*HEADER    TRANSFERASE                             29-AUG-03   1QVX              
*TITLE     SOLUTION STRUCTURE OF THE FAT DOMAIN OF FOCAL ADHESION                
*TITLE    2 KINASE                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FOCAL ADHESION KINASE 1;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FAT DOMAIN (RESIDUES 920-1053);                            
*COMPND   5 SYNONYM: FADK 1, PP125FAK;                                           
*COMPND   6 EC: 2.7.1.112;                                                       
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                                  
*SOURCE   3 ORGANISM_COMMON: CHICKEN;                                            
*SOURCE   4 GENE: FAK;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX                                      
*KEYWDS    FOCAL ADHESION KINASE, FAK, FOCAL ADHENSION TARGETING                 
*KEYWDS   2 DOMAIN, FAT, NMR, HELIX BUNDLE                                       
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    G.GAO, K.C.PRUTZMAN, M.L.KING, E.F.DEROSE, R.E.LONDON,                
*AUTHOR   2 M.D.SCHALLER, S.L.CAMPBELL                                           
*REVDAT   1   02-MAR-04 1QVX    0                                                

! ############### c13noe.0 folded +
assi (attr store1 < 1.718 and attr store1 > 1.618 )
     ((attr store1 < 6.955 and attr store1 > 6.895 ) and 
      (bondedto (attr store1 < 132.180109131  and attr store1 > 131.380109131 ) or 
       bondedto (attr store1 < 84.456  and attr store1 > 83.656 ) or 
       bondedto (attr store1 < 36.7318908686  and attr store1 > 35.9318908686 ))) 
6 0.1 0.1 peak 0 volume 7.48190 ppm1 6.925 ppm2 1.668
 
! ############### c13noe.1 folded +
assi (attr store1 < 6.578 and attr store1 > 6.478 )
     ((attr store1 < 6.963 and attr store1 > 6.903 ) and 
      (bondedto (attr store1 < 132.134109131  and attr store1 > 131.334109131 ) or 
       bondedto (attr store1 < 84.41  and attr store1 > 83.61 ) or 
       bondedto (attr store1 < 36.6858908686  and attr store1 > 35.8858908686 ))) 
6 0.1 0.1 peak 1 volume 35.20230 ppm1 6.933 ppm2 6.528
 
! ############### c13noe.2 folded +
assi (attr store1 < 3.351 and attr store1 > 3.251 )
     ((attr store1 < 6.963 and attr store1 > 6.903 ) and 
      (bondedto (attr store1 < 132.135109131  and attr store1 > 131.335109131 ) or 
       bondedto (attr store1 < 84.411  and attr store1 > 83.611 ) or 
       bondedto (attr store1 < 36.6868908686  and attr store1 > 35.8868908686 ))) 
6 0.1 0.1 peak 2 volume 8.01097 ppm1 6.933 ppm2 3.301
 
! ############### c13noe.3 folded +
assi (attr store1 < 4.449 and attr store1 > 4.349 )
     ((attr store1 < 6.961 and attr store1 > 6.901 ) and 
      (bondedto (attr store1 < 132.091109131  and attr store1 > 131.291109131 ) or 
       bondedto (attr store1 < 84.367  and attr store1 > 83.567 ) or 
       bondedto (attr store1 < 36.6428908686  and attr store1 > 35.8428908686 ))) 
6 0.1 0.1 peak 3 volume 11.96693 ppm1 6.931 ppm2 4.399
 
! ############### c13noe.4 folded +
assi (attr store1 < 2.728 and attr store1 > 2.628 )
     ((attr store1 < 6.959 and attr store1 > 6.899 ) and 
      (bondedto (attr store1 < 132.126109131  and attr store1 > 131.326109131 ) or 
       bondedto (attr store1 < 84.402  and attr store1 > 83.602 ) or 
       bondedto (attr store1 < 36.6778908686  and attr store1 > 35.8778908686 ))) 
6 0.1 0.1 peak 4 volume 9.45161 ppm1 6.929 ppm2 2.678
 
! ############### c13noe.5 folded +
assi (attr store1 < 1.452 and attr store1 > 1.352 )
     ((attr store1 < 6.96 and attr store1 > 6.9 ) and 
      (bondedto (attr store1 < 132.156109131  and attr store1 > 131.356109131 ) or 
       bondedto (attr store1 < 84.432  and attr store1 > 83.632 ) or 
       bondedto (attr store1 < 36.7078908686  and attr store1 > 35.9078908686 ))) 
6 0.1 0.1 peak 5 volume 6.58623 ppm1 6.930 ppm2 1.402
 
! ############### c13noe.6 folded +
assi (attr store1 < 4.152 and attr store1 > 4.052 )
     ((attr store1 < 6.954 and attr store1 > 6.894 ) and 
      (bondedto (attr store1 < 132.111109131  and attr store1 > 131.311109131 ) or 
       bondedto (attr store1 < 84.387  and attr store1 > 83.587 ) or 
       bondedto (attr store1 < 36.6628908686  and attr store1 > 35.8628908686 ))) 
6 0.1 0.1 peak 6 volume 6.64728 ppm1 6.924 ppm2 4.102
 
! ############### c13noe.7 folded +
assi (attr store1 < 0.802 and attr store1 > 0.702 )
     ((attr store1 < 6.961 and attr store1 > 6.901 ) and 
      (bondedto (attr store1 < 132.037109131  and attr store1 > 131.237109131 ) or 
       bondedto (attr store1 < 84.313  and attr store1 > 83.513 ) or 
       bondedto (attr store1 < 36.5888908686  and attr store1 > 35.7888908686 ))) 
6 0.1 0.1 peak 7 volume 7.39179 ppm1 6.931 ppm2 0.752
 
! ############### c13noe.8 folded +
assi (attr store1 < 6.896 and attr store1 > 6.796 )
     ((attr store1 < 6.954 and attr store1 > 6.894 ) and 
      (bondedto (attr store1 < 131.849109131  and attr store1 > 131.049109131 ) or 
       bondedto (attr store1 < 84.125  and attr store1 > 83.325 ) or 
       bondedto (attr store1 < 36.4008908686  and attr store1 > 35.6008908686 ))) 
6 0.1 0.1 peak 8 volume 14.02668 ppm1 6.924 ppm2 6.846
 
! ############### c13noe.9 folded +
assi (attr store1 < 6.975 and attr store1 > 6.875 )
     ((attr store1 < 6.883 and attr store1 > 6.823 ) and 
      (bondedto (attr store1 < 131.833109131  and attr store1 > 131.033109131 ) or 
       bondedto (attr store1 < 84.109  and attr store1 > 83.309 ) or 
       bondedto (attr store1 < 36.3848908686  and attr store1 > 35.5848908686 ))) 
6 0.1 0.1 peak 9 volume 13.42571 ppm1 6.853 ppm2 6.925
 
! ############### c13noe.10 folded +
assi (attr store1 < 2.099 and attr store1 > 1.999 )
     ((attr store1 < 6.877 and attr store1 > 6.817 ) and 
      (bondedto (attr store1 < 131.840109131  and attr store1 > 131.040109131 ) or 
       bondedto (attr store1 < 84.116  and attr store1 > 83.316 ) or 
       bondedto (attr store1 < 36.3918908686  and attr store1 > 35.5918908686 ))) 
6 0.1 0.1 peak 10 volume 6.42083 ppm1 6.847 ppm2 2.049
 
! ############### c13noe.11 folded +
assi (attr store1 < 4.742 and attr store1 > 4.642 )
     ((attr store1 < 6.877 and attr store1 > 6.817 ) and 
      (bondedto (attr store1 < 131.721109131  and attr store1 > 130.921109131 ) or 
       bondedto (attr store1 < 83.997  and attr store1 > 83.197 ) or 
       bondedto (attr store1 < 36.2728908686  and attr store1 > 35.4728908686 ))) 
6 0.1 0.1 peak 11 volume 14.03138 ppm1 6.847 ppm2 4.692
 
! ############### c13noe.12 folded +
assi (attr store1 < 2.454 and attr store1 > 2.354 )
     ((attr store1 < 6.877 and attr store1 > 6.817 ) and 
      (bondedto (attr store1 < 131.720109131  and attr store1 > 130.920109131 ) or 
       bondedto (attr store1 < 83.996  and attr store1 > 83.196 ) or 
       bondedto (attr store1 < 36.2718908686  and attr store1 > 35.4718908686 ))) 
6 0.1 0.1 peak 12 volume 6.38248 ppm1 6.847 ppm2 2.404
 
! ############### c13noe.13 folded +
assi (attr store1 < 6.789 and attr store1 > 6.689 )
     ((attr store1 < 6.878 and attr store1 > 6.818 ) and 
      (bondedto (attr store1 < 131.680109131  and attr store1 > 130.880109131 ) or 
       bondedto (attr store1 < 83.956  and attr store1 > 83.156 ) or 
       bondedto (attr store1 < 36.2318908686  and attr store1 > 35.4318908686 ))) 
6 0.1 0.1 peak 13 volume 34.46605 ppm1 6.848 ppm2 6.739
 
! ############### c13noe.14 folded +
assi (attr store1 < 3.299 and attr store1 > 3.199 )
     ((attr store1 < 6.877 and attr store1 > 6.817 ) and 
      (bondedto (attr store1 < 131.667109131  and attr store1 > 130.867109131 ) or 
       bondedto (attr store1 < 83.943  and attr store1 > 83.143 ) or 
       bondedto (attr store1 < 36.2188908686  and attr store1 > 35.4188908686 ))) 
6 0.1 0.1 peak 14 volume 7.72551 ppm1 6.847 ppm2 3.249
 
! ############### c13noe.15 folded +
assi (attr store1 < 3.014 and attr store1 > 2.914 )
     ((attr store1 < 6.877 and attr store1 > 6.817 ) and 
      (bondedto (attr store1 < 131.694109131  and attr store1 > 130.894109131 ) or 
       bondedto (attr store1 < 83.97  and attr store1 > 83.17 ) or 
       bondedto (attr store1 < 36.2458908686  and attr store1 > 35.4458908686 ))) 
6 0.1 0.1 peak 15 volume 8.58353 ppm1 6.847 ppm2 2.964
 
! ############### c13noe.16 folded +
assi (attr store1 < 2.619 and attr store1 > 2.519 )
     ((attr store1 < 6.877 and attr store1 > 6.817 ) and 
      (bondedto (attr store1 < 131.665109131  and attr store1 > 130.865109131 ) or 
       bondedto (attr store1 < 83.941  and attr store1 > 83.141 ) or 
       bondedto (attr store1 < 36.2168908686  and attr store1 > 35.4168908686 ))) 
6 0.1 0.1 peak 16 volume 6.03622 ppm1 6.847 ppm2 2.569
 
! ############### c13noe.17 folded +
assi (attr store1 < 1.643 and attr store1 > 1.543 )
     ((attr store1 < 6.876 and attr store1 > 6.816 ) and 
      (bondedto (attr store1 < 131.657109131  and attr store1 > 130.857109131 ) or 
       bondedto (attr store1 < 83.933  and attr store1 > 83.133 ) or 
       bondedto (attr store1 < 36.2088908686  and attr store1 > 35.4088908686 ))) 
6 0.1 0.1 peak 17 volume 12.52083 ppm1 6.846 ppm2 1.593
 
! ############### c13noe.18 folded +
assi (attr store1 < 2.357 and attr store1 > 2.257 )
     ((attr store1 < 6.876 and attr store1 > 6.816 ) and 
      (bondedto (attr store1 < 131.579109131  and attr store1 > 130.779109131 ) or 
       bondedto (attr store1 < 83.855  and attr store1 > 83.055 ) or 
       bondedto (attr store1 < 36.1308908686  and attr store1 > 35.3308908686 ))) 
6 0.1 0.1 peak 18 volume 6.01838 ppm1 6.846 ppm2 2.307
 
! ############### c13noe.19 folded +
assi (attr store1 < 4.737 and attr store1 > 4.637 )
     ((attr store1 < 7.012 and attr store1 > 6.952 ) and 
      (bondedto (attr store1 < 119.495109131  and attr store1 > 118.695109131 ) or 
       bondedto (attr store1 < 71.771  and attr store1 > 70.971 ) or 
       bondedto (attr store1 < 24.0468908686  and attr store1 > 23.2468908686 ))) 
6 0.1 0.1 peak 19 volume 15.97177 ppm1 6.982 ppm2 4.687
 
! ############### c13noe.20 folded +
assi (attr store1 < 1.773 and attr store1 > 1.673 )
     ((attr store1 < 7.009 and attr store1 > 6.949 ) and 
      (bondedto (attr store1 < 119.539109131  and attr store1 > 118.739109131 ) or 
       bondedto (attr store1 < 71.815  and attr store1 > 71.015 ) or 
       bondedto (attr store1 < 24.0908908686  and attr store1 > 23.2908908686 ))) 
6 0.1 0.1 peak 20 volume 10.02609 ppm1 6.979 ppm2 1.723
 
! ############### c13noe.21 folded +
assi (attr store1 < 4.115 and attr store1 > 4.015 )
     ((attr store1 < 7.01 and attr store1 > 6.95 ) and 
      (bondedto (attr store1 < 119.449109131  and attr store1 > 118.649109131 ) or 
       bondedto (attr store1 < 71.725  and attr store1 > 70.925 ) or 
       bondedto (attr store1 < 24.0008908686  and attr store1 > 23.2008908686 ))) 
6 0.1 0.1 peak 21 volume 9.60153 ppm1 6.980 ppm2 4.065
 
! ############### c13noe.22 folded +
assi (attr store1 < 3.529 and attr store1 > 3.429 )
     ((attr store1 < 7.008 and attr store1 > 6.948 ) and 
      (bondedto (attr store1 < 119.450109131  and attr store1 > 118.650109131 ) or 
       bondedto (attr store1 < 71.726  and attr store1 > 70.926 ) or 
       bondedto (attr store1 < 24.0018908686  and attr store1 > 23.2018908686 ))) 
6 0.1 0.1 peak 22 volume 7.21024 ppm1 6.978 ppm2 3.479
 
! ############### c13noe.23 folded +
assi (attr store1 < 0.921 and attr store1 > 0.821 )
     ((attr store1 < 7.01 and attr store1 > 6.95 ) and 
      (bondedto (attr store1 < 119.465109131  and attr store1 > 118.665109131 ) or 
       bondedto (attr store1 < 71.741  and attr store1 > 70.941 ) or 
       bondedto (attr store1 < 24.0168908686  and attr store1 > 23.2168908686 ))) 
6 0.1 0.1 peak 23 volume 28.30027 ppm1 6.980 ppm2 0.871
 
! ############### c13noe.24 folded +
assi (attr store1 < 4.735 and attr store1 > 4.635 )
     ((attr store1 < 7.009 and attr store1 > 6.949 ) and 
      (bondedto (attr store1 < 119.257109131  and attr store1 > 118.457109131 ) or 
       bondedto (attr store1 < 71.533  and attr store1 > 70.733 ) or 
       bondedto (attr store1 < 23.8088908686  and attr store1 > 23.0088908686 ))) 
6 0.1 0.1 peak 24 volume 20.13892 ppm1 6.979 ppm2 4.685
 
! ############### c13noe.25 folded +
assi (attr store1 < 3.547 and attr store1 > 3.447 )
     ((attr store1 < 7.008 and attr store1 > 6.948 ) and 
      (bondedto (attr store1 < 119.296109131  and attr store1 > 118.496109131 ) or 
       bondedto (attr store1 < 71.572  and attr store1 > 70.772 ) or 
       bondedto (attr store1 < 23.8478908686  and attr store1 > 23.0478908686 ))) 
6 0.1 0.1 peak 25 volume 6.64155 ppm1 6.978 ppm2 3.497
 
! ############### c13noe.26 folded +
assi (attr store1 < 0.918 and attr store1 > 0.818 )
     ((attr store1 < 7.007 and attr store1 > 6.947 ) and 
      (bondedto (attr store1 < 119.228109131  and attr store1 > 118.428109131 ) or 
       bondedto (attr store1 < 71.504  and attr store1 > 70.704 ) or 
       bondedto (attr store1 < 23.7798908686  and attr store1 > 22.9798908686 ))) 
6 0.1 0.1 peak 26 volume 29.21157 ppm1 6.977 ppm2 0.868
 
! ############### c13noe.27 folded +
assi (attr store1 < 7.153 and attr store1 > 7.053 )
     ((attr store1 < 6.916 and attr store1 > 6.856 ) and 
      (bondedto (attr store1 < 119.245109131  and attr store1 > 118.445109131 ) or 
       bondedto (attr store1 < 71.521  and attr store1 > 70.721 ) or 
       bondedto (attr store1 < 23.7968908686  and attr store1 > 22.9968908686 ))) 
6 0.1 0.1 peak 27 volume 78.45338 ppm1 6.886 ppm2 7.103
 
! ############### c13noe.28 folded +
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 6.916 and attr store1 > 6.856 ) and 
      (bondedto (attr store1 < 119.212109131  and attr store1 > 118.412109131 ) or 
       bondedto (attr store1 < 71.488  and attr store1 > 70.688 ) or 
       bondedto (attr store1 < 23.7638908686  and attr store1 > 22.9638908686 ))) 
6 0.1 0.1 peak 28 volume 24.36992 ppm1 6.886 ppm2 4.686
 
! ############### c13noe.29 folded +
assi (attr store1 < 1.708 and attr store1 > 1.608 )
     ((attr store1 < 6.918 and attr store1 > 6.858 ) and 
      (bondedto (attr store1 < 119.254109131  and attr store1 > 118.454109131 ) or 
       bondedto (attr store1 < 71.53  and attr store1 > 70.73 ) or 
       bondedto (attr store1 < 23.8058908686  and attr store1 > 23.0058908686 ))) 
6 0.1 0.1 peak 29 volume 13.30799 ppm1 6.888 ppm2 1.658
 
! ############### c13noe.30 folded +
assi (attr store1 < 1.114 and attr store1 > 1.014 )
     ((attr store1 < 6.917 and attr store1 > 6.857 ) and 
      (bondedto (attr store1 < 119.245109131  and attr store1 > 118.445109131 ) or 
       bondedto (attr store1 < 71.521  and attr store1 > 70.721 ) or 
       bondedto (attr store1 < 23.7968908686  and attr store1 > 22.9968908686 ))) 
6 0.1 0.1 peak 30 volume 12.71131 ppm1 6.887 ppm2 1.064
 
! ############### c13noe.31 folded +
assi (attr store1 < 0.95 and attr store1 > 0.85 )
     ((attr store1 < 6.916 and attr store1 > 6.856 ) and 
      (bondedto (attr store1 < 119.226109131  and attr store1 > 118.426109131 ) or 
       bondedto (attr store1 < 71.502  and attr store1 > 70.702 ) or 
       bondedto (attr store1 < 23.7778908686  and attr store1 > 22.9778908686 ))) 
6 0.1 0.1 peak 31 volume 28.43788 ppm1 6.886 ppm2 0.900
 
! ############### c13noe.32 folded +
assi (attr store1 < 3.522 and attr store1 > 3.422 )
     ((attr store1 < 7.013 and attr store1 > 6.953 ) and 
      (bondedto (attr store1 < 119.194109131  and attr store1 > 118.394109131 ) or 
       bondedto (attr store1 < 71.47  and attr store1 > 70.67 ) or 
       bondedto (attr store1 < 23.7458908686  and attr store1 > 22.9458908686 ))) 
6 0.1 0.1 peak 32 volume 6.82300 ppm1 6.983 ppm2 3.472
 
! ############### c13noe.33 folded +
assi (attr store1 < 4.125 and attr store1 > 4.025 )
     ((attr store1 < 7.011 and attr store1 > 6.951 ) and 
      (bondedto (attr store1 < 119.148109131  and attr store1 > 118.348109131 ) or 
       bondedto (attr store1 < 71.424  and attr store1 > 70.624 ) or 
       bondedto (attr store1 < 23.6998908686  and attr store1 > 22.8998908686 ))) 
6 0.1 0.1 peak 33 volume 9.29355 ppm1 6.981 ppm2 4.075
 
! ############### c13noe.34 folded +
assi (attr store1 < 1.771 and attr store1 > 1.671 )
     ((attr store1 < 7.008 and attr store1 > 6.948 ) and 
      (bondedto (attr store1 < 119.172109131  and attr store1 > 118.372109131 ) or 
       bondedto (attr store1 < 71.448  and attr store1 > 70.648 ) or 
       bondedto (attr store1 < 23.7238908686  and attr store1 > 22.9238908686 ))) 
6 0.1 0.1 peak 34 volume 10.87039 ppm1 6.978 ppm2 1.721
 
! ############### c13noe.35 folded +
assi (attr store1 < 6.981 and attr store1 > 6.881 )
     ((attr store1 < 6.562 and attr store1 > 6.502 ) and 
      (bondedto (attr store1 < 119.181109131  and attr store1 > 118.381109131 ) or 
       bondedto (attr store1 < 71.457  and attr store1 > 70.657 ) or 
       bondedto (attr store1 < 23.7328908686  and attr store1 > 22.9328908686 ))) 
6 0.1 0.1 peak 35 volume 53.49059 ppm1 6.532 ppm2 6.931
 
! ############### c13noe.36 folded +
assi (attr store1 < 1.704 and attr store1 > 1.604 )
     ((attr store1 < 6.562 and attr store1 > 6.502 ) and 
      (bondedto (attr store1 < 119.153109131  and attr store1 > 118.353109131 ) or 
       bondedto (attr store1 < 71.429  and attr store1 > 70.629 ) or 
       bondedto (attr store1 < 23.7048908686  and attr store1 > 22.9048908686 ))) 
6 0.1 0.1 peak 36 volume 8.86477 ppm1 6.532 ppm2 1.654
 
! ############### c13noe.37 folded +
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 6.559 and attr store1 > 6.499 ) and 
      (bondedto (attr store1 < 119.180109131  and attr store1 > 118.380109131 ) or 
       bondedto (attr store1 < 71.456  and attr store1 > 70.656 ) or 
       bondedto (attr store1 < 23.7318908686  and attr store1 > 22.9318908686 ))) 
6 0.1 0.1 peak 37 volume 17.73846 ppm1 6.529 ppm2 4.686
 
! ############### c13noe.38 folded +
assi (attr store1 < 1.459 and attr store1 > 1.359 )
     ((attr store1 < 6.559 and attr store1 > 6.499 ) and 
      (bondedto (attr store1 < 119.180109131  and attr store1 > 118.380109131 ) or 
       bondedto (attr store1 < 71.456  and attr store1 > 70.656 ) or 
       bondedto (attr store1 < 23.7318908686  and attr store1 > 22.9318908686 ))) 
6 0.1 0.1 peak 38 volume 8.35681 ppm1 6.529 ppm2 1.409
 
! ############### c13noe.39 folded +
assi (attr store1 < 0.784 and attr store1 > 0.684 )
     ((attr store1 < 6.56 and attr store1 > 6.5 ) and 
      (bondedto (attr store1 < 119.160109131  and attr store1 > 118.360109131 ) or 
       bondedto (attr store1 < 71.436  and attr store1 > 70.636 ) or 
       bondedto (attr store1 < 23.7118908686  and attr store1 > 22.9118908686 ))) 
6 0.1 0.1 peak 39 volume 17.81477 ppm1 6.530 ppm2 0.734
 
! ############### c13noe.40 folded +
assi (attr store1 < 0.713 and attr store1 > 0.613 )
     ((attr store1 < 6.561 and attr store1 > 6.501 ) and 
      (bondedto (attr store1 < 119.150109131  and attr store1 > 118.350109131 ) or 
       bondedto (attr store1 < 71.426  and attr store1 > 70.626 ) or 
       bondedto (attr store1 < 23.7018908686  and attr store1 > 22.9018908686 ))) 
6 0.1 0.1 peak 40 volume 10.65783 ppm1 6.531 ppm2 0.663
 
! ############### c13noe.41 folded +
assi (attr store1 < 2.101 and attr store1 > 2.001 )
     ((attr store1 < 6.767 and attr store1 > 6.707 ) and 
      (bondedto (attr store1 < 118.468109131  and attr store1 > 117.668109131 ) or 
       bondedto (attr store1 < 70.744  and attr store1 > 69.944 ) or 
       bondedto (attr store1 < 23.0198908686  and attr store1 > 22.2198908686 ))) 
6 0.1 0.1 peak 41 volume 7.71315 ppm1 6.737 ppm2 2.051
 
! ############### c13noe.42 folded +
assi (attr store1 < 1.184 and attr store1 > 1.084 )
     ((attr store1 < 6.767 and attr store1 > 6.707 ) and 
      (bondedto (attr store1 < 118.470109131  and attr store1 > 117.670109131 ) or 
       bondedto (attr store1 < 70.746  and attr store1 > 69.946 ) or 
       bondedto (attr store1 < 23.0218908686  and attr store1 > 22.2218908686 ))) 
6 0.1 0.1 peak 42 volume 6.59390 ppm1 6.737 ppm2 1.134
 
! ############### c13noe.43 folded +
assi (attr store1 < 2.191 and attr store1 > 2.091 )
     ((attr store1 < 6.763 and attr store1 > 6.703 ) and 
      (bondedto (attr store1 < 118.491109131  and attr store1 > 117.691109131 ) or 
       bondedto (attr store1 < 70.767  and attr store1 > 69.967 ) or 
       bondedto (attr store1 < 23.0428908686  and attr store1 > 22.2428908686 ))) 
6 0.1 0.1 peak 43 volume 7.57457 ppm1 6.733 ppm2 2.141
 
! ############### c13noe.44 folded +
assi (attr store1 < 7.153 and attr store1 > 7.053 )
     ((attr store1 < 6.919 and attr store1 > 6.859 ) and 
      (bondedto (attr store1 < 118.450109131  and attr store1 > 117.650109131 ) or 
       bondedto (attr store1 < 70.726  and attr store1 > 69.926 ) or 
       bondedto (attr store1 < 23.0018908686  and attr store1 > 22.2018908686 ))) 
6 0.1 0.1 peak 44 volume 12.26931 ppm1 6.889 ppm2 7.103
 
! ############### c13noe.45 folded +
assi (attr store1 < 6.591 and attr store1 > 6.491 )
     ((attr store1 < 6.797 and attr store1 > 6.737 ) and 
      (bondedto (attr store1 < 118.380109131  and attr store1 > 117.580109131 ) or 
       bondedto (attr store1 < 70.656  and attr store1 > 69.856 ) or 
       bondedto (attr store1 < 22.9318908686  and attr store1 > 22.1318908686 ))) 
6 0.1 0.1 peak 45 volume 9.21992 ppm1 6.767 ppm2 6.541
 
! ############### c13noe.46 folded +
assi (attr store1 < 0.841 and attr store1 > 0.741 )
     ((attr store1 < 6.796 and attr store1 > 6.736 ) and 
      (bondedto (attr store1 < 118.374109131  and attr store1 > 117.574109131 ) or 
       bondedto (attr store1 < 70.65  and attr store1 > 69.85 ) or 
       bondedto (attr store1 < 22.9258908686  and attr store1 > 22.1258908686 ))) 
6 0.1 0.1 peak 46 volume 37.44238 ppm1 6.766 ppm2 0.791
 
! ############### c13noe.47 folded +
assi (attr store1 < 4.029 and attr store1 > 3.929 )
     ((attr store1 < 6.79 and attr store1 > 6.73 ) and 
      (bondedto (attr store1 < 118.418109131  and attr store1 > 117.618109131 ) or 
       bondedto (attr store1 < 70.694  and attr store1 > 69.894 ) or 
       bondedto (attr store1 < 22.9698908686  and attr store1 > 22.1698908686 ))) 
6 0.1 0.1 peak 47 volume 7.44114 ppm1 6.760 ppm2 3.979
 
! ############### c13noe.48 folded +
assi (attr store1 < 2.024 and attr store1 > 1.924 )
     ((attr store1 < 6.785 and attr store1 > 6.725 ) and 
      (bondedto (attr store1 < 118.454109131  and attr store1 > 117.654109131 ) or 
       bondedto (attr store1 < 70.73  and attr store1 > 69.93 ) or 
       bondedto (attr store1 < 23.0058908686  and attr store1 > 22.2058908686 ))) 
6 0.1 0.1 peak 48 volume 6.44462 ppm1 6.755 ppm2 1.974
 
! ############### c13noe.49 folded +
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 6.771 and attr store1 > 6.711 ) and 
      (bondedto (attr store1 < 118.395109131  and attr store1 > 117.595109131 ) or 
       bondedto (attr store1 < 70.671  and attr store1 > 69.871 ) or 
       bondedto (attr store1 < 22.9468908686  and attr store1 > 22.1468908686 ))) 
6 0.1 0.1 peak 49 volume 35.78490 ppm1 6.741 ppm2 4.686
 
! ############### c13noe.50 folded +
assi (attr store1 < 6.892 and attr store1 > 6.792 )
     ((attr store1 < 6.765 and attr store1 > 6.705 ) and 
      (bondedto (attr store1 < 118.448109131  and attr store1 > 117.648109131 ) or 
       bondedto (attr store1 < 70.724  and attr store1 > 69.924 ) or 
       bondedto (attr store1 < 22.9998908686  and attr store1 > 22.1998908686 ))) 
6 0.1 0.1 peak 50 volume 69.09818 ppm1 6.735 ppm2 6.842
 
! ############### c13noe.51 folded +
assi (attr store1 < 3.054 and attr store1 > 2.954 )
     ((attr store1 < 6.766 and attr store1 > 6.706 ) and 
      (bondedto (attr store1 < 118.406109131  and attr store1 > 117.606109131 ) or 
       bondedto (attr store1 < 70.682  and attr store1 > 69.882 ) or 
       bondedto (attr store1 < 22.9578908686  and attr store1 > 22.1578908686 ))) 
6 0.1 0.1 peak 51 volume 8.54408 ppm1 6.736 ppm2 3.004
 
! ############### c13noe.52 folded +
assi (attr store1 < 2.459 and attr store1 > 2.359 )
     ((attr store1 < 6.767 and attr store1 > 6.707 ) and 
      (bondedto (attr store1 < 118.442109131  and attr store1 > 117.642109131 ) or 
       bondedto (attr store1 < 70.718  and attr store1 > 69.918 ) or 
       bondedto (attr store1 < 22.9938908686  and attr store1 > 22.1938908686 ))) 
6 0.1 0.1 peak 52 volume 6.54450 ppm1 6.737 ppm2 2.409
 
! ############### c13noe.53 folded +
assi (attr store1 < 2.363 and attr store1 > 2.263 )
     ((attr store1 < 6.768 and attr store1 > 6.708 ) and 
      (bondedto (attr store1 < 118.435109131  and attr store1 > 117.635109131 ) or 
       bondedto (attr store1 < 70.711  and attr store1 > 69.911 ) or 
       bondedto (attr store1 < 22.9868908686  and attr store1 > 22.1868908686 ))) 
6 0.1 0.1 peak 53 volume 10.06010 ppm1 6.738 ppm2 2.313
 
! ############### c13noe.54 folded +
assi (attr store1 < 2.02 and attr store1 > 1.92 )
     ((attr store1 < 6.768 and attr store1 > 6.708 ) and 
      (bondedto (attr store1 < 118.455109131  and attr store1 > 117.655109131 ) or 
       bondedto (attr store1 < 70.731  and attr store1 > 69.931 ) or 
       bondedto (attr store1 < 23.0068908686  and attr store1 > 22.2068908686 ))) 
6 0.1 0.1 peak 54 volume 7.28737 ppm1 6.738 ppm2 1.970
 
! ############### c13noe.55 folded +
assi (attr store1 < 1.872 and attr store1 > 1.772 )
     ((attr store1 < 6.769 and attr store1 > 6.709 ) and 
      (bondedto (attr store1 < 118.412109131  and attr store1 > 117.612109131 ) or 
       bondedto (attr store1 < 70.688  and attr store1 > 69.888 ) or 
       bondedto (attr store1 < 22.9638908686  and attr store1 > 22.1638908686 ))) 
6 0.1 0.1 peak 55 volume 7.20907 ppm1 6.739 ppm2 1.822
 
! ############### c13noe.56 folded +
assi (attr store1 < 1.704 and attr store1 > 1.604 )
     ((attr store1 < 6.768 and attr store1 > 6.708 ) and 
      (bondedto (attr store1 < 118.428109131  and attr store1 > 117.628109131 ) or 
       bondedto (attr store1 < 70.704  and attr store1 > 69.904 ) or 
       bondedto (attr store1 < 22.9798908686  and attr store1 > 22.1798908686 ))) 
6 0.1 0.1 peak 56 volume 17.65514 ppm1 6.738 ppm2 1.654
 
! ############### c13noe.57 folded +
assi (attr store1 < 1.649 and attr store1 > 1.549 )
     ((attr store1 < 6.767 and attr store1 > 6.707 ) and 
      (bondedto (attr store1 < 118.442109131  and attr store1 > 117.642109131 ) or 
       bondedto (attr store1 < 70.718  and attr store1 > 69.918 ) or 
       bondedto (attr store1 < 22.9938908686  and attr store1 > 22.1938908686 ))) 
6 0.1 0.1 peak 57 volume 20.35314 ppm1 6.737 ppm2 1.599
 
! ############### c13noe.58 folded +
assi (attr store1 < 6.977 and attr store1 > 6.877 )
     ((attr store1 < 6.565 and attr store1 > 6.505 ) and 
      (bondedto (attr store1 < 118.411109131  and attr store1 > 117.611109131 ) or 
       bondedto (attr store1 < 70.687  and attr store1 > 69.887 ) or 
       bondedto (attr store1 < 22.9628908686  and attr store1 > 22.1628908686 ))) 
6 0.1 0.1 peak 58 volume 7.19287 ppm1 6.535 ppm2 6.927
 
! ############### c13noe.59 folded +
assi (attr store1 < 6.815 and attr store1 > 6.715 )
     ((attr store1 < 7.389 and attr store1 > 7.329 ) and 
      (bondedto (attr store1 < 118.361109131  and attr store1 > 117.561109131 ) or 
       bondedto (attr store1 < 70.637  and attr store1 > 69.837 ) or 
       bondedto (attr store1 < 22.9128908686  and attr store1 > 22.1128908686 ))) 
6 0.1 0.1 peak 59 volume 8.90814 ppm1 7.359 ppm2 6.765
 
! ############### c13noe.60 folded +
assi (attr store1 < 0.767 and attr store1 > 0.667 )
     ((attr store1 < 6.799 and attr store1 > 6.739 ) and 
      (bondedto (attr store1 < 118.320109131  and attr store1 > 117.520109131 ) or 
       bondedto (attr store1 < 70.596  and attr store1 > 69.796 ) or 
       bondedto (attr store1 < 22.8718908686  and attr store1 > 22.0718908686 ))) 
6 0.1 0.1 peak 60 volume 15.86158 ppm1 6.769 ppm2 0.717
 
! ############### c13noe.61 folded +
assi (attr store1 < 7.408 and attr store1 > 7.308 )
     ((attr store1 < 6.796 and attr store1 > 6.736 ) and 
      (bondedto (attr store1 < 118.343109131  and attr store1 > 117.543109131 ) or 
       bondedto (attr store1 < 70.619  and attr store1 > 69.819 ) or 
       bondedto (attr store1 < 22.8948908686  and attr store1 > 22.0948908686 ))) 
6 0.1 0.1 peak 61 volume 104.77175 ppm1 6.766 ppm2 7.358
 
! ############### c13noe.62 folded +
assi (attr store1 < 1.924 and attr store1 > 1.824 )
     ((attr store1 < 6.795 and attr store1 > 6.735 ) and 
      (bondedto (attr store1 < 118.322109131  and attr store1 > 117.522109131 ) or 
       bondedto (attr store1 < 70.598  and attr store1 > 69.798 ) or 
       bondedto (attr store1 < 22.8738908686  and attr store1 > 22.0738908686 ))) 
6 0.1 0.1 peak 62 volume 11.34826 ppm1 6.765 ppm2 1.874
 
! ############### c13noe.63 folded +
assi (attr store1 < 1.442 and attr store1 > 1.342 )
     ((attr store1 < 6.796 and attr store1 > 6.736 ) and 
      (bondedto (attr store1 < 118.296109131  and attr store1 > 117.496109131 ) or 
       bondedto (attr store1 < 70.572  and attr store1 > 69.772 ) or 
       bondedto (attr store1 < 22.8478908686  and attr store1 > 22.0478908686 ))) 
6 0.1 0.1 peak 63 volume 7.20811 ppm1 6.766 ppm2 1.392
 
! ############### c13noe.64 folded +
assi (attr store1 < 0.926 and attr store1 > 0.826 )
     ((attr store1 < 6.795 and attr store1 > 6.735 ) and 
      (bondedto (attr store1 < 118.349109131  and attr store1 > 117.549109131 ) or 
       bondedto (attr store1 < 70.625  and attr store1 > 69.825 ) or 
       bondedto (attr store1 < 22.9008908686  and attr store1 > 22.1008908686 ))) 
6 0.1 0.1 peak 64 volume 7.94728 ppm1 6.765 ppm2 0.876
 
! ############### c13noe.65 folded +
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 6.79 and attr store1 > 6.73 ) and 
      (bondedto (attr store1 < 118.341109131  and attr store1 > 117.541109131 ) or 
       bondedto (attr store1 < 70.617  and attr store1 > 69.817 ) or 
       bondedto (attr store1 < 22.8928908686  and attr store1 > 22.0928908686 ))) 
6 0.1 0.1 peak 65 volume 36.71595 ppm1 6.760 ppm2 4.686
 
! ############### c13noe.66 folded +
assi (attr store1 < 4.017 and attr store1 > 3.917 )
     ((attr store1 < 6.768 and attr store1 > 6.708 ) and 
      (bondedto (attr store1 < 118.346109131  and attr store1 > 117.546109131 ) or 
       bondedto (attr store1 < 70.622  and attr store1 > 69.822 ) or 
       bondedto (attr store1 < 22.8978908686  and attr store1 > 22.0978908686 ))) 
6 0.1 0.1 peak 66 volume 6.88829 ppm1 6.738 ppm2 3.967
 
! ############### c13noe.67 folded +
assi (attr store1 < 0.838 and attr store1 > 0.738 )
     ((attr store1 < 6.777 and attr store1 > 6.717 ) and 
      (bondedto (attr store1 < 116.805109131  and attr store1 > 116.005109131 ) or 
       bondedto (attr store1 < 69.081  and attr store1 > 68.281 ) or 
       bondedto (attr store1 < 21.3568908686  and attr store1 > 20.5568908686 ))) 
6 0.1 0.1 peak 67 volume 9.00622 ppm1 6.747 ppm2 0.788
 
! ############### c13noe.68 folded +
assi (attr store1 < 0.54 and attr store1 > 0.44 )
     ((attr store1 < 6.777 and attr store1 > 6.717 ) and 
      (bondedto (attr store1 < 116.800109131  and attr store1 > 116.000109131 ) or 
       bondedto (attr store1 < 69.076  and attr store1 > 68.276 ) or 
       bondedto (attr store1 < 21.3518908686  and attr store1 > 20.5518908686 ))) 
6 0.1 0.1 peak 68 volume 6.37860 ppm1 6.747 ppm2 0.490
 
! ############### c13noe.69 folded +
assi (attr store1 < 4.284 and attr store1 > 4.184 )
     ((attr store1 < 6.774 and attr store1 > 6.714 ) and 
      (bondedto (attr store1 < 116.798109131  and attr store1 > 115.998109131 ) or 
       bondedto (attr store1 < 69.074  and attr store1 > 68.274 ) or 
       bondedto (attr store1 < 21.3498908686  and attr store1 > 20.5498908686 ))) 
6 0.1 0.1 peak 69 volume 10.57782 ppm1 6.744 ppm2 4.234
 
! ############### c13noe.70 folded +
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 6.777 and attr store1 > 6.717 ) and 
      (bondedto (attr store1 < 116.639109131  and attr store1 > 115.839109131 ) or 
       bondedto (attr store1 < 68.915  and attr store1 > 68.115 ) or 
       bondedto (attr store1 < 21.1908908686  and attr store1 > 20.3908908686 ))) 
6 0.1 0.1 peak 70 volume 19.78913 ppm1 6.747 ppm2 4.688
 
! ############### c13noe.71 folded +
assi (attr store1 < 0.841 and attr store1 > 0.741 )
     ((attr store1 < 6.774 and attr store1 > 6.714 ) and 
      (bondedto (attr store1 < 116.479109131  and attr store1 > 115.679109131 ) or 
       bondedto (attr store1 < 68.755  and attr store1 > 67.955 ) or 
       bondedto (attr store1 < 21.0308908686  and attr store1 > 20.2308908686 ))) 
6 0.1 0.1 peak 71 volume 8.23172 ppm1 6.744 ppm2 0.791
 
! ############### c13noe.72 folded -
assi (attr store1 < 6.817 and attr store1 > 6.717 )
     ((attr store1 < 7.388 and attr store1 > 7.328 ) and 
      (bondedto (attr store1 < 86.1580545657  and attr store1 > 85.3580545657 ) or 
       bondedto (attr store1 < 133.882163697  and attr store1 > 133.082163697) or 
       bondedto (attr store1 < 38.4339454343  and attr store1 > 37.6339454343 ))) 
6 0.1 0.1 peak 72 volume 64.53796 ppm1 7.358 ppm2 6.767
 
! ############### c13noe.73 folded -
assi (attr store1 < 4.727 and attr store1 > 4.627 )
     ((attr store1 < 7.39 and attr store1 > 7.33 ) and 
      (bondedto (attr store1 < 86.1840545657  and attr store1 > 85.3840545657 ) or 
       bondedto (attr store1 < 133.908163697  and attr store1 > 133.108163697) or 
       bondedto (attr store1 < 38.4599454343  and attr store1 > 37.6599454343 ))) 
6 0.1 0.1 peak 73 volume 14.94745 ppm1 7.360 ppm2 4.677
 
! ############### c13noe.74 folded -
assi (attr store1 < 3.431 and attr store1 > 3.331 )
     ((attr store1 < 7.387 and attr store1 > 7.327 ) and 
      (bondedto (attr store1 < 86.1900545657  and attr store1 > 85.3900545657 ) or 
       bondedto (attr store1 < 133.914163697  and attr store1 > 133.114163697) or 
       bondedto (attr store1 < 38.4659454343  and attr store1 > 37.6659454343 ))) 
6 0.1 0.1 peak 74 volume 8.40071 ppm1 7.357 ppm2 3.381
 
! ############### c13noe.75 folded -
assi (attr store1 < 1.934 and attr store1 > 1.834 )
     ((attr store1 < 7.39 and attr store1 > 7.33 ) and 
      (bondedto (attr store1 < 86.1380545657  and attr store1 > 85.3380545657 ) or 
       bondedto (attr store1 < 133.862163697  and attr store1 > 133.062163697) or 
       bondedto (attr store1 < 38.4139454343  and attr store1 > 37.6139454343 ))) 
6 0.1 0.1 peak 75 volume 8.26803 ppm1 7.360 ppm2 1.884
 
! ############### c13noe.76 folded -
assi (attr store1 < 1.439 and attr store1 > 1.339 )
     ((attr store1 < 7.389 and attr store1 > 7.329 ) and 
      (bondedto (attr store1 < 86.1240545657  and attr store1 > 85.3240545657 ) or 
       bondedto (attr store1 < 133.848163697  and attr store1 > 133.048163697) or 
       bondedto (attr store1 < 38.3999454343  and attr store1 > 37.5999454343 ))) 
6 0.1 0.1 peak 76 volume 11.55976 ppm1 7.359 ppm2 1.389
 
! ############### c13noe.77 folded -
assi (attr store1 < 0.842 and attr store1 > 0.742 )
     ((attr store1 < 7.39 and attr store1 > 7.33 ) and 
      (bondedto (attr store1 < 86.1790545657  and attr store1 > 85.3790545657 ) or 
       bondedto (attr store1 < 133.903163697  and attr store1 > 133.103163697) or 
       bondedto (attr store1 < 38.4549454343  and attr store1 > 37.6549454343 ))) 
6 0.1 0.1 peak 77 volume 10.5817 ppm1 7.360 ppm2 0.792
 
! ############### c13noe.78 folded -
assi (attr store1 < 0.759 and attr store1 > 0.659 )
     ((attr store1 < 7.386 and attr store1 > 7.326 ) and 
      (bondedto (attr store1 < 86.1400545657  and attr store1 > 85.3400545657 ) or 
       bondedto (attr store1 < 133.864163697  and attr store1 > 133.064163697) or 
       bondedto (attr store1 < 38.4159454343  and attr store1 > 37.6159454343 ))) 
6 0.1 0.1 peak 78 volume 8.30274 ppm1 7.356 ppm2 0.709
 
! ############### c13noe.79 folded -
assi (attr store1 < 4.048 and attr store1 > 3.948 )
     ((attr store1 < 7.384 and attr store1 > 7.324 ) and 
      (bondedto (attr store1 < 86.1490545657  and attr store1 > 85.3490545657 ) or 
       bondedto (attr store1 < 133.873163697  and attr store1 > 133.073163697) or 
       bondedto (attr store1 < 38.4249454343  and attr store1 > 37.6249454343 ))) 
6 0.1 0.1 peak 79 volume 6.66633 ppm1 7.354 ppm2 3.998
 
! ############### c13noe.80 folded -
assi (attr store1 < 2.745 and attr store1 > 2.645 )
     ((attr store1 < 7.387 and attr store1 > 7.327 ) and 
      (bondedto (attr store1 < 86.1090545657  and attr store1 > 85.3090545657 ) or 
       bondedto (attr store1 < 133.833163697  and attr store1 > 133.033163697) or 
       bondedto (attr store1 < 38.3849454343  and attr store1 > 37.5849454343 ))) 
6 0.1 0.1 peak 80 volume 9.28281 ppm1 7.357 ppm2 2.695
 
! ############### c13noe.81 folded -
assi (attr store1 < 6.937 and attr store1 > 6.837 )
     ((attr store1 < 7.134 and attr store1 > 7.074 ) and 
      (bondedto (attr store1 < 85.4510545657  and attr store1 > 84.6510545657 ) or 
       bondedto (attr store1 < 133.175163697  and attr store1 > 132.375163697) or 
       bondedto (attr store1 < 37.7269454343  and attr store1 > 36.9269454343 ))) 
6 0.1 0.1 peak 81 volume 51.10374 ppm1 7.104 ppm2 6.887
 
! ############### c13noe.82 folded -
assi (attr store1 < 4.74 and attr store1 > 4.64 )
     ((attr store1 < 7.133 and attr store1 > 7.073 ) and 
      (bondedto (attr store1 < 85.3790545657  and attr store1 > 84.5790545657 ) or 
       bondedto (attr store1 < 133.103163697  and attr store1 > 132.303163697) or 
       bondedto (attr store1 < 37.6549454343  and attr store1 > 36.8549454343 ))) 
6 0.1 0.1 peak 82 volume 6.82248 ppm1 7.103 ppm2 4.690
 
! ############### c13noe.83 folded -
assi (attr store1 < 3.932 and attr store1 > 3.832 )
     ((attr store1 < 7.136 and attr store1 > 7.076 ) and 
      (bondedto (attr store1 < 85.4050545657  and attr store1 > 84.6050545657 ) or 
       bondedto (attr store1 < 133.129163697  and attr store1 > 132.329163697) or 
       bondedto (attr store1 < 37.6809454343  and attr store1 > 36.8809454343 ))) 
6 0.1 0.1 peak 83 volume 9.4634 ppm1 7.106 ppm2 3.882
 
! ############### c13noe.84 folded -
assi (attr store1 < 3.23 and attr store1 > 3.13 )
     ((attr store1 < 7.135 and attr store1 > 7.075 ) and 
      (bondedto (attr store1 < 85.4020545657  and attr store1 > 84.6020545657 ) or 
       bondedto (attr store1 < 133.126163697  and attr store1 > 132.326163697) or 
       bondedto (attr store1 < 37.6779454343  and attr store1 > 36.8779454343 ))) 
6 0.1 0.1 peak 84 volume 10.37117 ppm1 7.105 ppm2 3.180
 
! ############### c13noe.85 folded -
assi (attr store1 < 0.955 and attr store1 > 0.855 )
     ((attr store1 < 7.135 and attr store1 > 7.075 ) and 
      (bondedto (attr store1 < 85.4200545657  and attr store1 > 84.6200545657 ) or 
       bondedto (attr store1 < 133.144163697  and attr store1 > 132.344163697) or 
       bondedto (attr store1 < 37.6959454343  and attr store1 > 36.8959454343 ))) 
6 0.1 0.1 peak 85 volume 14.07435 ppm1 7.105 ppm2 0.905
 
! ############### c13noe.86 folded -
assi (attr store1 < 7.227 and attr store1 > 7.127 )
     ((attr store1 < 7.13 and attr store1 > 7.07 ) and 
      (bondedto (attr store1 < 85.4230545657  and attr store1 > 84.6230545657 ) or 
       bondedto (attr store1 < 133.147163697  and attr store1 > 132.347163697) or 
       bondedto (attr store1 < 37.6989454343  and attr store1 > 36.8989454343 ))) 
6 0.1 0.1 peak 86 volume 17.30734 ppm1 7.100 ppm2 7.177
 
! ############### c13noe.87 folded -
assi (attr store1 < 3.131 and attr store1 > 3.031 )
     ((attr store1 < 7.133 and attr store1 > 7.073 ) and 
      (bondedto (attr store1 < 85.4370545657  and attr store1 > 84.6370545657 ) or 
       bondedto (attr store1 < 133.161163697  and attr store1 > 132.361163697) or 
       bondedto (attr store1 < 37.7129454343  and attr store1 > 36.9129454343 ))) 
6 0.1 0.1 peak 87 volume 11.70698 ppm1 7.103 ppm2 3.081
 
! ############### c13noe.88 folded -
assi (attr store1 < 1.111 and attr store1 > 1.011 )
     ((attr store1 < 7.131 and attr store1 > 7.071 ) and 
      (bondedto (attr store1 < 85.4330545657  and attr store1 > 84.6330545657 ) or 
       bondedto (attr store1 < 133.157163697  and attr store1 > 132.357163697) or 
       bondedto (attr store1 < 37.7089454343  and attr store1 > 36.9089454343 ))) 
6 0.1 0.1 peak 88 volume 20.05682 ppm1 7.101 ppm2 1.061
 
! ############### c13noe.89 folded -
assi (attr store1 < 1.039 and attr store1 > 0.939 )
     ((attr store1 < 7.132 and attr store1 > 7.072 ) and 
      (bondedto (attr store1 < 85.4120545657  and attr store1 > 84.6120545657 ) or 
       bondedto (attr store1 < 133.136163697  and attr store1 > 132.336163697) or 
       bondedto (attr store1 < 37.6879454343  and attr store1 > 36.8879454343 ))) 
6 0.1 0.1 peak 89 volume 13.35927 ppm1 7.102 ppm2 0.989
 
! ############### c13noe.90 folded -
assi (attr store1 < 8.629 and attr store1 > 8.529 )
     ((attr store1 < 3.749 and attr store1 > 3.689 ) and 
      (bondedto (attr store1 < 108.975054566  and attr store1 > 108.175054566 ) or 
       bondedto (attr store1 < 156.699163697  and attr store1 > 155.899163697) or 
       bondedto (attr store1 < 61.2509454343  and attr store1 > 60.4509454343 ))) 
6 0.1 0.1 peak 90 volume 7.64996 ppm1 3.719 ppm2 8.579
 
! ############### c13noe.91 folded -
assi (attr store1 < 8.62 and attr store1 > 8.52 )
     ((attr store1 < 3.739 and attr store1 > 3.679 ) and 
      (bondedto (attr store1 < 108.959054566  and attr store1 > 108.159054566 ) or 
       bondedto (attr store1 < 156.683163697  and attr store1 > 155.883163697) or 
       bondedto (attr store1 < 61.2349454343  and attr store1 > 60.4349454343 ))) 
6 0.1 0.1 peak 91 volume 7.66493 ppm1 3.709 ppm2 8.570
 
! ############### c13noe.92 folded +
assi (attr store1 < 1.233 and attr store1 > 1.133 )
     ((attr store1 < 1.487 and attr store1 > 1.427 ) and 
      (bondedto (attr store1 < 132.762109131  and attr store1 > 131.962109131 ) or 
       bondedto (attr store1 < 85.038  and attr store1 > 84.238 ) or 
       bondedto (attr store1 < 37.3138908686  and attr store1 > 36.5138908686 ))) 
6 0.1 0.1 peak 92 volume 12.85463 ppm1 1.457 ppm2 1.183
 
! ############### c13noe.93 folded +
assi (attr store1 < 1.504 and attr store1 > 1.404 )
     ((attr store1 < 1.22 and attr store1 > 1.16 ) and 
      (bondedto (attr store1 < 132.772109131  and attr store1 > 131.972109131 ) or 
       bondedto (attr store1 < 85.048  and attr store1 > 84.248 ) or 
       bondedto (attr store1 < 37.3238908686  and attr store1 > 36.5238908686 ))) 
6 0.1 0.1 peak 93 volume 14.25299 ppm1 1.190 ppm2 1.454
 
! ############### c13noe.94 folded -
assi (attr store1 < 7.862 and attr store1 > 7.762 )
     ((attr store1 < 4.387 and attr store1 > 4.327 ) and 
      (bondedto (attr store1 < 108.880054566  and attr store1 > 108.080054566 ) or 
       bondedto (attr store1 < 156.604163697  and attr store1 > 155.804163697) or 
       bondedto (attr store1 < 61.1559454343  and attr store1 > 60.3559454343 ))) 
6 0.1 0.1 peak 94 volume 8.29906 ppm1 4.357 ppm2 7.812
 
! ############### c13noe.95 folded -
assi (attr store1 < 7.962 and attr store1 > 7.862 )
     ((attr store1 < 4.059 and attr store1 > 3.999 ) and 
      (bondedto (attr store1 < 108.897054566  and attr store1 > 108.097054566 ) or 
       bondedto (attr store1 < 156.621163697  and attr store1 > 155.821163697) or 
       bondedto (attr store1 < 61.1729454343  and attr store1 > 60.3729454343 ))) 
6 0.1 0.1 peak 95 volume 9.1168 ppm1 4.029 ppm2 7.912
 
! ############### c13noe.96 folded -
assi (attr store1 < 8.72 and attr store1 > 8.62 )
     ((attr store1 < 3.762 and attr store1 > 3.702 ) and 
      (bondedto (attr store1 < 108.927054566  and attr store1 > 108.127054566 ) or 
       bondedto (attr store1 < 156.651163697  and attr store1 > 155.851163697) or 
       bondedto (attr store1 < 61.2029454343  and attr store1 > 60.4029454343 ))) 
6 0.1 0.1 peak 96 volume 7.16524 ppm1 3.732 ppm2 8.670
 
! ############### c13noe.97 folded +
assi (attr store1 < 3.72 and attr store1 > 3.62 )
     ((attr store1 < 3.866 and attr store1 > 3.806 ) and 
      (bondedto (attr store1 < 132.649109131  and attr store1 > 131.849109131 ) or 
       bondedto (attr store1 < 84.925  and attr store1 > 84.125 ) or 
       bondedto (attr store1 < 37.2008908686  and attr store1 > 36.4008908686 ))) 
6 0.1 0.1 peak 97 volume 15.49249 ppm1 3.836 ppm2 3.670
 
! ############### c13noe.98 folded +
assi (attr store1 < 3.889 and attr store1 > 3.789 )
     ((attr store1 < 3.696 and attr store1 > 3.636 ) and 
      (bondedto (attr store1 < 132.681109131  and attr store1 > 131.881109131 ) or 
       bondedto (attr store1 < 84.957  and attr store1 > 84.157 ) or 
       bondedto (attr store1 < 37.2328908686  and attr store1 > 36.4328908686 ))) 
6 0.1 0.1 peak 98 volume 14.89162 ppm1 3.666 ppm2 3.839
 
! ############### c13noe.99 folded +
assi (attr store1 < 1.652 and attr store1 > 1.552 )
     ((attr store1 < 2.366 and attr store1 > 2.306 ) and 
      (bondedto (attr store1 < 132.702109131  and attr store1 > 131.902109131 ) or 
       bondedto (attr store1 < 84.978  and attr store1 > 84.178 ) or 
       bondedto (attr store1 < 37.2538908686  and attr store1 > 36.4538908686 ))) 
6 0.1 0.1 peak 99 volume 10.24455 ppm1 2.336 ppm2 1.602
 
! ############### c13noe.100 folded +
assi (attr store1 < 8.064 and attr store1 > 7.964 )
     ((attr store1 < 2.316 and attr store1 > 2.256 ) and 
      (bondedto (attr store1 < 132.664109131  and attr store1 > 131.864109131 ) or 
       bondedto (attr store1 < 84.94  and attr store1 > 84.14 ) or 
       bondedto (attr store1 < 37.2158908686  and attr store1 > 36.4158908686 ))) 
6 0.1 0.1 peak 100 volume 15.24837 ppm1 2.286 ppm2 8.014
 
! ############### c13noe.101 folded +
assi (attr store1 < 4.526 and attr store1 > 4.426 )
     ((attr store1 < 2.307 and attr store1 > 2.247 ) and 
      (bondedto (attr store1 < 132.677109131  and attr store1 > 131.877109131 ) or 
       bondedto (attr store1 < 84.953  and attr store1 > 84.153 ) or 
       bondedto (attr store1 < 37.2288908686  and attr store1 > 36.4288908686 ))) 
6 0.1 0.1 peak 101 volume 24.50948 ppm1 2.277 ppm2 4.476
 
! ############### c13noe.102 folded +
assi (attr store1 < 3.814 and attr store1 > 3.714 )
     ((attr store1 < 2.305 and attr store1 > 2.245 ) and 
      (bondedto (attr store1 < 132.662109131  and attr store1 > 131.862109131 ) or 
       bondedto (attr store1 < 84.938  and attr store1 > 84.138 ) or 
       bondedto (attr store1 < 37.2138908686  and attr store1 > 36.4138908686 ))) 
6 0.1 0.1 peak 102 volume 7.97931 ppm1 2.275 ppm2 3.764
 
! ############### c13noe.103 folded +
assi (attr store1 < 1.654 and attr store1 > 1.554 )
     ((attr store1 < 2.306 and attr store1 > 2.246 ) and 
      (bondedto (attr store1 < 132.692109131  and attr store1 > 131.892109131 ) or 
       bondedto (attr store1 < 84.968  and attr store1 > 84.168 ) or 
       bondedto (attr store1 < 37.2438908686  and attr store1 > 36.4438908686 ))) 
6 0.1 0.1 peak 103 volume 8.00632 ppm1 2.276 ppm2 1.604
 
! ############### c13noe.104 folded +
assi (attr store1 < 2.37 and attr store1 > 2.27 )
     ((attr store1 < 2.012 and attr store1 > 1.952 ) and 
      (bondedto (attr store1 < 132.662109131  and attr store1 > 131.862109131 ) or 
       bondedto (attr store1 < 84.938  and attr store1 > 84.138 ) or 
       bondedto (attr store1 < 37.2138908686  and attr store1 > 36.4138908686 ))) 
6 0.1 0.1 peak 104 volume 23.79706 ppm1 1.982 ppm2 2.320
 
! ############### c13noe.105 folded +
assi (attr store1 < 2.363 and attr store1 > 2.263 )
     ((attr store1 < 1.978 and attr store1 > 1.918 ) and 
      (bondedto (attr store1 < 132.633109131  and attr store1 > 131.833109131 ) or 
       bondedto (attr store1 < 84.909  and attr store1 > 84.109 ) or 
       bondedto (attr store1 < 37.1848908686  and attr store1 > 36.3848908686 ))) 
6 0.1 0.1 peak 105 volume 17.67737 ppm1 1.948 ppm2 2.313
 
! ############### c13noe.106 folded +
assi (attr store1 < 0.92 and attr store1 > 0.82 )
     ((attr store1 < 1.477 and attr store1 > 1.417 ) and 
      (bondedto (attr store1 < 132.634109131  and attr store1 > 131.834109131 ) or 
       bondedto (attr store1 < 84.91  and attr store1 > 84.11 ) or 
       bondedto (attr store1 < 37.1858908686  and attr store1 > 36.3858908686 ))) 
6 0.1 0.1 peak 106 volume 14.95913 ppm1 1.447 ppm2 0.870
 
! ############### c13noe.107 folded +
assi (attr store1 < 3.804 and attr store1 > 3.704 )
     ((attr store1 < 2.368 and attr store1 > 2.308 ) and 
      (bondedto (attr store1 < 132.616109131  and attr store1 > 131.816109131 ) or 
       bondedto (attr store1 < 84.892  and attr store1 > 84.092 ) or 
       bondedto (attr store1 < 37.1678908686  and attr store1 > 36.3678908686 ))) 
6 0.1 0.1 peak 107 volume 10.92519 ppm1 2.338 ppm2 3.754
 
! ############### c13noe.108 folded +
assi (attr store1 < 9.412 and attr store1 > 9.312 )
     ((attr store1 < 2.361 and attr store1 > 2.301 ) and 
      (bondedto (attr store1 < 132.567109131  and attr store1 > 131.767109131 ) or 
       bondedto (attr store1 < 84.843  and attr store1 > 84.043 ) or 
       bondedto (attr store1 < 37.1188908686  and attr store1 > 36.3188908686 ))) 
6 0.1 0.1 peak 108 volume 22.66805 ppm1 2.331 ppm2 9.362
 
! ############### c13noe.109 folded +
assi (attr store1 < 3.912 and attr store1 > 3.812 )
     ((attr store1 < 2.36 and attr store1 > 2.3 ) and 
      (bondedto (attr store1 < 132.608109131  and attr store1 > 131.808109131 ) or 
       bondedto (attr store1 < 84.884  and attr store1 > 84.084 ) or 
       bondedto (attr store1 < 37.1598908686  and attr store1 > 36.3598908686 ))) 
6 0.1 0.1 peak 109 volume 9.14078 ppm1 2.330 ppm2 3.862
 
! ############### c13noe.110 folded +
assi (attr store1 < 8.065 and attr store1 > 7.965 )
     ((attr store1 < 2.353 and attr store1 > 2.293 ) and 
      (bondedto (attr store1 < 132.602109131  and attr store1 > 131.802109131 ) or 
       bondedto (attr store1 < 84.878  and attr store1 > 84.078 ) or 
       bondedto (attr store1 < 37.1538908686  and attr store1 > 36.3538908686 ))) 
6 0.1 0.1 peak 110 volume 21.58041 ppm1 2.323 ppm2 8.015
 
! ############### c13noe.111 folded -
assi (attr store1 < 4.125 and attr store1 > 4.025 )
     ((attr store1 < 4.257 and attr store1 > 4.197 ) and 
      (bondedto (attr store1 < 108.745054566  and attr store1 > 107.945054566 ) or 
       bondedto (attr store1 < 156.469163697  and attr store1 > 155.669163697) or 
       bondedto (attr store1 < 61.0209454343  and attr store1 > 60.2209454343 ))) 
6 0.1 0.1 peak 111 volume 27.96607 ppm1 4.227 ppm2 4.075
 
! ############### c13noe.112 folded -
assi (attr store1 < 4.734 and attr store1 > 4.634 )
     ((attr store1 < 4.253 and attr store1 > 4.193 ) and 
      (bondedto (attr store1 < 108.749054566  and attr store1 > 107.949054566 ) or 
       bondedto (attr store1 < 156.473163697  and attr store1 > 155.673163697) or 
       bondedto (attr store1 < 61.0249454343  and attr store1 > 60.2249454343 ))) 
6 0.1 0.1 peak 112 volume 22.58479 ppm1 4.223 ppm2 4.684
 
! ############### c13noe.113 folded -
assi (attr store1 < 4.002 and attr store1 > 3.902 )
     ((attr store1 < 4.252 and attr store1 > 4.192 ) and 
      (bondedto (attr store1 < 108.738054566  and attr store1 > 107.938054566 ) or 
       bondedto (attr store1 < 156.462163697  and attr store1 > 155.662163697) or 
       bondedto (attr store1 < 61.0139454343  and attr store1 > 60.2139454343 ))) 
6 0.1 0.1 peak 113 volume 25.03778 ppm1 4.222 ppm2 3.952
 
! ############### c13noe.114 folded +
assi (attr store1 < 7.823 and attr store1 > 7.723 )
     ((attr store1 < 2.52 and attr store1 > 2.46 ) and 
      (bondedto (attr store1 < 132.510109131  and attr store1 > 131.710109131 ) or 
       bondedto (attr store1 < 84.786  and attr store1 > 83.986 ) or 
       bondedto (attr store1 < 37.0618908686  and attr store1 > 36.2618908686 ))) 
6 0.1 0.1 peak 114 volume 29.30188 ppm1 2.490 ppm2 7.773
 
! ############### c13noe.115 folded +
assi (attr store1 < 4.197 and attr store1 > 4.097 )
     ((attr store1 < 2.521 and attr store1 > 2.461 ) and 
      (bondedto (attr store1 < 132.509109131  and attr store1 > 131.709109131 ) or 
       bondedto (attr store1 < 84.785  and attr store1 > 83.985 ) or 
       bondedto (attr store1 < 37.0608908686  and attr store1 > 36.2608908686 ))) 
6 0.1 0.1 peak 115 volume 32.42210 ppm1 2.491 ppm2 4.147
 
! ############### c13noe.116 folded +
assi (attr store1 < 4.049 and attr store1 > 3.949 )
     ((attr store1 < 2.519 and attr store1 > 2.459 ) and 
      (bondedto (attr store1 < 132.494109131  and attr store1 > 131.694109131 ) or 
       bondedto (attr store1 < 84.77  and attr store1 > 83.97 ) or 
       bondedto (attr store1 < 37.0458908686  and attr store1 > 36.2458908686 ))) 
6 0.1 0.1 peak 116 volume 14.72426 ppm1 2.489 ppm2 3.999
 
! ############### c13noe.117 folded +
assi (attr store1 < 8.846 and attr store1 > 8.746 )
     ((attr store1 < 2.476 and attr store1 > 2.416 ) and 
      (bondedto (attr store1 < 132.460109131  and attr store1 > 131.660109131 ) or 
       bondedto (attr store1 < 84.736  and attr store1 > 83.936 ) or 
       bondedto (attr store1 < 37.0118908686  and attr store1 > 36.2118908686 ))) 
6 0.1 0.1 peak 117 volume 24.05511 ppm1 2.446 ppm2 8.796
 
! ############### c13noe.118 folded +
assi (attr store1 < 4.262 and attr store1 > 4.162 )
     ((attr store1 < 2.479 and attr store1 > 2.419 ) and 
      (bondedto (attr store1 < 132.465109131  and attr store1 > 131.665109131 ) or 
       bondedto (attr store1 < 84.741  and attr store1 > 83.941 ) or 
       bondedto (attr store1 < 37.0168908686  and attr store1 > 36.2168908686 ))) 
6 0.1 0.1 peak 118 volume 12.81952 ppm1 2.449 ppm2 4.212
 
! ############### c13noe.119 folded +
assi (attr store1 < 4.189 and attr store1 > 4.089 )
     ((attr store1 < 2.478 and attr store1 > 2.418 ) and 
      (bondedto (attr store1 < 132.475109131  and attr store1 > 131.675109131 ) or 
       bondedto (attr store1 < 84.751  and attr store1 > 83.951 ) or 
       bondedto (attr store1 < 37.0268908686  and attr store1 > 36.2268908686 ))) 
6 0.1 0.1 peak 119 volume 20.22080 ppm1 2.448 ppm2 4.139
 
! ############### c13noe.120 folded +
assi (attr store1 < 4.051 and attr store1 > 3.951 )
     ((attr store1 < 2.426 and attr store1 > 2.366 ) and 
      (bondedto (attr store1 < 132.493109131  and attr store1 > 131.693109131 ) or 
       bondedto (attr store1 < 84.769  and attr store1 > 83.969 ) or 
       bondedto (attr store1 < 37.0448908686  and attr store1 > 36.2448908686 ))) 
6 0.1 0.1 peak 120 volume 13.54600 ppm1 2.396 ppm2 4.001
 
! ############### c13noe.121 folded +
assi (attr store1 < 4.126 and attr store1 > 4.026 )
     ((attr store1 < 2.421 and attr store1 > 2.361 ) and 
      (bondedto (attr store1 < 132.495109131  and attr store1 > 131.695109131 ) or 
       bondedto (attr store1 < 84.771  and attr store1 > 83.971 ) or 
       bondedto (attr store1 < 37.0468908686  and attr store1 > 36.2468908686 ))) 
6 0.1 0.1 peak 121 volume 10.83497 ppm1 2.391 ppm2 4.076
 
! ############### c13noe.122 folded +
assi (attr store1 < 8.844 and attr store1 > 8.744 )
     ((attr store1 < 2.262 and attr store1 > 2.202 ) and 
      (bondedto (attr store1 < 132.474109131  and attr store1 > 131.674109131 ) or 
       bondedto (attr store1 < 84.75  and attr store1 > 83.95 ) or 
       bondedto (attr store1 < 37.0258908686  and attr store1 > 36.2258908686 ))) 
6 0.1 0.1 peak 122 volume 17.87653 ppm1 2.232 ppm2 8.794
 
! ############### c13noe.123 folded +
assi (attr store1 < 4.187 and attr store1 > 4.087 )
     ((attr store1 < 2.26 and attr store1 > 2.2 ) and 
      (bondedto (attr store1 < 132.474109131  and attr store1 > 131.674109131 ) or 
       bondedto (attr store1 < 84.75  and attr store1 > 83.95 ) or 
       bondedto (attr store1 < 37.0258908686  and attr store1 > 36.2258908686 ))) 
6 0.1 0.1 peak 123 volume 21.80513 ppm1 2.230 ppm2 4.137
 
! ############### c13noe.124 folded +
assi (attr store1 < 0.845 and attr store1 > 0.745 )
     ((attr store1 < 2.264 and attr store1 > 2.204 ) and 
      (bondedto (attr store1 < 132.482109131  and attr store1 > 131.682109131 ) or 
       bondedto (attr store1 < 84.758  and attr store1 > 83.958 ) or 
       bondedto (attr store1 < 37.0338908686  and attr store1 > 36.2338908686 ))) 
6 0.1 0.1 peak 124 volume 11.10804 ppm1 2.234 ppm2 0.795
 
! ############### c13noe.125 folded +
assi (attr store1 < 8.418 and attr store1 > 8.318 )
     ((attr store1 < 2.258 and attr store1 > 2.198 ) and 
      (bondedto (attr store1 < 132.520109131  and attr store1 > 131.720109131 ) or 
       bondedto (attr store1 < 84.796  and attr store1 > 83.996 ) or 
       bondedto (attr store1 < 37.0718908686  and attr store1 > 36.2718908686 ))) 
6 0.1 0.1 peak 125 volume 7.44494 ppm1 2.228 ppm2 8.368
 
! ############### c13noe.126 folded +
assi (attr store1 < 1.852 and attr store1 > 1.752 )
     ((attr store1 < 1.933 and attr store1 > 1.873 ) and 
      (bondedto (attr store1 < 132.495109131  and attr store1 > 131.695109131 ) or 
       bondedto (attr store1 < 84.771  and attr store1 > 83.971 ) or 
       bondedto (attr store1 < 37.0468908686  and attr store1 > 36.2468908686 ))) 
6 0.1 0.1 peak 126 volume 19.78786 ppm1 1.903 ppm2 1.802
 
! ############### c13noe.127 folded +
assi (attr store1 < 1.946 and attr store1 > 1.846 )
     ((attr store1 < 1.83 and attr store1 > 1.77 ) and 
      (bondedto (attr store1 < 132.497109131  and attr store1 > 131.697109131 ) or 
       bondedto (attr store1 < 84.773  and attr store1 > 83.973 ) or 
       bondedto (attr store1 < 37.0488908686  and attr store1 > 36.2488908686 ))) 
6 0.1 0.1 peak 127 volume 17.91990 ppm1 1.800 ppm2 1.896
 
! ############### c13noe.128 folded +
assi (attr store1 < 1.903 and attr store1 > 1.803 )
     ((attr store1 < 0.982 and attr store1 > 0.922 ) and 
      (bondedto (attr store1 < 132.518109131  and attr store1 > 131.718109131 ) or 
       bondedto (attr store1 < 84.794  and attr store1 > 83.994 ) or 
       bondedto (attr store1 < 37.0698908686  and attr store1 > 36.2698908686 ))) 
6 0.1 0.1 peak 128 volume 8.16734 ppm1 0.952 ppm2 1.853
 
! ############### c13noe.129 folded +
assi (attr store1 < 1.722 and attr store1 > 1.622 )
     ((attr store1 < 0.971 and attr store1 > 0.911 ) and 
      (bondedto (attr store1 < 132.458109131  and attr store1 > 131.658109131 ) or 
       bondedto (attr store1 < 84.734  and attr store1 > 83.934 ) or 
       bondedto (attr store1 < 37.0098908686  and attr store1 > 36.2098908686 ))) 
6 0.1 0.1 peak 129 volume 7.93288 ppm1 0.941 ppm2 1.672
 
! ############### c13noe.130 folded +
assi (attr store1 < 0.848 and attr store1 > 0.748 )
     ((attr store1 < 2.481 and attr store1 > 2.421 ) and 
      (bondedto (attr store1 < 132.442109131  and attr store1 > 131.642109131 ) or 
       bondedto (attr store1 < 84.718  and attr store1 > 83.918 ) or 
       bondedto (attr store1 < 36.9938908686  and attr store1 > 36.1938908686 ))) 
6 0.1 0.1 peak 130 volume 10.98406 ppm1 2.451 ppm2 0.798
 
! ############### c13noe.131 folded +
assi (attr store1 < 8.413 and attr store1 > 8.313 )
     ((attr store1 < 2.476 and attr store1 > 2.416 ) and 
      (bondedto (attr store1 < 132.422109131  and attr store1 > 131.622109131 ) or 
       bondedto (attr store1 < 84.698  and attr store1 > 83.898 ) or 
       bondedto (attr store1 < 36.9738908686  and attr store1 > 36.1738908686 ))) 
6 0.1 0.1 peak 131 volume 6.46060 ppm1 2.446 ppm2 8.363
 
! ############### c13noe.132 folded +
assi (attr store1 < 2.095 and attr store1 > 1.995 )
     ((attr store1 < 1.982 and attr store1 > 1.922 ) and 
      (bondedto (attr store1 < 132.373109131  and attr store1 > 131.573109131 ) or 
       bondedto (attr store1 < 84.649  and attr store1 > 83.849 ) or 
       bondedto (attr store1 < 36.9248908686  and attr store1 > 36.1248908686 ))) 
6 0.1 0.1 peak 132 volume 11.08460 ppm1 1.952 ppm2 2.045
 
! ############### c13noe.133 folded -
assi (attr store1 < 2.782 and attr store1 > 2.682 )
     ((attr store1 < 3.934 and attr store1 > 3.874 ) and 
      (bondedto (attr store1 < 108.538054566  and attr store1 > 107.738054566 ) or 
       bondedto (attr store1 < 156.262163697  and attr store1 > 155.462163697) or 
       bondedto (attr store1 < 60.8139454343  and attr store1 > 60.0139454343 ))) 
6 0.1 0.1 peak 133 volume 8.2719 ppm1 3.904 ppm2 2.732
 
! ############### c13noe.134 folded -
assi (attr store1 < 1.11 and attr store1 > 1.01 )
     ((attr store1 < 3.931 and attr store1 > 3.871 ) and 
      (bondedto (attr store1 < 108.533054566  and attr store1 > 107.733054566 ) or 
       bondedto (attr store1 < 156.257163697  and attr store1 > 155.457163697) or 
       bondedto (attr store1 < 60.8089454343  and attr store1 > 60.0089454343 ))) 
6 0.1 0.1 peak 134 volume 15.99533 ppm1 3.901 ppm2 1.060
 
! ############### c13noe.135 folded -
assi (attr store1 < 2.38 and attr store1 > 2.28 )
     ((attr store1 < 3.927 and attr store1 > 3.867 ) and 
      (bondedto (attr store1 < 108.504054566  and attr store1 > 107.704054566 ) or 
       bondedto (attr store1 < 156.228163697  and attr store1 > 155.428163697) or 
       bondedto (attr store1 < 60.7799454343  and attr store1 > 59.9799454343 ))) 
6 0.1 0.1 peak 135 volume 11.9883 ppm1 3.897 ppm2 2.330
 
! ############### c13noe.136 folded -
assi (attr store1 < 2.079 and attr store1 > 1.979 )
     ((attr store1 < 3.927 and attr store1 > 3.867 ) and 
      (bondedto (attr store1 < 108.546054566  and attr store1 > 107.746054566 ) or 
       bondedto (attr store1 < 156.270163697  and attr store1 > 155.470163697) or 
       bondedto (attr store1 < 60.8219454343  and attr store1 > 60.0219454343 ))) 
6 0.1 0.1 peak 136 volume 18.63434 ppm1 3.897 ppm2 2.029
 
! ############### c13noe.137 folded -
assi (attr store1 < 2.49 and attr store1 > 2.39 )
     ((attr store1 < 3.921 and attr store1 > 3.861 ) and 
      (bondedto (attr store1 < 108.521054566  and attr store1 > 107.721054566 ) or 
       bondedto (attr store1 < 156.245163697  and attr store1 > 155.445163697) or 
       bondedto (attr store1 < 60.7969454343  and attr store1 > 59.9969454343 ))) 
6 0.1 0.1 peak 137 volume 12.05014 ppm1 3.891 ppm2 2.440
 
! ############### c13noe.138 folded -
assi (attr store1 < 1.616 and attr store1 > 1.516 )
     ((attr store1 < 3.924 and attr store1 > 3.864 ) and 
      (bondedto (attr store1 < 108.534054566  and attr store1 > 107.734054566 ) or 
       bondedto (attr store1 < 156.258163697  and attr store1 > 155.458163697) or 
       bondedto (attr store1 < 60.8099454343  and attr store1 > 60.0099454343 ))) 
6 0.1 0.1 peak 138 volume 19.0125 ppm1 3.894 ppm2 1.566
 
! ############### c13noe.139 folded -
assi (attr store1 < 3.185 and attr store1 > 3.085 )
     ((attr store1 < 3.794 and attr store1 > 3.734 ) and 
      (bondedto (attr store1 < 108.573054566  and attr store1 > 107.773054566 ) or 
       bondedto (attr store1 < 156.297163697  and attr store1 > 155.497163697) or 
       bondedto (attr store1 < 60.8489454343  and attr store1 > 60.0489454343 ))) 
6 0.1 0.1 peak 139 volume 21.88526 ppm1 3.764 ppm2 3.135
 
! ############### c13noe.140 folded +
assi (attr store1 < 0.842 and attr store1 > 0.742 )
     ((attr store1 < 0.522 and attr store1 > 0.462 ) and 
      (bondedto (attr store1 < 132.330109131  and attr store1 > 131.530109131 ) or 
       bondedto (attr store1 < 84.606  and attr store1 > 83.806 ) or 
       bondedto (attr store1 < 36.8818908686  and attr store1 > 36.0818908686 ))) 
6 0.1 0.1 peak 140 volume 11.27042 ppm1 0.492 ppm2 0.792
 
! ############### c13noe.141 folded -
assi (attr store1 < 7.86 and attr store1 > 7.76 )
     ((attr store1 < 4.04 and attr store1 > 3.98 ) and 
      (bondedto (attr store1 < 108.413054566  and attr store1 > 107.613054566 ) or 
       bondedto (attr store1 < 156.137163697  and attr store1 > 155.337163697) or 
       bondedto (attr store1 < 60.6889454343  and attr store1 > 59.8889454343 ))) 
6 0.1 0.1 peak 141 volume 15.85845 ppm1 4.010 ppm2 7.810
 
! ############### c13noe.142 folded -
assi (attr store1 < 1.479 and attr store1 > 1.379 )
     ((attr store1 < 4.042 and attr store1 > 3.982 ) and 
      (bondedto (attr store1 < 108.399054566  and attr store1 > 107.599054566 ) or 
       bondedto (attr store1 < 156.123163697  and attr store1 > 155.323163697) or 
       bondedto (attr store1 < 60.6749454343  and attr store1 > 59.8749454343 ))) 
6 0.1 0.1 peak 142 volume 15.47368 ppm1 4.012 ppm2 1.429
 
! ############### c13noe.143 folded -
assi (attr store1 < 7.997 and attr store1 > 7.897 )
     ((attr store1 < 4.034 and attr store1 > 3.974 ) and 
      (bondedto (attr store1 < 108.443054566  and attr store1 > 107.643054566 ) or 
       bondedto (attr store1 < 156.167163697  and attr store1 > 155.367163697) or 
       bondedto (attr store1 < 60.7189454343  and attr store1 > 59.9189454343 ))) 
6 0.1 0.1 peak 143 volume 9.68178 ppm1 4.004 ppm2 7.947
 
! ############### c13noe.144 folded -
assi (attr store1 < 7.989 and attr store1 > 7.889 )
     ((attr store1 < 3.927 and attr store1 > 3.867 ) and 
      (bondedto (attr store1 < 108.472054566  and attr store1 > 107.672054566 ) or 
       bondedto (attr store1 < 156.196163697  and attr store1 > 155.396163697) or 
       bondedto (attr store1 < 60.7479454343  and attr store1 > 59.9479454343 ))) 
6 0.1 0.1 peak 144 volume 7.78072 ppm1 3.897 ppm2 7.939
 
! ############### c13noe.145 folded -
assi (attr store1 < 2.11 and attr store1 > 2.01 )
     ((attr store1 < 4.036 and attr store1 > 3.976 ) and 
      (bondedto (attr store1 < 108.366054566  and attr store1 > 107.566054566 ) or 
       bondedto (attr store1 < 156.090163697  and attr store1 > 155.290163697) or 
       bondedto (attr store1 < 60.6419454343  and attr store1 > 59.8419454343 ))) 
6 0.1 0.1 peak 145 volume 42.60772 ppm1 4.006 ppm2 2.060
 
! ############### c13noe.146 folded -
assi (attr store1 < 1.692 and attr store1 > 1.592 )
     ((attr store1 < 4.035 and attr store1 > 3.975 ) and 
      (bondedto (attr store1 < 108.389054566  and attr store1 > 107.589054566 ) or 
       bondedto (attr store1 < 156.113163697  and attr store1 > 155.313163697) or 
       bondedto (attr store1 < 60.6649454343  and attr store1 > 59.8649454343 ))) 
6 0.1 0.1 peak 146 volume 14.37376 ppm1 4.005 ppm2 1.642
 
! ############### c13noe.147 folded -
assi (attr store1 < 1.01 and attr store1 > 0.91 )
     ((attr store1 < 4.035 and attr store1 > 3.975 ) and 
      (bondedto (attr store1 < 108.369054566  and attr store1 > 107.569054566 ) or 
       bondedto (attr store1 < 156.093163697  and attr store1 > 155.293163697) or 
       bondedto (attr store1 < 60.6449454343  and attr store1 > 59.8449454343 ))) 
6 0.1 0.1 peak 147 volume 30.6702 ppm1 4.005 ppm2 0.960
 
! ############### c13noe.148 folded -
assi (attr store1 < 1.248 and attr store1 > 1.148 )
     ((attr store1 < 1.484 and attr store1 > 1.424 ) and 
      (bondedto (attr store1 < 108.386054566  and attr store1 > 107.586054566 ) or 
       bondedto (attr store1 < 156.110163697  and attr store1 > 155.310163697) or 
       bondedto (attr store1 < 60.6619454343  and attr store1 > 59.8619454343 ))) 
6 0.1 0.1 peak 148 volume 17.11585 ppm1 1.454 ppm2 1.198
 
! ############### c13noe.149 folded -
assi (attr store1 < 1.506 and attr store1 > 1.406 )
     ((attr store1 < 1.224 and attr store1 > 1.164 ) and 
      (bondedto (attr store1 < 108.394054566  and attr store1 > 107.594054566 ) or 
       bondedto (attr store1 < 156.118163697  and attr store1 > 155.318163697) or 
       bondedto (attr store1 < 60.6699454343  and attr store1 > 59.8699454343 ))) 
6 0.1 0.1 peak 149 volume 12.51235 ppm1 1.194 ppm2 1.456
 
! ############### c13noe.150 folded +
assi (attr store1 < 7.15 and attr store1 > 7.05 )
     ((attr store1 < 2.525 and attr store1 > 2.465 ) and 
      (bondedto (attr store1 < 132.089109131  and attr store1 > 131.289109131 ) or 
       bondedto (attr store1 < 84.365  and attr store1 > 83.565 ) or 
       bondedto (attr store1 < 36.6408908686  and attr store1 > 35.8408908686 ))) 
6 0.1 0.1 peak 150 volume 7.97183 ppm1 2.495 ppm2 7.100
 
! ############### c13noe.151 folded +
assi (attr store1 < 1.998 and attr store1 > 1.898 )
     ((attr store1 < 2.346 and attr store1 > 2.286 ) and 
      (bondedto (attr store1 < 132.076109131  and attr store1 > 131.276109131 ) or 
       bondedto (attr store1 < 84.352  and attr store1 > 83.552 ) or 
       bondedto (attr store1 < 36.6278908686  and attr store1 > 35.8278908686 ))) 
6 0.1 0.1 peak 151 volume 14.39507 ppm1 2.316 ppm2 1.948
 
! ############### c13noe.152 folded +
assi (attr store1 < 2.539 and attr store1 > 2.439 )
     ((attr store1 < 2.165 and attr store1 > 2.105 ) and 
      (bondedto (attr store1 < 132.090109131  and attr store1 > 131.290109131 ) or 
       bondedto (attr store1 < 84.366  and attr store1 > 83.566 ) or 
       bondedto (attr store1 < 36.6418908686  and attr store1 > 35.8418908686 ))) 
6 0.1 0.1 peak 152 volume 12.38008 ppm1 2.135 ppm2 2.489
 
! ############### c13noe.153 folded +
assi (attr store1 < 2.357 and attr store1 > 2.257 )
     ((attr store1 < 2.003 and attr store1 > 1.943 ) and 
      (bondedto (attr store1 < 132.129109131  and attr store1 > 131.329109131 ) or 
       bondedto (attr store1 < 84.405  and attr store1 > 83.605 ) or 
       bondedto (attr store1 < 36.6808908686  and attr store1 > 35.8808908686 ))) 
6 0.1 0.1 peak 153 volume 8.24323 ppm1 1.973 ppm2 2.307
 
! ############### c13noe.154 folded +
assi (attr store1 < 2.356 and attr store1 > 2.256 )
     ((attr store1 < 1.994 and attr store1 > 1.934 ) and 
      (bondedto (attr store1 < 132.141109131  and attr store1 > 131.341109131 ) or 
       bondedto (attr store1 < 84.417  and attr store1 > 83.617 ) or 
       bondedto (attr store1 < 36.6928908686  and attr store1 > 35.8928908686 ))) 
6 0.1 0.1 peak 154 volume 7.82563 ppm1 1.964 ppm2 2.306
 
! ############### c13noe.155 folded +
assi (attr store1 < 2.359 and attr store1 > 2.259 )
     ((attr store1 < 1.976 and attr store1 > 1.916 ) and 
      (bondedto (attr store1 < 132.152109131  and attr store1 > 131.352109131 ) or 
       bondedto (attr store1 < 84.428  and attr store1 > 83.628 ) or 
       bondedto (attr store1 < 36.7038908686  and attr store1 > 35.9038908686 ))) 
6 0.1 0.1 peak 155 volume 8.96677 ppm1 1.946 ppm2 2.309
 
! ############### c13noe.156 folded -
assi (attr store1 < 3.721 and attr store1 > 3.621 )
     ((attr store1 < 3.871 and attr store1 > 3.811 ) and 
      (bondedto (attr store1 < 108.247054566  and attr store1 > 107.447054566 ) or 
       bondedto (attr store1 < 155.971163697  and attr store1 > 155.171163697) or 
       bondedto (attr store1 < 60.5229454343  and attr store1 > 59.7229454343 ))) 
6 0.1 0.1 peak 156 volume 19.99847 ppm1 3.841 ppm2 3.671
 
! ############### c13noe.157 folded -
assi (attr store1 < 3.89 and attr store1 > 3.79 )
     ((attr store1 < 3.699 and attr store1 > 3.639 ) and 
      (bondedto (attr store1 < 108.246054566  and attr store1 > 107.446054566 ) or 
       bondedto (attr store1 < 155.970163697  and attr store1 > 155.170163697) or 
       bondedto (attr store1 < 60.5219454343  and attr store1 > 59.7219454343 ))) 
6 0.1 0.1 peak 157 volume 23.41059 ppm1 3.669 ppm2 3.840
 
! ############### c13noe.158 folded +
assi (attr store1 < 8.584 and attr store1 > 8.484 )
     ((attr store1 < 2.524 and attr store1 > 2.464 ) and 
      (bondedto (attr store1 < 132.057109131  and attr store1 > 131.257109131 ) or 
       bondedto (attr store1 < 84.333  and attr store1 > 83.533 ) or 
       bondedto (attr store1 < 36.6088908686  and attr store1 > 35.8088908686 ))) 
6 0.1 0.1 peak 158 volume 22.63840 ppm1 2.494 ppm2 8.534
 
! ############### c13noe.159 folded +
assi (attr store1 < 8.427 and attr store1 > 8.327 )
     ((attr store1 < 2.52 and attr store1 > 2.46 ) and 
      (bondedto (attr store1 < 132.055109131  and attr store1 > 131.255109131 ) or 
       bondedto (attr store1 < 84.331  and attr store1 > 83.531 ) or 
       bondedto (attr store1 < 36.6068908686  and attr store1 > 35.8068908686 ))) 
6 0.1 0.1 peak 159 volume 8.78767 ppm1 2.490 ppm2 8.377
 
! ############### c13noe.160 folded +
assi (attr store1 < 3.999 and attr store1 > 3.899 )
     ((attr store1 < 2.518 and attr store1 > 2.458 ) and 
      (bondedto (attr store1 < 132.045109131  and attr store1 > 131.245109131 ) or 
       bondedto (attr store1 < 84.321  and attr store1 > 83.521 ) or 
       bondedto (attr store1 < 36.5968908686  and attr store1 > 35.7968908686 ))) 
6 0.1 0.1 peak 160 volume 25.03484 ppm1 2.488 ppm2 3.949
 
! ############### c13noe.161 folded +
assi (attr store1 < 2.375 and attr store1 > 2.275 )
     ((attr store1 < 2.52 and attr store1 > 2.46 ) and 
      (bondedto (attr store1 < 132.041109131  and attr store1 > 131.241109131 ) or 
       bondedto (attr store1 < 84.317  and attr store1 > 83.517 ) or 
       bondedto (attr store1 < 36.5928908686  and attr store1 > 35.7928908686 ))) 
6 0.1 0.1 peak 161 volume 291.64722 ppm1 2.490 ppm2 2.325
 
! ############### c13noe.162 folded +
assi (attr store1 < 2.25 and attr store1 > 2.15 )
     ((attr store1 < 2.513 and attr store1 > 2.453 ) and 
      (bondedto (attr store1 < 131.992109131  and attr store1 > 131.192109131 ) or 
       bondedto (attr store1 < 84.268  and attr store1 > 83.468 ) or 
       bondedto (attr store1 < 36.5438908686  and attr store1 > 35.7438908686 ))) 
6 0.1 0.1 peak 162 volume 110.45013 ppm1 2.483 ppm2 2.200
 
! ############### c13noe.163 folded +
assi (attr store1 < 4.745 and attr store1 > 4.645 )
     ((attr store1 < 2.365 and attr store1 > 2.305 ) and 
      (bondedto (attr store1 < 132.007109131  and attr store1 > 131.207109131 ) or 
       bondedto (attr store1 < 84.283  and attr store1 > 83.483 ) or 
       bondedto (attr store1 < 36.5588908686  and attr store1 > 35.7588908686 ))) 
6 0.1 0.1 peak 163 volume 7.65349 ppm1 2.335 ppm2 4.695
 
! ############### c13noe.164 folded +
assi (attr store1 < 3.034 and attr store1 > 2.934 )
     ((attr store1 < 2.366 and attr store1 > 2.306 ) and 
      (bondedto (attr store1 < 131.991109131  and attr store1 > 131.191109131 ) or 
       bondedto (attr store1 < 84.267  and attr store1 > 83.467 ) or 
       bondedto (attr store1 < 36.5428908686  and attr store1 > 35.7428908686 ))) 
6 0.1 0.1 peak 164 volume 20.28525 ppm1 2.336 ppm2 2.984
 
! ############### c13noe.165 folded +
assi (attr store1 < 8.581 and attr store1 > 8.481 )
     ((attr store1 < 2.356 and attr store1 > 2.296 ) and 
      (bondedto (attr store1 < 132.047109131  and attr store1 > 131.247109131 ) or 
       bondedto (attr store1 < 84.323  and attr store1 > 83.523 ) or 
       bondedto (attr store1 < 36.5988908686  and attr store1 > 35.7988908686 ))) 
6 0.1 0.1 peak 165 volume 19.80974 ppm1 2.326 ppm2 8.531
 
! ############### c13noe.166 folded +
assi (attr store1 < 7.151 and attr store1 > 7.051 )
     ((attr store1 < 2.357 and attr store1 > 2.297 ) and 
      (bondedto (attr store1 < 132.044109131  and attr store1 > 131.244109131 ) or 
       bondedto (attr store1 < 84.32  and attr store1 > 83.52 ) or 
       bondedto (attr store1 < 36.5958908686  and attr store1 > 35.7958908686 ))) 
6 0.1 0.1 peak 166 volume 7.24250 ppm1 2.327 ppm2 7.101
 
! ############### c13noe.167 folded +
assi (attr store1 < 4.004 and attr store1 > 3.904 )
     ((attr store1 < 2.358 and attr store1 > 2.298 ) and 
      (bondedto (attr store1 < 132.031109131  and attr store1 > 131.231109131 ) or 
       bondedto (attr store1 < 84.307  and attr store1 > 83.507 ) or 
       bondedto (attr store1 < 36.5828908686  and attr store1 > 35.7828908686 ))) 
6 0.1 0.1 peak 167 volume 29.09962 ppm1 2.328 ppm2 3.954
 
! ############### c13noe.168 folded +
assi (attr store1 < 2.54 and attr store1 > 2.44 )
     ((attr store1 < 2.357 and attr store1 > 2.297 ) and 
      (bondedto (attr store1 < 132.053109131  and attr store1 > 131.253109131 ) or 
       bondedto (attr store1 < 84.329  and attr store1 > 83.529 ) or 
       bondedto (attr store1 < 36.6048908686  and attr store1 > 35.8048908686 ))) 
6 0.1 0.1 peak 168 volume 278.45132 ppm1 2.327 ppm2 2.490
 
! ############### c13noe.169 folded +
assi (attr store1 < 0.992 and attr store1 > 0.892 )
     ((attr store1 < 2.356 and attr store1 > 2.296 ) and 
      (bondedto (attr store1 < 131.987109131  and attr store1 > 131.187109131 ) or 
       bondedto (attr store1 < 84.263  and attr store1 > 83.463 ) or 
       bondedto (attr store1 < 36.5388908686  and attr store1 > 35.7388908686 ))) 
6 0.1 0.1 peak 169 volume 15.17356 ppm1 2.326 ppm2 0.942
 
! ############### c13noe.170 folded +
assi (attr store1 < 1.896 and attr store1 > 1.796 )
     ((attr store1 < 0.954 and attr store1 > 0.894 ) and 
      (bondedto (attr store1 < 132.037109131  and attr store1 > 131.237109131 ) or 
       bondedto (attr store1 < 84.313  and attr store1 > 83.513 ) or 
       bondedto (attr store1 < 36.5888908686  and attr store1 > 35.7888908686 ))) 
6 0.1 0.1 peak 170 volume 8.44532 ppm1 0.924 ppm2 1.846
 
! ############### c13noe.171 folded -
assi (attr store1 < 2.854 and attr store1 > 2.754 )
     ((attr store1 < 4.171 and attr store1 > 4.111 ) and 
      (bondedto (attr store1 < 108.195054566  and attr store1 > 107.395054566 ) or 
       bondedto (attr store1 < 155.919163697  and attr store1 > 155.119163697) or 
       bondedto (attr store1 < 60.4709454343  and attr store1 > 59.6709454343 ))) 
6 0.1 0.1 peak 171 volume 7.6671 ppm1 4.141 ppm2 2.804
 
! ############### c13noe.172 folded -
assi (attr store1 < 2.771 and attr store1 > 2.671 )
     ((attr store1 < 4.167 and attr store1 > 4.107 ) and 
      (bondedto (attr store1 < 108.123054566  and attr store1 > 107.323054566 ) or 
       bondedto (attr store1 < 155.847163697  and attr store1 > 155.047163697) or 
       bondedto (attr store1 < 60.3989454343  and attr store1 > 59.5989454343 ))) 
6 0.1 0.1 peak 172 volume 8.15632 ppm1 4.137 ppm2 2.721
 
! ############### c13noe.173 folded -
assi (attr store1 < 1.506 and attr store1 > 1.406 )
     ((attr store1 < 4.168 and attr store1 > 4.108 ) and 
      (bondedto (attr store1 < 108.146054566  and attr store1 > 107.346054566 ) or 
       bondedto (attr store1 < 155.870163697  and attr store1 > 155.070163697) or 
       bondedto (attr store1 < 60.4219454343  and attr store1 > 59.6219454343 ))) 
6 0.1 0.1 peak 173 volume 17.94662 ppm1 4.138 ppm2 1.456
 
! ############### c13noe.174 folded -
assi (attr store1 < 0.828 and attr store1 > 0.728 )
     ((attr store1 < 4.168 and attr store1 > 4.108 ) and 
      (bondedto (attr store1 < 108.133054566  and attr store1 > 107.333054566 ) or 
       bondedto (attr store1 < 155.857163697  and attr store1 > 155.057163697) or 
       bondedto (attr store1 < 60.4089454343  and attr store1 > 59.6089454343 ))) 
6 0.1 0.1 peak 174 volume 9.47869 ppm1 4.138 ppm2 0.778
 
! ############### c13noe.175 folded -
assi (attr store1 < 2.664 and attr store1 > 2.564 )
     ((attr store1 < 4.163 and attr store1 > 4.103 ) and 
      (bondedto (attr store1 < 108.148054566  and attr store1 > 107.348054566 ) or 
       bondedto (attr store1 < 155.872163697  and attr store1 > 155.072163697) or 
       bondedto (attr store1 < 60.4239454343  and attr store1 > 59.6239454343 ))) 
6 0.1 0.1 peak 175 volume 8.78563 ppm1 4.133 ppm2 2.614
 
! ############### c13noe.176 folded -
assi (attr store1 < 1.914 and attr store1 > 1.814 )
     ((attr store1 < 4.164 and attr store1 > 4.104 ) and 
      (bondedto (attr store1 < 108.122054566  and attr store1 > 107.322054566 ) or 
       bondedto (attr store1 < 155.846163697  and attr store1 > 155.046163697) or 
       bondedto (attr store1 < 60.3979454343  and attr store1 > 59.5979454343 ))) 
6 0.1 0.1 peak 176 volume 28.74084 ppm1 4.134 ppm2 1.864
 
! ############### c13noe.177 folded -
assi (attr store1 < 2.517 and attr store1 > 2.417 )
     ((attr store1 < 4.032 and attr store1 > 3.972 ) and 
      (bondedto (attr store1 < 108.138054566  and attr store1 > 107.338054566 ) or 
       bondedto (attr store1 < 155.862163697  and attr store1 > 155.062163697) or 
       bondedto (attr store1 < 60.4139454343  and attr store1 > 59.6139454343 ))) 
6 0.1 0.1 peak 177 volume 9.00154 ppm1 4.002 ppm2 2.467
 
! ############### c13noe.178 folded -
assi (attr store1 < 1.921 and attr store1 > 1.821 )
     ((attr store1 < 4.031 and attr store1 > 3.971 ) and 
      (bondedto (attr store1 < 108.132054566  and attr store1 > 107.332054566 ) or 
       bondedto (attr store1 < 155.856163697  and attr store1 > 155.056163697) or 
       bondedto (attr store1 < 60.4079454343  and attr store1 > 59.6079454343 ))) 
6 0.1 0.1 peak 178 volume 12.49993 ppm1 4.001 ppm2 1.871
 
! ############### c13noe.179 folded -
assi (attr store1 < 2.866 and attr store1 > 2.766 )
     ((attr store1 < 3.894 and attr store1 > 3.834 ) and 
      (bondedto (attr store1 < 108.124054566  and attr store1 > 107.324054566 ) or 
       bondedto (attr store1 < 155.848163697  and attr store1 > 155.048163697) or 
       bondedto (attr store1 < 60.3999454343  and attr store1 > 59.5999454343 ))) 
6 0.1 0.1 peak 179 volume 10.12937 ppm1 3.864 ppm2 2.816
 
! ############### c13noe.180 folded -
assi (attr store1 < 0.872 and attr store1 > 0.772 )
     ((attr store1 < 3.889 and attr store1 > 3.829 ) and 
      (bondedto (attr store1 < 108.119054566  and attr store1 > 107.319054566 ) or 
       bondedto (attr store1 < 155.843163697  and attr store1 > 155.043163697) or 
       bondedto (attr store1 < 60.3949454343  and attr store1 > 59.5949454343 ))) 
6 0.1 0.1 peak 180 volume 21.21862 ppm1 3.859 ppm2 0.822
 
! ############### c13noe.181 folded -
assi (attr store1 < 1.376 and attr store1 > 1.276 )
     ((attr store1 < 1.662 and attr store1 > 1.602 ) and 
      (bondedto (attr store1 < 108.199054566  and attr store1 > 107.399054566 ) or 
       bondedto (attr store1 < 155.923163697  and attr store1 > 155.123163697) or 
       bondedto (attr store1 < 60.4749454343  and attr store1 > 59.6749454343 ))) 
6 0.1 0.1 peak 181 volume 9.57503 ppm1 1.632 ppm2 1.326
 
! ############### c13noe.182 folded -
assi (attr store1 < 1.692 and attr store1 > 1.592 )
     ((attr store1 < 1.356 and attr store1 > 1.296 ) and 
      (bondedto (attr store1 < 108.189054566  and attr store1 > 107.389054566 ) or 
       bondedto (attr store1 < 155.913163697  and attr store1 > 155.113163697) or 
       bondedto (attr store1 < 60.4649454343  and attr store1 > 59.6649454343 ))) 
6 0.1 0.1 peak 182 volume 8.15804 ppm1 1.326 ppm2 1.642
 
! ############### c13noe.183 folded +
assi (attr store1 < 4.329 and attr store1 > 4.229 )
     ((attr store1 < 2.507 and attr store1 > 2.447 ) and 
      (bondedto (attr store1 < 131.904109131  and attr store1 > 131.104109131 ) or 
       bondedto (attr store1 < 84.18  and attr store1 > 83.38 ) or 
       bondedto (attr store1 < 36.4558908686  and attr store1 > 35.6558908686 ))) 
6 0.1 0.1 peak 183 volume 15.63293 ppm1 2.477 ppm2 4.279
 
! ############### c13noe.184 folded +
assi (attr store1 < 4.094 and attr store1 > 3.994 )
     ((attr store1 < 2.508 and attr store1 > 2.448 ) and 
      (bondedto (attr store1 < 131.922109131  and attr store1 > 131.122109131 ) or 
       bondedto (attr store1 < 84.198  and attr store1 > 83.398 ) or 
       bondedto (attr store1 < 36.4738908686  and attr store1 > 35.6738908686 ))) 
6 0.1 0.1 peak 184 volume 29.45930 ppm1 2.478 ppm2 4.044
 
! ############### c13noe.185 folded +
assi (attr store1 < 7.645 and attr store1 > 7.545 )
     ((attr store1 < 2.505 and attr store1 > 2.445 ) and 
      (bondedto (attr store1 < 131.912109131  and attr store1 > 131.112109131 ) or 
       bondedto (attr store1 < 84.188  and attr store1 > 83.388 ) or 
       bondedto (attr store1 < 36.4638908686  and attr store1 > 35.6638908686 ))) 
6 0.1 0.1 peak 185 volume 29.99023 ppm1 2.475 ppm2 7.595
 
! ############### c13noe.186 folded +
assi (attr store1 < 7.638 and attr store1 > 7.538 )
     ((attr store1 < 2.434 and attr store1 > 2.374 ) and 
      (bondedto (attr store1 < 131.912109131  and attr store1 > 131.112109131 ) or 
       bondedto (attr store1 < 84.188  and attr store1 > 83.388 ) or 
       bondedto (attr store1 < 36.4638908686  and attr store1 > 35.6638908686 ))) 
6 0.1 0.1 peak 186 volume 28.89084 ppm1 2.404 ppm2 7.588
 
! ############### c13noe.187 folded +
assi (attr store1 < 0.947 and attr store1 > 0.847 )
     ((attr store1 < 2.435 and attr store1 > 2.375 ) and 
      (bondedto (attr store1 < 131.903109131  and attr store1 > 131.103109131 ) or 
       bondedto (attr store1 < 84.179  and attr store1 > 83.379 ) or 
       bondedto (attr store1 < 36.4548908686  and attr store1 > 35.6548908686 ))) 
6 0.1 0.1 peak 187 volume 10.77538 ppm1 2.405 ppm2 0.897
 
! ############### c13noe.188 folded +
assi (attr store1 < 4.341 and attr store1 > 4.241 )
     ((attr store1 < 2.37 and attr store1 > 2.31 ) and 
      (bondedto (attr store1 < 131.948109131  and attr store1 > 131.148109131 ) or 
       bondedto (attr store1 < 84.224  and attr store1 > 83.424 ) or 
       bondedto (attr store1 < 36.4998908686  and attr store1 > 35.6998908686 ))) 
6 0.1 0.1 peak 188 volume 17.23574 ppm1 2.340 ppm2 4.291
 
! ############### c13noe.189 folded +
assi (attr store1 < 0.993 and attr store1 > 0.893 )
     ((attr store1 < 2.37 and attr store1 > 2.31 ) and 
      (bondedto (attr store1 < 131.958109131  and attr store1 > 131.158109131 ) or 
       bondedto (attr store1 < 84.234  and attr store1 > 83.434 ) or 
       bondedto (attr store1 < 36.5098908686  and attr store1 > 35.7098908686 ))) 
6 0.1 0.1 peak 189 volume 16.50935 ppm1 2.340 ppm2 0.943
 
! ############### c13noe.190 folded +
assi (attr store1 < 8.409 and attr store1 > 8.309 )
     ((attr store1 < 2.365 and attr store1 > 2.305 ) and 
      (bondedto (attr store1 < 131.967109131  and attr store1 > 131.167109131 ) or 
       bondedto (attr store1 < 84.243  and attr store1 > 83.443 ) or 
       bondedto (attr store1 < 36.5188908686  and attr store1 > 35.7188908686 ))) 
6 0.1 0.1 peak 190 volume 35.24267 ppm1 2.335 ppm2 8.359
 
! ############### c13noe.191 folded +
assi (attr store1 < 8.178 and attr store1 > 8.078 )
     ((attr store1 < 2.368 and attr store1 > 2.308 ) and 
      (bondedto (attr store1 < 131.933109131  and attr store1 > 131.133109131 ) or 
       bondedto (attr store1 < 84.209  and attr store1 > 83.409 ) or 
       bondedto (attr store1 < 36.4848908686  and attr store1 > 35.6848908686 ))) 
6 0.1 0.1 peak 191 volume 10.48191 ppm1 2.338 ppm2 8.128
 
! ############### c13noe.192 folded +
assi (attr store1 < 4.338 and attr store1 > 4.238 )
     ((attr store1 < 2.362 and attr store1 > 2.302 ) and 
      (bondedto (attr store1 < 131.948109131  and attr store1 > 131.148109131 ) or 
       bondedto (attr store1 < 84.224  and attr store1 > 83.424 ) or 
       bondedto (attr store1 < 36.4998908686  and attr store1 > 35.6998908686 ))) 
6 0.1 0.1 peak 192 volume 17.70604 ppm1 2.332 ppm2 4.288
 
! ############### c13noe.193 folded +
assi (attr store1 < 4.119 and attr store1 > 4.019 )
     ((attr store1 < 2.361 and attr store1 > 2.301 ) and 
      (bondedto (attr store1 < 131.941109131  and attr store1 > 131.141109131 ) or 
       bondedto (attr store1 < 84.217  and attr store1 > 83.417 ) or 
       bondedto (attr store1 < 36.4928908686  and attr store1 > 35.6928908686 ))) 
6 0.1 0.1 peak 193 volume 49.13689 ppm1 2.331 ppm2 4.069
 
! ############### c13noe.194 folded +
assi (attr store1 < 1.752 and attr store1 > 1.652 )
     ((attr store1 < 2.362 and attr store1 > 2.302 ) and 
      (bondedto (attr store1 < 131.962109131  and attr store1 > 131.162109131 ) or 
       bondedto (attr store1 < 84.238  and attr store1 > 83.438 ) or 
       bondedto (attr store1 < 36.5138908686  and attr store1 > 35.7138908686 ))) 
6 0.1 0.1 peak 194 volume 26.61170 ppm1 2.332 ppm2 1.702
 
! ############### c13noe.195 folded +
assi (attr store1 < 4.735 and attr store1 > 4.635 )
     ((attr store1 < 2.356 and attr store1 > 2.296 ) and 
      (bondedto (attr store1 < 131.969109131  and attr store1 > 131.169109131 ) or 
       bondedto (attr store1 < 84.245  and attr store1 > 83.445 ) or 
       bondedto (attr store1 < 36.5208908686  and attr store1 > 35.7208908686 ))) 
6 0.1 0.1 peak 195 volume 7.88087 ppm1 2.326 ppm2 4.685
 
! ############### c13noe.196 folded +
assi (attr store1 < 1.235 and attr store1 > 1.135 )
     ((attr store1 < 1.482 and attr store1 > 1.422 ) and 
      (bondedto (attr store1 < 131.968109131  and attr store1 > 131.168109131 ) or 
       bondedto (attr store1 < 84.244  and attr store1 > 83.444 ) or 
       bondedto (attr store1 < 36.5198908686  and attr store1 > 35.7198908686 ))) 
6 0.1 0.1 peak 196 volume 16.31685 ppm1 1.452 ppm2 1.185
 
! ############### c13noe.197 folded +
assi (attr store1 < 1.506 and attr store1 > 1.406 )
     ((attr store1 < 1.217 and attr store1 > 1.157 ) and 
      (bondedto (attr store1 < 131.972109131  and attr store1 > 131.172109131 ) or 
       bondedto (attr store1 < 84.248  and attr store1 > 83.448 ) or 
       bondedto (attr store1 < 36.5238908686  and attr store1 > 35.7238908686 ))) 
6 0.1 0.1 peak 197 volume 16.92911 ppm1 1.187 ppm2 1.456
 
! ############### c13noe.198 folded -
assi (attr store1 < 8.852 and attr store1 > 8.752 )
     ((attr store1 < 4.164 and attr store1 > 4.104 ) and 
      (bondedto (attr store1 < 108.108054566  and attr store1 > 107.308054566 ) or 
       bondedto (attr store1 < 155.832163697  and attr store1 > 155.032163697) or 
       bondedto (attr store1 < 60.3839454343  and attr store1 > 59.5839454343 ))) 
6 0.1 0.1 peak 198 volume 12.85479 ppm1 4.134 ppm2 8.802
 
! ############### c13noe.199 folded -
assi (attr store1 < 8.423 and attr store1 > 8.323 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 108.070054566  and attr store1 > 107.270054566 ) or 
       bondedto (attr store1 < 155.794163697  and attr store1 > 154.994163697) or 
       bondedto (attr store1 < 60.3459454343  and attr store1 > 59.5459454343 ))) 
6 0.1 0.1 peak 199 volume 17.62668 ppm1 4.132 ppm2 8.373
 
! ############### c13noe.200 folded -
assi (attr store1 < 7.634 and attr store1 > 7.534 )
     ((attr store1 < 4.163 and attr store1 > 4.103 ) and 
      (bondedto (attr store1 < 108.101054566  and attr store1 > 107.301054566 ) or 
       bondedto (attr store1 < 155.825163697  and attr store1 > 155.025163697) or 
       bondedto (attr store1 < 60.3769454343  and attr store1 > 59.5769454343 ))) 
6 0.1 0.1 peak 200 volume 8.84433 ppm1 4.133 ppm2 7.584
 
! ############### c13noe.201 folded -
assi (attr store1 < 2.477 and attr store1 > 2.377 )
     ((attr store1 < 4.163 and attr store1 > 4.103 ) and 
      (bondedto (attr store1 < 108.060054566  and attr store1 > 107.260054566 ) or 
       bondedto (attr store1 < 155.784163697  and attr store1 > 154.984163697) or 
       bondedto (attr store1 < 60.3359454343  and attr store1 > 59.5359454343 ))) 
6 0.1 0.1 peak 201 volume 17.16697 ppm1 4.133 ppm2 2.427
 
! ############### c13noe.202 folded -
assi (attr store1 < 2.397 and attr store1 > 2.297 )
     ((attr store1 < 4.163 and attr store1 > 4.103 ) and 
      (bondedto (attr store1 < 108.055054566  and attr store1 > 107.255054566 ) or 
       bondedto (attr store1 < 155.779163697  and attr store1 > 154.979163697) or 
       bondedto (attr store1 < 60.3309454343  and attr store1 > 59.5309454343 ))) 
6 0.1 0.1 peak 202 volume 23.91277 ppm1 4.133 ppm2 2.347
 
! ############### c13noe.203 folded -
assi (attr store1 < 2.334 and attr store1 > 2.234 )
     ((attr store1 < 4.163 and attr store1 > 4.103 ) and 
      (bondedto (attr store1 < 108.067054566  and attr store1 > 107.267054566 ) or 
       bondedto (attr store1 < 155.791163697  and attr store1 > 154.991163697) or 
       bondedto (attr store1 < 60.3429454343  and attr store1 > 59.5429454343 ))) 
6 0.1 0.1 peak 203 volume 29.99076 ppm1 4.133 ppm2 2.284
 
! ############### c13noe.204 folded -
assi (attr store1 < 2.271 and attr store1 > 2.171 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 108.070054566  and attr store1 > 107.270054566 ) or 
       bondedto (attr store1 < 155.794163697  and attr store1 > 154.994163697) or 
       bondedto (attr store1 < 60.3459454343  and attr store1 > 59.5459454343 ))) 
6 0.1 0.1 peak 204 volume 32.03726 ppm1 4.132 ppm2 2.221
 
! ############### c13noe.205 folded -
assi (attr store1 < 2.186 and attr store1 > 2.086 )
     ((attr store1 < 4.161 and attr store1 > 4.101 ) and 
      (bondedto (attr store1 < 108.083054566  and attr store1 > 107.283054566 ) or 
       bondedto (attr store1 < 155.807163697  and attr store1 > 155.007163697) or 
       bondedto (attr store1 < 60.3589454343  and attr store1 > 59.5589454343 ))) 
6 0.1 0.1 peak 205 volume 36.57959 ppm1 4.131 ppm2 2.136
 
! ############### c13noe.206 folded -
assi (attr store1 < 1.785 and attr store1 > 1.685 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 108.089054566  and attr store1 > 107.289054566 ) or 
       bondedto (attr store1 < 155.813163697  and attr store1 > 155.013163697) or 
       bondedto (attr store1 < 60.3649454343  and attr store1 > 59.5649454343 ))) 
6 0.1 0.1 peak 206 volume 16.47192 ppm1 4.132 ppm2 1.735
 
! ############### c13noe.207 folded -
assi (attr store1 < 1.695 and attr store1 > 1.595 )
     ((attr store1 < 4.157 and attr store1 > 4.097 ) and 
      (bondedto (attr store1 < 108.078054566  and attr store1 > 107.278054566 ) or 
       bondedto (attr store1 < 155.802163697  and attr store1 > 155.002163697) or 
       bondedto (attr store1 < 60.3539454343  and attr store1 > 59.5539454343 ))) 
6 0.1 0.1 peak 207 volume 8.09205 ppm1 4.127 ppm2 1.645
 
! ############### c13noe.208 folded -
assi (attr store1 < 1.452 and attr store1 > 1.352 )
     ((attr store1 < 4.099 and attr store1 > 4.039 ) and 
      (bondedto (attr store1 < 108.037054566  and attr store1 > 107.237054566 ) or 
       bondedto (attr store1 < 155.761163697  and attr store1 > 154.961163697) or 
       bondedto (attr store1 < 60.3129454343  and attr store1 > 59.5129454343 ))) 
6 0.1 0.1 peak 208 volume 16.71139 ppm1 4.069 ppm2 1.402
 
! ############### c13noe.209 folded -
assi (attr store1 < 1.923 and attr store1 > 1.823 )
     ((attr store1 < 4.08 and attr store1 > 4.02 ) and 
      (bondedto (attr store1 < 108.062054566  and attr store1 > 107.262054566 ) or 
       bondedto (attr store1 < 155.786163697  and attr store1 > 154.986163697) or 
       bondedto (attr store1 < 60.3379454343  and attr store1 > 59.5379454343 ))) 
6 0.1 0.1 peak 209 volume 18.47406 ppm1 4.050 ppm2 1.873
 
! ############### c13noe.210 folded -
assi (attr store1 < 7.64 and attr store1 > 7.54 )
     ((attr store1 < 4.076 and attr store1 > 4.016 ) and 
      (bondedto (attr store1 < 108.074054566  and attr store1 > 107.274054566 ) or 
       bondedto (attr store1 < 155.798163697  and attr store1 > 154.998163697) or 
       bondedto (attr store1 < 60.3499454343  and attr store1 > 59.5499454343 ))) 
6 0.1 0.1 peak 210 volume 21.4697 ppm1 4.046 ppm2 7.590
 
! ############### c13noe.211 folded -
assi (attr store1 < 2.522 and attr store1 > 2.422 )
     ((attr store1 < 4.074 and attr store1 > 4.014 ) and 
      (bondedto (attr store1 < 108.031054566  and attr store1 > 107.231054566 ) or 
       bondedto (attr store1 < 155.755163697  and attr store1 > 154.955163697) or 
       bondedto (attr store1 < 60.3069454343  and attr store1 > 59.5069454343 ))) 
6 0.1 0.1 peak 211 volume 15.46167 ppm1 4.044 ppm2 2.472
 
! ############### c13noe.212 folded -
assi (attr store1 < 1.832 and attr store1 > 1.732 )
     ((attr store1 < 4.076 and attr store1 > 4.016 ) and 
      (bondedto (attr store1 < 108.027054566  and attr store1 > 107.227054566 ) or 
       bondedto (attr store1 < 155.751163697  and attr store1 > 154.951163697) or 
       bondedto (attr store1 < 60.3029454343  and attr store1 > 59.5029454343 ))) 
6 0.1 0.1 peak 212 volume 12.77102 ppm1 4.046 ppm2 1.782
 
! ############### c13noe.213 folded -
assi (attr store1 < 1.593 and attr store1 > 1.493 )
     ((attr store1 < 4.076 and attr store1 > 4.016 ) and 
      (bondedto (attr store1 < 108.059054566  and attr store1 > 107.259054566 ) or 
       bondedto (attr store1 < 155.783163697  and attr store1 > 154.983163697) or 
       bondedto (attr store1 < 60.3349454343  and attr store1 > 59.5349454343 ))) 
6 0.1 0.1 peak 213 volume 16.52709 ppm1 4.046 ppm2 1.543
 
! ############### c13noe.214 folded -
assi (attr store1 < 8.86 and attr store1 > 8.76 )
     ((attr store1 < 4.072 and attr store1 > 4.012 ) and 
      (bondedto (attr store1 < 108.040054566  and attr store1 > 107.240054566 ) or 
       bondedto (attr store1 < 155.764163697  and attr store1 > 154.964163697) or 
       bondedto (attr store1 < 60.3159454343  and attr store1 > 59.5159454343 ))) 
6 0.1 0.1 peak 214 volume 11.18546 ppm1 4.042 ppm2 8.810
 
! ############### c13noe.215 folded -
assi (attr store1 < 1.717 and attr store1 > 1.617 )
     ((attr store1 < 4.057 and attr store1 > 3.997 ) and 
      (bondedto (attr store1 < 108.072054566  and attr store1 > 107.272054566 ) or 
       bondedto (attr store1 < 155.796163697  and attr store1 > 154.996163697) or 
       bondedto (attr store1 < 60.3479454343  and attr store1 > 59.5479454343 ))) 
6 0.1 0.1 peak 215 volume 10.26339 ppm1 4.027 ppm2 1.667
 
! ############### c13noe.216 folded -
assi (attr store1 < 1.585 and attr store1 > 1.485 )
     ((attr store1 < 4.053 and attr store1 > 3.993 ) and 
      (bondedto (attr store1 < 108.051054566  and attr store1 > 107.251054566 ) or 
       bondedto (attr store1 < 155.775163697  and attr store1 > 154.975163697) or 
       bondedto (attr store1 < 60.3269454343  and attr store1 > 59.5269454343 ))) 
6 0.1 0.1 peak 216 volume 13.53611 ppm1 4.023 ppm2 1.535
 
! ############### c13noe.217 folded -
assi (attr store1 < 2.431 and attr store1 > 2.331 )
     ((attr store1 < 4.034 and attr store1 > 3.974 ) and 
      (bondedto (attr store1 < 108.088054566  and attr store1 > 107.288054566 ) or 
       bondedto (attr store1 < 155.812163697  and attr store1 > 155.012163697) or 
       bondedto (attr store1 < 60.3639454343  and attr store1 > 59.5639454343 ))) 
6 0.1 0.1 peak 217 volume 9.29639 ppm1 4.004 ppm2 2.381
 
! ############### c13noe.218 folded -
assi (attr store1 < 2.942 and attr store1 > 2.842 )
     ((attr store1 < 4.011 and attr store1 > 3.951 ) and 
      (bondedto (attr store1 < 108.041054566  and attr store1 > 107.241054566 ) or 
       bondedto (attr store1 < 155.765163697  and attr store1 > 154.965163697) or 
       bondedto (attr store1 < 60.3169454343  and attr store1 > 59.5169454343 ))) 
6 0.1 0.1 peak 218 volume 11.11298 ppm1 3.981 ppm2 2.892
 
! ############### c13noe.219 folded -
assi (attr store1 < 1.587 and attr store1 > 1.487 )
     ((attr store1 < 3.916 and attr store1 > 3.856 ) and 
      (bondedto (attr store1 < 108.060054566  and attr store1 > 107.260054566 ) or 
       bondedto (attr store1 < 155.784163697  and attr store1 > 154.984163697) or 
       bondedto (attr store1 < 60.3359454343  and attr store1 > 59.5359454343 ))) 
6 0.1 0.1 peak 219 volume 7.0063 ppm1 3.886 ppm2 1.537
 
! ############### c13noe.220 folded -
assi (attr store1 < 2.652 and attr store1 > 2.552 )
     ((attr store1 < 3.897 and attr store1 > 3.837 ) and 
      (bondedto (attr store1 < 108.092054566  and attr store1 > 107.292054566 ) or 
       bondedto (attr store1 < 155.816163697  and attr store1 > 155.016163697) or 
       bondedto (attr store1 < 60.3679454343  and attr store1 > 59.5679454343 ))) 
6 0.1 0.1 peak 220 volume 9.95359 ppm1 3.867 ppm2 2.602
 
! ############### c13noe.221 folded -
assi (attr store1 < 8.35 and attr store1 > 8.25 )
     ((attr store1 < 3.892 and attr store1 > 3.832 ) and 
      (bondedto (attr store1 < 108.115054566  and attr store1 > 107.315054566 ) or 
       bondedto (attr store1 < 155.839163697  and attr store1 > 155.039163697) or 
       bondedto (attr store1 < 60.3909454343  and attr store1 > 59.5909454343 ))) 
6 0.1 0.1 peak 221 volume 11.74296 ppm1 3.862 ppm2 8.300
 
! ############### c13noe.222 folded -
assi (attr store1 < 1.914 and attr store1 > 1.814 )
     ((attr store1 < 3.894 and attr store1 > 3.834 ) and 
      (bondedto (attr store1 < 108.098054566  and attr store1 > 107.298054566 ) or 
       bondedto (attr store1 < 155.822163697  and attr store1 > 155.022163697) or 
       bondedto (attr store1 < 60.3739454343  and attr store1 > 59.5739454343 ))) 
6 0.1 0.1 peak 222 volume 19.28607 ppm1 3.864 ppm2 1.864
 
! ############### c13noe.223 folded -
assi (attr store1 < 0.944 and attr store1 > 0.844 )
     ((attr store1 < 3.894 and attr store1 > 3.834 ) and 
      (bondedto (attr store1 < 108.100054566  and attr store1 > 107.300054566 ) or 
       bondedto (attr store1 < 155.824163697  and attr store1 > 155.024163697) or 
       bondedto (attr store1 < 60.3759454343  and attr store1 > 59.5759454343 ))) 
6 0.1 0.1 peak 223 volume 24.26657 ppm1 3.864 ppm2 0.894
 
! ############### c13noe.224 folded +
assi (attr store1 < 0.946 and attr store1 > 0.846 )
     ((attr store1 < 2.503 and attr store1 > 2.443 ) and 
      (bondedto (attr store1 < 131.882109131  and attr store1 > 131.082109131 ) or 
       bondedto (attr store1 < 84.158  and attr store1 > 83.358 ) or 
       bondedto (attr store1 < 36.4338908686  and attr store1 > 35.6338908686 ))) 
6 0.1 0.1 peak 224 volume 12.53314 ppm1 2.473 ppm2 0.896
 
! ############### c13noe.225 folded +
assi (attr store1 < 4.327 and attr store1 > 4.227 )
     ((attr store1 < 2.437 and attr store1 > 2.377 ) and 
      (bondedto (attr store1 < 131.857109131  and attr store1 > 131.057109131 ) or 
       bondedto (attr store1 < 84.133  and attr store1 > 83.333 ) or 
       bondedto (attr store1 < 36.4088908686  and attr store1 > 35.6088908686 ))) 
6 0.1 0.1 peak 225 volume 13.03679 ppm1 2.407 ppm2 4.277
 
! ############### c13noe.226 folded +
assi (attr store1 < 4.098 and attr store1 > 3.998 )
     ((attr store1 < 2.432 and attr store1 > 2.372 ) and 
      (bondedto (attr store1 < 131.879109131  and attr store1 > 131.079109131 ) or 
       bondedto (attr store1 < 84.155  and attr store1 > 83.355 ) or 
       bondedto (attr store1 < 36.4308908686  and attr store1 > 35.6308908686 ))) 
6 0.1 0.1 peak 226 volume 24.91647 ppm1 2.402 ppm2 4.048
 
! ############### c13noe.227 folded -
assi (attr store1 < 1.927 and attr store1 > 1.827 )
     ((attr store1 < 4.234 and attr store1 > 4.174 ) and 
      (bondedto (attr store1 < 107.989054566  and attr store1 > 107.189054566 ) or 
       bondedto (attr store1 < 155.713163697  and attr store1 > 154.913163697) or 
       bondedto (attr store1 < 60.2649454343  and attr store1 > 59.4649454343 ))) 
6 0.1 0.1 peak 227 volume 10.23594 ppm1 4.204 ppm2 1.877
 
! ############### c13noe.228 folded -
assi (attr store1 < 7.817 and attr store1 > 7.717 )
     ((attr store1 < 4.164 and attr store1 > 4.104 ) and 
      (bondedto (attr store1 < 108.005054566  and attr store1 > 107.205054566 ) or 
       bondedto (attr store1 < 155.729163697  and attr store1 > 154.929163697) or 
       bondedto (attr store1 < 60.2809454343  and attr store1 > 59.4809454343 ))) 
6 0.1 0.1 peak 228 volume 7.05297 ppm1 4.134 ppm2 7.767
 
! ############### c13noe.229 folded -
assi (attr store1 < 1.935 and attr store1 > 1.835 )
     ((attr store1 < 4.113 and attr store1 > 4.053 ) and 
      (bondedto (attr store1 < 108.013054566  and attr store1 > 107.213054566 ) or 
       bondedto (attr store1 < 155.737163697  and attr store1 > 154.937163697) or 
       bondedto (attr store1 < 60.2889454343  and attr store1 > 59.4889454343 ))) 
6 0.1 0.1 peak 229 volume 13.76296 ppm1 4.083 ppm2 1.885
 
! ############### c13noe.230 folded -
assi (attr store1 < 8.409 and attr store1 > 8.309 )
     ((attr store1 < 4.108 and attr store1 > 4.048 ) and 
      (bondedto (attr store1 < 107.933054566  and attr store1 > 107.133054566 ) or 
       bondedto (attr store1 < 155.657163697  and attr store1 > 154.857163697) or 
       bondedto (attr store1 < 60.2089454343  and attr store1 > 59.4089454343 ))) 
6 0.1 0.1 peak 230 volume 27.06206 ppm1 4.078 ppm2 8.359
 
! ############### c13noe.231 folded -
assi (attr store1 < 8.482 and attr store1 > 8.382 )
     ((attr store1 < 4.105 and attr store1 > 4.045 ) and 
      (bondedto (attr store1 < 108.002054566  and attr store1 > 107.202054566 ) or 
       bondedto (attr store1 < 155.726163697  and attr store1 > 154.926163697) or 
       bondedto (attr store1 < 60.2779454343  and attr store1 > 59.4779454343 ))) 
6 0.1 0.1 peak 231 volume 18.64642 ppm1 4.075 ppm2 8.432
 
! ############### c13noe.232 folded -
assi (attr store1 < 3.532 and attr store1 > 3.432 )
     ((attr store1 < 4.1 and attr store1 > 4.04 ) and 
      (bondedto (attr store1 < 107.969054566  and attr store1 > 107.169054566 ) or 
       bondedto (attr store1 < 155.693163697  and attr store1 > 154.893163697) or 
       bondedto (attr store1 < 60.2449454343  and attr store1 > 59.4449454343 ))) 
6 0.1 0.1 peak 232 volume 21.01959 ppm1 4.070 ppm2 3.482
 
! ############### c13noe.233 folded -
assi (attr store1 < 0.988 and attr store1 > 0.888 )
     ((attr store1 < 4.103 and attr store1 > 4.043 ) and 
      (bondedto (attr store1 < 107.964054566  and attr store1 > 107.164054566 ) or 
       bondedto (attr store1 < 155.688163697  and attr store1 > 154.888163697) or 
       bondedto (attr store1 < 60.2399454343  and attr store1 > 59.4399454343 ))) 
6 0.1 0.1 peak 233 volume 37.48502 ppm1 4.073 ppm2 0.938
 
! ############### c13noe.234 folded -
assi (attr store1 < 0.928 and attr store1 > 0.828 )
     ((attr store1 < 4.101 and attr store1 > 4.041 ) and 
      (bondedto (attr store1 < 107.996054566  and attr store1 > 107.196054566 ) or 
       bondedto (attr store1 < 155.720163697  and attr store1 > 154.920163697) or 
       bondedto (attr store1 < 60.2719454343  and attr store1 > 59.4719454343 ))) 
6 0.1 0.1 peak 234 volume 45.01615 ppm1 4.071 ppm2 0.878
 
! ############### c13noe.235 folded -
assi (attr store1 < 7.947 and attr store1 > 7.847 )
     ((attr store1 < 4.097 and attr store1 > 4.037 ) and 
      (bondedto (attr store1 < 108.003054566  and attr store1 > 107.203054566 ) or 
       bondedto (attr store1 < 155.727163697  and attr store1 > 154.927163697) or 
       bondedto (attr store1 < 60.2789454343  and attr store1 > 59.4789454343 ))) 
6 0.1 0.1 peak 235 volume 7.76662 ppm1 4.067 ppm2 7.897
 
! ############### c13noe.236 folded -
assi (attr store1 < 7.031 and attr store1 > 6.931 )
     ((attr store1 < 4.098 and attr store1 > 4.038 ) and 
      (bondedto (attr store1 < 107.997054566  and attr store1 > 107.197054566 ) or 
       bondedto (attr store1 < 155.721163697  and attr store1 > 154.921163697) or 
       bondedto (attr store1 < 60.2729454343  and attr store1 > 59.4729454343 ))) 
6 0.1 0.1 peak 236 volume 7.11308 ppm1 4.068 ppm2 6.981
 
! ############### c13noe.237 folded -
assi (attr store1 < 0.936 and attr store1 > 0.836 )
     ((attr store1 < 4.088 and attr store1 > 4.028 ) and 
      (bondedto (attr store1 < 108.012054566  and attr store1 > 107.212054566 ) or 
       bondedto (attr store1 < 155.736163697  and attr store1 > 154.936163697) or 
       bondedto (attr store1 < 60.2879454343  and attr store1 > 59.4879454343 ))) 
6 0.1 0.1 peak 237 volume 43.51986 ppm1 4.058 ppm2 0.886
 
! ############### c13noe.238 folded -
assi (attr store1 < 7.344 and attr store1 > 7.244 )
     ((attr store1 < 4.068 and attr store1 > 4.008 ) and 
      (bondedto (attr store1 < 108.002054566  and attr store1 > 107.202054566 ) or 
       bondedto (attr store1 < 155.726163697  and attr store1 > 154.926163697) or 
       bondedto (attr store1 < 60.2779454343  and attr store1 > 59.4779454343 ))) 
6 0.1 0.1 peak 238 volume 8.70428 ppm1 4.038 ppm2 7.294
 
! ############### c13noe.239 folded -
assi (attr store1 < 2.638 and attr store1 > 2.538 )
     ((attr store1 < 4.018 and attr store1 > 3.958 ) and 
      (bondedto (attr store1 < 108.024054566  and attr store1 > 107.224054566 ) or 
       bondedto (attr store1 < 155.748163697  and attr store1 > 154.948163697) or 
       bondedto (attr store1 < 60.2999454343  and attr store1 > 59.4999454343 ))) 
6 0.1 0.1 peak 239 volume 9.76822 ppm1 3.988 ppm2 2.588
 
! ############### c13noe.240 folded -
assi (attr store1 < 8.158 and attr store1 > 8.058 )
     ((attr store1 < 4.015 and attr store1 > 3.955 ) and 
      (bondedto (attr store1 < 108.018054566  and attr store1 > 107.218054566 ) or 
       bondedto (attr store1 < 155.742163697  and attr store1 > 154.942163697) or 
       bondedto (attr store1 < 60.2939454343  and attr store1 > 59.4939454343 ))) 
6 0.1 0.1 peak 240 volume 16.74896 ppm1 3.985 ppm2 8.108
 
! ############### c13noe.241 folded -
assi (attr store1 < 7.664 and attr store1 > 7.564 )
     ((attr store1 < 4.017 and attr store1 > 3.957 ) and 
      (bondedto (attr store1 < 108.011054566  and attr store1 > 107.211054566 ) or 
       bondedto (attr store1 < 155.735163697  and attr store1 > 154.935163697) or 
       bondedto (attr store1 < 60.2869454343  and attr store1 > 59.4869454343 ))) 
6 0.1 0.1 peak 241 volume 11.26101 ppm1 3.987 ppm2 7.614
 
! ############### c13noe.242 folded -
assi (attr store1 < 2.215 and attr store1 > 2.115 )
     ((attr store1 < 3.895 and attr store1 > 3.835 ) and 
      (bondedto (attr store1 < 108.001054566  and attr store1 > 107.201054566 ) or 
       bondedto (attr store1 < 155.725163697  and attr store1 > 154.925163697) or 
       bondedto (attr store1 < 60.2769454343  and attr store1 > 59.4769454343 ))) 
6 0.1 0.1 peak 242 volume 8.80988 ppm1 3.865 ppm2 2.165
 
! ############### c13noe.243 folded +
assi (attr store1 < 1.883 and attr store1 > 1.783 )
     ((attr store1 < 2.861 and attr store1 > 2.801 ) and 
      (bondedto (attr store1 < 131.759109131  and attr store1 > 130.959109131 ) or 
       bondedto (attr store1 < 84.035  and attr store1 > 83.235 ) or 
       bondedto (attr store1 < 36.3108908686  and attr store1 > 35.5108908686 ))) 
6 0.1 0.1 peak 243 volume 17.17865 ppm1 2.831 ppm2 1.833
 
! ############### c13noe.244 folded +
assi (attr store1 < 0.977 and attr store1 > 0.877 )
     ((attr store1 < 2.854 and attr store1 > 2.794 ) and 
      (bondedto (attr store1 < 131.784109131  and attr store1 > 130.984109131 ) or 
       bondedto (attr store1 < 84.06  and attr store1 > 83.26 ) or 
       bondedto (attr store1 < 36.3358908686  and attr store1 > 35.5358908686 ))) 
6 0.1 0.1 peak 244 volume 8.18051 ppm1 2.824 ppm2 0.927
 
! ############### c13noe.245 folded +
assi (attr store1 < 0.876 and attr store1 > 0.776 )
     ((attr store1 < 2.853 and attr store1 > 2.793 ) and 
      (bondedto (attr store1 < 131.753109131  and attr store1 > 130.953109131 ) or 
       bondedto (attr store1 < 84.029  and attr store1 > 83.229 ) or 
       bondedto (attr store1 < 36.3048908686  and attr store1 > 35.5048908686 ))) 
6 0.1 0.1 peak 245 volume 12.31656 ppm1 2.823 ppm2 0.826
 
! ############### c13noe.246 folded +
assi (attr store1 < 8.354 and attr store1 > 8.254 )
     ((attr store1 < 2.851 and attr store1 > 2.791 ) and 
      (bondedto (attr store1 < 131.736109131  and attr store1 > 130.936109131 ) or 
       bondedto (attr store1 < 84.012  and attr store1 > 83.212 ) or 
       bondedto (attr store1 < 36.2878908686  and attr store1 > 35.4878908686 ))) 
6 0.1 0.1 peak 246 volume 7.27322 ppm1 2.821 ppm2 8.304
 
! ############### c13noe.247 folded +
assi (attr store1 < 4.508 and attr store1 > 4.408 )
     ((attr store1 < 2.338 and attr store1 > 2.278 ) and 
      (bondedto (attr store1 < 131.744109131  and attr store1 > 130.944109131 ) or 
       bondedto (attr store1 < 84.02  and attr store1 > 83.22 ) or 
       bondedto (attr store1 < 36.2958908686  and attr store1 > 35.4958908686 ))) 
6 0.1 0.1 peak 247 volume 8.51584 ppm1 2.308 ppm2 4.458
 
! ############### c13noe.248 folded +
assi (attr store1 < 8.076 and attr store1 > 7.976 )
     ((attr store1 < 2.324 and attr store1 > 2.264 ) and 
      (bondedto (attr store1 < 131.718109131  and attr store1 > 130.918109131 ) or 
       bondedto (attr store1 < 83.994  and attr store1 > 83.194 ) or 
       bondedto (attr store1 < 36.2698908686  and attr store1 > 35.4698908686 ))) 
6 0.1 0.1 peak 248 volume 19.12763 ppm1 2.294 ppm2 8.026
 
! ############### c13noe.249 folded +
assi (attr store1 < 0.974 and attr store1 > 0.874 )
     ((attr store1 < 1.86 and attr store1 > 1.8 ) and 
      (bondedto (attr store1 < 131.757109131  and attr store1 > 130.957109131 ) or 
       bondedto (attr store1 < 84.033  and attr store1 > 83.233 ) or 
       bondedto (attr store1 < 36.3088908686  and attr store1 > 35.5088908686 ))) 
6 0.1 0.1 peak 249 volume 6.70784 ppm1 1.830 ppm2 0.924
 
! ############### c13noe.250 folded +
assi (attr store1 < 0.877 and attr store1 > 0.777 )
     ((attr store1 < 1.853 and attr store1 > 1.793 ) and 
      (bondedto (attr store1 < 131.761109131  and attr store1 > 130.961109131 ) or 
       bondedto (attr store1 < 84.037  and attr store1 > 83.237 ) or 
       bondedto (attr store1 < 36.3128908686  and attr store1 > 35.5128908686 ))) 
6 0.1 0.1 peak 250 volume 15.25841 ppm1 1.823 ppm2 0.827
 
! ############### c13noe.251 folded +
assi (attr store1 < 2.871 and attr store1 > 2.771 )
     ((attr store1 < 1.85 and attr store1 > 1.79 ) and 
      (bondedto (attr store1 < 131.753109131  and attr store1 > 130.953109131 ) or 
       bondedto (attr store1 < 84.029  and attr store1 > 83.229 ) or 
       bondedto (attr store1 < 36.3048908686  and attr store1 > 35.5048908686 ))) 
6 0.1 0.1 peak 251 volume 17.67233 ppm1 1.820 ppm2 2.821
 
! ############### c13noe.252 folded -
assi (attr store1 < 3.372 and attr store1 > 3.272 )
     ((attr store1 < 4.248 and attr store1 > 4.188 ) and 
      (bondedto (attr store1 < 107.893054566  and attr store1 > 107.093054566 ) or 
       bondedto (attr store1 < 155.617163697  and attr store1 > 154.817163697) or 
       bondedto (attr store1 < 60.1689454343  and attr store1 > 59.3689454343 ))) 
6 0.1 0.1 peak 252 volume 7.73483 ppm1 4.218 ppm2 3.322
 
! ############### c13noe.253 folded -
assi (attr store1 < 3.31 and attr store1 > 3.21 )
     ((attr store1 < 4.243 and attr store1 > 4.183 ) and 
      (bondedto (attr store1 < 107.860054566  and attr store1 > 107.060054566 ) or 
       bondedto (attr store1 < 155.584163697  and attr store1 > 154.784163697) or 
       bondedto (attr store1 < 60.1359454343  and attr store1 > 59.3359454343 ))) 
6 0.1 0.1 peak 253 volume 7.88136 ppm1 4.213 ppm2 3.260
 
! ############### c13noe.254 folded -
assi (attr store1 < 8.853 and attr store1 > 8.753 )
     ((attr store1 < 4.242 and attr store1 > 4.182 ) and 
      (bondedto (attr store1 < 107.916054566  and attr store1 > 107.116054566 ) or 
       bondedto (attr store1 < 155.640163697  and attr store1 > 154.840163697) or 
       bondedto (attr store1 < 60.1919454343  and attr store1 > 59.3919454343 ))) 
6 0.1 0.1 peak 254 volume 8.35244 ppm1 4.212 ppm2 8.803
 
! ############### c13noe.255 folded -
assi (attr store1 < 8.772 and attr store1 > 8.672 )
     ((attr store1 < 4.24 and attr store1 > 4.18 ) and 
      (bondedto (attr store1 < 107.862054566  and attr store1 > 107.062054566 ) or 
       bondedto (attr store1 < 155.586163697  and attr store1 > 154.786163697) or 
       bondedto (attr store1 < 60.1379454343  and attr store1 > 59.3379454343 ))) 
6 0.1 0.1 peak 255 volume 14.71999 ppm1 4.210 ppm2 8.722
 
! ############### c13noe.256 folded -
assi (attr store1 < 2.2 and attr store1 > 2.1 )
     ((attr store1 < 4.241 and attr store1 > 4.181 ) and 
      (bondedto (attr store1 < 107.906054566  and attr store1 > 107.106054566 ) or 
       bondedto (attr store1 < 155.630163697  and attr store1 > 154.830163697) or 
       bondedto (attr store1 < 60.1819454343  and attr store1 > 59.3819454343 ))) 
6 0.1 0.1 peak 256 volume 18.23713 ppm1 4.211 ppm2 2.150
 
! ############### c13noe.257 folded -
assi (attr store1 < 2.007 and attr store1 > 1.907 )
     ((attr store1 < 4.239 and attr store1 > 4.179 ) and 
      (bondedto (attr store1 < 107.886054566  and attr store1 > 107.086054566 ) or 
       bondedto (attr store1 < 155.610163697  and attr store1 > 154.810163697) or 
       bondedto (attr store1 < 60.1619454343  and attr store1 > 59.3619454343 ))) 
6 0.1 0.1 peak 257 volume 41.39193 ppm1 4.209 ppm2 1.957
 
! ############### c13noe.258 folded -
assi (attr store1 < 1.807 and attr store1 > 1.707 )
     ((attr store1 < 4.239 and attr store1 > 4.179 ) and 
      (bondedto (attr store1 < 107.898054566  and attr store1 > 107.098054566 ) or 
       bondedto (attr store1 < 155.622163697  and attr store1 > 154.822163697) or 
       bondedto (attr store1 < 60.1739454343  and attr store1 > 59.3739454343 ))) 
6 0.1 0.1 peak 258 volume 18.88326 ppm1 4.209 ppm2 1.757
 
! ############### c13noe.259 folded -
assi (attr store1 < 8.279 and attr store1 > 8.179 )
     ((attr store1 < 4.237 and attr store1 > 4.177 ) and 
      (bondedto (attr store1 < 107.909054566  and attr store1 > 107.109054566 ) or 
       bondedto (attr store1 < 155.633163697  and attr store1 > 154.833163697) or 
       bondedto (attr store1 < 60.1849454343  and attr store1 > 59.3849454343 ))) 
6 0.1 0.1 peak 259 volume 8.49861 ppm1 4.207 ppm2 8.229
 
! ############### c13noe.260 folded -
assi (attr store1 < 2.329 and attr store1 > 2.229 )
     ((attr store1 < 4.236 and attr store1 > 4.176 ) and 
      (bondedto (attr store1 < 107.873054566  and attr store1 > 107.073054566 ) or 
       bondedto (attr store1 < 155.597163697  and attr store1 > 154.797163697) or 
       bondedto (attr store1 < 60.1489454343  and attr store1 > 59.3489454343 ))) 
6 0.1 0.1 peak 260 volume 21.16112 ppm1 4.206 ppm2 2.279
 
! ############### c13noe.261 folded -
assi (attr store1 < 2.107 and attr store1 > 2.007 )
     ((attr store1 < 4.235 and attr store1 > 4.175 ) and 
      (bondedto (attr store1 < 107.867054566  and attr store1 > 107.067054566 ) or 
       bondedto (attr store1 < 155.591163697  and attr store1 > 154.791163697) or 
       bondedto (attr store1 < 60.1429454343  and attr store1 > 59.3429454343 ))) 
6 0.1 0.1 peak 261 volume 10.7885 ppm1 4.205 ppm2 2.057
 
! ############### c13noe.262 folded -
assi (attr store1 < 1.751 and attr store1 > 1.651 )
     ((attr store1 < 4.233 and attr store1 > 4.173 ) and 
      (bondedto (attr store1 < 107.904054566  and attr store1 > 107.104054566 ) or 
       bondedto (attr store1 < 155.628163697  and attr store1 > 154.828163697) or 
       bondedto (attr store1 < 60.1799454343  and attr store1 > 59.3799454343 ))) 
6 0.1 0.1 peak 262 volume 13.50064 ppm1 4.203 ppm2 1.701
 
! ############### c13noe.263 folded -
assi (attr store1 < 2.266 and attr store1 > 2.166 )
     ((attr store1 < 4.216 and attr store1 > 4.156 ) and 
      (bondedto (attr store1 < 107.887054566  and attr store1 > 107.087054566 ) or 
       bondedto (attr store1 < 155.611163697  and attr store1 > 154.811163697) or 
       bondedto (attr store1 < 60.1629454343  and attr store1 > 59.3629454343 ))) 
6 0.1 0.1 peak 263 volume 15.23785 ppm1 4.186 ppm2 2.216
 
! ############### c13noe.264 folded -
assi (attr store1 < 2.429 and attr store1 > 2.329 )
     ((attr store1 < 4.211 and attr store1 > 4.151 ) and 
      (bondedto (attr store1 < 107.869054566  and attr store1 > 107.069054566 ) or 
       bondedto (attr store1 < 155.593163697  and attr store1 > 154.793163697) or 
       bondedto (attr store1 < 60.1449454343  and attr store1 > 59.3449454343 ))) 
6 0.1 0.1 peak 264 volume 6.92528 ppm1 4.181 ppm2 2.379
 
! ############### c13noe.265 folded -
assi (attr store1 < 2.455 and attr store1 > 2.355 )
     ((attr store1 < 4.207 and attr store1 > 4.147 ) and 
      (bondedto (attr store1 < 107.903054566  and attr store1 > 107.103054566 ) or 
       bondedto (attr store1 < 155.627163697  and attr store1 > 154.827163697) or 
       bondedto (attr store1 < 60.1789454343  and attr store1 > 59.3789454343 ))) 
6 0.1 0.1 peak 265 volume 6.98109 ppm1 4.177 ppm2 2.405
 
! ############### c13noe.266 folded -
assi (attr store1 < 8.285 and attr store1 > 8.185 )
     ((attr store1 < 4.133 and attr store1 > 4.073 ) and 
      (bondedto (attr store1 < 107.866054566  and attr store1 > 107.066054566 ) or 
       bondedto (attr store1 < 155.590163697  and attr store1 > 154.790163697) or 
       bondedto (attr store1 < 60.1419454343  and attr store1 > 59.3419454343 ))) 
6 0.1 0.1 peak 266 volume 20.60915 ppm1 4.103 ppm2 8.235
 
! ############### c13noe.267 folded -
assi (attr store1 < 7.854 and attr store1 > 7.754 )
     ((attr store1 < 4.131 and attr store1 > 4.071 ) and 
      (bondedto (attr store1 < 107.859054566  and attr store1 > 107.059054566 ) or 
       bondedto (attr store1 < 155.583163697  and attr store1 > 154.783163697) or 
       bondedto (attr store1 < 60.1349454343  and attr store1 > 59.3349454343 ))) 
6 0.1 0.1 peak 267 volume 9.319 ppm1 4.101 ppm2 7.804
 
! ############### c13noe.268 folded -
assi (attr store1 < 2.764 and attr store1 > 2.664 )
     ((attr store1 < 4.127 and attr store1 > 4.067 ) and 
      (bondedto (attr store1 < 107.902054566  and attr store1 > 107.102054566 ) or 
       bondedto (attr store1 < 155.626163697  and attr store1 > 154.826163697) or 
       bondedto (attr store1 < 60.1779454343  and attr store1 > 59.3779454343 ))) 
6 0.1 0.1 peak 268 volume 7.9467 ppm1 4.097 ppm2 2.714
 
! ############### c13noe.269 folded -
assi (attr store1 < 2.239 and attr store1 > 2.139 )
     ((attr store1 < 4.129 and attr store1 > 4.069 ) and 
      (bondedto (attr store1 < 107.856054566  and attr store1 > 107.056054566 ) or 
       bondedto (attr store1 < 155.580163697  and attr store1 > 154.780163697) or 
       bondedto (attr store1 < 60.1319454343  and attr store1 > 59.3319454343 ))) 
6 0.1 0.1 peak 269 volume 51.59373 ppm1 4.099 ppm2 2.189
 
! ############### c13noe.270 folded -
assi (attr store1 < 2.162 and attr store1 > 2.062 )
     ((attr store1 < 4.125 and attr store1 > 4.065 ) and 
      (bondedto (attr store1 < 107.865054566  and attr store1 > 107.065054566 ) or 
       bondedto (attr store1 < 155.589163697  and attr store1 > 154.789163697) or 
       bondedto (attr store1 < 60.1409454343  and attr store1 > 59.3409454343 ))) 
6 0.1 0.1 peak 270 volume 56.04634 ppm1 4.095 ppm2 2.112
 
! ############### c13noe.271 folded -
assi (attr store1 < 1.751 and attr store1 > 1.651 )
     ((attr store1 < 4.12 and attr store1 > 4.06 ) and 
      (bondedto (attr store1 < 107.895054566  and attr store1 > 107.095054566 ) or 
       bondedto (attr store1 < 155.619163697  and attr store1 > 154.819163697) or 
       bondedto (attr store1 < 60.1709454343  and attr store1 > 59.3709454343 ))) 
6 0.1 0.1 peak 271 volume 13.54788 ppm1 4.090 ppm2 1.701
 
! ############### c13noe.272 folded -
assi (attr store1 < 8.182 and attr store1 > 8.082 )
     ((attr store1 < 4.107 and attr store1 > 4.047 ) and 
      (bondedto (attr store1 < 107.908054566  and attr store1 > 107.108054566 ) or 
       bondedto (attr store1 < 155.632163697  and attr store1 > 154.832163697) or 
       bondedto (attr store1 < 60.1839454343  and attr store1 > 59.3839454343 ))) 
6 0.1 0.1 peak 272 volume 9.56564 ppm1 4.077 ppm2 8.132
 
! ############### c13noe.273 folded -
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 4.107 and attr store1 > 4.047 ) and 
      (bondedto (attr store1 < 107.894054566  and attr store1 > 107.094054566 ) or 
       bondedto (attr store1 < 155.618163697  and attr store1 > 154.818163697) or 
       bondedto (attr store1 < 60.1699454343  and attr store1 > 59.3699454343 ))) 
6 0.1 0.1 peak 273 volume 10.96414 ppm1 4.077 ppm2 4.688
 
! ############### c13noe.274 folded -
assi (attr store1 < 2.188 and attr store1 > 2.088 )
     ((attr store1 < 4.108 and attr store1 > 4.048 ) and 
      (bondedto (attr store1 < 107.919054566  and attr store1 > 107.119054566 ) or 
       bondedto (attr store1 < 155.643163697  and attr store1 > 154.843163697) or 
       bondedto (attr store1 < 60.1949454343  and attr store1 > 59.3949454343 ))) 
6 0.1 0.1 peak 274 volume 55.67059 ppm1 4.078 ppm2 2.138
 
! ############### c13noe.275 folded -
assi (attr store1 < 7.862 and attr store1 > 7.762 )
     ((attr store1 < 4.1 and attr store1 > 4.04 ) and 
      (bondedto (attr store1 < 107.854054566  and attr store1 > 107.054054566 ) or 
       bondedto (attr store1 < 155.578163697  and attr store1 > 154.778163697) or 
       bondedto (attr store1 < 60.1299454343  and attr store1 > 59.3299454343 ))) 
6 0.1 0.1 peak 275 volume 9.00212 ppm1 4.070 ppm2 7.812
 
! ############### c13noe.276 folded -
assi (attr store1 < 7.555 and attr store1 > 7.455 )
     ((attr store1 < 4.103 and attr store1 > 4.043 ) and 
      (bondedto (attr store1 < 107.923054566  and attr store1 > 107.123054566 ) or 
       bondedto (attr store1 < 155.647163697  and attr store1 > 154.847163697) or 
       bondedto (attr store1 < 60.1989454343  and attr store1 > 59.3989454343 ))) 
6 0.1 0.1 peak 276 volume 6.95053 ppm1 4.073 ppm2 7.505
 
! ############### c13noe.277 folded -
assi (attr store1 < 1.763 and attr store1 > 1.663 )
     ((attr store1 < 4.092 and attr store1 > 4.032 ) and 
      (bondedto (attr store1 < 107.877054566  and attr store1 > 107.077054566 ) or 
       bondedto (attr store1 < 155.601163697  and attr store1 > 154.801163697) or 
       bondedto (attr store1 < 60.1529454343  and attr store1 > 59.3529454343 ))) 
6 0.1 0.1 peak 277 volume 12.06485 ppm1 4.062 ppm2 1.713
 
! ############### c13noe.278 folded -
assi (attr store1 < 2.102 and attr store1 > 2.002 )
     ((attr store1 < 4.018 and attr store1 > 3.958 ) and 
      (bondedto (attr store1 < 107.896054566  and attr store1 > 107.096054566 ) or 
       bondedto (attr store1 < 155.620163697  and attr store1 > 154.820163697) or 
       bondedto (attr store1 < 60.1719454343  and attr store1 > 59.3719454343 ))) 
6 0.1 0.1 peak 278 volume 46.15752 ppm1 3.988 ppm2 2.052
 
! ############### c13noe.279 folded -
assi (attr store1 < 1.815 and attr store1 > 1.715 )
     ((attr store1 < 4.018 and attr store1 > 3.958 ) and 
      (bondedto (attr store1 < 107.885054566  and attr store1 > 107.085054566 ) or 
       bondedto (attr store1 < 155.609163697  and attr store1 > 154.809163697) or 
       bondedto (attr store1 < 60.1609454343  and attr store1 > 59.3609454343 ))) 
6 0.1 0.1 peak 279 volume 16.86032 ppm1 3.988 ppm2 1.765
 
! ############### c13noe.280 folded -
assi (attr store1 < 1.738 and attr store1 > 1.638 )
     ((attr store1 < 4.016 and attr store1 > 3.956 ) and 
      (bondedto (attr store1 < 107.848054566  and attr store1 > 107.048054566 ) or 
       bondedto (attr store1 < 155.572163697  and attr store1 > 154.772163697) or 
       bondedto (attr store1 < 60.1239454343  and attr store1 > 59.3239454343 ))) 
6 0.1 0.1 peak 280 volume 23.81329 ppm1 3.986 ppm2 1.688
 
! ############### c13noe.281 folded -
assi (attr store1 < 7.816 and attr store1 > 7.716 )
     ((attr store1 < 4.009 and attr store1 > 3.949 ) and 
      (bondedto (attr store1 < 107.882054566  and attr store1 > 107.082054566 ) or 
       bondedto (attr store1 < 155.606163697  and attr store1 > 154.806163697) or 
       bondedto (attr store1 < 60.1579454343  and attr store1 > 59.3579454343 ))) 
6 0.1 0.1 peak 281 volume 8.70194 ppm1 3.979 ppm2 7.766
 
! ############### c13noe.282 folded -
assi (attr store1 < 7.673 and attr store1 > 7.573 )
     ((attr store1 < 4.004 and attr store1 > 3.944 ) and 
      (bondedto (attr store1 < 107.901054566  and attr store1 > 107.101054566 ) or 
       bondedto (attr store1 < 155.625163697  and attr store1 > 154.825163697) or 
       bondedto (attr store1 < 60.1769454343  and attr store1 > 59.3769454343 ))) 
6 0.1 0.1 peak 282 volume 11.04785 ppm1 3.974 ppm2 7.623
 
! ############### c13noe.283 folded -
assi (attr store1 < 2.366 and attr store1 > 2.266 )
     ((attr store1 < 1.998 and attr store1 > 1.938 ) and 
      (bondedto (attr store1 < 107.925054566  and attr store1 > 107.125054566 ) or 
       bondedto (attr store1 < 155.649163697  and attr store1 > 154.849163697) or 
       bondedto (attr store1 < 60.2009454343  and attr store1 > 59.4009454343 ))) 
6 0.1 0.1 peak 283 volume 16.53481 ppm1 1.968 ppm2 2.316
 
! ############### c13noe.284 folded -
assi (attr store1 < 2.355 and attr store1 > 2.255 )
     ((attr store1 < 1.971 and attr store1 > 1.911 ) and 
      (bondedto (attr store1 < 107.894054566  and attr store1 > 107.094054566 ) or 
       bondedto (attr store1 < 155.618163697  and attr store1 > 154.818163697) or 
       bondedto (attr store1 < 60.1699454343  and attr store1 > 59.3699454343 ))) 
6 0.1 0.1 peak 284 volume 18.19506 ppm1 1.941 ppm2 2.305
 
! ############### c13noe.285 folded +
assi (attr store1 < 3.882 and attr store1 > 3.782 )
     ((attr store1 < 3.699 and attr store1 > 3.639 ) and 
      (bondedto (attr store1 < 131.638109131  and attr store1 > 130.838109131 ) or 
       bondedto (attr store1 < 83.914  and attr store1 > 83.114 ) or 
       bondedto (attr store1 < 36.1898908686  and attr store1 > 35.3898908686 ))) 
6 0.1 0.1 peak 285 volume 20.40087 ppm1 3.669 ppm2 3.832
 
! ############### c13noe.286 folded +
assi (attr store1 < 8.077 and attr store1 > 7.977 )
     ((attr store1 < 2.469 and attr store1 > 2.409 ) and 
      (bondedto (attr store1 < 131.674109131  and attr store1 > 130.874109131 ) or 
       bondedto (attr store1 < 83.95  and attr store1 > 83.15 ) or 
       bondedto (attr store1 < 36.2258908686  and attr store1 > 35.4258908686 ))) 
6 0.1 0.1 peak 286 volume 19.33854 ppm1 2.439 ppm2 8.027
 
! ############### c13noe.287 folded +
assi (attr store1 < 4.528 and attr store1 > 4.428 )
     ((attr store1 < 2.466 and attr store1 > 2.406 ) and 
      (bondedto (attr store1 < 131.667109131  and attr store1 > 130.867109131 ) or 
       bondedto (attr store1 < 83.943  and attr store1 > 83.143 ) or 
       bondedto (attr store1 < 36.2188908686  and attr store1 > 35.4188908686 ))) 
6 0.1 0.1 peak 287 volume 8.47952 ppm1 2.436 ppm2 4.478
 
! ############### c13noe.288 folded +
assi (attr store1 < 4.395 and attr store1 > 4.295 )
     ((attr store1 < 2.467 and attr store1 > 2.407 ) and 
      (bondedto (attr store1 < 131.671109131  and attr store1 > 130.871109131 ) or 
       bondedto (attr store1 < 83.947  and attr store1 > 83.147 ) or 
       bondedto (attr store1 < 36.2228908686  and attr store1 > 35.4228908686 ))) 
6 0.1 0.1 peak 288 volume 21.83800 ppm1 2.437 ppm2 4.345
 
! ############### c13noe.289 folded +
assi (attr store1 < 3.177 and attr store1 > 3.077 )
     ((attr store1 < 2.467 and attr store1 > 2.407 ) and 
      (bondedto (attr store1 < 131.661109131  and attr store1 > 130.861109131 ) or 
       bondedto (attr store1 < 83.937  and attr store1 > 83.137 ) or 
       bondedto (attr store1 < 36.2128908686  and attr store1 > 35.4128908686 ))) 
6 0.1 0.1 peak 289 volume 10.51904 ppm1 2.437 ppm2 3.127
 
! ############### c13noe.290 folded +
assi (attr store1 < 1.619 and attr store1 > 1.519 )
     ((attr store1 < 2.468 and attr store1 > 2.408 ) and 
      (bondedto (attr store1 < 131.695109131  and attr store1 > 130.895109131 ) or 
       bondedto (attr store1 < 83.971  and attr store1 > 83.171 ) or 
       bondedto (attr store1 < 36.2468908686  and attr store1 > 35.4468908686 ))) 
6 0.1 0.1 peak 290 volume 25.99596 ppm1 2.438 ppm2 1.569
 
! ############### c13noe.291 folded +
assi (attr store1 < 8.076 and attr store1 > 7.976 )
     ((attr store1 < 2.334 and attr store1 > 2.274 ) and 
      (bondedto (attr store1 < 131.684109131  and attr store1 > 130.884109131 ) or 
       bondedto (attr store1 < 83.96  and attr store1 > 83.16 ) or 
       bondedto (attr store1 < 36.2358908686  and attr store1 > 35.4358908686 ))) 
6 0.1 0.1 peak 291 volume 18.50469 ppm1 2.304 ppm2 8.026
 
! ############### c13noe.292 folded +
assi (attr store1 < 3.179 and attr store1 > 3.079 )
     ((attr store1 < 2.332 and attr store1 > 2.272 ) and 
      (bondedto (attr store1 < 131.671109131  and attr store1 > 130.871109131 ) or 
       bondedto (attr store1 < 83.947  and attr store1 > 83.147 ) or 
       bondedto (attr store1 < 36.2228908686  and attr store1 > 35.4228908686 ))) 
6 0.1 0.1 peak 292 volume 10.43869 ppm1 2.302 ppm2 3.129
 
! ############### c13noe.293 folded +
assi (attr store1 < 4.397 and attr store1 > 4.297 )
     ((attr store1 < 2.33 and attr store1 > 2.27 ) and 
      (bondedto (attr store1 < 131.672109131  and attr store1 > 130.872109131 ) or 
       bondedto (attr store1 < 83.948  and attr store1 > 83.148 ) or 
       bondedto (attr store1 < 36.2238908686  and attr store1 > 35.4238908686 ))) 
6 0.1 0.1 peak 293 volume 22.68749 ppm1 2.300 ppm2 4.347
 
! ############### c13noe.294 folded +
assi (attr store1 < 1.618 and attr store1 > 1.518 )
     ((attr store1 < 2.328 and attr store1 > 2.268 ) and 
      (bondedto (attr store1 < 131.676109131  and attr store1 > 130.876109131 ) or 
       bondedto (attr store1 < 83.952  and attr store1 > 83.152 ) or 
       bondedto (attr store1 < 36.2278908686  and attr store1 > 35.4278908686 ))) 
6 0.1 0.1 peak 294 volume 26.24693 ppm1 2.298 ppm2 1.568
 
! ############### c13noe.295 folded +
assi (attr store1 < 3.179 and attr store1 > 3.079 )
     ((attr store1 < 2.322 and attr store1 > 2.262 ) and 
      (bondedto (attr store1 < 131.664109131  and attr store1 > 130.864109131 ) or 
       bondedto (attr store1 < 83.94  and attr store1 > 83.14 ) or 
       bondedto (attr store1 < 36.2158908686  and attr store1 > 35.4158908686 ))) 
6 0.1 0.1 peak 295 volume 10.64132 ppm1 2.292 ppm2 3.129
 
! ############### c13noe.296 folded +
assi (attr store1 < 1.858 and attr store1 > 1.758 )
     ((attr store1 < 1.944 and attr store1 > 1.884 ) and 
      (bondedto (attr store1 < 131.612109131  and attr store1 > 130.812109131 ) or 
       bondedto (attr store1 < 83.888  and attr store1 > 83.088 ) or 
       bondedto (attr store1 < 36.1638908686  and attr store1 > 35.3638908686 ))) 
6 0.1 0.1 peak 296 volume 15.55447 ppm1 1.914 ppm2 1.808
 
! ############### c13noe.297 folded +
assi (attr store1 < 1.858 and attr store1 > 1.758 )
     ((attr store1 < 1.933 and attr store1 > 1.873 ) and 
      (bondedto (attr store1 < 131.613109131  and attr store1 > 130.813109131 ) or 
       bondedto (attr store1 < 83.889  and attr store1 > 83.089 ) or 
       bondedto (attr store1 < 36.1648908686  and attr store1 > 35.3648908686 ))) 
6 0.1 0.1 peak 297 volume 15.45675 ppm1 1.903 ppm2 1.808
 
! ############### c13noe.298 folded -
assi (attr store1 < 2.274 and attr store1 > 2.174 )
     ((attr store1 < 4.241 and attr store1 > 4.181 ) and 
      (bondedto (attr store1 < 107.825054566  and attr store1 > 107.025054566 ) or 
       bondedto (attr store1 < 155.549163697  and attr store1 > 154.749163697) or 
       bondedto (attr store1 < 60.1009454343  and attr store1 > 59.3009454343 ))) 
6 0.1 0.1 peak 298 volume 17.12536 ppm1 4.211 ppm2 2.224
 
! ############### c13noe.299 folded -
assi (attr store1 < 7.828 and attr store1 > 7.728 )
     ((attr store1 < 4.134 and attr store1 > 4.074 ) and 
      (bondedto (attr store1 < 107.812054566  and attr store1 > 107.012054566 ) or 
       bondedto (attr store1 < 155.536163697  and attr store1 > 154.736163697) or 
       bondedto (attr store1 < 60.0879454343  and attr store1 > 59.2879454343 ))) 
6 0.1 0.1 peak 299 volume 9.20939 ppm1 4.104 ppm2 7.778
 
! ############### c13noe.300 folded -
assi (attr store1 < 2.859 and attr store1 > 2.759 )
     ((attr store1 < 4.129 and attr store1 > 4.069 ) and 
      (bondedto (attr store1 < 107.828054566  and attr store1 > 107.028054566 ) or 
       bondedto (attr store1 < 155.552163697  and attr store1 > 154.752163697) or 
       bondedto (attr store1 < 60.1039454343  and attr store1 > 59.3039454343 ))) 
6 0.1 0.1 peak 300 volume 8.21369 ppm1 4.099 ppm2 2.809
 
! ############### c13noe.301 folded -
assi (attr store1 < 2.378 and attr store1 > 2.278 )
     ((attr store1 < 4.103 and attr store1 > 4.043 ) and 
      (bondedto (attr store1 < 107.796054566  and attr store1 > 106.996054566 ) or 
       bondedto (attr store1 < 155.520163697  and attr store1 > 154.720163697) or 
       bondedto (attr store1 < 60.0719454343  and attr store1 > 59.2719454343 ))) 
6 0.1 0.1 peak 301 volume 60.05431 ppm1 4.073 ppm2 2.328
 
! ############### c13noe.302 folded -
assi (attr store1 < 2.101 and attr store1 > 2.001 )
     ((attr store1 < 4.101 and attr store1 > 4.041 ) and 
      (bondedto (attr store1 < 107.779054566  and attr store1 > 106.979054566 ) or 
       bondedto (attr store1 < 155.503163697  and attr store1 > 154.703163697) or 
       bondedto (attr store1 < 60.0549454343  and attr store1 > 59.2549454343 ))) 
6 0.1 0.1 peak 302 volume 76.71098 ppm1 4.071 ppm2 2.051
 
! ############### c13noe.303 folded -
assi (attr store1 < 8.069 and attr store1 > 7.969 )
     ((attr store1 < 4.098 and attr store1 > 4.038 ) and 
      (bondedto (attr store1 < 107.761054566  and attr store1 > 106.961054566 ) or 
       bondedto (attr store1 < 155.485163697  and attr store1 > 154.685163697) or 
       bondedto (attr store1 < 60.0369454343  and attr store1 > 59.2369454343 ))) 
6 0.1 0.1 peak 303 volume 11.05851 ppm1 4.068 ppm2 8.019
 
! ############### c13noe.304 folded -
assi (attr store1 < 7.858 and attr store1 > 7.758 )
     ((attr store1 < 4.073 and attr store1 > 4.013 ) and 
      (bondedto (attr store1 < 107.755054566  and attr store1 > 106.955054566 ) or 
       bondedto (attr store1 < 155.479163697  and attr store1 > 154.679163697) or 
       bondedto (attr store1 < 60.0309454343  and attr store1 > 59.2309454343 ))) 
6 0.1 0.1 peak 304 volume 8.19582 ppm1 4.043 ppm2 7.808
 
! ############### c13noe.305 folded -
assi (attr store1 < 2.961 and attr store1 > 2.861 )
     ((attr store1 < 4.065 and attr store1 > 4.005 ) and 
      (bondedto (attr store1 < 107.826054566  and attr store1 > 107.026054566 ) or 
       bondedto (attr store1 < 155.550163697  and attr store1 > 154.750163697) or 
       bondedto (attr store1 < 60.1019454343  and attr store1 > 59.3019454343 ))) 
6 0.1 0.1 peak 305 volume 7.12194 ppm1 4.035 ppm2 2.911
 
! ############### c13noe.306 folded -
assi (attr store1 < 2.212 and attr store1 > 2.112 )
     ((attr store1 < 4.015 and attr store1 > 3.955 ) and 
      (bondedto (attr store1 < 107.760054566  and attr store1 > 106.960054566 ) or 
       bondedto (attr store1 < 155.484163697  and attr store1 > 154.684163697) or 
       bondedto (attr store1 < 60.0359454343  and attr store1 > 59.2359454343 ))) 
6 0.1 0.1 peak 306 volume 24.80737 ppm1 3.985 ppm2 2.162
 
! ############### c13noe.307 folded -
assi (attr store1 < 1.862 and attr store1 > 1.762 )
     ((attr store1 < 4.014 and attr store1 > 3.954 ) and 
      (bondedto (attr store1 < 107.759054566  and attr store1 > 106.959054566 ) or 
       bondedto (attr store1 < 155.483163697  and attr store1 > 154.683163697) or 
       bondedto (attr store1 < 60.0349454343  and attr store1 > 59.2349454343 ))) 
6 0.1 0.1 peak 307 volume 13.96929 ppm1 3.984 ppm2 1.812
 
! ############### c13noe.308 folded -
assi (attr store1 < 8.585 and attr store1 > 8.485 )
     ((attr store1 < 3.977 and attr store1 > 3.917 ) and 
      (bondedto (attr store1 < 107.763054566  and attr store1 > 106.963054566 ) or 
       bondedto (attr store1 < 155.487163697  and attr store1 > 154.687163697) or 
       bondedto (attr store1 < 60.0389454343  and attr store1 > 59.2389454343 ))) 
6 0.1 0.1 peak 308 volume 16.43061 ppm1 3.947 ppm2 8.535
 
! ############### c13noe.309 folded -
assi (attr store1 < 7.153 and attr store1 > 7.053 )
     ((attr store1 < 3.979 and attr store1 > 3.919 ) and 
      (bondedto (attr store1 < 107.776054566  and attr store1 > 106.976054566 ) or 
       bondedto (attr store1 < 155.500163697  and attr store1 > 154.700163697) or 
       bondedto (attr store1 < 60.0519454343  and attr store1 > 59.2519454343 ))) 
6 0.1 0.1 peak 309 volume 9.4998 ppm1 3.949 ppm2 7.103
 
! ############### c13noe.310 folded -
assi (attr store1 < 2.195 and attr store1 > 2.095 )
     ((attr store1 < 3.977 and attr store1 > 3.917 ) and 
      (bondedto (attr store1 < 107.754054566  and attr store1 > 106.954054566 ) or 
       bondedto (attr store1 < 155.478163697  and attr store1 > 154.678163697) or 
       bondedto (attr store1 < 60.0299454343  and attr store1 > 59.2299454343 ))) 
6 0.1 0.1 peak 310 volume 27.54036 ppm1 3.947 ppm2 2.145
 
! ############### c13noe.311 folded -
assi (attr store1 < 2.255 and attr store1 > 2.155 )
     ((attr store1 < 3.973 and attr store1 > 3.913 ) and 
      (bondedto (attr store1 < 107.768054566  and attr store1 > 106.968054566 ) or 
       bondedto (attr store1 < 155.492163697  and attr store1 > 154.692163697) or 
       bondedto (attr store1 < 60.0439454343  and attr store1 > 59.2439454343 ))) 
6 0.1 0.1 peak 311 volume 28.71152 ppm1 3.943 ppm2 2.205
 
! ############### c13noe.312 folded -
assi (attr store1 < 2.178 and attr store1 > 2.078 )
     ((attr store1 < 3.918 and attr store1 > 3.858 ) and 
      (bondedto (attr store1 < 107.771054566  and attr store1 > 106.971054566 ) or 
       bondedto (attr store1 < 155.495163697  and attr store1 > 154.695163697) or 
       bondedto (attr store1 < 60.0469454343  and attr store1 > 59.2469454343 ))) 
6 0.1 0.1 peak 312 volume 6.53992 ppm1 3.888 ppm2 2.128
 
! ############### c13noe.313 folded -
assi (attr store1 < 1.25 and attr store1 > 1.15 )
     ((attr store1 < 1.482 and attr store1 > 1.422 ) and 
      (bondedto (attr store1 < 107.825054566  and attr store1 > 107.025054566 ) or 
       bondedto (attr store1 < 155.549163697  and attr store1 > 154.749163697) or 
       bondedto (attr store1 < 60.1009454343  and attr store1 > 59.3009454343 ))) 
6 0.1 0.1 peak 313 volume 41.30837 ppm1 1.452 ppm2 1.200
 
! ############### c13noe.314 folded -
assi (attr store1 < 1.504 and attr store1 > 1.404 )
     ((attr store1 < 1.223 and attr store1 > 1.163 ) and 
      (bondedto (attr store1 < 107.814054566  and attr store1 > 107.014054566 ) or 
       bondedto (attr store1 < 155.538163697  and attr store1 > 154.738163697) or 
       bondedto (attr store1 < 60.0899454343  and attr store1 > 59.2899454343 ))) 
6 0.1 0.1 peak 314 volume 40.48953 ppm1 1.193 ppm2 1.454
 
! ############### c13noe.315 folded -
assi (attr store1 < 8.178 and attr store1 > 8.078 )
     ((attr store1 < 4.466 and attr store1 > 4.406 ) and 
      (bondedto (attr store1 < 107.728054566  and attr store1 > 106.928054566 ) or 
       bondedto (attr store1 < 155.452163697  and attr store1 > 154.652163697) or 
       bondedto (attr store1 < 60.0039454343  and attr store1 > 59.2039454343 ))) 
6 0.1 0.1 peak 315 volume 44.32888 ppm1 4.436 ppm2 8.128
 
! ############### c13noe.316 folded -
assi (attr store1 < 4.029 and attr store1 > 3.929 )
     ((attr store1 < 4.465 and attr store1 > 4.405 ) and 
      (bondedto (attr store1 < 107.713054566  and attr store1 > 106.913054566 ) or 
       bondedto (attr store1 < 155.437163697  and attr store1 > 154.637163697) or 
       bondedto (attr store1 < 59.9889454343  and attr store1 > 59.1889454343 ))) 
6 0.1 0.1 peak 316 volume 106.51833 ppm1 4.435 ppm2 3.979
 
! ############### c13noe.317 folded -
assi (attr store1 < 2.102 and attr store1 > 2.002 )
     ((attr store1 < 4.247 and attr store1 > 4.187 ) and 
      (bondedto (attr store1 < 107.664054566  and attr store1 > 106.864054566 ) or 
       bondedto (attr store1 < 155.388163697  and attr store1 > 154.588163697) or 
       bondedto (attr store1 < 59.9399454343  and attr store1 > 59.1399454343 ))) 
6 0.1 0.1 peak 317 volume 9.95298 ppm1 4.217 ppm2 2.052
 
! ############### c13noe.318 folded -
assi (attr store1 < 2.439 and attr store1 > 2.339 )
     ((attr store1 < 4.236 and attr store1 > 4.176 ) and 
      (bondedto (attr store1 < 107.695054566  and attr store1 > 106.895054566 ) or 
       bondedto (attr store1 < 155.419163697  and attr store1 > 154.619163697) or 
       bondedto (attr store1 < 59.9709454343  and attr store1 > 59.1709454343 ))) 
6 0.1 0.1 peak 318 volume 7.38127 ppm1 4.206 ppm2 2.389
 
! ############### c13noe.319 folded -
assi (attr store1 < 2.003 and attr store1 > 1.903 )
     ((attr store1 < 4.146 and attr store1 > 4.086 ) and 
      (bondedto (attr store1 < 107.716054566  and attr store1 > 106.916054566 ) or 
       bondedto (attr store1 < 155.440163697  and attr store1 > 154.640163697) or 
       bondedto (attr store1 < 59.9919454343  and attr store1 > 59.1919454343 ))) 
6 0.1 0.1 peak 319 volume 12.11626 ppm1 4.116 ppm2 1.953
 
! ############### c13noe.320 folded -
assi (attr store1 < 1.805 and attr store1 > 1.705 )
     ((attr store1 < 4.103 and attr store1 > 4.043 ) and 
      (bondedto (attr store1 < 107.727054566  and attr store1 > 106.927054566 ) or 
       bondedto (attr store1 < 155.451163697  and attr store1 > 154.651163697) or 
       bondedto (attr store1 < 60.0029454343  and attr store1 > 59.2029454343 ))) 
6 0.1 0.1 peak 320 volume 9.08994 ppm1 4.073 ppm2 1.755
 
! ############### c13noe.321 folded -
assi (attr store1 < 9.416 and attr store1 > 9.316 )
     ((attr store1 < 4.097 and attr store1 > 4.037 ) and 
      (bondedto (attr store1 < 107.701054566  and attr store1 > 106.901054566 ) or 
       bondedto (attr store1 < 155.425163697  and attr store1 > 154.625163697) or 
       bondedto (attr store1 < 59.9769454343  and attr store1 > 59.1769454343 ))) 
6 0.1 0.1 peak 321 volume 22.48442 ppm1 4.067 ppm2 9.366
 
! ############### c13noe.322 folded -
assi (attr store1 < 7.212 and attr store1 > 7.112 )
     ((attr store1 < 4.097 and attr store1 > 4.037 ) and 
      (bondedto (attr store1 < 107.678054566  and attr store1 > 106.878054566 ) or 
       bondedto (attr store1 < 155.402163697  and attr store1 > 154.602163697) or 
       bondedto (attr store1 < 59.9539454343  and attr store1 > 59.1539454343 ))) 
6 0.1 0.1 peak 322 volume 7.89996 ppm1 4.067 ppm2 7.162
 
! ############### c13noe.323 folded -
assi (attr store1 < 2.804 and attr store1 > 2.704 )
     ((attr store1 < 4.024 and attr store1 > 3.964 ) and 
      (bondedto (attr store1 < 107.721054566  and attr store1 > 106.921054566 ) or 
       bondedto (attr store1 < 155.445163697  and attr store1 > 154.645163697) or 
       bondedto (attr store1 < 59.9969454343  and attr store1 > 59.1969454343 ))) 
6 0.1 0.1 peak 323 volume 8.43449 ppm1 3.994 ppm2 2.754
 
! ############### c13noe.324 folded -
assi (attr store1 < 8.704 and attr store1 > 8.604 )
     ((attr store1 < 4.021 and attr store1 > 3.961 ) and 
      (bondedto (attr store1 < 107.676054566  and attr store1 > 106.876054566 ) or 
       bondedto (attr store1 < 155.400163697  and attr store1 > 154.600163697) or 
       bondedto (attr store1 < 59.9519454343  and attr store1 > 59.1519454343 ))) 
6 0.1 0.1 peak 324 volume 14.05384 ppm1 3.991 ppm2 8.654
 
! ############### c13noe.325 folded -
assi (attr store1 < 7.869 and attr store1 > 7.769 )
     ((attr store1 < 4.02 and attr store1 > 3.96 ) and 
      (bondedto (attr store1 < 107.684054566  and attr store1 > 106.884054566 ) or 
       bondedto (attr store1 < 155.408163697  and attr store1 > 154.608163697) or 
       bondedto (attr store1 < 59.9599454343  and attr store1 > 59.1599454343 ))) 
6 0.1 0.1 peak 325 volume 13.42786 ppm1 3.990 ppm2 7.819
 
! ############### c13noe.326 folded -
assi (attr store1 < 7.823 and attr store1 > 7.723 )
     ((attr store1 < 3.993 and attr store1 > 3.933 ) and 
      (bondedto (attr store1 < 107.691054566  and attr store1 > 106.891054566 ) or 
       bondedto (attr store1 < 155.415163697  and attr store1 > 154.615163697) or 
       bondedto (attr store1 < 59.9669454343  and attr store1 > 59.1669454343 ))) 
6 0.1 0.1 peak 326 volume 8.94183 ppm1 3.963 ppm2 7.773
 
! ############### c13noe.327 folded -
assi (attr store1 < 0.964 and attr store1 > 0.864 )
     ((attr store1 < 3.994 and attr store1 > 3.934 ) and 
      (bondedto (attr store1 < 107.666054566  and attr store1 > 106.866054566 ) or 
       bondedto (attr store1 < 155.390163697  and attr store1 > 154.590163697) or 
       bondedto (attr store1 < 59.9419454343  and attr store1 > 59.1419454343 ))) 
6 0.1 0.1 peak 327 volume 27.87091 ppm1 3.964 ppm2 0.914
 
! ############### c13noe.328 folded -
assi (attr store1 < 8.42 and attr store1 > 8.32 )
     ((attr store1 < 3.98 and attr store1 > 3.92 ) and 
      (bondedto (attr store1 < 107.723054566  and attr store1 > 106.923054566 ) or 
       bondedto (attr store1 < 155.447163697  and attr store1 > 154.647163697) or 
       bondedto (attr store1 < 59.9989454343  and attr store1 > 59.1989454343 ))) 
6 0.1 0.1 peak 328 volume 12.71655 ppm1 3.950 ppm2 8.370
 
! ############### c13noe.329 folded -
assi (attr store1 < 2.537 and attr store1 > 2.437 )
     ((attr store1 < 3.98 and attr store1 > 3.92 ) and 
      (bondedto (attr store1 < 107.719054566  and attr store1 > 106.919054566 ) or 
       bondedto (attr store1 < 155.443163697  and attr store1 > 154.643163697) or 
       bondedto (attr store1 < 59.9949454343  and attr store1 > 59.1949454343 ))) 
6 0.1 0.1 peak 329 volume 17.08044 ppm1 3.950 ppm2 2.487
 
! ############### c13noe.330 folded -
assi (attr store1 < 2.376 and attr store1 > 2.276 )
     ((attr store1 < 3.982 and attr store1 > 3.922 ) and 
      (bondedto (attr store1 < 107.710054566  and attr store1 > 106.910054566 ) or 
       bondedto (attr store1 < 155.434163697  and attr store1 > 154.634163697) or 
       bondedto (attr store1 < 59.9859454343  and attr store1 > 59.1859454343 ))) 
6 0.1 0.1 peak 330 volume 28.12762 ppm1 3.952 ppm2 2.326
 
! ############### c13noe.331 folded -
assi (attr store1 < 7.887 and attr store1 > 7.787 )
     ((attr store1 < 3.966 and attr store1 > 3.906 ) and 
      (bondedto (attr store1 < 107.720054566  and attr store1 > 106.920054566 ) or 
       bondedto (attr store1 < 155.444163697  and attr store1 > 154.644163697) or 
       bondedto (attr store1 < 59.9959454343  and attr store1 > 59.1959454343 ))) 
6 0.1 0.1 peak 331 volume 7.81874 ppm1 3.936 ppm2 7.837
 
! ############### c13noe.332 folded -
assi (attr store1 < 1.989 and attr store1 > 1.889 )
     ((attr store1 < 3.952 and attr store1 > 3.892 ) and 
      (bondedto (attr store1 < 107.664054566  and attr store1 > 106.864054566 ) or 
       bondedto (attr store1 < 155.388163697  and attr store1 > 154.588163697) or 
       bondedto (attr store1 < 59.9399454343  and attr store1 > 59.1399454343 ))) 
6 0.1 0.1 peak 332 volume 9.49114 ppm1 3.922 ppm2 1.939
 
! ############### c13noe.333 folded -
assi (attr store1 < 1.775 and attr store1 > 1.675 )
     ((attr store1 < 3.956 and attr store1 > 3.896 ) and 
      (bondedto (attr store1 < 107.695054566  and attr store1 > 106.895054566 ) or 
       bondedto (attr store1 < 155.419163697  and attr store1 > 154.619163697) or 
       bondedto (attr store1 < 59.9709454343  and attr store1 > 59.1709454343 ))) 
6 0.1 0.1 peak 333 volume 10.5285 ppm1 3.926 ppm2 1.725
 
! ############### c13noe.334 folded -
assi (attr store1 < 1.163 and attr store1 > 1.063 )
     ((attr store1 < 3.953 and attr store1 > 3.893 ) and 
      (bondedto (attr store1 < 107.692054566  and attr store1 > 106.892054566 ) or 
       bondedto (attr store1 < 155.416163697  and attr store1 > 154.616163697) or 
       bondedto (attr store1 < 59.9679454343  and attr store1 > 59.1679454343 ))) 
6 0.1 0.1 peak 334 volume 16.62287 ppm1 3.923 ppm2 1.113
 
! ############### c13noe.335 folded -
assi (attr store1 < 0.888 and attr store1 > 0.788 )
     ((attr store1 < 3.953 and attr store1 > 3.893 ) and 
      (bondedto (attr store1 < 107.710054566  and attr store1 > 106.910054566 ) or 
       bondedto (attr store1 < 155.434163697  and attr store1 > 154.634163697) or 
       bondedto (attr store1 < 59.9859454343  and attr store1 > 59.1859454343 ))) 
6 0.1 0.1 peak 335 volume 23.67235 ppm1 3.923 ppm2 0.838
 
! ############### c13noe.336 folded -
assi (attr store1 < 1.881 and attr store1 > 1.781 )
     ((attr store1 < 3.951 and attr store1 > 3.891 ) and 
      (bondedto (attr store1 < 107.691054566  and attr store1 > 106.891054566 ) or 
       bondedto (attr store1 < 155.415163697  and attr store1 > 154.615163697) or 
       bondedto (attr store1 < 59.9669454343  and attr store1 > 59.1669454343 ))) 
6 0.1 0.1 peak 336 volume 16.92432 ppm1 3.921 ppm2 1.831
 
! ############### c13noe.337 folded -
assi (attr store1 < 0.87 and attr store1 > 0.77 )
     ((attr store1 < 3.949 and attr store1 > 3.889 ) and 
      (bondedto (attr store1 < 107.695054566  and attr store1 > 106.895054566 ) or 
       bondedto (attr store1 < 155.419163697  and attr store1 > 154.619163697) or 
       bondedto (attr store1 < 59.9709454343  and attr store1 > 59.1709454343 ))) 
6 0.1 0.1 peak 337 volume 23.91434 ppm1 3.919 ppm2 0.820
 
! ############### c13noe.338 folded -
assi (attr store1 < 7.862 and attr store1 > 7.762 )
     ((attr store1 < 3.943 and attr store1 > 3.883 ) and 
      (bondedto (attr store1 < 107.695054566  and attr store1 > 106.895054566 ) or 
       bondedto (attr store1 < 155.419163697  and attr store1 > 154.619163697) or 
       bondedto (attr store1 < 59.9709454343  and attr store1 > 59.1709454343 ))) 
6 0.1 0.1 peak 338 volume 8.02345 ppm1 3.913 ppm2 7.812
 
! ############### c13noe.339 folded -
assi (attr store1 < 7.587 and attr store1 > 7.487 )
     ((attr store1 < 3.945 and attr store1 > 3.885 ) and 
      (bondedto (attr store1 < 107.725054566  and attr store1 > 106.925054566 ) or 
       bondedto (attr store1 < 155.449163697  and attr store1 > 154.649163697) or 
       bondedto (attr store1 < 60.0009454343  and attr store1 > 59.2009454343 ))) 
6 0.1 0.1 peak 339 volume 12.92484 ppm1 3.915 ppm2 7.537
 
! ############### c13noe.340 folded -
assi (attr store1 < 0.542 and attr store1 > 0.442 )
     ((attr store1 < 3.943 and attr store1 > 3.883 ) and 
      (bondedto (attr store1 < 107.711054566  and attr store1 > 106.911054566 ) or 
       bondedto (attr store1 < 155.435163697  and attr store1 > 154.635163697) or 
       bondedto (attr store1 < 59.9869454343  and attr store1 > 59.1869454343 ))) 
6 0.1 0.1 peak 340 volume 28.2299 ppm1 3.913 ppm2 0.492
 
! ############### c13noe.341 folded -
assi (attr store1 < 1.79 and attr store1 > 1.69 )
     ((attr store1 < 3.94 and attr store1 > 3.88 ) and 
      (bondedto (attr store1 < 107.696054566  and attr store1 > 106.896054566 ) or 
       bondedto (attr store1 < 155.420163697  and attr store1 > 154.620163697) or 
       bondedto (attr store1 < 59.9719454343  and attr store1 > 59.1719454343 ))) 
6 0.1 0.1 peak 341 volume 10.16486 ppm1 3.910 ppm2 1.740
 
! ############### c13noe.342 folded -
assi (attr store1 < 2.544 and attr store1 > 2.444 )
     ((attr store1 < 4.261 and attr store1 > 4.201 ) and 
      (bondedto (attr store1 < 107.601054566  and attr store1 > 106.801054566 ) or 
       bondedto (attr store1 < 155.325163697  and attr store1 > 154.525163697) or 
       bondedto (attr store1 < 59.8769454343  and attr store1 > 59.0769454343 ))) 
6 0.1 0.1 peak 342 volume 14.81658 ppm1 4.231 ppm2 2.494
 
! ############### c13noe.343 folded -
assi (attr store1 < 8.051 and attr store1 > 7.951 )
     ((attr store1 < 4.258 and attr store1 > 4.198 ) and 
      (bondedto (attr store1 < 107.576054566  and attr store1 > 106.776054566 ) or 
       bondedto (attr store1 < 155.300163697  and attr store1 > 154.500163697) or 
       bondedto (attr store1 < 59.8519454343  and attr store1 > 59.0519454343 ))) 
6 0.1 0.1 peak 343 volume 10.95289 ppm1 4.228 ppm2 8.001
 
! ############### c13noe.344 folded -
assi (attr store1 < 2.605 and attr store1 > 2.505 )
     ((attr store1 < 4.089 and attr store1 > 4.029 ) and 
      (bondedto (attr store1 < 107.597054566  and attr store1 > 106.797054566 ) or 
       bondedto (attr store1 < 155.321163697  and attr store1 > 154.521163697) or 
       bondedto (attr store1 < 59.8729454343  and attr store1 > 59.0729454343 ))) 
6 0.1 0.1 peak 344 volume 12.37779 ppm1 4.059 ppm2 2.555
 
! ############### c13noe.345 folded -
assi (attr store1 < 2.491 and attr store1 > 2.391 )
     ((attr store1 < 4.009 and attr store1 > 3.949 ) and 
      (bondedto (attr store1 < 107.633054566  and attr store1 > 106.833054566 ) or 
       bondedto (attr store1 < 155.357163697  and attr store1 > 154.557163697) or 
       bondedto (attr store1 < 59.9089454343  and attr store1 > 59.1089454343 ))) 
6 0.1 0.1 peak 345 volume 13.63379 ppm1 3.979 ppm2 2.441
 
! ############### c13noe.346 folded -
assi (attr store1 < 1.858 and attr store1 > 1.758 )
     ((attr store1 < 3.991 and attr store1 > 3.931 ) and 
      (bondedto (attr store1 < 107.593054566  and attr store1 > 106.793054566 ) or 
       bondedto (attr store1 < 155.317163697  and attr store1 > 154.517163697) or 
       bondedto (attr store1 < 59.8689454343  and attr store1 > 59.0689454343 ))) 
6 0.1 0.1 peak 346 volume 14.6134 ppm1 3.961 ppm2 1.808
 
! ############### c13noe.347 folded -
assi (attr store1 < 7.679 and attr store1 > 7.579 )
     ((attr store1 < 3.988 and attr store1 > 3.928 ) and 
      (bondedto (attr store1 < 107.641054566  and attr store1 > 106.841054566 ) or 
       bondedto (attr store1 < 155.365163697  and attr store1 > 154.565163697) or 
       bondedto (attr store1 < 59.9169454343  and attr store1 > 59.1169454343 ))) 
6 0.1 0.1 peak 347 volume 10.05032 ppm1 3.958 ppm2 7.629
 
! ############### c13noe.348 folded -
assi (attr store1 < 1.715 and attr store1 > 1.615 )
     ((attr store1 < 3.99 and attr store1 > 3.93 ) and 
      (bondedto (attr store1 < 107.596054566  and attr store1 > 106.796054566 ) or 
       bondedto (attr store1 < 155.320163697  and attr store1 > 154.520163697) or 
       bondedto (attr store1 < 59.8719454343  and attr store1 > 59.0719454343 ))) 
6 0.1 0.1 peak 348 volume 19.96342 ppm1 3.960 ppm2 1.665
 
! ############### c13noe.349 folded -
assi (attr store1 < 1.578 and attr store1 > 1.478 )
     ((attr store1 < 3.989 and attr store1 > 3.929 ) and 
      (bondedto (attr store1 < 107.593054566  and attr store1 > 106.793054566 ) or 
       bondedto (attr store1 < 155.317163697  and attr store1 > 154.517163697) or 
       bondedto (attr store1 < 59.8689454343  and attr store1 > 59.0689454343 ))) 
6 0.1 0.1 peak 349 volume 32.14193 ppm1 3.959 ppm2 1.528
 
! ############### c13noe.350 folded +
assi (attr store1 < 1.562 and attr store1 > 1.462 )
     ((attr store1 < 1.722 and attr store1 > 1.662 ) and 
      (bondedto (attr store1 < 131.374109131  and attr store1 > 130.574109131 ) or 
       bondedto (attr store1 < 83.65  and attr store1 > 82.85 ) or 
       bondedto (attr store1 < 35.9258908686  and attr store1 > 35.1258908686 ))) 
6 0.1 0.1 peak 350 volume 7.87193 ppm1 1.692 ppm2 1.512
 
! ############### c13noe.351 folded +
assi (attr store1 < 1.572 and attr store1 > 1.472 )
     ((attr store1 < 1.706 and attr store1 > 1.646 ) and 
      (bondedto (attr store1 < 131.331109131  and attr store1 > 130.531109131 ) or 
       bondedto (attr store1 < 83.607  and attr store1 > 82.807 ) or 
       bondedto (attr store1 < 35.8828908686  and attr store1 > 35.0828908686 ))) 
6 0.1 0.1 peak 351 volume 8.65211 ppm1 1.676 ppm2 1.522
 
! ############### c13noe.352 folded +
assi (attr store1 < 1.55 and attr store1 > 1.45 )
     ((attr store1 < 1.668 and attr store1 > 1.608 ) and 
      (bondedto (attr store1 < 131.369109131  and attr store1 > 130.569109131 ) or 
       bondedto (attr store1 < 83.645  and attr store1 > 82.845 ) or 
       bondedto (attr store1 < 35.9208908686  and attr store1 > 35.1208908686 ))) 
6 0.1 0.1 peak 352 volume 10.12782 ppm1 1.638 ppm2 1.500
 
! ############### c13noe.353 folded +
assi (attr store1 < 1.687 and attr store1 > 1.587 )
     ((attr store1 < 1.52 and attr store1 > 1.46 ) and 
      (bondedto (attr store1 < 131.361109131  and attr store1 > 130.561109131 ) or 
       bondedto (attr store1 < 83.637  and attr store1 > 82.837 ) or 
       bondedto (attr store1 < 35.9128908686  and attr store1 > 35.1128908686 ))) 
6 0.1 0.1 peak 353 volume 8.04939 ppm1 1.490 ppm2 1.637
 
! ############### c13noe.354 folded +
assi (attr store1 < 1.246 and attr store1 > 1.146 )
     ((attr store1 < 1.491 and attr store1 > 1.431 ) and 
      (bondedto (attr store1 < 131.360109131  and attr store1 > 130.560109131 ) or 
       bondedto (attr store1 < 83.636  and attr store1 > 82.836 ) or 
       bondedto (attr store1 < 35.9118908686  and attr store1 > 35.1118908686 ))) 
6 0.1 0.1 peak 354 volume 24.42607 ppm1 1.461 ppm2 1.196
 
! ############### c13noe.355 folded +
assi (attr store1 < 1.252 and attr store1 > 1.152 )
     ((attr store1 < 1.478 and attr store1 > 1.418 ) and 
      (bondedto (attr store1 < 131.376109131  and attr store1 > 130.576109131 ) or 
       bondedto (attr store1 < 83.652  and attr store1 > 82.852 ) or 
       bondedto (attr store1 < 35.9278908686  and attr store1 > 35.1278908686 ))) 
6 0.1 0.1 peak 355 volume 22.29568 ppm1 1.448 ppm2 1.202
 
! ############### c13noe.356 folded +
assi (attr store1 < 1.503 and attr store1 > 1.403 )
     ((attr store1 < 1.239 and attr store1 > 1.179 ) and 
      (bondedto (attr store1 < 131.387109131  and attr store1 > 130.587109131 ) or 
       bondedto (attr store1 < 83.663  and attr store1 > 82.863 ) or 
       bondedto (attr store1 < 35.9388908686  and attr store1 > 35.1388908686 ))) 
6 0.1 0.1 peak 356 volume 23.34360 ppm1 1.209 ppm2 1.453
 
! ############### c13noe.357 folded +
assi (attr store1 < 1.504 and attr store1 > 1.404 )
     ((attr store1 < 1.227 and attr store1 > 1.167 ) and 
      (bondedto (attr store1 < 131.368109131  and attr store1 > 130.568109131 ) or 
       bondedto (attr store1 < 83.644  and attr store1 > 82.844 ) or 
       bondedto (attr store1 < 35.9198908686  and attr store1 > 35.1198908686 ))) 
6 0.1 0.1 peak 357 volume 26.73509 ppm1 1.197 ppm2 1.454
 
! ############### c13noe.358 folded +
assi (attr store1 < 4.172 and attr store1 > 4.072 )
     ((attr store1 < 0.974 and attr store1 > 0.914 ) and 
      (bondedto (attr store1 < 131.339109131  and attr store1 > 130.539109131 ) or 
       bondedto (attr store1 < 83.615  and attr store1 > 82.815 ) or 
       bondedto (attr store1 < 35.8908908686  and attr store1 > 35.0908908686 ))) 
6 0.1 0.1 peak 358 volume 6.68965 ppm1 0.944 ppm2 4.122
 
! ############### c13noe.359 folded -
assi (attr store1 < 2.535 and attr store1 > 2.435 )
     ((attr store1 < 4.305 and attr store1 > 4.245 ) and 
      (bondedto (attr store1 < 107.494054566  and attr store1 > 106.694054566 ) or 
       bondedto (attr store1 < 155.218163697  and attr store1 > 154.418163697) or 
       bondedto (attr store1 < 59.7699454343  and attr store1 > 58.9699454343 ))) 
6 0.1 0.1 peak 359 volume 12.5072 ppm1 4.275 ppm2 2.485
 
! ############### c13noe.360 folded -
assi (attr store1 < 2.538 and attr store1 > 2.438 )
     ((attr store1 < 4.295 and attr store1 > 4.235 ) and 
      (bondedto (attr store1 < 107.491054566  and attr store1 > 106.691054566 ) or 
       bondedto (attr store1 < 155.215163697  and attr store1 > 154.415163697) or 
       bondedto (attr store1 < 59.7669454343  and attr store1 > 58.9669454343 ))) 
6 0.1 0.1 peak 360 volume 11.48065 ppm1 4.265 ppm2 2.488
 
! ############### c13noe.361 folded -
assi (attr store1 < 2.309 and attr store1 > 2.209 )
     ((attr store1 < 4.271 and attr store1 > 4.211 ) and 
      (bondedto (attr store1 < 107.527054566  and attr store1 > 106.727054566 ) or 
       bondedto (attr store1 < 155.251163697  and attr store1 > 154.451163697) or 
       bondedto (attr store1 < 59.8029454343  and attr store1 > 59.0029454343 ))) 
6 0.1 0.1 peak 361 volume 17.88175 ppm1 4.241 ppm2 2.259
 
! ############### c13noe.362 folded -
assi (attr store1 < 8.483 and attr store1 > 8.383 )
     ((attr store1 < 4.267 and attr store1 > 4.207 ) and 
      (bondedto (attr store1 < 107.540054566  and attr store1 > 106.740054566 ) or 
       bondedto (attr store1 < 155.264163697  and attr store1 > 154.464163697) or 
       bondedto (attr store1 < 59.8159454343  and attr store1 > 59.0159454343 ))) 
6 0.1 0.1 peak 362 volume 7.41908 ppm1 4.237 ppm2 8.433
 
! ############### c13noe.363 folded -
assi (attr store1 < 2.838 and attr store1 > 2.738 )
     ((attr store1 < 4.263 and attr store1 > 4.203 ) and 
      (bondedto (attr store1 < 107.538054566  and attr store1 > 106.738054566 ) or 
       bondedto (attr store1 < 155.262163697  and attr store1 > 154.462163697) or 
       bondedto (attr store1 < 59.8139454343  and attr store1 > 59.0139454343 ))) 
6 0.1 0.1 peak 363 volume 8.95656 ppm1 4.233 ppm2 2.788
 
! ############### c13noe.364 folded -
assi (attr store1 < 8.178 and attr store1 > 8.078 )
     ((attr store1 < 4.081 and attr store1 > 4.021 ) and 
      (bondedto (attr store1 < 107.532054566  and attr store1 > 106.732054566 ) or 
       bondedto (attr store1 < 155.256163697  and attr store1 > 154.456163697) or 
       bondedto (attr store1 < 59.8079454343  and attr store1 > 59.0079454343 ))) 
6 0.1 0.1 peak 364 volume 12.19779 ppm1 4.051 ppm2 8.128
 
! ############### c13noe.365 folded +
assi (attr store1 < 2.367 and attr store1 > 2.267 )
     ((attr store1 < 2.006 and attr store1 > 1.946 ) and 
      (bondedto (attr store1 < 131.264109131  and attr store1 > 130.464109131 ) or 
       bondedto (attr store1 < 83.54  and attr store1 > 82.74 ) or 
       bondedto (attr store1 < 35.8158908686  and attr store1 > 35.0158908686 ))) 
6 0.1 0.1 peak 365 volume 19.80833 ppm1 1.976 ppm2 2.317
 
! ############### c13noe.366 folded +
assi (attr store1 < 2.36 and attr store1 > 2.26 )
     ((attr store1 < 1.972 and attr store1 > 1.912 ) and 
      (bondedto (attr store1 < 131.266109131  and attr store1 > 130.466109131 ) or 
       bondedto (attr store1 < 83.542  and attr store1 > 82.742 ) or 
       bondedto (attr store1 < 35.8178908686  and attr store1 > 35.0178908686 ))) 
6 0.1 0.1 peak 366 volume 23.68380 ppm1 1.942 ppm2 2.310
 
! ############### c13noe.367 folded +
assi (attr store1 < 0.926 and attr store1 > 0.826 )
     ((attr store1 < 1.225 and attr store1 > 1.165 ) and 
      (bondedto (attr store1 < 131.287109131  and attr store1 > 130.487109131 ) or 
       bondedto (attr store1 < 83.563  and attr store1 > 82.763 ) or 
       bondedto (attr store1 < 35.8388908686  and attr store1 > 35.0388908686 ))) 
6 0.1 0.1 peak 367 volume 9.91372 ppm1 1.195 ppm2 0.876
 
! ############### c13noe.368 folded -
assi (attr store1 < 8.505 and attr store1 > 8.405 )
     ((attr store1 < 4.381 and attr store1 > 4.321 ) and 
      (bondedto (attr store1 < 107.431054566  and attr store1 > 106.631054566 ) or 
       bondedto (attr store1 < 155.155163697  and attr store1 > 154.355163697) or 
       bondedto (attr store1 < 59.7069454343  and attr store1 > 58.9069454343 ))) 
6 0.1 0.1 peak 368 volume 6.90162 ppm1 4.351 ppm2 8.455
 
! ############### c13noe.369 folded -
assi (attr store1 < 8.659 and attr store1 > 8.559 )
     ((attr store1 < 4.356 and attr store1 > 4.296 ) and 
      (bondedto (attr store1 < 107.414054566  and attr store1 > 106.614054566 ) or 
       bondedto (attr store1 < 155.138163697  and attr store1 > 154.338163697) or 
       bondedto (attr store1 < 59.6899454343  and attr store1 > 58.8899454343 ))) 
6 0.1 0.1 peak 369 volume 27.67044 ppm1 4.326 ppm2 8.609
 
! ############### c13noe.370 folded -
assi (attr store1 < 4.733 and attr store1 > 4.633 )
     ((attr store1 < 4.355 and attr store1 > 4.295 ) and 
      (bondedto (attr store1 < 107.397054566  and attr store1 > 106.597054566 ) or 
       bondedto (attr store1 < 155.121163697  and attr store1 > 154.321163697) or 
       bondedto (attr store1 < 59.6729454343  and attr store1 > 58.8729454343 ))) 
6 0.1 0.1 peak 370 volume 35.53527 ppm1 4.325 ppm2 4.683
 
! ############### c13noe.371 folded -
assi (attr store1 < 3.88 and attr store1 > 3.78 )
     ((attr store1 < 4.355 and attr store1 > 4.295 ) and 
      (bondedto (attr store1 < 107.416054566  and attr store1 > 106.616054566 ) or 
       bondedto (attr store1 < 155.140163697  and attr store1 > 154.340163697) or 
       bondedto (attr store1 < 59.6919454343  and attr store1 > 58.8919454343 ))) 
6 0.1 0.1 peak 371 volume 100.99634 ppm1 4.325 ppm2 3.830
 
! ############### c13noe.372 folded -
assi (attr store1 < 3.794 and attr store1 > 3.694 )
     ((attr store1 < 4.356 and attr store1 > 4.296 ) and 
      (bondedto (attr store1 < 107.405054566  and attr store1 > 106.605054566 ) or 
       bondedto (attr store1 < 155.129163697  and attr store1 > 154.329163697) or 
       bondedto (attr store1 < 59.6809454343  and attr store1 > 58.8809454343 ))) 
6 0.1 0.1 peak 372 volume 11.33013 ppm1 4.326 ppm2 3.744
 
! ############### c13noe.373 folded -
assi (attr store1 < 1.74 and attr store1 > 1.64 )
     ((attr store1 < 4.349 and attr store1 > 4.289 ) and 
      (bondedto (attr store1 < 107.389054566  and attr store1 > 106.589054566 ) or 
       bondedto (attr store1 < 155.113163697  and attr store1 > 154.313163697) or 
       bondedto (attr store1 < 59.6649454343  and attr store1 > 58.8649454343 ))) 
6 0.1 0.1 peak 373 volume 6.91714 ppm1 4.319 ppm2 1.690
 
! ############### c13noe.374 folded -
assi (attr store1 < 2.998 and attr store1 > 2.898 )
     ((attr store1 < 4.315 and attr store1 > 4.255 ) and 
      (bondedto (attr store1 < 107.388054566  and attr store1 > 106.588054566 ) or 
       bondedto (attr store1 < 155.112163697  and attr store1 > 154.312163697) or 
       bondedto (attr store1 < 59.6639454343  and attr store1 > 58.8639454343 ))) 
6 0.1 0.1 peak 374 volume 11.85981 ppm1 4.285 ppm2 2.948
 
! ############### c13noe.375 folded -
assi (attr store1 < 2.432 and attr store1 > 2.332 )
     ((attr store1 < 4.309 and attr store1 > 4.249 ) and 
      (bondedto (attr store1 < 107.434054566  and attr store1 > 106.634054566 ) or 
       bondedto (attr store1 < 155.158163697  and attr store1 > 154.358163697) or 
       bondedto (attr store1 < 59.7099454343  and attr store1 > 58.9099454343 ))) 
6 0.1 0.1 peak 375 volume 18.45894 ppm1 4.279 ppm2 2.382
 
! ############### c13noe.376 folded -
assi (attr store1 < 2.277 and attr store1 > 2.177 )
     ((attr store1 < 4.311 and attr store1 > 4.251 ) and 
      (bondedto (attr store1 < 107.380054566  and attr store1 > 106.580054566 ) or 
       bondedto (attr store1 < 155.104163697  and attr store1 > 154.304163697) or 
       bondedto (attr store1 < 59.6559454343  and attr store1 > 58.8559454343 ))) 
6 0.1 0.1 peak 376 volume 17.3816 ppm1 4.281 ppm2 2.227
 
! ############### c13noe.377 folded -
assi (attr store1 < 7.634 and attr store1 > 7.534 )
     ((attr store1 < 4.307 and attr store1 > 4.247 ) and 
      (bondedto (attr store1 < 107.411054566  and attr store1 > 106.611054566 ) or 
       bondedto (attr store1 < 155.135163697  and attr store1 > 154.335163697) or 
       bondedto (attr store1 < 59.6869454343  and attr store1 > 58.8869454343 ))) 
6 0.1 0.1 peak 377 volume 6.3384 ppm1 4.277 ppm2 7.584
 
! ############### c13noe.378 folded -
assi (attr store1 < 2.996 and attr store1 > 2.896 )
     ((attr store1 < 4.305 and attr store1 > 4.245 ) and 
      (bondedto (attr store1 < 107.424054566  and attr store1 > 106.624054566 ) or 
       bondedto (attr store1 < 155.148163697  and attr store1 > 154.348163697) or 
       bondedto (attr store1 < 59.6999454343  and attr store1 > 58.8999454343 ))) 
6 0.1 0.1 peak 378 volume 12.33057 ppm1 4.275 ppm2 2.946
 
! ############### c13noe.379 folded -
assi (attr store1 < 2.092 and attr store1 > 1.992 )
     ((attr store1 < 4.305 and attr store1 > 4.245 ) and 
      (bondedto (attr store1 < 107.409054566  and attr store1 > 106.609054566 ) or 
       bondedto (attr store1 < 155.133163697  and attr store1 > 154.333163697) or 
       bondedto (attr store1 < 59.6849454343  and attr store1 > 58.8849454343 ))) 
6 0.1 0.1 peak 379 volume 11.8353 ppm1 4.275 ppm2 2.042
 
! ############### c13noe.380 folded -
assi (attr store1 < 7.211 and attr store1 > 7.111 )
     ((attr store1 < 4.303 and attr store1 > 4.243 ) and 
      (bondedto (attr store1 < 107.394054566  and attr store1 > 106.594054566 ) or 
       bondedto (attr store1 < 155.118163697  and attr store1 > 154.318163697) or 
       bondedto (attr store1 < 59.6699454343  and attr store1 > 58.8699454343 ))) 
6 0.1 0.1 peak 380 volume 14.06561 ppm1 4.273 ppm2 7.161
 
! ############### c13noe.381 folded -
assi (attr store1 < 2.009 and attr store1 > 1.909 )
     ((attr store1 < 4.301 and attr store1 > 4.241 ) and 
      (bondedto (attr store1 < 107.411054566  and attr store1 > 106.611054566 ) or 
       bondedto (attr store1 < 155.135163697  and attr store1 > 154.335163697) or 
       bondedto (attr store1 < 59.6869454343  and attr store1 > 58.8869454343 ))) 
6 0.1 0.1 peak 381 volume 19.987 ppm1 4.271 ppm2 1.959
 
! ############### c13noe.382 folded -
assi (attr store1 < 2.827 and attr store1 > 2.727 )
     ((attr store1 < 4.291 and attr store1 > 4.231 ) and 
      (bondedto (attr store1 < 107.391054566  and attr store1 > 106.591054566 ) or 
       bondedto (attr store1 < 155.115163697  and attr store1 > 154.315163697) or 
       bondedto (attr store1 < 59.6669454343  and attr store1 > 58.8669454343 ))) 
6 0.1 0.1 peak 382 volume 7.66024 ppm1 4.261 ppm2 2.777
 
! ############### c13noe.383 folded -
assi (attr store1 < 1.5 and attr store1 > 1.4 )
     ((attr store1 < 3.99 and attr store1 > 3.93 ) and 
      (bondedto (attr store1 < 107.419054566  and attr store1 > 106.619054566 ) or 
       bondedto (attr store1 < 155.143163697  and attr store1 > 154.343163697) or 
       bondedto (attr store1 < 59.6949454343  and attr store1 > 58.8949454343 ))) 
6 0.1 0.1 peak 383 volume 14.41781 ppm1 3.960 ppm2 1.450
 
! ############### c13noe.384 folded -
assi (attr store1 < 1.5 and attr store1 > 1.4 )
     ((attr store1 < 3.981 and attr store1 > 3.921 ) and 
      (bondedto (attr store1 < 107.402054566  and attr store1 > 106.602054566 ) or 
       bondedto (attr store1 < 155.126163697  and attr store1 > 154.326163697) or 
       bondedto (attr store1 < 59.6779454343  and attr store1 > 58.8779454343 ))) 
6 0.1 0.1 peak 384 volume 14.9998 ppm1 3.951 ppm2 1.450
 
! ############### c13noe.385 folded -
assi (attr store1 < 1.111 and attr store1 > 1.011 )
     ((attr store1 < 3.983 and attr store1 > 3.923 ) and 
      (bondedto (attr store1 < 107.389054566  and attr store1 > 106.589054566 ) or 
       bondedto (attr store1 < 155.113163697  and attr store1 > 154.313163697) or 
       bondedto (attr store1 < 59.6649454343  and attr store1 > 58.8649454343 ))) 
6 0.1 0.1 peak 385 volume 27.74641 ppm1 3.953 ppm2 1.061
 
! ############### c13noe.386 folded -
assi (attr store1 < 1.764 and attr store1 > 1.664 )
     ((attr store1 < 3.289 and attr store1 > 3.229 ) and 
      (bondedto (attr store1 < 107.419054566  and attr store1 > 106.619054566 ) or 
       bondedto (attr store1 < 155.143163697  and attr store1 > 154.343163697) or 
       bondedto (attr store1 < 59.6949454343  and attr store1 > 58.8949454343 ))) 
6 0.1 0.1 peak 386 volume 8.3073 ppm1 3.259 ppm2 1.714
 
! ############### c13noe.387 folded -
assi (attr store1 < 0.969 and attr store1 > 0.869 )
     ((attr store1 < 1.926 and attr store1 > 1.866 ) and 
      (bondedto (attr store1 < 107.427054566  and attr store1 > 106.627054566 ) or 
       bondedto (attr store1 < 155.151163697  and attr store1 > 154.351163697) or 
       bondedto (attr store1 < 59.7029454343  and attr store1 > 58.9029454343 ))) 
6 0.1 0.1 peak 387 volume 9.60517 ppm1 1.896 ppm2 0.919
 
! ############### c13noe.388 folded +
assi (attr store1 < 2.018 and attr store1 > 1.918 )
     ((attr store1 < 2.344 and attr store1 > 2.284 ) and 
      (bondedto (attr store1 < 131.159109131  and attr store1 > 130.359109131 ) or 
       bondedto (attr store1 < 83.435  and attr store1 > 82.635 ) or 
       bondedto (attr store1 < 35.7108908686  and attr store1 > 34.9108908686 ))) 
6 0.1 0.1 peak 388 volume 32.18382 ppm1 2.314 ppm2 1.968
 
! ############### c13noe.389 folded +
assi (attr store1 < 2.363 and attr store1 > 2.263 )
     ((attr store1 < 1.15 and attr store1 > 1.09 ) and 
      (bondedto (attr store1 < 131.152109131  and attr store1 > 130.352109131 ) or 
       bondedto (attr store1 < 83.428  and attr store1 > 82.628 ) or 
       bondedto (attr store1 < 35.7038908686  and attr store1 > 34.9038908686 ))) 
6 0.1 0.1 peak 389 volume 7.66416 ppm1 1.120 ppm2 2.313
 
! ############### c13noe.390 folded +
assi (attr store1 < 0.997 and attr store1 > 0.897 )
     ((attr store1 < 1.148 and attr store1 > 1.088 ) and 
      (bondedto (attr store1 < 131.209109131  and attr store1 > 130.409109131 ) or 
       bondedto (attr store1 < 83.485  and attr store1 > 82.685 ) or 
       bondedto (attr store1 < 35.7608908686  and attr store1 > 34.9608908686 ))) 
6 0.1 0.1 peak 390 volume 24.29350 ppm1 1.118 ppm2 0.947
 
! ############### c13noe.391 folded -
assi (attr store1 < 7.595 and attr store1 > 7.495 )
     ((attr store1 < 4.375 and attr store1 > 4.315 ) and 
      (bondedto (attr store1 < 107.339054566  and attr store1 > 106.539054566 ) or 
       bondedto (attr store1 < 155.063163697  and attr store1 > 154.263163697) or 
       bondedto (attr store1 < 59.6149454343  and attr store1 > 58.8149454343 ))) 
6 0.1 0.1 peak 391 volume 7.25574 ppm1 4.345 ppm2 7.545
 
! ############### c13noe.392 folded -
assi (attr store1 < 3.116 and attr store1 > 3.016 )
     ((attr store1 < 4.376 and attr store1 > 4.316 ) and 
      (bondedto (attr store1 < 107.312054566  and attr store1 > 106.512054566 ) or 
       bondedto (attr store1 < 155.036163697  and attr store1 > 154.236163697) or 
       bondedto (attr store1 < 59.5879454343  and attr store1 > 58.7879454343 ))) 
6 0.1 0.1 peak 392 volume 17.42518 ppm1 4.346 ppm2 3.066
 
! ############### c13noe.393 folded -
assi (attr store1 < 2.238 and attr store1 > 2.138 )
     ((attr store1 < 4.378 and attr store1 > 4.318 ) and 
      (bondedto (attr store1 < 107.294054566  and attr store1 > 106.494054566 ) or 
       bondedto (attr store1 < 155.018163697  and attr store1 > 154.218163697) or 
       bondedto (attr store1 < 59.5699454343  and attr store1 > 58.7699454343 ))) 
6 0.1 0.1 peak 393 volume 18.02832 ppm1 4.348 ppm2 2.188
 
! ############### c13noe.394 folded -
assi (attr store1 < 1.629 and attr store1 > 1.529 )
     ((attr store1 < 4.378 and attr store1 > 4.318 ) and 
      (bondedto (attr store1 < 107.340054566  and attr store1 > 106.540054566 ) or 
       bondedto (attr store1 < 155.064163697  and attr store1 > 154.264163697) or 
       bondedto (attr store1 < 59.6159454343  and attr store1 > 58.8159454343 ))) 
6 0.1 0.1 peak 394 volume 9.33208 ppm1 4.348 ppm2 1.579
 
! ############### c13noe.395 folded -
assi (attr store1 < 2.33 and attr store1 > 2.23 )
     ((attr store1 < 4.371 and attr store1 > 4.311 ) and 
      (bondedto (attr store1 < 107.299054566  and attr store1 > 106.499054566 ) or 
       bondedto (attr store1 < 155.023163697  and attr store1 > 154.223163697) or 
       bondedto (attr store1 < 59.5749454343  and attr store1 > 58.7749454343 ))) 
6 0.1 0.1 peak 395 volume 34.32679 ppm1 4.341 ppm2 2.280
 
! ############### c13noe.396 folded -
assi (attr store1 < 8.081 and attr store1 > 7.981 )
     ((attr store1 < 4.364 and attr store1 > 4.304 ) and 
      (bondedto (attr store1 < 107.347054566  and attr store1 > 106.547054566 ) or 
       bondedto (attr store1 < 155.071163697  and attr store1 > 154.271163697) or 
       bondedto (attr store1 < 59.6229454343  and attr store1 > 58.8229454343 ))) 
6 0.1 0.1 peak 396 volume 25.49648 ppm1 4.334 ppm2 8.031
 
! ############### c13noe.397 folded -
assi (attr store1 < 2.961 and attr store1 > 2.861 )
     ((attr store1 < 4.365 and attr store1 > 4.305 ) and 
      (bondedto (attr store1 < 107.309054566  and attr store1 > 106.509054566 ) or 
       bondedto (attr store1 < 155.033163697  and attr store1 > 154.233163697) or 
       bondedto (attr store1 < 59.5849454343  and attr store1 > 58.7849454343 ))) 
6 0.1 0.1 peak 397 volume 12.87956 ppm1 4.335 ppm2 2.911
 
! ############### c13noe.398 folded -
assi (attr store1 < 2.251 and attr store1 > 2.151 )
     ((attr store1 < 4.366 and attr store1 > 4.306 ) and 
      (bondedto (attr store1 < 107.319054566  and attr store1 > 106.519054566 ) or 
       bondedto (attr store1 < 155.043163697  and attr store1 > 154.243163697) or 
       bondedto (attr store1 < 59.5949454343  and attr store1 > 58.7949454343 ))) 
6 0.1 0.1 peak 398 volume 20.31052 ppm1 4.336 ppm2 2.201
 
! ############### c13noe.399 folded -
assi (attr store1 < 8.486 and attr store1 > 8.386 )
     ((attr store1 < 4.36 and attr store1 > 4.3 ) and 
      (bondedto (attr store1 < 107.368054566  and attr store1 > 106.568054566 ) or 
       bondedto (attr store1 < 155.092163697  and attr store1 > 154.292163697) or 
       bondedto (attr store1 < 59.6439454343  and attr store1 > 58.8439454343 ))) 
6 0.1 0.1 peak 399 volume 7.55831 ppm1 4.330 ppm2 8.436
 
! ############### c13noe.400 folded -
assi (attr store1 < 2.482 and attr store1 > 2.382 )
     ((attr store1 < 4.357 and attr store1 > 4.297 ) and 
      (bondedto (attr store1 < 107.330054566  and attr store1 > 106.530054566 ) or 
       bondedto (attr store1 < 155.054163697  and attr store1 > 154.254163697) or 
       bondedto (attr store1 < 59.6059454343  and attr store1 > 58.8059454343 ))) 
6 0.1 0.1 peak 400 volume 10.9968 ppm1 4.327 ppm2 2.432
 
! ############### c13noe.401 folded -
assi (attr store1 < 2.723 and attr store1 > 2.623 )
     ((attr store1 < 4.305 and attr store1 > 4.245 ) and 
      (bondedto (attr store1 < 107.347054566  and attr store1 > 106.547054566 ) or 
       bondedto (attr store1 < 155.071163697  and attr store1 > 154.271163697) or 
       bondedto (attr store1 < 59.6229454343  and attr store1 > 58.8229454343 ))) 
6 0.1 0.1 peak 401 volume 14.94014 ppm1 4.275 ppm2 2.673
 
! ############### c13noe.402 folded -
assi (attr store1 < 3.292 and attr store1 > 3.192 )
     ((attr store1 < 4.278 and attr store1 > 4.218 ) and 
      (bondedto (attr store1 < 107.299054566  and attr store1 > 106.499054566 ) or 
       bondedto (attr store1 < 155.023163697  and attr store1 > 154.223163697) or 
       bondedto (attr store1 < 59.5749454343  and attr store1 > 58.7749454343 ))) 
6 0.1 0.1 peak 402 volume 12.91624 ppm1 4.248 ppm2 3.242
 
! ############### c13noe.403 folded -
assi (attr store1 < 0.915 and attr store1 > 0.815 )
     ((attr store1 < 4.277 and attr store1 > 4.217 ) and 
      (bondedto (attr store1 < 107.321054566  and attr store1 > 106.521054566 ) or 
       bondedto (attr store1 < 155.045163697  and attr store1 > 154.245163697) or 
       bondedto (attr store1 < 59.5969454343  and attr store1 > 58.7969454343 ))) 
6 0.1 0.1 peak 403 volume 7.51556 ppm1 4.247 ppm2 0.865
 
! ############### c13noe.404 folded -
assi (attr store1 < 1.968 and attr store1 > 1.868 )
     ((attr store1 < 4.267 and attr store1 > 4.207 ) and 
      (bondedto (attr store1 < 107.307054566  and attr store1 > 106.507054566 ) or 
       bondedto (attr store1 < 155.031163697  and attr store1 > 154.231163697) or 
       bondedto (attr store1 < 59.5829454343  and attr store1 > 58.7829454343 ))) 
6 0.1 0.1 peak 404 volume 16.66553 ppm1 4.237 ppm2 1.918
 
! ############### c13noe.405 folded -
assi (attr store1 < 7.806 and attr store1 > 7.706 )
     ((attr store1 < 4.261 and attr store1 > 4.201 ) and 
      (bondedto (attr store1 < 107.281054566  and attr store1 > 106.481054566 ) or 
       bondedto (attr store1 < 155.005163697  and attr store1 > 154.205163697) or 
       bondedto (attr store1 < 59.5569454343  and attr store1 > 58.7569454343 ))) 
6 0.1 0.1 peak 405 volume 8.68547 ppm1 4.231 ppm2 7.756
 
! ############### c13noe.406 folded -
assi (attr store1 < 1.896 and attr store1 > 1.796 )
     ((attr store1 < 4.207 and attr store1 > 4.147 ) and 
      (bondedto (attr store1 < 107.297054566  and attr store1 > 106.497054566 ) or 
       bondedto (attr store1 < 155.021163697  and attr store1 > 154.221163697) or 
       bondedto (attr store1 < 59.5729454343  and attr store1 > 58.7729454343 ))) 
6 0.1 0.1 peak 406 volume 6.16069 ppm1 4.177 ppm2 1.846
 
! ############### c13noe.407 folded -
assi (attr store1 < 8.057 and attr store1 > 7.957 )
     ((attr store1 < 3.973 and attr store1 > 3.913 ) and 
      (bondedto (attr store1 < 107.352054566  and attr store1 > 106.552054566 ) or 
       bondedto (attr store1 < 155.076163697  and attr store1 > 154.276163697) or 
       bondedto (attr store1 < 59.6279454343  and attr store1 > 58.8279454343 ))) 
6 0.1 0.1 peak 407 volume 11.88365 ppm1 3.943 ppm2 8.007
 
! ############### c13noe.408 folded -
assi (attr store1 < 3.722 and attr store1 > 3.622 )
     ((attr store1 < 3.87 and attr store1 > 3.81 ) and 
      (bondedto (attr store1 < 107.302054566  and attr store1 > 106.502054566 ) or 
       bondedto (attr store1 < 155.026163697  and attr store1 > 154.226163697) or 
       bondedto (attr store1 < 59.5779454343  and attr store1 > 58.7779454343 ))) 
6 0.1 0.1 peak 408 volume 19.11133 ppm1 3.840 ppm2 3.672
 
! ############### c13noe.409 folded -
assi (attr store1 < 0.944 and attr store1 > 0.844 )
     ((attr store1 < 3.837 and attr store1 > 3.777 ) and 
      (bondedto (attr store1 < 107.340054566  and attr store1 > 106.540054566 ) or 
       bondedto (attr store1 < 155.064163697  and attr store1 > 154.264163697) or 
       bondedto (attr store1 < 59.6159454343  and attr store1 > 58.8159454343 ))) 
6 0.1 0.1 peak 409 volume 18.62587 ppm1 3.807 ppm2 0.894
 
! ############### c13noe.410 folded -
assi (attr store1 < 0.869 and attr store1 > 0.769 )
     ((attr store1 < 3.838 and attr store1 > 3.778 ) and 
      (bondedto (attr store1 < 107.324054566  and attr store1 > 106.524054566 ) or 
       bondedto (attr store1 < 155.048163697  and attr store1 > 154.248163697) or 
       bondedto (attr store1 < 59.5999454343  and attr store1 > 58.7999454343 ))) 
6 0.1 0.1 peak 410 volume 35.15737 ppm1 3.808 ppm2 0.819
 
! ############### c13noe.411 folded -
assi (attr store1 < 8.975 and attr store1 > 8.875 )
     ((attr store1 < 3.834 and attr store1 > 3.774 ) and 
      (bondedto (attr store1 < 107.312054566  and attr store1 > 106.512054566 ) or 
       bondedto (attr store1 < 155.036163697  and attr store1 > 154.236163697) or 
       bondedto (attr store1 < 59.5879454343  and attr store1 > 58.7879454343 ))) 
6 0.1 0.1 peak 411 volume 7.93219 ppm1 3.804 ppm2 8.925
 
! ############### c13noe.412 folded -
assi (attr store1 < 1.474 and attr store1 > 1.374 )
     ((attr store1 < 3.833 and attr store1 > 3.773 ) and 
      (bondedto (attr store1 < 107.322054566  and attr store1 > 106.522054566 ) or 
       bondedto (attr store1 < 155.046163697  and attr store1 > 154.246163697) or 
       bondedto (attr store1 < 59.5979454343  and attr store1 > 58.7979454343 ))) 
6 0.1 0.1 peak 412 volume 13.35006 ppm1 3.803 ppm2 1.424
 
! ############### c13noe.413 folded -
assi (attr store1 < 1.09 and attr store1 > 0.99 )
     ((attr store1 < 3.834 and attr store1 > 3.774 ) and 
      (bondedto (attr store1 < 107.352054566  and attr store1 > 106.552054566 ) or 
       bondedto (attr store1 < 155.076163697  and attr store1 > 154.276163697) or 
       bondedto (attr store1 < 59.6279454343  and attr store1 > 58.8279454343 ))) 
6 0.1 0.1 peak 413 volume 12.77689 ppm1 3.804 ppm2 1.040
 
! ############### c13noe.414 folded -
assi (attr store1 < 8.497 and attr store1 > 8.397 )
     ((attr store1 < 3.828 and attr store1 > 3.768 ) and 
      (bondedto (attr store1 < 107.326054566  and attr store1 > 106.526054566 ) or 
       bondedto (attr store1 < 155.050163697  and attr store1 > 154.250163697) or 
       bondedto (attr store1 < 59.6019454343  and attr store1 > 58.8019454343 ))) 
6 0.1 0.1 peak 414 volume 10.30394 ppm1 3.798 ppm2 8.447
 
! ############### c13noe.415 folded -
assi (attr store1 < 2.259 and attr store1 > 2.159 )
     ((attr store1 < 3.83 and attr store1 > 3.77 ) and 
      (bondedto (attr store1 < 107.313054566  and attr store1 > 106.513054566 ) or 
       bondedto (attr store1 < 155.037163697  and attr store1 > 154.237163697) or 
       bondedto (attr store1 < 59.5889454343  and attr store1 > 58.7889454343 ))) 
6 0.1 0.1 peak 415 volume 9.99177 ppm1 3.800 ppm2 2.209
 
! ############### c13noe.416 folded -
assi (attr store1 < 3.889 and attr store1 > 3.789 )
     ((attr store1 < 3.697 and attr store1 > 3.637 ) and 
      (bondedto (attr store1 < 107.320054566  and attr store1 > 106.520054566 ) or 
       bondedto (attr store1 < 155.044163697  and attr store1 > 154.244163697) or 
       bondedto (attr store1 < 59.5959454343  and attr store1 > 58.7959454343 ))) 
6 0.1 0.1 peak 416 volume 21.24259 ppm1 3.667 ppm2 3.839
 
! ############### c13noe.417 folded -
assi (attr store1 < 1.496 and attr store1 > 1.396 )
     ((attr store1 < 1.256 and attr store1 > 1.196 ) and 
      (bondedto (attr store1 < 107.327054566  and attr store1 > 106.527054566 ) or 
       bondedto (attr store1 < 155.051163697  and attr store1 > 154.251163697) or 
       bondedto (attr store1 < 59.6029454343  and attr store1 > 58.8029454343 ))) 
6 0.1 0.1 peak 417 volume 10.62201 ppm1 1.226 ppm2 1.446
 
! ############### c13noe.418 folded -
assi (attr store1 < 1.501 and attr store1 > 1.401 )
     ((attr store1 < 1.245 and attr store1 > 1.185 ) and 
      (bondedto (attr store1 < 107.296054566  and attr store1 > 106.496054566 ) or 
       bondedto (attr store1 < 155.020163697  and attr store1 > 154.220163697) or 
       bondedto (attr store1 < 59.5719454343  and attr store1 > 58.7719454343 ))) 
6 0.1 0.1 peak 418 volume 13.03654 ppm1 1.215 ppm2 1.451
 
! ############### c13noe.419 folded +
assi (attr store1 < 1.906 and attr store1 > 1.806 )
     ((attr store1 < 0.952 and attr store1 > 0.892 ) and 
      (bondedto (attr store1 < 131.106109131  and attr store1 > 130.306109131 ) or 
       bondedto (attr store1 < 83.382  and attr store1 > 82.582 ) or 
       bondedto (attr store1 < 35.6578908686  and attr store1 > 34.8578908686 ))) 
6 0.1 0.1 peak 419 volume 7.74846 ppm1 0.922 ppm2 1.856
 
! ############### c13noe.420 folded +
assi (attr store1 < 2.133 and attr store1 > 2.033 )
     ((attr store1 < 0.897 and attr store1 > 0.837 ) and 
      (bondedto (attr store1 < 131.072109131  and attr store1 > 130.272109131 ) or 
       bondedto (attr store1 < 83.348  and attr store1 > 82.548 ) or 
       bondedto (attr store1 < 35.6238908686  and attr store1 > 34.8238908686 ))) 
6 0.1 0.1 peak 420 volume 7.25398 ppm1 0.867 ppm2 2.083
 
! ############### c13noe.421 folded +
assi (attr store1 < 1.924 and attr store1 > 1.824 )
     ((attr store1 < 0.896 and attr store1 > 0.836 ) and 
      (bondedto (attr store1 < 131.137109131  and attr store1 > 130.337109131 ) or 
       bondedto (attr store1 < 83.413  and attr store1 > 82.613 ) or 
       bondedto (attr store1 < 35.6888908686  and attr store1 > 34.8888908686 ))) 
6 0.1 0.1 peak 421 volume 6.34246 ppm1 0.866 ppm2 1.874
 
! ############### c13noe.422 folded +
assi (attr store1 < 1.834 and attr store1 > 1.734 )
     ((attr store1 < 0.895 and attr store1 > 0.835 ) and 
      (bondedto (attr store1 < 131.074109131  and attr store1 > 130.274109131 ) or 
       bondedto (attr store1 < 83.35  and attr store1 > 82.55 ) or 
       bondedto (attr store1 < 35.6258908686  and attr store1 > 34.8258908686 ))) 
6 0.1 0.1 peak 422 volume 7.38823 ppm1 0.865 ppm2 1.784
 
! ############### c13noe.423 folded -
assi (attr store1 < 2.49 and attr store1 > 2.39 )
     ((attr store1 < 4.372 and attr store1 > 4.312 ) and 
      (bondedto (attr store1 < 107.262054566  and attr store1 > 106.462054566 ) or 
       bondedto (attr store1 < 154.986163697  and attr store1 > 154.186163697) or 
       bondedto (attr store1 < 59.5379454343  and attr store1 > 58.7379454343 ))) 
6 0.1 0.1 peak 423 volume 10.61085 ppm1 4.342 ppm2 2.440
 
! ############### c13noe.424 folded -
assi (attr store1 < 7.748 and attr store1 > 7.648 )
     ((attr store1 < 4.272 and attr store1 > 4.212 ) and 
      (bondedto (attr store1 < 107.249054566  and attr store1 > 106.449054566 ) or 
       bondedto (attr store1 < 154.973163697  and attr store1 > 154.173163697) or 
       bondedto (attr store1 < 59.5249454343  and attr store1 > 58.7249454343 ))) 
6 0.1 0.1 peak 424 volume 11.12052 ppm1 4.242 ppm2 7.698
 
! ############### c13noe.425 folded -
assi (attr store1 < 6.797 and attr store1 > 6.697 )
     ((attr store1 < 4.262 and attr store1 > 4.202 ) and 
      (bondedto (attr store1 < 107.259054566  and attr store1 > 106.459054566 ) or 
       bondedto (attr store1 < 154.983163697  and attr store1 > 154.183163697) or 
       bondedto (attr store1 < 59.5349454343  and attr store1 > 58.7349454343 ))) 
6 0.1 0.1 peak 425 volume 12.76644 ppm1 4.232 ppm2 6.747
 
! ############### c13noe.426 folded -
assi (attr store1 < 3.326 and attr store1 > 3.226 )
     ((attr store1 < 4.263 and attr store1 > 4.203 ) and 
      (bondedto (attr store1 < 107.245054566  and attr store1 > 106.445054566 ) or 
       bondedto (attr store1 < 154.969163697  and attr store1 > 154.169163697) or 
       bondedto (attr store1 < 59.5209454343  and attr store1 > 58.7209454343 ))) 
6 0.1 0.1 peak 426 volume 14.91105 ppm1 4.233 ppm2 3.276
 
! ############### c13noe.427 folded -
assi (attr store1 < 0.833 and attr store1 > 0.733 )
     ((attr store1 < 4.262 and attr store1 > 4.202 ) and 
      (bondedto (attr store1 < 107.274054566  and attr store1 > 106.474054566 ) or 
       bondedto (attr store1 < 154.998163697  and attr store1 > 154.198163697) or 
       bondedto (attr store1 < 59.5499454343  and attr store1 > 58.7499454343 ))) 
6 0.1 0.1 peak 427 volume 22.29901 ppm1 4.232 ppm2 0.783
 
! ############### c13noe.428 folded -
assi (attr store1 < 0.545 and attr store1 > 0.445 )
     ((attr store1 < 4.262 and attr store1 > 4.202 ) and 
      (bondedto (attr store1 < 107.244054566  and attr store1 > 106.444054566 ) or 
       bondedto (attr store1 < 154.968163697  and attr store1 > 154.168163697) or 
       bondedto (attr store1 < 59.5199454343  and attr store1 > 58.7199454343 ))) 
6 0.1 0.1 peak 428 volume 9.67322 ppm1 4.232 ppm2 0.495
 
! ############### c13noe.429 folded -
assi (attr store1 < 3.287 and attr store1 > 3.187 )
     ((attr store1 < 4.253 and attr store1 > 4.193 ) and 
      (bondedto (attr store1 < 107.235054566  and attr store1 > 106.435054566 ) or 
       bondedto (attr store1 < 154.959163697  and attr store1 > 154.159163697) or 
       bondedto (attr store1 < 59.5109454343  and attr store1 > 58.7109454343 ))) 
6 0.1 0.1 peak 429 volume 14.23252 ppm1 4.223 ppm2 3.237
 
! ############### c13noe.430 folded -
assi (attr store1 < 1.947 and attr store1 > 1.847 )
     ((attr store1 < 3.838 and attr store1 > 3.778 ) and 
      (bondedto (attr store1 < 107.274054566  and attr store1 > 106.474054566 ) or 
       bondedto (attr store1 < 154.998163697  and attr store1 > 154.198163697) or 
       bondedto (attr store1 < 59.5499454343  and attr store1 > 58.7499454343 ))) 
6 0.1 0.1 peak 430 volume 11.56273 ppm1 3.808 ppm2 1.897
 
! ############### c13noe.431 folded +
assi (attr store1 < 1.884 and attr store1 > 1.784 )
     ((attr store1 < 2.756 and attr store1 > 2.696 ) and 
      (bondedto (attr store1 < 130.998109131  and attr store1 > 130.198109131 ) or 
       bondedto (attr store1 < 83.274  and attr store1 > 82.474 ) or 
       bondedto (attr store1 < 35.5498908686  and attr store1 > 34.7498908686 ))) 
6 0.1 0.1 peak 431 volume 7.13556 ppm1 2.726 ppm2 1.834
 
! ############### c13noe.432 folded +
assi (attr store1 < 8.068 and attr store1 > 7.968 )
     ((attr store1 < 2.752 and attr store1 > 2.692 ) and 
      (bondedto (attr store1 < 131.028109131  and attr store1 > 130.228109131 ) or 
       bondedto (attr store1 < 83.304  and attr store1 > 82.504 ) or 
       bondedto (attr store1 < 35.5798908686  and attr store1 > 34.7798908686 ))) 
6 0.1 0.1 peak 432 volume 13.62665 ppm1 2.722 ppm2 8.018
 
! ############### c13noe.433 folded +
assi (attr store1 < 7.215 and attr store1 > 7.115 )
     ((attr store1 < 2.752 and attr store1 > 2.692 ) and 
      (bondedto (attr store1 < 131.004109131  and attr store1 > 130.204109131 ) or 
       bondedto (attr store1 < 83.28  and attr store1 > 82.48 ) or 
       bondedto (attr store1 < 35.5558908686  and attr store1 > 34.7558908686 ))) 
6 0.1 0.1 peak 433 volume 10.24762 ppm1 2.722 ppm2 7.165
 
! ############### c13noe.434 folded +
assi (attr store1 < 4.059 and attr store1 > 3.959 )
     ((attr store1 < 2.75 and attr store1 > 2.69 ) and 
      (bondedto (attr store1 < 131.014109131  and attr store1 > 130.214109131 ) or 
       bondedto (attr store1 < 83.29  and attr store1 > 82.49 ) or 
       bondedto (attr store1 < 35.5658908686  and attr store1 > 34.7658908686 ))) 
6 0.1 0.1 peak 434 volume 14.28150 ppm1 2.720 ppm2 4.009
 
! ############### c13noe.435 folded +
assi (attr store1 < 2.207 and attr store1 > 2.107 )
     ((attr store1 < 2.752 and attr store1 > 2.692 ) and 
      (bondedto (attr store1 < 131.026109131  and attr store1 > 130.226109131 ) or 
       bondedto (attr store1 < 83.302  and attr store1 > 82.502 ) or 
       bondedto (attr store1 < 35.5778908686  and attr store1 > 34.7778908686 ))) 
6 0.1 0.1 peak 435 volume 60.03650 ppm1 2.722 ppm2 2.157
 
! ############### c13noe.436 folded +
assi (attr store1 < 6.303 and attr store1 > 6.203 )
     ((attr store1 < 2.194 and attr store1 > 2.134 ) and 
      (bondedto (attr store1 < 131.004109131  and attr store1 > 130.204109131 ) or 
       bondedto (attr store1 < 83.28  and attr store1 > 82.48 ) or 
       bondedto (attr store1 < 35.5558908686  and attr store1 > 34.7558908686 ))) 
6 0.1 0.1 peak 436 volume 6.88994 ppm1 2.164 ppm2 6.253
 
! ############### c13noe.437 folded +
assi (attr store1 < 2.771 and attr store1 > 2.671 )
     ((attr store1 < 2.19 and attr store1 > 2.13 ) and 
      (bondedto (attr store1 < 131.024109131  and attr store1 > 130.224109131 ) or 
       bondedto (attr store1 < 83.3  and attr store1 > 82.5 ) or 
       bondedto (attr store1 < 35.5758908686  and attr store1 > 34.7758908686 ))) 
6 0.1 0.1 peak 437 volume 54.89038 ppm1 2.160 ppm2 2.721
 
! ############### c13noe.438 folded +
assi (attr store1 < 8.069 and attr store1 > 7.969 )
     ((attr store1 < 2.184 and attr store1 > 2.124 ) and 
      (bondedto (attr store1 < 131.005109131  and attr store1 > 130.205109131 ) or 
       bondedto (attr store1 < 83.281  and attr store1 > 82.481 ) or 
       bondedto (attr store1 < 35.5568908686  and attr store1 > 34.7568908686 ))) 
6 0.1 0.1 peak 438 volume 11.72452 ppm1 2.154 ppm2 8.019
 
! ############### c13noe.439 folded +
assi (attr store1 < 7.212 and attr store1 > 7.112 )
     ((attr store1 < 2.185 and attr store1 > 2.125 ) and 
      (bondedto (attr store1 < 131.014109131  and attr store1 > 130.214109131 ) or 
       bondedto (attr store1 < 83.29  and attr store1 > 82.49 ) or 
       bondedto (attr store1 < 35.5658908686  and attr store1 > 34.7658908686 ))) 
6 0.1 0.1 peak 439 volume 11.90567 ppm1 2.155 ppm2 7.162
 
! ############### c13noe.440 folded +
assi (attr store1 < 4.059 and attr store1 > 3.959 )
     ((attr store1 < 2.185 and attr store1 > 2.125 ) and 
      (bondedto (attr store1 < 131.034109131  and attr store1 > 130.234109131 ) or 
       bondedto (attr store1 < 83.31  and attr store1 > 82.51 ) or 
       bondedto (attr store1 < 35.5858908686  and attr store1 > 34.7858908686 ))) 
6 0.1 0.1 peak 440 volume 14.99310 ppm1 2.155 ppm2 4.009
 
! ############### c13noe.441 folded +
assi (attr store1 < 1.947 and attr store1 > 1.847 )
     ((attr store1 < 2.023 and attr store1 > 1.963 ) and 
      (bondedto (attr store1 < 130.968109131  and attr store1 > 130.168109131 ) or 
       bondedto (attr store1 < 83.244  and attr store1 > 82.444 ) or 
       bondedto (attr store1 < 35.5198908686  and attr store1 > 34.7198908686 ))) 
6 0.1 0.1 peak 441 volume 13.57930 ppm1 1.993 ppm2 1.897
 
! ############### c13noe.442 folded -
assi (attr store1 < 0.991 and attr store1 > 0.891 )
     ((attr store1 < 4.253 and attr store1 > 4.193 ) and 
      (bondedto (attr store1 < 107.131054566  and attr store1 > 106.331054566 ) or 
       bondedto (attr store1 < 154.855163697  and attr store1 > 154.055163697) or 
       bondedto (attr store1 < 59.4069454343  and attr store1 > 58.6069454343 ))) 
6 0.1 0.1 peak 442 volume 6.91541 ppm1 4.223 ppm2 0.941
 
! ############### c13noe.443 folded -
assi (attr store1 < 0.997 and attr store1 > 0.897 )
     ((attr store1 < 4.189 and attr store1 > 4.129 ) and 
      (bondedto (attr store1 < 107.129054566  and attr store1 > 106.329054566 ) or 
       bondedto (attr store1 < 154.853163697  and attr store1 > 154.053163697) or 
       bondedto (attr store1 < 59.4049454343  and attr store1 > 58.6049454343 ))) 
6 0.1 0.1 peak 443 volume 8.25911 ppm1 4.159 ppm2 0.947
 
! ############### c13noe.444 folded -
assi (attr store1 < 0.994 and attr store1 > 0.894 )
     ((attr store1 < 4.126 and attr store1 > 4.066 ) and 
      (bondedto (attr store1 < 107.102054566  and attr store1 > 106.302054566 ) or 
       bondedto (attr store1 < 154.826163697  and attr store1 > 154.026163697) or 
       bondedto (attr store1 < 59.3779454343  and attr store1 > 58.5779454343 ))) 
6 0.1 0.1 peak 444 volume 29.74636 ppm1 4.096 ppm2 0.944
 
! ############### c13noe.445 folded +
assi (attr store1 < 3.914 and attr store1 > 3.814 )
     ((attr store1 < 3.804 and attr store1 > 3.744 ) and 
      (bondedto (attr store1 < 130.918109131  and attr store1 > 130.118109131 ) or 
       bondedto (attr store1 < 83.194  and attr store1 > 82.394 ) or 
       bondedto (attr store1 < 35.4698908686  and attr store1 > 34.6698908686 ))) 
6 0.1 0.1 peak 445 volume 30.28566 ppm1 3.774 ppm2 3.864
 
! ############### c13noe.446 folded +
assi (attr store1 < 2.413 and attr store1 > 2.313 )
     ((attr store1 < 2.751 and attr store1 > 2.691 ) and 
      (bondedto (attr store1 < 130.939109131  and attr store1 > 130.139109131 ) or 
       bondedto (attr store1 < 83.215  and attr store1 > 82.415 ) or 
       bondedto (attr store1 < 35.4908908686  and attr store1 > 34.6908908686 ))) 
6 0.1 0.1 peak 446 volume 19.49492 ppm1 2.721 ppm2 2.363
 
! ############### c13noe.447 folded +
assi (attr store1 < 4.325 and attr store1 > 4.225 )
     ((attr store1 < 1.936 and attr store1 > 1.876 ) and 
      (bondedto (attr store1 < 130.870109131  and attr store1 > 130.070109131 ) or 
       bondedto (attr store1 < 83.146  and attr store1 > 82.346 ) or 
       bondedto (attr store1 < 35.4218908686  and attr store1 > 34.6218908686 ))) 
6 0.1 0.1 peak 447 volume 6.43776 ppm1 1.906 ppm2 4.275
 
! ############### c13noe.448 folded -
assi (attr store1 < 8.209 and attr store1 > 8.109 )
     ((attr store1 < 4.132 and attr store1 > 4.072 ) and 
      (bondedto (attr store1 < 107.042054566  and attr store1 > 106.242054566 ) or 
       bondedto (attr store1 < 154.766163697  and attr store1 > 153.966163697) or 
       bondedto (attr store1 < 59.3179454343  and attr store1 > 58.5179454343 ))) 
6 0.1 0.1 peak 448 volume 23.05994 ppm1 4.102 ppm2 8.159
 
! ############### c13noe.449 folded +
assi (attr store1 < 7.452 and attr store1 > 7.352 )
     ((attr store1 < 2.145 and attr store1 > 2.085 ) and 
      (bondedto (attr store1 < 130.818109131  and attr store1 > 130.018109131 ) or 
       bondedto (attr store1 < 83.094  and attr store1 > 82.294 ) or 
       bondedto (attr store1 < 35.3698908686  and attr store1 > 34.5698908686 ))) 
6 0.1 0.1 peak 449 volume 14.40527 ppm1 2.115 ppm2 7.402
 
! ############### c13noe.450 folded +
assi (attr store1 < 7.805 and attr store1 > 7.705 )
     ((attr store1 < 2.139 and attr store1 > 2.079 ) and 
      (bondedto (attr store1 < 130.828109131  and attr store1 > 130.028109131 ) or 
       bondedto (attr store1 < 83.104  and attr store1 > 82.304 ) or 
       bondedto (attr store1 < 35.3798908686  and attr store1 > 34.5798908686 ))) 
6 0.1 0.1 peak 450 volume 8.00103 ppm1 2.109 ppm2 7.755
 
! ############### c13noe.451 folded +
assi (attr store1 < 6.571 and attr store1 > 6.471 )
     ((attr store1 < 2.143 and attr store1 > 2.083 ) and 
      (bondedto (attr store1 < 130.818109131  and attr store1 > 130.018109131 ) or 
       bondedto (attr store1 < 83.094  and attr store1 > 82.294 ) or 
       bondedto (attr store1 < 35.3698908686  and attr store1 > 34.5698908686 ))) 
6 0.1 0.1 peak 451 volume 8.97263 ppm1 2.113 ppm2 6.521
 
! ############### c13noe.452 folded +
assi (attr store1 < 1.963 and attr store1 > 1.863 )
     ((attr store1 < 2.14 and attr store1 > 2.08 ) and 
      (bondedto (attr store1 < 130.817109131  and attr store1 > 130.017109131 ) or 
       bondedto (attr store1 < 83.093  and attr store1 > 82.293 ) or 
       bondedto (attr store1 < 35.3688908686  and attr store1 > 34.5688908686 ))) 
6 0.1 0.1 peak 452 volume 181.91888 ppm1 2.110 ppm2 1.913
 
! ############### c13noe.453 folded +
assi (attr store1 < 7.989 and attr store1 > 7.889 )
     ((attr store1 < 2.138 and attr store1 > 2.078 ) and 
      (bondedto (attr store1 < 130.828109131  and attr store1 > 130.028109131 ) or 
       bondedto (attr store1 < 83.104  and attr store1 > 82.304 ) or 
       bondedto (attr store1 < 35.3798908686  and attr store1 > 34.5798908686 ))) 
6 0.1 0.1 peak 453 volume 6.78792 ppm1 2.108 ppm2 7.939
 
! ############### c13noe.454 folded +
assi (attr store1 < 4.32 and attr store1 > 4.22 )
     ((attr store1 < 2.137 and attr store1 > 2.077 ) and 
      (bondedto (attr store1 < 130.839109131  and attr store1 > 130.039109131 ) or 
       bondedto (attr store1 < 83.115  and attr store1 > 82.315 ) or 
       bondedto (attr store1 < 35.3908908686  and attr store1 > 34.5908908686 ))) 
6 0.1 0.1 peak 454 volume 8.55560 ppm1 2.107 ppm2 4.270
 
! ############### c13noe.455 folded +
assi (attr store1 < 4.17 and attr store1 > 4.07 )
     ((attr store1 < 2.137 and attr store1 > 2.077 ) and 
      (bondedto (attr store1 < 130.848109131  and attr store1 > 130.048109131 ) or 
       bondedto (attr store1 < 83.124  and attr store1 > 82.324 ) or 
       bondedto (attr store1 < 35.3998908686  and attr store1 > 34.5998908686 ))) 
6 0.1 0.1 peak 455 volume 17.20020 ppm1 2.107 ppm2 4.120
 
! ############### c13noe.456 folded +
assi (attr store1 < 1.807 and attr store1 > 1.707 )
     ((attr store1 < 2.137 and attr store1 > 2.077 ) and 
      (bondedto (attr store1 < 130.824109131  and attr store1 > 130.024109131 ) or 
       bondedto (attr store1 < 83.1  and attr store1 > 82.3 ) or 
       bondedto (attr store1 < 35.3758908686  and attr store1 > 34.5758908686 ))) 
6 0.1 0.1 peak 456 volume 44.03057 ppm1 2.107 ppm2 1.757
 
! ############### c13noe.457 folded +
assi (attr store1 < 0.704 and attr store1 > 0.604 )
     ((attr store1 < 2.138 and attr store1 > 2.078 ) and 
      (bondedto (attr store1 < 130.815109131  and attr store1 > 130.015109131 ) or 
       bondedto (attr store1 < 83.091  and attr store1 > 82.291 ) or 
       bondedto (attr store1 < 35.3668908686  and attr store1 > 34.5668908686 ))) 
6 0.1 0.1 peak 457 volume 15.07465 ppm1 2.108 ppm2 0.654
 
! ############### c13noe.458 folded +
assi (attr store1 < 4.174 and attr store1 > 4.074 )
     ((attr store1 < 1.942 and attr store1 > 1.882 ) and 
      (bondedto (attr store1 < 130.825109131  and attr store1 > 130.025109131 ) or 
       bondedto (attr store1 < 83.101  and attr store1 > 82.301 ) or 
       bondedto (attr store1 < 35.3768908686  and attr store1 > 34.5768908686 ))) 
6 0.1 0.1 peak 458 volume 16.02711 ppm1 1.912 ppm2 4.124
 
! ############### c13noe.459 folded +
assi (attr store1 < 7.451 and attr store1 > 7.351 )
     ((attr store1 < 1.938 and attr store1 > 1.878 ) and 
      (bondedto (attr store1 < 130.798109131  and attr store1 > 129.998109131 ) or 
       bondedto (attr store1 < 83.074  and attr store1 > 82.274 ) or 
       bondedto (attr store1 < 35.3498908686  and attr store1 > 34.5498908686 ))) 
6 0.1 0.1 peak 459 volume 11.11382 ppm1 1.908 ppm2 7.401
 
! ############### c13noe.460 folded +
assi (attr store1 < 6.568 and attr store1 > 6.468 )
     ((attr store1 < 1.938 and attr store1 > 1.878 ) and 
      (bondedto (attr store1 < 130.815109131  and attr store1 > 130.015109131 ) or 
       bondedto (attr store1 < 83.091  and attr store1 > 82.291 ) or 
       bondedto (attr store1 < 35.3668908686  and attr store1 > 34.5668908686 ))) 
6 0.1 0.1 peak 460 volume 11.57170 ppm1 1.908 ppm2 6.518
 
! ############### c13noe.461 folded +
assi (attr store1 < 2.163 and attr store1 > 2.063 )
     ((attr store1 < 1.936 and attr store1 > 1.876 ) and 
      (bondedto (attr store1 < 130.816109131  and attr store1 > 130.016109131 ) or 
       bondedto (attr store1 < 83.092  and attr store1 > 82.292 ) or 
       bondedto (attr store1 < 35.3678908686  and attr store1 > 34.5678908686 ))) 
6 0.1 0.1 peak 461 volume 169.05667 ppm1 1.906 ppm2 2.113
 
! ############### c13noe.462 folded +
assi (attr store1 < 1.816 and attr store1 > 1.716 )
     ((attr store1 < 1.937 and attr store1 > 1.877 ) and 
      (bondedto (attr store1 < 130.797109131  and attr store1 > 129.997109131 ) or 
       bondedto (attr store1 < 83.073  and attr store1 > 82.273 ) or 
       bondedto (attr store1 < 35.3488908686  and attr store1 > 34.5488908686 ))) 
6 0.1 0.1 peak 462 volume 50.21904 ppm1 1.907 ppm2 1.766
 
! ############### c13noe.463 folded +
assi (attr store1 < 7.802 and attr store1 > 7.702 )
     ((attr store1 < 1.933 and attr store1 > 1.873 ) and 
      (bondedto (attr store1 < 130.828109131  and attr store1 > 130.028109131 ) or 
       bondedto (attr store1 < 83.104  and attr store1 > 82.304 ) or 
       bondedto (attr store1 < 35.3798908686  and attr store1 > 34.5798908686 ))) 
6 0.1 0.1 peak 463 volume 11.26328 ppm1 1.903 ppm2 7.752
 
! ############### c13noe.464 folded +
assi (attr store1 < 0.703 and attr store1 > 0.603 )
     ((attr store1 < 1.933 and attr store1 > 1.873 ) and 
      (bondedto (attr store1 < 130.845109131  and attr store1 > 130.045109131 ) or 
       bondedto (attr store1 < 83.121  and attr store1 > 82.321 ) or 
       bondedto (attr store1 < 35.3968908686  and attr store1 > 34.5968908686 ))) 
6 0.1 0.1 peak 464 volume 13.60530 ppm1 1.903 ppm2 0.653
 
! ############### c13noe.465 folded -
assi (attr store1 < 3.422 and attr store1 > 3.322 )
     ((attr store1 < 4.505 and attr store1 > 4.445 ) and 
      (bondedto (attr store1 < 106.959054566  and attr store1 > 106.159054566 ) or 
       bondedto (attr store1 < 154.683163697  and attr store1 > 153.883163697) or 
       bondedto (attr store1 < 59.2349454343  and attr store1 > 58.4349454343 ))) 
6 0.1 0.1 peak 465 volume 7.57778 ppm1 4.475 ppm2 3.372
 
! ############### c13noe.466 folded -
assi (attr store1 < 8.627 and attr store1 > 8.527 )
     ((attr store1 < 4.147 and attr store1 > 4.087 ) and 
      (bondedto (attr store1 < 106.969054566  and attr store1 > 106.169054566 ) or 
       bondedto (attr store1 < 154.693163697  and attr store1 > 153.893163697) or 
       bondedto (attr store1 < 59.2449454343  and attr store1 > 58.4449454343 ))) 
6 0.1 0.1 peak 466 volume 15.17184 ppm1 4.117 ppm2 8.577
 
! ############### c13noe.467 folded -
assi (attr store1 < 8.047 and attr store1 > 7.947 )
     ((attr store1 < 4.146 and attr store1 > 4.086 ) and 
      (bondedto (attr store1 < 106.941054566  and attr store1 > 106.141054566 ) or 
       bondedto (attr store1 < 154.665163697  and attr store1 > 153.865163697) or 
       bondedto (attr store1 < 59.2169454343  and attr store1 > 58.4169454343 ))) 
6 0.1 0.1 peak 467 volume 11.54974 ppm1 4.116 ppm2 7.997
 
! ############### c13noe.468 folded -
assi (attr store1 < 4.744 and attr store1 > 4.644 )
     ((attr store1 < 4.146 and attr store1 > 4.086 ) and 
      (bondedto (attr store1 < 106.921054566  and attr store1 > 106.121054566 ) or 
       bondedto (attr store1 < 154.645163697  and attr store1 > 153.845163697) or 
       bondedto (attr store1 < 59.1969454343  and attr store1 > 58.3969454343 ))) 
6 0.1 0.1 peak 468 volume 8.20976 ppm1 4.116 ppm2 4.694
 
! ############### c13noe.469 folded -
assi (attr store1 < 3.051 and attr store1 > 2.951 )
     ((attr store1 < 4.146 and attr store1 > 4.086 ) and 
      (bondedto (attr store1 < 106.992054566  and attr store1 > 106.192054566 ) or 
       bondedto (attr store1 < 154.716163697  and attr store1 > 153.916163697) or 
       bondedto (attr store1 < 59.2679454343  and attr store1 > 58.4679454343 ))) 
6 0.1 0.1 peak 469 volume 8.60666 ppm1 4.116 ppm2 3.001
 
! ############### c13noe.470 folded -
assi (attr store1 < 1.882 and attr store1 > 1.782 )
     ((attr store1 < 4.145 and attr store1 > 4.085 ) and 
      (bondedto (attr store1 < 106.994054566  and attr store1 > 106.194054566 ) or 
       bondedto (attr store1 < 154.718163697  and attr store1 > 153.918163697) or 
       bondedto (attr store1 < 59.2699454343  and attr store1 > 58.4699454343 ))) 
6 0.1 0.1 peak 470 volume 56.59488 ppm1 4.115 ppm2 1.832
 
! ############### c13noe.471 folded -
assi (attr store1 < 1.59 and attr store1 > 1.49 )
     ((attr store1 < 4.145 and attr store1 > 4.085 ) and 
      (bondedto (attr store1 < 106.957054566  and attr store1 > 106.157054566 ) or 
       bondedto (attr store1 < 154.681163697  and attr store1 > 153.881163697) or 
       bondedto (attr store1 < 59.2329454343  and attr store1 > 58.4329454343 ))) 
6 0.1 0.1 peak 471 volume 16.98428 ppm1 4.115 ppm2 1.540
 
! ############### c13noe.472 folded -
assi (attr store1 < 8.419 and attr store1 > 8.319 )
     ((attr store1 < 4.142 and attr store1 > 4.082 ) and 
      (bondedto (attr store1 < 106.927054566  and attr store1 > 106.127054566 ) or 
       bondedto (attr store1 < 154.651163697  and attr store1 > 153.851163697) or 
       bondedto (attr store1 < 59.2029454343  and attr store1 > 58.4029454343 ))) 
6 0.1 0.1 peak 472 volume 16.06494 ppm1 4.112 ppm2 8.369
 
! ############### c13noe.473 folded -
assi (attr store1 < 2.593 and attr store1 > 2.493 )
     ((attr store1 < 4.138 and attr store1 > 4.078 ) and 
      (bondedto (attr store1 < 106.950054566  and attr store1 > 106.150054566 ) or 
       bondedto (attr store1 < 154.674163697  and attr store1 > 153.874163697) or 
       bondedto (attr store1 < 59.2259454343  and attr store1 > 58.4259454343 ))) 
6 0.1 0.1 peak 473 volume 33.90437 ppm1 4.108 ppm2 2.543
 
! ############### c13noe.474 folded -
assi (attr store1 < 2.258 and attr store1 > 2.158 )
     ((attr store1 < 4.141 and attr store1 > 4.081 ) and 
      (bondedto (attr store1 < 106.963054566  and attr store1 > 106.163054566 ) or 
       bondedto (attr store1 < 154.687163697  and attr store1 > 153.887163697) or 
       bondedto (attr store1 < 59.2389454343  and attr store1 > 58.4389454343 ))) 
6 0.1 0.1 peak 474 volume 62.42385 ppm1 4.111 ppm2 2.208
 
! ############### c13noe.475 folded -
assi (attr store1 < 1.671 and attr store1 > 1.571 )
     ((attr store1 < 4.141 and attr store1 > 4.081 ) and 
      (bondedto (attr store1 < 106.937054566  and attr store1 > 106.137054566 ) or 
       bondedto (attr store1 < 154.661163697  and attr store1 > 153.861163697) or 
       bondedto (attr store1 < 59.2129454343  and attr store1 > 58.4129454343 ))) 
6 0.1 0.1 peak 475 volume 22.35125 ppm1 4.111 ppm2 1.621
 
! ############### c13noe.476 folded -
assi (attr store1 < 2.328 and attr store1 > 2.228 )
     ((attr store1 < 4.136 and attr store1 > 4.076 ) and 
      (bondedto (attr store1 < 106.951054566  and attr store1 > 106.151054566 ) or 
       bondedto (attr store1 < 154.675163697  and attr store1 > 153.875163697) or 
       bondedto (attr store1 < 59.2269454343  and attr store1 > 58.4269454343 ))) 
6 0.1 0.1 peak 476 volume 42.19561 ppm1 4.106 ppm2 2.278
 
! ############### c13noe.477 folded -
assi (attr store1 < 7.867 and attr store1 > 7.767 )
     ((attr store1 < 4.132 and attr store1 > 4.072 ) and 
      (bondedto (attr store1 < 106.972054566  and attr store1 > 106.172054566 ) or 
       bondedto (attr store1 < 154.696163697  and attr store1 > 153.896163697) or 
       bondedto (attr store1 < 59.2479454343  and attr store1 > 58.4479454343 ))) 
6 0.1 0.1 peak 477 volume 15.06658 ppm1 4.102 ppm2 7.817
 
! ############### c13noe.478 folded +
assi (attr store1 < 3.717 and attr store1 > 3.617 )
     ((attr store1 < 3.865 and attr store1 > 3.805 ) and 
      (bondedto (attr store1 < 130.743109131  and attr store1 > 129.943109131 ) or 
       bondedto (attr store1 < 83.019  and attr store1 > 82.219 ) or 
       bondedto (attr store1 < 35.2948908686  and attr store1 > 34.4948908686 ))) 
6 0.1 0.1 peak 478 volume 26.31803 ppm1 3.835 ppm2 3.667
 
! ############### c13noe.479 folded +
assi (attr store1 < 3.885 and attr store1 > 3.785 )
     ((attr store1 < 3.698 and attr store1 > 3.638 ) and 
      (bondedto (attr store1 < 130.743109131  and attr store1 > 129.943109131 ) or 
       bondedto (attr store1 < 83.019  and attr store1 > 82.219 ) or 
       bondedto (attr store1 < 35.2948908686  and attr store1 > 34.4948908686 ))) 
6 0.1 0.1 peak 479 volume 24.49479 ppm1 3.668 ppm2 3.835
 
! ############### c13noe.480 folded +
assi (attr store1 < 1.164 and attr store1 > 1.064 )
     ((attr store1 < 0.977 and attr store1 > 0.917 ) and 
      (bondedto (attr store1 < 130.723109131  and attr store1 > 129.923109131 ) or 
       bondedto (attr store1 < 82.999  and attr store1 > 82.199 ) or 
       bondedto (attr store1 < 35.2748908686  and attr store1 > 34.4748908686 ))) 
6 0.1 0.1 peak 480 volume 12.27934 ppm1 0.947 ppm2 1.114
 
! ############### c13noe.481 folded -
assi (attr store1 < 7.454 and attr store1 > 7.354 )
     ((attr store1 < 4.152 and attr store1 > 4.092 ) and 
      (bondedto (attr store1 < 106.841054566  and attr store1 > 106.041054566 ) or 
       bondedto (attr store1 < 154.565163697  and attr store1 > 153.765163697) or 
       bondedto (attr store1 < 59.1169454343  and attr store1 > 58.3169454343 ))) 
6 0.1 0.1 peak 481 volume 21.77053 ppm1 4.122 ppm2 7.404
 
! ############### c13noe.482 folded -
assi (attr store1 < 7.973 and attr store1 > 7.873 )
     ((attr store1 < 4.146 and attr store1 > 4.086 ) and 
      (bondedto (attr store1 < 106.868054566  and attr store1 > 106.068054566 ) or 
       bondedto (attr store1 < 154.592163697  and attr store1 > 153.792163697) or 
       bondedto (attr store1 < 59.1439454343  and attr store1 > 58.3439454343 ))) 
6 0.1 0.1 peak 482 volume 9.54412 ppm1 4.116 ppm2 7.923
 
! ############### c13noe.483 folded -
assi (attr store1 < 2.145 and attr store1 > 2.045 )
     ((attr store1 < 4.146 and attr store1 > 4.086 ) and 
      (bondedto (attr store1 < 106.854054566  and attr store1 > 106.054054566 ) or 
       bondedto (attr store1 < 154.578163697  and attr store1 > 153.778163697) or 
       bondedto (attr store1 < 59.1299454343  and attr store1 > 58.3299454343 ))) 
6 0.1 0.1 peak 483 volume 41.81424 ppm1 4.116 ppm2 2.095
 
! ############### c13noe.484 folded -
assi (attr store1 < 1.988 and attr store1 > 1.888 )
     ((attr store1 < 4.147 and attr store1 > 4.087 ) and 
      (bondedto (attr store1 < 106.861054566  and attr store1 > 106.061054566 ) or 
       bondedto (attr store1 < 154.585163697  and attr store1 > 153.785163697) or 
       bondedto (attr store1 < 59.1369454343  and attr store1 > 58.3369454343 ))) 
6 0.1 0.1 peak 484 volume 36.44501 ppm1 4.117 ppm2 1.938
 
! ############### c13noe.485 folded -
assi (attr store1 < 1.774 and attr store1 > 1.674 )
     ((attr store1 < 4.146 and attr store1 > 4.086 ) and 
      (bondedto (attr store1 < 106.891054566  and attr store1 > 106.091054566 ) or 
       bondedto (attr store1 < 154.615163697  and attr store1 > 153.815163697) or 
       bondedto (attr store1 < 59.1669454343  and attr store1 > 58.3669454343 ))) 
6 0.1 0.1 peak 485 volume 49.63582 ppm1 4.116 ppm2 1.724
 
! ############### c13noe.486 folded -
assi (attr store1 < 7.868 and attr store1 > 7.768 )
     ((attr store1 < 4.143 and attr store1 > 4.083 ) and 
      (bondedto (attr store1 < 106.891054566  and attr store1 > 106.091054566 ) or 
       bondedto (attr store1 < 154.615163697  and attr store1 > 153.815163697) or 
       bondedto (attr store1 < 59.1669454343  and attr store1 > 58.3669454343 ))) 
6 0.1 0.1 peak 486 volume 14.87062 ppm1 4.113 ppm2 7.818
 
! ############### c13noe.487 folded -
assi (attr store1 < 2.179 and attr store1 > 2.079 )
     ((attr store1 < 4.137 and attr store1 > 4.077 ) and 
      (bondedto (attr store1 < 106.888054566  and attr store1 > 106.088054566 ) or 
       bondedto (attr store1 < 154.612163697  and attr store1 > 153.812163697) or 
       bondedto (attr store1 < 59.1639454343  and attr store1 > 58.3639454343 ))) 
6 0.1 0.1 peak 487 volume 36.83437 ppm1 4.107 ppm2 2.129
 
! ############### c13noe.488 folded -
assi (attr store1 < 1.582 and attr store1 > 1.482 )
     ((attr store1 < 3.958 and attr store1 > 3.898 ) and 
      (bondedto (attr store1 < 106.844054566  and attr store1 > 106.044054566 ) or 
       bondedto (attr store1 < 154.568163697  and attr store1 > 153.768163697) or 
       bondedto (attr store1 < 59.1199454343  and attr store1 > 58.3199454343 ))) 
6 0.1 0.1 peak 488 volume 36.76405 ppm1 3.928 ppm2 1.532
 
! ############### c13noe.489 folded -
assi (attr store1 < 1.007 and attr store1 > 0.907 )
     ((attr store1 < 3.957 and attr store1 > 3.897 ) and 
      (bondedto (attr store1 < 106.831054566  and attr store1 > 106.031054566 ) or 
       bondedto (attr store1 < 154.555163697  and attr store1 > 153.755163697) or 
       bondedto (attr store1 < 59.1069454343  and attr store1 > 58.3069454343 ))) 
6 0.1 0.1 peak 489 volume 44.75651 ppm1 3.927 ppm2 0.957
 
! ############### c13noe.490 folded -
assi (attr store1 < 8.563 and attr store1 > 8.463 )
     ((attr store1 < 3.953 and attr store1 > 3.893 ) and 
      (bondedto (attr store1 < 106.832054566  and attr store1 > 106.032054566 ) or 
       bondedto (attr store1 < 154.556163697  and attr store1 > 153.756163697) or 
       bondedto (attr store1 < 59.1079454343  and attr store1 > 58.3079454343 ))) 
6 0.1 0.1 peak 490 volume 8.4528 ppm1 3.923 ppm2 8.513
 
! ############### c13noe.491 folded -
assi (attr store1 < 8.486 and attr store1 > 8.386 )
     ((attr store1 < 3.954 and attr store1 > 3.894 ) and 
      (bondedto (attr store1 < 106.861054566  and attr store1 > 106.061054566 ) or 
       bondedto (attr store1 < 154.585163697  and attr store1 > 153.785163697) or 
       bondedto (attr store1 < 59.1369454343  and attr store1 > 58.3369454343 ))) 
6 0.1 0.1 peak 491 volume 6.78256 ppm1 3.924 ppm2 8.436
 
! ############### c13noe.492 folded -
assi (attr store1 < 8.005 and attr store1 > 7.905 )
     ((attr store1 < 3.956 and attr store1 > 3.896 ) and 
      (bondedto (attr store1 < 106.841054566  and attr store1 > 106.041054566 ) or 
       bondedto (attr store1 < 154.565163697  and attr store1 > 153.765163697) or 
       bondedto (attr store1 < 59.1169454343  and attr store1 > 58.3169454343 ))) 
6 0.1 0.1 peak 492 volume 11.64436 ppm1 3.926 ppm2 7.955
 
! ############### c13noe.493 folded -
assi (attr store1 < 1.251 and attr store1 > 1.151 )
     ((attr store1 < 1.477 and attr store1 > 1.417 ) and 
      (bondedto (attr store1 < 106.860054566  and attr store1 > 106.060054566 ) or 
       bondedto (attr store1 < 154.584163697  and attr store1 > 153.784163697) or 
       bondedto (attr store1 < 59.1359454343  and attr store1 > 58.3359454343 ))) 
6 0.1 0.1 peak 493 volume 26.43305 ppm1 1.447 ppm2 1.201
 
! ############### c13noe.494 folded -
assi (attr store1 < 1.5 and attr store1 > 1.4 )
     ((attr store1 < 1.239 and attr store1 > 1.179 ) and 
      (bondedto (attr store1 < 106.853054566  and attr store1 > 106.053054566 ) or 
       bondedto (attr store1 < 154.577163697  and attr store1 > 153.777163697) or 
       bondedto (attr store1 < 59.1289454343  and attr store1 > 58.3289454343 ))) 
6 0.1 0.1 peak 494 volume 26.74499 ppm1 1.209 ppm2 1.450
 
! ############### c13noe.495 folded -
assi (attr store1 < 2.757 and attr store1 > 2.657 )
     ((attr store1 < 4.04 and attr store1 > 3.98 ) and 
      (bondedto (attr store1 < 106.767054566  and attr store1 > 105.967054566 ) or 
       bondedto (attr store1 < 154.491163697  and attr store1 > 153.691163697) or 
       bondedto (attr store1 < 59.0429454343  and attr store1 > 58.2429454343 ))) 
6 0.1 0.1 peak 495 volume 10.24084 ppm1 4.010 ppm2 2.707
 
! ############### c13noe.496 folded -
assi (attr store1 < 2.418 and attr store1 > 2.318 )
     ((attr store1 < 4.04 and attr store1 > 3.98 ) and 
      (bondedto (attr store1 < 106.740054566  and attr store1 > 105.940054566 ) or 
       bondedto (attr store1 < 154.464163697  and attr store1 > 153.664163697) or 
       bondedto (attr store1 < 59.0159454343  and attr store1 > 58.2159454343 ))) 
6 0.1 0.1 peak 496 volume 23.10198 ppm1 4.010 ppm2 2.368
 
! ############### c13noe.497 folded -
assi (attr store1 < 2.192 and attr store1 > 2.092 )
     ((attr store1 < 4.041 and attr store1 > 3.981 ) and 
      (bondedto (attr store1 < 106.766054566  and attr store1 > 105.966054566 ) or 
       bondedto (attr store1 < 154.490163697  and attr store1 > 153.690163697) or 
       bondedto (attr store1 < 59.0419454343  and attr store1 > 58.2419454343 ))) 
6 0.1 0.1 peak 497 volume 21.57541 ppm1 4.011 ppm2 2.142
 
! ############### c13noe.498 folded -
assi (attr store1 < 2.133 and attr store1 > 2.033 )
     ((attr store1 < 4.04 and attr store1 > 3.98 ) and 
      (bondedto (attr store1 < 106.755054566  and attr store1 > 105.955054566 ) or 
       bondedto (attr store1 < 154.479163697  and attr store1 > 153.679163697) or 
       bondedto (attr store1 < 59.0309454343  and attr store1 > 58.2309454343 ))) 
6 0.1 0.1 peak 498 volume 25.94138 ppm1 4.010 ppm2 2.083
 
! ############### c13noe.499 folded -
assi (attr store1 < 1.847 and attr store1 > 1.747 )
     ((attr store1 < 4.036 and attr store1 > 3.976 ) and 
      (bondedto (attr store1 < 106.771054566  and attr store1 > 105.971054566 ) or 
       bondedto (attr store1 < 154.495163697  and attr store1 > 153.695163697) or 
       bondedto (attr store1 < 59.0469454343  and attr store1 > 58.2469454343 ))) 
6 0.1 0.1 peak 499 volume 10.85959 ppm1 4.006 ppm2 1.797
 
! ############### c13noe.500 folded -
assi (attr store1 < 1.928 and attr store1 > 1.828 )
     ((attr store1 < 3.965 and attr store1 > 3.905 ) and 
      (bondedto (attr store1 < 106.779054566  and attr store1 > 105.979054566 ) or 
       bondedto (attr store1 < 154.503163697  and attr store1 > 153.703163697) or 
       bondedto (attr store1 < 59.0549454343  and attr store1 > 58.2549454343 ))) 
6 0.1 0.1 peak 500 volume 11.16976 ppm1 3.935 ppm2 1.878
 
! ############### c13noe.501 folded -
assi (attr store1 < 2.222 and attr store1 > 2.122 )
     ((attr store1 < 3.955 and attr store1 > 3.895 ) and 
      (bondedto (attr store1 < 106.775054566  and attr store1 > 105.975054566 ) or 
       bondedto (attr store1 < 154.499163697  and attr store1 > 153.699163697) or 
       bondedto (attr store1 < 59.0509454343  and attr store1 > 58.2509454343 ))) 
6 0.1 0.1 peak 501 volume 14.02547 ppm1 3.925 ppm2 2.172
 
! ############### c13noe.502 folded -
assi (attr store1 < 1.089 and attr store1 > 0.989 )
     ((attr store1 < 3.954 and attr store1 > 3.894 ) and 
      (bondedto (attr store1 < 106.771054566  and attr store1 > 105.971054566 ) or 
       bondedto (attr store1 < 154.495163697  and attr store1 > 153.695163697) or 
       bondedto (attr store1 < 59.0469454343  and attr store1 > 58.2469454343 ))) 
6 0.1 0.1 peak 502 volume 10.20585 ppm1 3.924 ppm2 1.039
 
! ############### c13noe.503 folded -
assi (attr store1 < 1.91 and attr store1 > 1.81 )
     ((attr store1 < 3.951 and attr store1 > 3.891 ) and 
      (bondedto (attr store1 < 106.788054566  and attr store1 > 105.988054566 ) or 
       bondedto (attr store1 < 154.512163697  and attr store1 > 153.712163697) or 
       bondedto (attr store1 < 59.0639454343  and attr store1 > 58.2639454343 ))) 
6 0.1 0.1 peak 503 volume 11.50132 ppm1 3.921 ppm2 1.860
 
! ############### c13noe.504 folded -
assi (attr store1 < 8.076 and attr store1 > 7.976 )
     ((attr store1 < 4.041 and attr store1 > 3.981 ) and 
      (bondedto (attr store1 < 106.710054566  and attr store1 > 105.910054566 ) or 
       bondedto (attr store1 < 154.434163697  and attr store1 > 153.634163697) or 
       bondedto (attr store1 < 58.9859454343  and attr store1 > 58.1859454343 ))) 
6 0.1 0.1 peak 504 volume 17.5639 ppm1 4.011 ppm2 8.026
 
! ############### c13noe.505 folded -
assi (attr store1 < 2.372 and attr store1 > 2.272 )
     ((attr store1 < 4.042 and attr store1 > 3.982 ) and 
      (bondedto (attr store1 < 106.648054566  and attr store1 > 105.848054566 ) or 
       bondedto (attr store1 < 154.372163697  and attr store1 > 153.572163697) or 
       bondedto (attr store1 < 58.9239454343  and attr store1 > 58.1239454343 ))) 
6 0.1 0.1 peak 505 volume 24.71996 ppm1 4.012 ppm2 2.322
 
! ############### c13noe.506 folded -
assi (attr store1 < 7.772 and attr store1 > 7.672 )
     ((attr store1 < 4.039 and attr store1 > 3.979 ) and 
      (bondedto (attr store1 < 106.642054566  and attr store1 > 105.842054566 ) or 
       bondedto (attr store1 < 154.366163697  and attr store1 > 153.566163697) or 
       bondedto (attr store1 < 58.9179454343  and attr store1 > 58.1179454343 ))) 
6 0.1 0.1 peak 506 volume 14.31426 ppm1 4.009 ppm2 7.722
 
! ############### c13noe.507 folded -
assi (attr store1 < 2.028 and attr store1 > 1.928 )
     ((attr store1 < 4.039 and attr store1 > 3.979 ) and 
      (bondedto (attr store1 < 106.660054566  and attr store1 > 105.860054566 ) or 
       bondedto (attr store1 < 154.384163697  and attr store1 > 153.584163697) or 
       bondedto (attr store1 < 58.9359454343  and attr store1 > 58.1359454343 ))) 
6 0.1 0.1 peak 507 volume 9.03813 ppm1 4.009 ppm2 1.978
 
! ############### c13noe.508 folded -
assi (attr store1 < 1.163 and attr store1 > 1.063 )
     ((attr store1 < 4.038 and attr store1 > 3.978 ) and 
      (bondedto (attr store1 < 106.668054566  and attr store1 > 105.868054566 ) or 
       bondedto (attr store1 < 154.392163697  and attr store1 > 153.592163697) or 
       bondedto (attr store1 < 58.9439454343  and attr store1 > 58.1439454343 ))) 
6 0.1 0.1 peak 508 volume 21.25969 ppm1 4.008 ppm2 1.113
 
! ############### c13noe.509 folded -
assi (attr store1 < 3.91 and attr store1 > 3.81 )
     ((attr store1 < 3.804 and attr store1 > 3.744 ) and 
      (bondedto (attr store1 < 106.642054566  and attr store1 > 105.842054566 ) or 
       bondedto (attr store1 < 154.366163697  and attr store1 > 153.566163697) or 
       bondedto (attr store1 < 58.9179454343  and attr store1 > 58.1179454343 ))) 
6 0.1 0.1 peak 509 volume 30.54033 ppm1 3.774 ppm2 3.860
 
! ############### c13noe.510 folded -
assi (attr store1 < 2.361 and attr store1 > 2.261 )
     ((attr store1 < 1.972 and attr store1 > 1.912 ) and 
      (bondedto (attr store1 < 106.647054566  and attr store1 > 105.847054566 ) or 
       bondedto (attr store1 < 154.371163697  and attr store1 > 153.571163697) or 
       bondedto (attr store1 < 58.9229454343  and attr store1 > 58.1229454343 ))) 
6 0.1 0.1 peak 510 volume 19.5822 ppm1 1.942 ppm2 2.311
 
! ############### c13noe.511 folded +
assi (attr store1 < 1.773 and attr store1 > 1.673 )
     ((attr store1 < 3.283 and attr store1 > 3.223 ) and 
      (bondedto (attr store1 < 130.454109131  and attr store1 > 129.654109131 ) or 
       bondedto (attr store1 < 82.73  and attr store1 > 81.93 ) or 
       bondedto (attr store1 < 35.0058908686  and attr store1 > 34.2058908686 ))) 
6 0.1 0.1 peak 511 volume 10.81071 ppm1 3.253 ppm2 1.723
 
! ############### c13noe.512 folded +
assi (attr store1 < 2.414 and attr store1 > 2.314 )
     ((attr store1 < 2.233 and attr store1 > 2.173 ) and 
      (bondedto (attr store1 < 130.431109131  and attr store1 > 129.631109131 ) or 
       bondedto (attr store1 < 82.707  and attr store1 > 81.907 ) or 
       bondedto (attr store1 < 34.9828908686  and attr store1 > 34.1828908686 ))) 
6 0.1 0.1 peak 512 volume 73.29673 ppm1 2.203 ppm2 2.364
 
! ############### c13noe.513 folded +
assi (attr store1 < 1.246 and attr store1 > 1.146 )
     ((attr store1 < 1.494 and attr store1 > 1.434 ) and 
      (bondedto (attr store1 < 130.428109131  and attr store1 > 129.628109131 ) or 
       bondedto (attr store1 < 82.704  and attr store1 > 81.904 ) or 
       bondedto (attr store1 < 34.9798908686  and attr store1 > 34.1798908686 ))) 
6 0.1 0.1 peak 513 volume 11.70050 ppm1 1.464 ppm2 1.196
 
! ############### c13noe.514 folded +
assi (attr store1 < 1.505 and attr store1 > 1.405 )
     ((attr store1 < 1.233 and attr store1 > 1.173 ) and 
      (bondedto (attr store1 < 130.408109131  and attr store1 > 129.608109131 ) or 
       bondedto (attr store1 < 82.684  and attr store1 > 81.884 ) or 
       bondedto (attr store1 < 34.9598908686  and attr store1 > 34.1598908686 ))) 
6 0.1 0.1 peak 514 volume 10.74144 ppm1 1.203 ppm2 1.455
 
! ############### c13noe.515 folded -
assi (attr store1 < 8.163 and attr store1 > 8.063 )
     ((attr store1 < 4.294 and attr store1 > 4.234 ) and 
      (bondedto (attr store1 < 106.536054566  and attr store1 > 105.736054566 ) or 
       bondedto (attr store1 < 154.260163697  and attr store1 > 153.460163697) or 
       bondedto (attr store1 < 58.8119454343  and attr store1 > 58.0119454343 ))) 
6 0.1 0.1 peak 515 volume 8.82825 ppm1 4.264 ppm2 8.113
 
! ############### c13noe.516 folded -
assi (attr store1 < 2.762 and attr store1 > 2.662 )
     ((attr store1 < 4.293 and attr store1 > 4.233 ) and 
      (bondedto (attr store1 < 106.562054566  and attr store1 > 105.762054566 ) or 
       bondedto (attr store1 < 154.286163697  and attr store1 > 153.486163697) or 
       bondedto (attr store1 < 58.8379454343  and attr store1 > 58.0379454343 ))) 
6 0.1 0.1 peak 516 volume 15.67484 ppm1 4.263 ppm2 2.712
 
! ############### c13noe.517 folded -
assi (attr store1 < 8.418 and attr store1 > 8.318 )
     ((attr store1 < 4.289 and attr store1 > 4.229 ) and 
      (bondedto (attr store1 < 106.598054566  and attr store1 > 105.798054566 ) or 
       bondedto (attr store1 < 154.322163697  and attr store1 > 153.522163697) or 
       bondedto (attr store1 < 58.8739454343  and attr store1 > 58.0739454343 ))) 
6 0.1 0.1 peak 517 volume 20.96164 ppm1 4.259 ppm2 8.368
 
! ############### c13noe.518 folded -
assi (attr store1 < 2.302 and attr store1 > 2.202 )
     ((attr store1 < 4.289 and attr store1 > 4.229 ) and 
      (bondedto (attr store1 < 106.566054566  and attr store1 > 105.766054566 ) or 
       bondedto (attr store1 < 154.290163697  and attr store1 > 153.490163697) or 
       bondedto (attr store1 < 58.8419454343  and attr store1 > 58.0419454343 ))) 
6 0.1 0.1 peak 518 volume 24.23769 ppm1 4.259 ppm2 2.252
 
! ############### c13noe.519 folded -
assi (attr store1 < 2.223 and attr store1 > 2.123 )
     ((attr store1 < 4.289 and attr store1 > 4.229 ) and 
      (bondedto (attr store1 < 106.583054566  and attr store1 > 105.783054566 ) or 
       bondedto (attr store1 < 154.307163697  and attr store1 > 153.507163697) or 
       bondedto (attr store1 < 58.8589454343  and attr store1 > 58.0589454343 ))) 
6 0.1 0.1 peak 519 volume 28.65182 ppm1 4.259 ppm2 2.173
 
! ############### c13noe.520 folded -
assi (attr store1 < 2.089 and attr store1 > 1.989 )
     ((attr store1 < 4.292 and attr store1 > 4.232 ) and 
      (bondedto (attr store1 < 106.596054566  and attr store1 > 105.796054566 ) or 
       bondedto (attr store1 < 154.320163697  and attr store1 > 153.520163697) or 
       bondedto (attr store1 < 58.8719454343  and attr store1 > 58.0719454343 ))) 
6 0.1 0.1 peak 520 volume 27.68092 ppm1 4.262 ppm2 2.039
 
! ############### c13noe.521 folded -
assi (attr store1 < 2.847 and attr store1 > 2.747 )
     ((attr store1 < 4.286 and attr store1 > 4.226 ) and 
      (bondedto (attr store1 < 106.581054566  and attr store1 > 105.781054566 ) or 
       bondedto (attr store1 < 154.305163697  and attr store1 > 153.505163697) or 
       bondedto (attr store1 < 58.8569454343  and attr store1 > 58.0569454343 ))) 
6 0.1 0.1 peak 521 volume 11.84896 ppm1 4.256 ppm2 2.797
 
! ############### c13noe.522 folded -
assi (attr store1 < 1.824 and attr store1 > 1.724 )
     ((attr store1 < 4.285 and attr store1 > 4.225 ) and 
      (bondedto (attr store1 < 106.564054566  and attr store1 > 105.764054566 ) or 
       bondedto (attr store1 < 154.288163697  and attr store1 > 153.488163697) or 
       bondedto (attr store1 < 58.8399454343  and attr store1 > 58.0399454343 ))) 
6 0.1 0.1 peak 522 volume 9.60109 ppm1 4.255 ppm2 1.774
 
! ############### c13noe.523 folded -
assi (attr store1 < 1.728 and attr store1 > 1.628 )
     ((attr store1 < 4.276 and attr store1 > 4.216 ) and 
      (bondedto (attr store1 < 106.543054566  and attr store1 > 105.743054566 ) or 
       bondedto (attr store1 < 154.267163697  and attr store1 > 153.467163697) or 
       bondedto (attr store1 < 58.8189454343  and attr store1 > 58.0189454343 ))) 
6 0.1 0.1 peak 523 volume 11.79444 ppm1 4.246 ppm2 1.678
 
! ############### c13noe.524 folded -
assi (attr store1 < 7.824 and attr store1 > 7.724 )
     ((attr store1 < 4.174 and attr store1 > 4.114 ) and 
      (bondedto (attr store1 < 106.563054566  and attr store1 > 105.763054566 ) or 
       bondedto (attr store1 < 154.287163697  and attr store1 > 153.487163697) or 
       bondedto (attr store1 < 58.8389454343  and attr store1 > 58.0389454343 ))) 
6 0.1 0.1 peak 524 volume 39.80556 ppm1 4.144 ppm2 7.774
 
! ############### c13noe.525 folded -
assi (attr store1 < 2.534 and attr store1 > 2.434 )
     ((attr store1 < 4.176 and attr store1 > 4.116 ) and 
      (bondedto (attr store1 < 106.554054566  and attr store1 > 105.754054566 ) or 
       bondedto (attr store1 < 154.278163697  and attr store1 > 153.478163697) or 
       bondedto (attr store1 < 58.8299454343  and attr store1 > 58.0299454343 ))) 
6 0.1 0.1 peak 525 volume 20.76895 ppm1 4.146 ppm2 2.484
 
! ############### c13noe.526 folded -
assi (attr store1 < 2.442 and attr store1 > 2.342 )
     ((attr store1 < 4.175 and attr store1 > 4.115 ) and 
      (bondedto (attr store1 < 106.568054566  and attr store1 > 105.768054566 ) or 
       bondedto (attr store1 < 154.292163697  and attr store1 > 153.492163697) or 
       bondedto (attr store1 < 58.8439454343  and attr store1 > 58.0439454343 ))) 
6 0.1 0.1 peak 526 volume 28.90825 ppm1 4.145 ppm2 2.392
 
! ############### c13noe.527 folded -
assi (attr store1 < 2.256 and attr store1 > 2.156 )
     ((attr store1 < 4.176 and attr store1 > 4.116 ) and 
      (bondedto (attr store1 < 106.563054566  and attr store1 > 105.763054566 ) or 
       bondedto (attr store1 < 154.287163697  and attr store1 > 153.487163697) or 
       bondedto (attr store1 < 58.8389454343  and attr store1 > 58.0389454343 ))) 
6 0.1 0.1 peak 527 volume 63.84069 ppm1 4.146 ppm2 2.206
 
! ############### c13noe.528 folded -
assi (attr store1 < 1.602 and attr store1 > 1.502 )
     ((attr store1 < 4.04 and attr store1 > 3.98 ) and 
      (bondedto (attr store1 < 106.589054566  and attr store1 > 105.789054566 ) or 
       bondedto (attr store1 < 154.313163697  and attr store1 > 153.513163697) or 
       bondedto (attr store1 < 58.8649454343  and attr store1 > 58.0649454343 ))) 
6 0.1 0.1 peak 528 volume 26.05485 ppm1 4.010 ppm2 1.552
 
! ############### c13noe.529 folded -
assi (attr store1 < 0.894 and attr store1 > 0.794 )
     ((attr store1 < 4.04 and attr store1 > 3.98 ) and 
      (bondedto (attr store1 < 106.591054566  and attr store1 > 105.791054566 ) or 
       bondedto (attr store1 < 154.315163697  and attr store1 > 153.515163697) or 
       bondedto (attr store1 < 58.8669454343  and attr store1 > 58.0669454343 ))) 
6 0.1 0.1 peak 529 volume 15.9228 ppm1 4.010 ppm2 0.844
 
! ############### c13noe.530 folded -
assi (attr store1 < 1.661 and attr store1 > 1.561 )
     ((attr store1 < 4.037 and attr store1 > 3.977 ) and 
      (bondedto (attr store1 < 106.599054566  and attr store1 > 105.799054566 ) or 
       bondedto (attr store1 < 154.323163697  and attr store1 > 153.523163697) or 
       bondedto (attr store1 < 58.8749454343  and attr store1 > 58.0749454343 ))) 
6 0.1 0.1 peak 530 volume 26.33316 ppm1 4.007 ppm2 1.611
 
! ############### c13noe.531 folded -
assi (attr store1 < 0.993 and attr store1 > 0.893 )
     ((attr store1 < 4.037 and attr store1 > 3.977 ) and 
      (bondedto (attr store1 < 106.596054566  and attr store1 > 105.796054566 ) or 
       bondedto (attr store1 < 154.320163697  and attr store1 > 153.520163697) or 
       bondedto (attr store1 < 58.8719454343  and attr store1 > 58.0719454343 ))) 
6 0.1 0.1 peak 531 volume 35.87623 ppm1 4.007 ppm2 0.943
 
! ############### c13noe.532 folded -
assi (attr store1 < 8.235 and attr store1 > 8.135 )
     ((attr store1 < 4.033 and attr store1 > 3.973 ) and 
      (bondedto (attr store1 < 106.596054566  and attr store1 > 105.796054566 ) or 
       bondedto (attr store1 < 154.320163697  and attr store1 > 153.520163697) or 
       bondedto (attr store1 < 58.8719454343  and attr store1 > 58.0719454343 ))) 
6 0.1 0.1 peak 532 volume 8.67721 ppm1 4.003 ppm2 8.185
 
! ############### c13noe.533 folded -
assi (attr store1 < 2.364 and attr store1 > 2.264 )
     ((attr store1 < 2.013 and attr store1 > 1.953 ) and 
      (bondedto (attr store1 < 106.560054566  and attr store1 > 105.760054566 ) or 
       bondedto (attr store1 < 154.284163697  and attr store1 > 153.484163697) or 
       bondedto (attr store1 < 58.8359454343  and attr store1 > 58.0359454343 ))) 
6 0.1 0.1 peak 533 volume 24.65143 ppm1 1.983 ppm2 2.314
 
! ############### c13noe.534 folded -
assi (attr store1 < 0.977 and attr store1 > 0.877 )
     ((attr store1 < 1.926 and attr store1 > 1.866 ) and 
      (bondedto (attr store1 < 106.609054566  and attr store1 > 105.809054566 ) or 
       bondedto (attr store1 < 154.333163697  and attr store1 > 153.533163697) or 
       bondedto (attr store1 < 58.8849454343  and attr store1 > 58.0849454343 ))) 
6 0.1 0.1 peak 534 volume 8.32314 ppm1 1.896 ppm2 0.927
 
! ############### c13noe.535 folded +
assi (attr store1 < 3.212 and attr store1 > 3.112 )
     ((attr store1 < 3.287 and attr store1 > 3.227 ) and 
      (bondedto (attr store1 < 130.327109131  and attr store1 > 129.527109131 ) or 
       bondedto (attr store1 < 82.603  and attr store1 > 81.803 ) or 
       bondedto (attr store1 < 34.8788908686  and attr store1 > 34.0788908686 ))) 
6 0.1 0.1 peak 535 volume 17.71330 ppm1 3.257 ppm2 3.162
 
! ############### c13noe.536 folded +
assi (attr store1 < 2.623 and attr store1 > 2.523 )
     ((attr store1 < 2.246 and attr store1 > 2.186 ) and 
      (bondedto (attr store1 < 130.315109131  and attr store1 > 129.515109131 ) or 
       bondedto (attr store1 < 82.591  and attr store1 > 81.791 ) or 
       bondedto (attr store1 < 34.8668908686  and attr store1 > 34.0668908686 ))) 
6 0.1 0.1 peak 536 volume 11.70297 ppm1 2.216 ppm2 2.573
 
! ############### c13noe.537 folded +
assi (attr store1 < 2.4 and attr store1 > 2.3 )
     ((attr store1 < 2.208 and attr store1 > 2.148 ) and 
      (bondedto (attr store1 < 130.359109131  and attr store1 > 129.559109131 ) or 
       bondedto (attr store1 < 82.635  and attr store1 > 81.835 ) or 
       bondedto (attr store1 < 34.9108908686  and attr store1 > 34.1108908686 ))) 
6 0.1 0.1 peak 537 volume 41.72508 ppm1 2.178 ppm2 2.350
 
! ############### c13noe.538 folded +
assi (attr store1 < 4.406 and attr store1 > 4.306 )
     ((attr store1 < 1.963 and attr store1 > 1.903 ) and 
      (bondedto (attr store1 < 130.323109131  and attr store1 > 129.523109131 ) or 
       bondedto (attr store1 < 82.599  and attr store1 > 81.799 ) or 
       bondedto (attr store1 < 34.8748908686  and attr store1 > 34.0748908686 ))) 
6 0.1 0.1 peak 538 volume 8.25482 ppm1 1.933 ppm2 4.356
 
! ############### c13noe.539 folded +
assi (attr store1 < 2.426 and attr store1 > 2.326 )
     ((attr store1 < 1.92 and attr store1 > 1.86 ) and 
      (bondedto (attr store1 < 130.378109131  and attr store1 > 129.578109131 ) or 
       bondedto (attr store1 < 82.654  and attr store1 > 81.854 ) or 
       bondedto (attr store1 < 34.9298908686  and attr store1 > 34.1298908686 ))) 
6 0.1 0.1 peak 539 volume 11.79682 ppm1 1.890 ppm2 2.376
 
! ############### c13noe.540 folded +
assi (attr store1 < 1.504 and attr store1 > 1.404 )
     ((attr store1 < 1.251 and attr store1 > 1.191 ) and 
      (bondedto (attr store1 < 130.341109131  and attr store1 > 129.541109131 ) or 
       bondedto (attr store1 < 82.617  and attr store1 > 81.817 ) or 
       bondedto (attr store1 < 34.8928908686  and attr store1 > 34.0928908686 ))) 
6 0.1 0.1 peak 540 volume 8.54308 ppm1 1.221 ppm2 1.454
 
! ############### c13noe.541 folded -
assi (attr store1 < 2.614 and attr store1 > 2.514 )
     ((attr store1 < 4.301 and attr store1 > 4.241 ) and 
      (bondedto (attr store1 < 106.481054566  and attr store1 > 105.681054566 ) or 
       bondedto (attr store1 < 154.205163697  and attr store1 > 153.405163697) or 
       bondedto (attr store1 < 58.7569454343  and attr store1 > 57.9569454343 ))) 
6 0.1 0.1 peak 541 volume 9.39732 ppm1 4.271 ppm2 2.564
 
! ############### c13noe.542 folded -
assi (attr store1 < 2.368 and attr store1 > 2.268 )
     ((attr store1 < 4.299 and attr store1 > 4.239 ) and 
      (bondedto (attr store1 < 106.504054566  and attr store1 > 105.704054566 ) or 
       bondedto (attr store1 < 154.228163697  and attr store1 > 153.428163697) or 
       bondedto (attr store1 < 58.7799454343  and attr store1 > 57.9799454343 ))) 
6 0.1 0.1 peak 542 volume 8.65218 ppm1 4.269 ppm2 2.318
 
! ############### c13noe.543 folded -
assi (attr store1 < 7.851 and attr store1 > 7.751 )
     ((attr store1 < 4.289 and attr store1 > 4.229 ) and 
      (bondedto (attr store1 < 106.532054566  and attr store1 > 105.732054566 ) or 
       bondedto (attr store1 < 154.256163697  and attr store1 > 153.456163697) or 
       bondedto (attr store1 < 58.8079454343  and attr store1 > 58.0079454343 ))) 
6 0.1 0.1 peak 543 volume 12.01442 ppm1 4.259 ppm2 7.801
 
! ############### c13noe.544 folded -
assi (attr store1 < 2.464 and attr store1 > 2.364 )
     ((attr store1 < 4.284 and attr store1 > 4.224 ) and 
      (bondedto (attr store1 < 106.496054566  and attr store1 > 105.696054566 ) or 
       bondedto (attr store1 < 154.220163697  and attr store1 > 153.420163697) or 
       bondedto (attr store1 < 58.7719454343  and attr store1 > 57.9719454343 ))) 
6 0.1 0.1 peak 544 volume 8.11022 ppm1 4.254 ppm2 2.414
 
! ############### c13noe.545 folded -
assi (attr store1 < 1.036 and attr store1 > 0.936 )
     ((attr store1 < 3.936 and attr store1 > 3.876 ) and 
      (bondedto (attr store1 < 106.445054566  and attr store1 > 105.645054566 ) or 
       bondedto (attr store1 < 154.169163697  and attr store1 > 153.369163697) or 
       bondedto (attr store1 < 58.7209454343  and attr store1 > 57.9209454343 ))) 
6 0.1 0.1 peak 545 volume 33.17803 ppm1 3.906 ppm2 0.986
 
! ############### c13noe.546 folded -
assi (attr store1 < 0.89 and attr store1 > 0.79 )
     ((attr store1 < 3.936 and attr store1 > 3.876 ) and 
      (bondedto (attr store1 < 106.456054566  and attr store1 > 105.656054566 ) or 
       bondedto (attr store1 < 154.180163697  and attr store1 > 153.380163697) or 
       bondedto (attr store1 < 58.7319454343  and attr store1 > 57.9319454343 ))) 
6 0.1 0.1 peak 546 volume 20.03338 ppm1 3.906 ppm2 0.840
 
! ############### c13noe.547 folded -
assi (attr store1 < 7.797 and attr store1 > 7.697 )
     ((attr store1 < 3.932 and attr store1 > 3.872 ) and 
      (bondedto (attr store1 < 106.457054566  and attr store1 > 105.657054566 ) or 
       bondedto (attr store1 < 154.181163697  and attr store1 > 153.381163697) or 
       bondedto (attr store1 < 58.7329454343  and attr store1 > 57.9329454343 ))) 
6 0.1 0.1 peak 547 volume 13.41606 ppm1 3.902 ppm2 7.747
 
! ############### c13noe.548 folded -
assi (attr store1 < 2.415 and attr store1 > 2.315 )
     ((attr store1 < 3.933 and attr store1 > 3.873 ) and 
      (bondedto (attr store1 < 106.468054566  and attr store1 > 105.668054566 ) or 
       bondedto (attr store1 < 154.192163697  and attr store1 > 153.392163697) or 
       bondedto (attr store1 < 58.7439454343  and attr store1 > 57.9439454343 ))) 
6 0.1 0.1 peak 548 volume 9.87015 ppm1 3.903 ppm2 2.365
 
! ############### c13noe.549 folded -
assi (attr store1 < 2.222 and attr store1 > 2.122 )
     ((attr store1 < 3.93 and attr store1 > 3.87 ) and 
      (bondedto (attr store1 < 106.462054566  and attr store1 > 105.662054566 ) or 
       bondedto (attr store1 < 154.186163697  and attr store1 > 153.386163697) or 
       bondedto (attr store1 < 58.7379454343  and attr store1 > 57.9379454343 ))) 
6 0.1 0.1 peak 549 volume 11.40971 ppm1 3.900 ppm2 2.172
 
! ############### c13noe.550 folded -
assi (attr store1 < 3.725 and attr store1 > 3.625 )
     ((attr store1 < 3.865 and attr store1 > 3.805 ) and 
      (bondedto (attr store1 < 106.496054566  and attr store1 > 105.696054566 ) or 
       bondedto (attr store1 < 154.220163697  and attr store1 > 153.420163697) or 
       bondedto (attr store1 < 58.7719454343  and attr store1 > 57.9719454343 ))) 
6 0.1 0.1 peak 550 volume 21.9666 ppm1 3.835 ppm2 3.675
 
! ############### c13noe.551 folded -
assi (attr store1 < 3.885 and attr store1 > 3.785 )
     ((attr store1 < 3.7 and attr store1 > 3.64 ) and 
      (bondedto (attr store1 < 106.500054566  and attr store1 > 105.700054566 ) or 
       bondedto (attr store1 < 154.224163697  and attr store1 > 153.424163697) or 
       bondedto (attr store1 < 58.7759454343  and attr store1 > 57.9759454343 ))) 
6 0.1 0.1 peak 551 volume 23.84818 ppm1 3.670 ppm2 3.835
 
! ############### c13noe.552 folded -
assi (attr store1 < 2.018 and attr store1 > 1.918 )
     ((attr store1 < 2.345 and attr store1 > 2.285 ) and 
      (bondedto (attr store1 < 106.491054566  and attr store1 > 105.691054566 ) or 
       bondedto (attr store1 < 154.215163697  and attr store1 > 153.415163697) or 
       bondedto (attr store1 < 58.7669454343  and attr store1 > 57.9669454343 ))) 
6 0.1 0.1 peak 552 volume 43.80366 ppm1 2.315 ppm2 1.968
 
! ############### c13noe.553 folded +
assi (attr store1 < 3.296 and attr store1 > 3.196 )
     ((attr store1 < 3.193 and attr store1 > 3.133 ) and 
      (bondedto (attr store1 < 130.275109131  and attr store1 > 129.475109131 ) or 
       bondedto (attr store1 < 82.551  and attr store1 > 81.751 ) or 
       bondedto (attr store1 < 34.8268908686  and attr store1 > 34.0268908686 ))) 
6 0.1 0.1 peak 553 volume 17.07345 ppm1 3.163 ppm2 3.246
 
! ############### c13noe.554 folded +
assi (attr store1 < 7.489 and attr store1 > 7.389 )
     ((attr store1 < 2.653 and attr store1 > 2.593 ) and 
      (bondedto (attr store1 < 130.217109131  and attr store1 > 129.417109131 ) or 
       bondedto (attr store1 < 82.493  and attr store1 > 81.693 ) or 
       bondedto (attr store1 < 34.7688908686  and attr store1 > 33.9688908686 ))) 
6 0.1 0.1 peak 554 volume 17.59048 ppm1 2.623 ppm2 7.439
 
! ############### c13noe.555 folded +
assi (attr store1 < 4.212 and attr store1 > 4.112 )
     ((attr store1 < 2.651 and attr store1 > 2.591 ) and 
      (bondedto (attr store1 < 130.233109131  and attr store1 > 129.433109131 ) or 
       bondedto (attr store1 < 82.509  and attr store1 > 81.709 ) or 
       bondedto (attr store1 < 34.7848908686  and attr store1 > 33.9848908686 ))) 
6 0.1 0.1 peak 555 volume 23.49668 ppm1 2.621 ppm2 4.162
 
! ############### c13noe.556 folded +
assi (attr store1 < 3.664 and attr store1 > 3.564 )
     ((attr store1 < 2.647 and attr store1 > 2.587 ) and 
      (bondedto (attr store1 < 130.228109131  and attr store1 > 129.428109131 ) or 
       bondedto (attr store1 < 82.504  and attr store1 > 81.704 ) or 
       bondedto (attr store1 < 34.7798908686  and attr store1 > 33.9798908686 ))) 
6 0.1 0.1 peak 556 volume 8.39242 ppm1 2.617 ppm2 3.614
 
! ############### c13noe.557 folded +
assi (attr store1 < 2.304 and attr store1 > 2.204 )
     ((attr store1 < 2.646 and attr store1 > 2.586 ) and 
      (bondedto (attr store1 < 130.232109131  and attr store1 > 129.432109131 ) or 
       bondedto (attr store1 < 82.508  and attr store1 > 81.708 ) or 
       bondedto (attr store1 < 34.7838908686  and attr store1 > 33.9838908686 ))) 
6 0.1 0.1 peak 557 volume 85.00705 ppm1 2.616 ppm2 2.254
 
! ############### c13noe.558 folded +
assi (attr store1 < 1.002 and attr store1 > 0.902 )
     ((attr store1 < 2.644 and attr store1 > 2.584 ) and 
      (bondedto (attr store1 < 130.234109131  and attr store1 > 129.434109131 ) or 
       bondedto (attr store1 < 82.51  and attr store1 > 81.71 ) or 
       bondedto (attr store1 < 34.7858908686  and attr store1 > 33.9858908686 ))) 
6 0.1 0.1 peak 558 volume 22.58993 ppm1 2.614 ppm2 0.952
 
! ############### c13noe.559 folded +
assi (attr store1 < 3.838 and attr store1 > 3.738 )
     ((attr store1 < 2.639 and attr store1 > 2.579 ) and 
      (bondedto (attr store1 < 130.262109131  and attr store1 > 129.462109131 ) or 
       bondedto (attr store1 < 82.538  and attr store1 > 81.738 ) or 
       bondedto (attr store1 < 34.8138908686  and attr store1 > 34.0138908686 ))) 
6 0.1 0.1 peak 559 volume 12.90026 ppm1 2.609 ppm2 3.788
 
! ############### c13noe.560 folded +
assi (attr store1 < 6.91 and attr store1 > 6.81 )
     ((attr store1 < 2.638 and attr store1 > 2.578 ) and 
      (bondedto (attr store1 < 130.289109131  and attr store1 > 129.489109131 ) or 
       bondedto (attr store1 < 82.565  and attr store1 > 81.765 ) or 
       bondedto (attr store1 < 34.8408908686  and attr store1 > 34.0408908686 ))) 
6 0.1 0.1 peak 560 volume 14.14574 ppm1 2.608 ppm2 6.860
 
! ############### c13noe.561 folded +
assi (attr store1 < 3.05 and attr store1 > 2.95 )
     ((attr store1 < 2.634 and attr store1 > 2.574 ) and 
      (bondedto (attr store1 < 130.272109131  and attr store1 > 129.472109131 ) or 
       bondedto (attr store1 < 82.548  and attr store1 > 81.748 ) or 
       bondedto (attr store1 < 34.8238908686  and attr store1 > 34.0238908686 ))) 
6 0.1 0.1 peak 561 volume 10.57314 ppm1 2.604 ppm2 3.000
 
! ############### c13noe.562 folded +
assi (attr store1 < 8.286 and attr store1 > 8.186 )
     ((attr store1 < 2.628 and attr store1 > 2.568 ) and 
      (bondedto (attr store1 < 130.250109131  and attr store1 > 129.450109131 ) or 
       bondedto (attr store1 < 82.526  and attr store1 > 81.726 ) or 
       bondedto (attr store1 < 34.8018908686  and attr store1 > 34.0018908686 ))) 
6 0.1 0.1 peak 562 volume 12.32393 ppm1 2.598 ppm2 8.236
 
! ############### c13noe.563 folded +
assi (attr store1 < 8.21 and attr store1 > 8.11 )
     ((attr store1 < 2.629 and attr store1 > 2.569 ) and 
      (bondedto (attr store1 < 130.271109131  and attr store1 > 129.471109131 ) or 
       bondedto (attr store1 < 82.547  and attr store1 > 81.747 ) or 
       bondedto (attr store1 < 34.8228908686  and attr store1 > 34.0228908686 ))) 
6 0.1 0.1 peak 563 volume 35.21835 ppm1 2.599 ppm2 8.160
 
! ############### c13noe.564 folded +
assi (attr store1 < 7.572 and attr store1 > 7.472 )
     ((attr store1 < 2.627 and attr store1 > 2.567 ) and 
      (bondedto (attr store1 < 130.300109131  and attr store1 > 129.500109131 ) or 
       bondedto (attr store1 < 82.576  and attr store1 > 81.776 ) or 
       bondedto (attr store1 < 34.8518908686  and attr store1 > 34.0518908686 ))) 
6 0.1 0.1 peak 564 volume 20.00937 ppm1 2.597 ppm2 7.522
 
! ############### c13noe.565 folded +
assi (attr store1 < 4.146 and attr store1 > 4.046 )
     ((attr store1 < 2.625 and attr store1 > 2.565 ) and 
      (bondedto (attr store1 < 130.297109131  and attr store1 > 129.497109131 ) or 
       bondedto (attr store1 < 82.573  and attr store1 > 81.773 ) or 
       bondedto (attr store1 < 34.8488908686  and attr store1 > 34.0488908686 ))) 
6 0.1 0.1 peak 565 volume 31.08447 ppm1 2.595 ppm2 4.096
 
! ############### c13noe.566 folded +
assi (attr store1 < 8.204 and attr store1 > 8.104 )
     ((attr store1 < 2.569 and attr store1 > 2.509 ) and 
      (bondedto (attr store1 < 130.268109131  and attr store1 > 129.468109131 ) or 
       bondedto (attr store1 < 82.544  and attr store1 > 81.744 ) or 
       bondedto (attr store1 < 34.8198908686  and attr store1 > 34.0198908686 ))) 
6 0.1 0.1 peak 566 volume 30.87577 ppm1 2.539 ppm2 8.154
 
! ############### c13noe.567 folded +
assi (attr store1 < 6.905 and attr store1 > 6.805 )
     ((attr store1 < 2.569 and attr store1 > 2.509 ) and 
      (bondedto (attr store1 < 130.287109131  and attr store1 > 129.487109131 ) or 
       bondedto (attr store1 < 82.563  and attr store1 > 81.763 ) or 
       bondedto (attr store1 < 34.8388908686  and attr store1 > 34.0388908686 ))) 
6 0.1 0.1 peak 567 volume 11.50373 ppm1 2.539 ppm2 6.855
 
! ############### c13noe.568 folded +
assi (attr store1 < 4.256 and attr store1 > 4.156 )
     ((attr store1 < 2.569 and attr store1 > 2.509 ) and 
      (bondedto (attr store1 < 130.223109131  and attr store1 > 129.423109131 ) or 
       bondedto (attr store1 < 82.499  and attr store1 > 81.699 ) or 
       bondedto (attr store1 < 34.7748908686  and attr store1 > 33.9748908686 ))) 
6 0.1 0.1 peak 568 volume 8.95332 ppm1 2.539 ppm2 4.206
 
! ############### c13noe.569 folded +
assi (attr store1 < 4.137 and attr store1 > 4.037 )
     ((attr store1 < 2.569 and attr store1 > 2.509 ) and 
      (bondedto (attr store1 < 130.238109131  and attr store1 > 129.438109131 ) or 
       bondedto (attr store1 < 82.514  and attr store1 > 81.714 ) or 
       bondedto (attr store1 < 34.7898908686  and attr store1 > 33.9898908686 ))) 
6 0.1 0.1 peak 569 volume 35.35602 ppm1 2.539 ppm2 4.087
 
! ############### c13noe.570 folded +
assi (attr store1 < 3.836 and attr store1 > 3.736 )
     ((attr store1 < 2.569 and attr store1 > 2.509 ) and 
      (bondedto (attr store1 < 130.254109131  and attr store1 > 129.454109131 ) or 
       bondedto (attr store1 < 82.53  and attr store1 > 81.73 ) or 
       bondedto (attr store1 < 34.8058908686  and attr store1 > 34.0058908686 ))) 
6 0.1 0.1 peak 570 volume 15.13595 ppm1 2.539 ppm2 3.786
 
! ############### c13noe.571 folded +
assi (attr store1 < 7.573 and attr store1 > 7.473 )
     ((attr store1 < 2.566 and attr store1 > 2.506 ) and 
      (bondedto (attr store1 < 130.301109131  and attr store1 > 129.501109131 ) or 
       bondedto (attr store1 < 82.577  and attr store1 > 81.777 ) or 
       bondedto (attr store1 < 34.8528908686  and attr store1 > 34.0528908686 ))) 
6 0.1 0.1 peak 571 volume 17.82398 ppm1 2.536 ppm2 7.523
 
! ############### c13noe.572 folded +
assi (attr store1 < 0.994 and attr store1 > 0.894 )
     ((attr store1 < 2.562 and attr store1 > 2.502 ) and 
      (bondedto (attr store1 < 130.289109131  and attr store1 > 129.489109131 ) or 
       bondedto (attr store1 < 82.565  and attr store1 > 81.765 ) or 
       bondedto (attr store1 < 34.8408908686  and attr store1 > 34.0408908686 ))) 
6 0.1 0.1 peak 572 volume 14.22639 ppm1 2.532 ppm2 0.944
 
! ############### c13noe.573 folded +
assi (attr store1 < 0.925 and attr store1 > 0.825 )
     ((attr store1 < 2.447 and attr store1 > 2.387 ) and 
      (bondedto (attr store1 < 130.224109131  and attr store1 > 129.424109131 ) or 
       bondedto (attr store1 < 82.5  and attr store1 > 81.7 ) or 
       bondedto (attr store1 < 34.7758908686  and attr store1 > 33.9758908686 ))) 
6 0.1 0.1 peak 573 volume 16.68385 ppm1 2.417 ppm2 0.875
 
! ############### c13noe.574 folded +
assi (attr store1 < 8.23 and attr store1 > 8.13 )
     ((attr store1 < 2.441 and attr store1 > 2.381 ) and 
      (bondedto (attr store1 < 130.224109131  and attr store1 > 129.424109131 ) or 
       bondedto (attr store1 < 82.5  and attr store1 > 81.7 ) or 
       bondedto (attr store1 < 34.7758908686  and attr store1 > 33.9758908686 ))) 
6 0.1 0.1 peak 574 volume 13.78314 ppm1 2.411 ppm2 8.180
 
! ############### c13noe.575 folded +
assi (attr store1 < 6.909 and attr store1 > 6.809 )
     ((attr store1 < 2.443 and attr store1 > 2.383 ) and 
      (bondedto (attr store1 < 130.252109131  and attr store1 > 129.452109131 ) or 
       bondedto (attr store1 < 82.528  and attr store1 > 81.728 ) or 
       bondedto (attr store1 < 34.8038908686  and attr store1 > 34.0038908686 ))) 
6 0.1 0.1 peak 575 volume 6.30533 ppm1 2.413 ppm2 6.859
 
! ############### c13noe.576 folded +
assi (attr store1 < 3.666 and attr store1 > 3.566 )
     ((attr store1 < 2.439 and attr store1 > 2.379 ) and 
      (bondedto (attr store1 < 130.227109131  and attr store1 > 129.427109131 ) or 
       bondedto (attr store1 < 82.503  and attr store1 > 81.703 ) or 
       bondedto (attr store1 < 34.7788908686  and attr store1 > 33.9788908686 ))) 
6 0.1 0.1 peak 576 volume 10.02110 ppm1 2.409 ppm2 3.616
 
! ############### c13noe.577 folded +
assi (attr store1 < 2.305 and attr store1 > 2.205 )
     ((attr store1 < 2.44 and attr store1 > 2.38 ) and 
      (bondedto (attr store1 < 130.214109131  and attr store1 > 129.414109131 ) or 
       bondedto (attr store1 < 82.49  and attr store1 > 81.69 ) or 
       bondedto (attr store1 < 34.7658908686  and attr store1 > 33.9658908686 ))) 
6 0.1 0.1 peak 577 volume 90.75996 ppm1 2.410 ppm2 2.255
 
! ############### c13noe.578 folded +
assi (attr store1 < 8.234 and attr store1 > 8.134 )
     ((attr store1 < 2.435 and attr store1 > 2.375 ) and 
      (bondedto (attr store1 < 130.234109131  and attr store1 > 129.434109131 ) or 
       bondedto (attr store1 < 82.51  and attr store1 > 81.71 ) or 
       bondedto (attr store1 < 34.7858908686  and attr store1 > 33.9858908686 ))) 
6 0.1 0.1 peak 578 volume 13.78182 ppm1 2.405 ppm2 8.184
 
! ############### c13noe.579 folded +
assi (attr store1 < 1.546 and attr store1 > 1.446 )
     ((attr store1 < 1.998 and attr store1 > 1.938 ) and 
      (bondedto (attr store1 < 130.218109131  and attr store1 > 129.418109131 ) or 
       bondedto (attr store1 < 82.494  and attr store1 > 81.694 ) or 
       bondedto (attr store1 < 34.7698908686  and attr store1 > 33.9698908686 ))) 
6 0.1 0.1 peak 579 volume 8.54443 ppm1 1.968 ppm2 1.496
 
! ############### c13noe.580 folded +
assi (attr store1 < 1.758 and attr store1 > 1.658 )
     ((attr store1 < 1.994 and attr store1 > 1.934 ) and 
      (bondedto (attr store1 < 130.240109131  and attr store1 > 129.440109131 ) or 
       bondedto (attr store1 < 82.516  and attr store1 > 81.716 ) or 
       bondedto (attr store1 < 34.7918908686  and attr store1 > 33.9918908686 ))) 
6 0.1 0.1 peak 580 volume 19.53337 ppm1 1.964 ppm2 1.708
 
! ############### c13noe.581 folded +
assi (attr store1 < 7.858 and attr store1 > 7.758 )
     ((attr store1 < 1.987 and attr store1 > 1.927 ) and 
      (bondedto (attr store1 < 130.244109131  and attr store1 > 129.444109131 ) or 
       bondedto (attr store1 < 82.52  and attr store1 > 81.72 ) or 
       bondedto (attr store1 < 34.7958908686  and attr store1 > 33.9958908686 ))) 
6 0.1 0.1 peak 581 volume 7.28343 ppm1 1.957 ppm2 7.808
 
! ############### c13noe.582 folded +
assi (attr store1 < 1.755 and attr store1 > 1.655 )
     ((attr store1 < 1.949 and attr store1 > 1.889 ) and 
      (bondedto (attr store1 < 130.224109131  and attr store1 > 129.424109131 ) or 
       bondedto (attr store1 < 82.5  and attr store1 > 81.7 ) or 
       bondedto (attr store1 < 34.7758908686  and attr store1 > 33.9758908686 ))) 
6 0.1 0.1 peak 582 volume 19.79153 ppm1 1.919 ppm2 1.705
 
! ############### c13noe.583 folded +
assi (attr store1 < 7.846 and attr store1 > 7.746 )
     ((attr store1 < 1.943 and attr store1 > 1.883 ) and 
      (bondedto (attr store1 < 130.251109131  and attr store1 > 129.451109131 ) or 
       bondedto (attr store1 < 82.527  and attr store1 > 81.727 ) or 
       bondedto (attr store1 < 34.8028908686  and attr store1 > 34.0028908686 ))) 
6 0.1 0.1 peak 583 volume 6.87244 ppm1 1.913 ppm2 7.796
 
! ############### c13noe.584 folded +
assi (attr store1 < 4.393 and attr store1 > 4.293 )
     ((attr store1 < 1.944 and attr store1 > 1.884 ) and 
      (bondedto (attr store1 < 130.251109131  and attr store1 > 129.451109131 ) or 
       bondedto (attr store1 < 82.527  and attr store1 > 81.727 ) or 
       bondedto (attr store1 < 34.8028908686  and attr store1 > 34.0028908686 ))) 
6 0.1 0.1 peak 584 volume 9.26563 ppm1 1.914 ppm2 4.343
 
! ############### c13noe.585 folded +
assi (attr store1 < 4.239 and attr store1 > 4.139 )
     ((attr store1 < 1.268 and attr store1 > 1.208 ) and 
      (bondedto (attr store1 < 130.233109131  and attr store1 > 129.433109131 ) or 
       bondedto (attr store1 < 82.509  and attr store1 > 81.709 ) or 
       bondedto (attr store1 < 34.7848908686  and attr store1 > 33.9848908686 ))) 
6 0.1 0.1 peak 585 volume 9.15827 ppm1 1.238 ppm2 4.189
 
! ############### c13noe.586 folded -
assi (attr store1 < 1.59 and attr store1 > 1.49 )
     ((attr store1 < 4.371 and attr store1 > 4.311 ) and 
      (bondedto (attr store1 < 106.402054566  and attr store1 > 105.602054566 ) or 
       bondedto (attr store1 < 154.126163697  and attr store1 > 153.326163697) or 
       bondedto (attr store1 < 58.6779454343  and attr store1 > 57.8779454343 ))) 
6 0.1 0.1 peak 586 volume 9.54024 ppm1 4.341 ppm2 1.540
 
! ############### c13noe.587 folded -
assi (attr store1 < 2.107 and attr store1 > 2.007 )
     ((attr store1 < 4.364 and attr store1 > 4.304 ) and 
      (bondedto (attr store1 < 106.381054566  and attr store1 > 105.581054566 ) or 
       bondedto (attr store1 < 154.105163697  and attr store1 > 153.305163697) or 
       bondedto (attr store1 < 58.6569454343  and attr store1 > 57.8569454343 ))) 
6 0.1 0.1 peak 587 volume 13.12745 ppm1 4.334 ppm2 2.057
 
! ############### c13noe.588 folded -
assi (attr store1 < 1.703 and attr store1 > 1.603 )
     ((attr store1 < 4.367 and attr store1 > 4.307 ) and 
      (bondedto (attr store1 < 106.363054566  and attr store1 > 105.563054566 ) or 
       bondedto (attr store1 < 154.087163697  and attr store1 > 153.287163697) or 
       bondedto (attr store1 < 58.6389454343  and attr store1 > 57.8389454343 ))) 
6 0.1 0.1 peak 588 volume 22.29497 ppm1 4.337 ppm2 1.653
 
! ############### c13noe.589 folded -
assi (attr store1 < 0.947 and attr store1 > 0.847 )
     ((attr store1 < 4.367 and attr store1 > 4.307 ) and 
      (bondedto (attr store1 < 106.363054566  and attr store1 > 105.563054566 ) or 
       bondedto (attr store1 < 154.087163697  and attr store1 > 153.287163697) or 
       bondedto (attr store1 < 58.6389454343  and attr store1 > 57.8389454343 ))) 
6 0.1 0.1 peak 589 volume 21.01337 ppm1 4.337 ppm2 0.897
 
! ############### c13noe.590 folded -
assi (attr store1 < 1.581 and attr store1 > 1.481 )
     ((attr store1 < 4.363 and attr store1 > 4.303 ) and 
      (bondedto (attr store1 < 106.393054566  and attr store1 > 105.593054566 ) or 
       bondedto (attr store1 < 154.117163697  and attr store1 > 153.317163697) or 
       bondedto (attr store1 < 58.6689454343  and attr store1 > 57.8689454343 ))) 
6 0.1 0.1 peak 590 volume 9.22067 ppm1 4.333 ppm2 1.531
 
! ############### c13noe.591 folded -
assi (attr store1 < 1.576 and attr store1 > 1.476 )
     ((attr store1 < 4.303 and attr store1 > 4.243 ) and 
      (bondedto (attr store1 < 106.390054566  and attr store1 > 105.590054566 ) or 
       bondedto (attr store1 < 154.114163697  and attr store1 > 153.314163697) or 
       bondedto (attr store1 < 58.6659454343  and attr store1 > 57.8659454343 ))) 
6 0.1 0.1 peak 591 volume 9.77512 ppm1 4.273 ppm2 1.526
 
! ############### c13noe.592 folded -
assi (attr store1 < 1.37 and attr store1 > 1.27 )
     ((attr store1 < 4.298 and attr store1 > 4.238 ) and 
      (bondedto (attr store1 < 106.420054566  and attr store1 > 105.620054566 ) or 
       bondedto (attr store1 < 154.144163697  and attr store1 > 153.344163697) or 
       bondedto (attr store1 < 58.6959454343  and attr store1 > 57.8959454343 ))) 
6 0.1 0.1 peak 592 volume 8.58556 ppm1 4.268 ppm2 1.320
 
! ############### c13noe.593 folded -
assi (attr store1 < 1.011 and attr store1 > 0.911 )
     ((attr store1 < 4.29 and attr store1 > 4.23 ) and 
      (bondedto (attr store1 < 106.398054566  and attr store1 > 105.598054566 ) or 
       bondedto (attr store1 < 154.122163697  and attr store1 > 153.322163697) or 
       bondedto (attr store1 < 58.6739454343  and attr store1 > 57.8739454343 ))) 
6 0.1 0.1 peak 593 volume 24.28859 ppm1 4.260 ppm2 0.961
 
! ############### c13noe.594 folded -
assi (attr store1 < 1.476 and attr store1 > 1.376 )
     ((attr store1 < 4.274 and attr store1 > 4.214 ) and 
      (bondedto (attr store1 < 106.365054566  and attr store1 > 105.565054566 ) or 
       bondedto (attr store1 < 154.089163697  and attr store1 > 153.289163697) or 
       bondedto (attr store1 < 58.6409454343  and attr store1 > 57.8409454343 ))) 
6 0.1 0.1 peak 594 volume 7.68116 ppm1 4.244 ppm2 1.426
 
! ############### c13noe.595 folded -
assi (attr store1 < 7.944 and attr store1 > 7.844 )
     ((attr store1 < 4.219 and attr store1 > 4.159 ) and 
      (bondedto (attr store1 < 106.396054566  and attr store1 > 105.596054566 ) or 
       bondedto (attr store1 < 154.120163697  and attr store1 > 153.320163697) or 
       bondedto (attr store1 < 58.6719454343  and attr store1 > 57.8719454343 ))) 
6 0.1 0.1 peak 595 volume 10.77727 ppm1 4.189 ppm2 7.894
 
! ############### c13noe.596 folded -
assi (attr store1 < 7.875 and attr store1 > 7.775 )
     ((attr store1 < 4.219 and attr store1 > 4.159 ) and 
      (bondedto (attr store1 < 106.429054566  and attr store1 > 105.629054566 ) or 
       bondedto (attr store1 < 154.153163697  and attr store1 > 153.353163697) or 
       bondedto (attr store1 < 58.7049454343  and attr store1 > 57.9049454343 ))) 
6 0.1 0.1 peak 596 volume 41.20691 ppm1 4.189 ppm2 7.825
 
! ############### c13noe.597 folded -
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 4.218 and attr store1 > 4.158 ) and 
      (bondedto (attr store1 < 106.376054566  and attr store1 > 105.576054566 ) or 
       bondedto (attr store1 < 154.100163697  and attr store1 > 153.300163697) or 
       bondedto (attr store1 < 58.6519454343  and attr store1 > 57.8519454343 ))) 
6 0.1 0.1 peak 597 volume 9.61199 ppm1 4.188 ppm2 4.686
 
! ############### c13noe.598 folded -
assi (attr store1 < 4.029 and attr store1 > 3.929 )
     ((attr store1 < 4.219 and attr store1 > 4.159 ) and 
      (bondedto (attr store1 < 106.390054566  and attr store1 > 105.590054566 ) or 
       bondedto (attr store1 < 154.114163697  and attr store1 > 153.314163697) or 
       bondedto (attr store1 < 58.6659454343  and attr store1 > 57.8659454343 ))) 
6 0.1 0.1 peak 598 volume 17.95971 ppm1 4.189 ppm2 3.979
 
! ############### c13noe.599 folded -
assi (attr store1 < 2.141 and attr store1 > 2.041 )
     ((attr store1 < 4.217 and attr store1 > 4.157 ) and 
      (bondedto (attr store1 < 106.392054566  and attr store1 > 105.592054566 ) or 
       bondedto (attr store1 < 154.116163697  and attr store1 > 153.316163697) or 
       bondedto (attr store1 < 58.6679454343  and attr store1 > 57.8679454343 ))) 
6 0.1 0.1 peak 599 volume 17.8987 ppm1 4.187 ppm2 2.091
 
! ############### c13noe.600 folded -
assi (attr store1 < 2.058 and attr store1 > 1.958 )
     ((attr store1 < 4.22 and attr store1 > 4.16 ) and 
      (bondedto (attr store1 < 106.394054566  and attr store1 > 105.594054566 ) or 
       bondedto (attr store1 < 154.118163697  and attr store1 > 153.318163697) or 
       bondedto (attr store1 < 58.6699454343  and attr store1 > 57.8699454343 ))) 
6 0.1 0.1 peak 600 volume 64.17664 ppm1 4.190 ppm2 2.008
 
! ############### c13noe.601 folded -
assi (attr store1 < 1.695 and attr store1 > 1.595 )
     ((attr store1 < 4.219 and attr store1 > 4.159 ) and 
      (bondedto (attr store1 < 106.373054566  and attr store1 > 105.573054566 ) or 
       bondedto (attr store1 < 154.097163697  and attr store1 > 153.297163697) or 
       bondedto (attr store1 < 58.6489454343  and attr store1 > 57.8489454343 ))) 
6 0.1 0.1 peak 601 volume 35.63 ppm1 4.189 ppm2 1.645
 
! ############### c13noe.602 folded -
assi (attr store1 < 8.409 and attr store1 > 8.309 )
     ((attr store1 < 3.934 and attr store1 > 3.874 ) and 
      (bondedto (attr store1 < 106.438054566  and attr store1 > 105.638054566 ) or 
       bondedto (attr store1 < 154.162163697  and attr store1 > 153.362163697) or 
       bondedto (attr store1 < 58.7139454343  and attr store1 > 57.9139454343 ))) 
6 0.1 0.1 peak 602 volume 8.71249 ppm1 3.904 ppm2 8.359
 
! ############### c13noe.603 folded -
assi (attr store1 < 1.123 and attr store1 > 1.023 )
     ((attr store1 < 3.934 and attr store1 > 3.874 ) and 
      (bondedto (attr store1 < 106.427054566  and attr store1 > 105.627054566 ) or 
       bondedto (attr store1 < 154.151163697  and attr store1 > 153.351163697) or 
       bondedto (attr store1 < 58.7029454343  and attr store1 > 57.9029454343 ))) 
6 0.1 0.1 peak 603 volume 15.44933 ppm1 3.904 ppm2 1.073
 
! ############### c13noe.604 folded +
assi (attr store1 < 7.868 and attr store1 > 7.768 )
     ((attr store1 < 2.806 and attr store1 > 2.746 ) and 
      (bondedto (attr store1 < 130.124109131  and attr store1 > 129.324109131 ) or 
       bondedto (attr store1 < 82.4  and attr store1 > 81.6 ) or 
       bondedto (attr store1 < 34.6758908686  and attr store1 > 33.8758908686 ))) 
6 0.1 0.1 peak 604 volume 9.65515 ppm1 2.776 ppm2 7.818
 
! ############### c13noe.605 folded +
assi (attr store1 < 4.073 and attr store1 > 3.973 )
     ((attr store1 < 2.805 and attr store1 > 2.745 ) and 
      (bondedto (attr store1 < 130.139109131  and attr store1 > 129.339109131 ) or 
       bondedto (attr store1 < 82.415  and attr store1 > 81.615 ) or 
       bondedto (attr store1 < 34.6908908686  and attr store1 > 33.8908908686 ))) 
6 0.1 0.1 peak 605 volume 15.94967 ppm1 2.775 ppm2 4.023
 
! ############### c13noe.606 folded +
assi (attr store1 < 2.572 and attr store1 > 2.472 )
     ((attr store1 < 2.804 and attr store1 > 2.744 ) and 
      (bondedto (attr store1 < 130.129109131  and attr store1 > 129.329109131 ) or 
       bondedto (attr store1 < 82.405  and attr store1 > 81.605 ) or 
       bondedto (attr store1 < 34.6808908686  and attr store1 > 33.8808908686 ))) 
6 0.1 0.1 peak 606 volume 79.87775 ppm1 2.774 ppm2 2.522
 
! ############### c13noe.607 folded +
assi (attr store1 < 2.415 and attr store1 > 2.315 )
     ((attr store1 < 2.805 and attr store1 > 2.745 ) and 
      (bondedto (attr store1 < 130.128109131  and attr store1 > 129.328109131 ) or 
       bondedto (attr store1 < 82.404  and attr store1 > 81.604 ) or 
       bondedto (attr store1 < 34.6798908686  and attr store1 > 33.8798908686 ))) 
6 0.1 0.1 peak 607 volume 21.28920 ppm1 2.775 ppm2 2.365
 
! ############### c13noe.608 folded +
assi (attr store1 < 1.725 and attr store1 > 1.625 )
     ((attr store1 < 2.802 and attr store1 > 2.742 ) and 
      (bondedto (attr store1 < 130.122109131  and attr store1 > 129.322109131 ) or 
       bondedto (attr store1 < 82.398  and attr store1 > 81.598 ) or 
       bondedto (attr store1 < 34.6738908686  and attr store1 > 33.8738908686 ))) 
6 0.1 0.1 peak 608 volume 8.29256 ppm1 2.772 ppm2 1.675
 
! ############### c13noe.609 folded +
assi (attr store1 < 2.461 and attr store1 > 2.361 )
     ((attr store1 < 2.65 and attr store1 > 2.59 ) and 
      (bondedto (attr store1 < 130.204109131  and attr store1 > 129.404109131 ) or 
       bondedto (attr store1 < 82.48  and attr store1 > 81.68 ) or 
       bondedto (attr store1 < 34.7558908686  and attr store1 > 33.9558908686 ))) 
6 0.1 0.1 peak 609 volume 207.04927 ppm1 2.620 ppm2 2.411
 
! ############### c13noe.610 folded +
assi (attr store1 < 0.921 and attr store1 > 0.821 )
     ((attr store1 < 2.648 and attr store1 > 2.588 ) and 
      (bondedto (attr store1 < 130.192109131  and attr store1 > 129.392109131 ) or 
       bondedto (attr store1 < 82.468  and attr store1 > 81.668 ) or 
       bondedto (attr store1 < 34.7438908686  and attr store1 > 33.9438908686 ))) 
6 0.1 0.1 peak 610 volume 16.01088 ppm1 2.618 ppm2 0.871
 
! ############### c13noe.611 folded +
assi (attr store1 < 1.727 and attr store1 > 1.627 )
     ((attr store1 < 2.559 and attr store1 > 2.499 ) and 
      (bondedto (attr store1 < 130.149109131  and attr store1 > 129.349109131 ) or 
       bondedto (attr store1 < 82.425  and attr store1 > 81.625 ) or 
       bondedto (attr store1 < 34.7008908686  and attr store1 > 33.9008908686 ))) 
6 0.1 0.1 peak 611 volume 10.43619 ppm1 2.529 ppm2 1.677
 
! ############### c13noe.612 folded +
assi (attr store1 < 1.199 and attr store1 > 1.099 )
     ((attr store1 < 2.559 and attr store1 > 2.499 ) and 
      (bondedto (attr store1 < 130.189109131  and attr store1 > 129.389109131 ) or 
       bondedto (attr store1 < 82.465  and attr store1 > 81.665 ) or 
       bondedto (attr store1 < 34.7408908686  and attr store1 > 33.9408908686 ))) 
6 0.1 0.1 peak 612 volume 6.47955 ppm1 2.529 ppm2 1.149
 
! ############### c13noe.613 folded +
assi (attr store1 < 4.079 and attr store1 > 3.979 )
     ((attr store1 < 2.555 and attr store1 > 2.495 ) and 
      (bondedto (attr store1 < 130.163109131  and attr store1 > 129.363109131 ) or 
       bondedto (attr store1 < 82.439  and attr store1 > 81.639 ) or 
       bondedto (attr store1 < 34.7148908686  and attr store1 > 33.9148908686 ))) 
6 0.1 0.1 peak 613 volume 17.85836 ppm1 2.525 ppm2 4.029
 
! ############### c13noe.614 folded +
assi (attr store1 < 2.823 and attr store1 > 2.723 )
     ((attr store1 < 2.556 and attr store1 > 2.496 ) and 
      (bondedto (attr store1 < 130.141109131  and attr store1 > 129.341109131 ) or 
       bondedto (attr store1 < 82.417  and attr store1 > 81.617 ) or 
       bondedto (attr store1 < 34.6928908686  and attr store1 > 33.8928908686 ))) 
6 0.1 0.1 peak 614 volume 84.53951 ppm1 2.526 ppm2 2.773
 
! ############### c13noe.615 folded +
assi (attr store1 < 7.867 and attr store1 > 7.767 )
     ((attr store1 < 2.549 and attr store1 > 2.489 ) and 
      (bondedto (attr store1 < 130.137109131  and attr store1 > 129.337109131 ) or 
       bondedto (attr store1 < 82.413  and attr store1 > 81.613 ) or 
       bondedto (attr store1 < 34.6888908686  and attr store1 > 33.8888908686 ))) 
6 0.1 0.1 peak 615 volume 8.52689 ppm1 2.519 ppm2 7.817
 
! ############### c13noe.616 folded +
assi (attr store1 < 4.349 and attr store1 > 4.249 )
     ((attr store1 < 2.527 and attr store1 > 2.467 ) and 
      (bondedto (attr store1 < 130.155109131  and attr store1 > 129.355109131 ) or 
       bondedto (attr store1 < 82.431  and attr store1 > 81.631 ) or 
       bondedto (attr store1 < 34.7068908686  and attr store1 > 33.9068908686 ))) 
6 0.1 0.1 peak 616 volume 9.92622 ppm1 2.497 ppm2 4.299
 
! ############### c13noe.617 folded +
assi (attr store1 < 7.492 and attr store1 > 7.392 )
     ((attr store1 < 2.444 and attr store1 > 2.384 ) and 
      (bondedto (attr store1 < 130.200109131  and attr store1 > 129.400109131 ) or 
       bondedto (attr store1 < 82.476  and attr store1 > 81.676 ) or 
       bondedto (attr store1 < 34.7518908686  and attr store1 > 33.9518908686 ))) 
6 0.1 0.1 peak 617 volume 11.70170 ppm1 2.414 ppm2 7.442
 
! ############### c13noe.618 folded +
assi (attr store1 < 4.211 and attr store1 > 4.111 )
     ((attr store1 < 2.441 and attr store1 > 2.381 ) and 
      (bondedto (attr store1 < 130.182109131  and attr store1 > 129.382109131 ) or 
       bondedto (attr store1 < 82.458  and attr store1 > 81.658 ) or 
       bondedto (attr store1 < 34.7338908686  and attr store1 > 33.9338908686 ))) 
6 0.1 0.1 peak 618 volume 29.31751 ppm1 2.411 ppm2 4.161
 
! ############### c13noe.619 folded +
assi (attr store1 < 1.008 and attr store1 > 0.908 )
     ((attr store1 < 2.441 and attr store1 > 2.381 ) and 
      (bondedto (attr store1 < 130.202109131  and attr store1 > 129.402109131 ) or 
       bondedto (attr store1 < 82.478  and attr store1 > 81.678 ) or 
       bondedto (attr store1 < 34.7538908686  and attr store1 > 33.9538908686 ))) 
6 0.1 0.1 peak 619 volume 19.88570 ppm1 2.411 ppm2 0.958
 
! ############### c13noe.620 folded +
assi (attr store1 < 3.849 and attr store1 > 3.749 )
     ((attr store1 < 2.438 and attr store1 > 2.378 ) and 
      (bondedto (attr store1 < 130.193109131  and attr store1 > 129.393109131 ) or 
       bondedto (attr store1 < 82.469  and attr store1 > 81.669 ) or 
       bondedto (attr store1 < 34.7448908686  and attr store1 > 33.9448908686 ))) 
6 0.1 0.1 peak 620 volume 7.54474 ppm1 2.408 ppm2 3.799
 
! ############### c13noe.621 folded +
assi (attr store1 < 2.67 and attr store1 > 2.57 )
     ((attr store1 < 2.44 and attr store1 > 2.38 ) and 
      (bondedto (attr store1 < 130.196109131  and attr store1 > 129.396109131 ) or 
       bondedto (attr store1 < 82.472  and attr store1 > 81.672 ) or 
       bondedto (attr store1 < 34.7478908686  and attr store1 > 33.9478908686 ))) 
6 0.1 0.1 peak 621 volume 232.96666 ppm1 2.410 ppm2 2.620
 
! ############### c13noe.622 folded +
assi (attr store1 < 4.394 and attr store1 > 4.294 )
     ((attr store1 < 1.988 and attr store1 > 1.928 ) and 
      (bondedto (attr store1 < 130.165109131  and attr store1 > 129.365109131 ) or 
       bondedto (attr store1 < 82.441  and attr store1 > 81.641 ) or 
       bondedto (attr store1 < 34.7168908686  and attr store1 > 33.9168908686 ))) 
6 0.1 0.1 peak 622 volume 10.33912 ppm1 1.958 ppm2 4.344
 
! ############### c13noe.623 folded +
assi (attr store1 < 1.76 and attr store1 > 1.66 )
     ((attr store1 < 1.971 and attr store1 > 1.911 ) and 
      (bondedto (attr store1 < 130.195109131  and attr store1 > 129.395109131 ) or 
       bondedto (attr store1 < 82.471  and attr store1 > 81.671 ) or 
       bondedto (attr store1 < 34.7468908686  and attr store1 > 33.9468908686 ))) 
6 0.1 0.1 peak 623 volume 20.07632 ppm1 1.941 ppm2 1.710
 
! ############### c13noe.624 folded +
assi (attr store1 < 1.544 and attr store1 > 1.444 )
     ((attr store1 < 1.971 and attr store1 > 1.911 ) and 
      (bondedto (attr store1 < 130.179109131  and attr store1 > 129.379109131 ) or 
       bondedto (attr store1 < 82.455  and attr store1 > 81.655 ) or 
       bondedto (attr store1 < 34.7308908686  and attr store1 > 33.9308908686 ))) 
6 0.1 0.1 peak 624 volume 9.06515 ppm1 1.941 ppm2 1.494
 
! ############### c13noe.625 folded +
assi (attr store1 < 1.552 and attr store1 > 1.452 )
     ((attr store1 < 1.948 and attr store1 > 1.888 ) and 
      (bondedto (attr store1 < 130.172109131  and attr store1 > 129.372109131 ) or 
       bondedto (attr store1 < 82.448  and attr store1 > 81.648 ) or 
       bondedto (attr store1 < 34.7238908686  and attr store1 > 33.9238908686 ))) 
6 0.1 0.1 peak 625 volume 9.36009 ppm1 1.918 ppm2 1.502
 
! ############### c13noe.626 folded +
assi (attr store1 < 2.268 and attr store1 > 2.168 )
     ((attr store1 < 1.921 and attr store1 > 1.861 ) and 
      (bondedto (attr store1 < 130.190109131  and attr store1 > 129.390109131 ) or 
       bondedto (attr store1 < 82.466  and attr store1 > 81.666 ) or 
       bondedto (attr store1 < 34.7418908686  and attr store1 > 33.9418908686 ))) 
6 0.1 0.1 peak 626 volume 9.30690 ppm1 1.891 ppm2 2.218
 
! ############### c13noe.627 folded -
assi (attr store1 < 7.598 and attr store1 > 7.498 )
     ((attr store1 < 4.372 and attr store1 > 4.312 ) and 
      (bondedto (attr store1 < 106.343054566  and attr store1 > 105.543054566 ) or 
       bondedto (attr store1 < 154.067163697  and attr store1 > 153.267163697) or 
       bondedto (attr store1 < 58.6189454343  and attr store1 > 57.8189454343 ))) 
6 0.1 0.1 peak 627 volume 12.6346 ppm1 4.342 ppm2 7.548
 
! ############### c13noe.628 folded -
assi (attr store1 < 2.66 and attr store1 > 2.56 )
     ((attr store1 < 4.369 and attr store1 > 4.309 ) and 
      (bondedto (attr store1 < 106.333054566  and attr store1 > 105.533054566 ) or 
       bondedto (attr store1 < 154.057163697  and attr store1 > 153.257163697) or 
       bondedto (attr store1 < 58.6089454343  and attr store1 > 57.8089454343 ))) 
6 0.1 0.1 peak 628 volume 9.19371 ppm1 4.339 ppm2 2.610
 
! ############### c13noe.629 folded -
assi (attr store1 < 1.544 and attr store1 > 1.444 )
     ((attr store1 < 4.372 and attr store1 > 4.312 ) and 
      (bondedto (attr store1 < 106.308054566  and attr store1 > 105.508054566 ) or 
       bondedto (attr store1 < 154.032163697  and attr store1 > 153.232163697) or 
       bondedto (attr store1 < 58.5839454343  and attr store1 > 57.7839454343 ))) 
6 0.1 0.1 peak 629 volume 10.55397 ppm1 4.342 ppm2 1.494
 
! ############### c13noe.630 folded -
assi (attr store1 < 4.74 and attr store1 > 4.64 )
     ((attr store1 < 4.367 and attr store1 > 4.307 ) and 
      (bondedto (attr store1 < 106.328054566  and attr store1 > 105.528054566 ) or 
       bondedto (attr store1 < 154.052163697  and attr store1 > 153.252163697) or 
       bondedto (attr store1 < 58.6039454343  and attr store1 > 57.8039454343 ))) 
6 0.1 0.1 peak 630 volume 7.56792 ppm1 4.337 ppm2 4.690
 
! ############### c13noe.631 folded -
assi (attr store1 < 1.11 and attr store1 > 1.01 )
     ((attr store1 < 4.365 and attr store1 > 4.305 ) and 
      (bondedto (attr store1 < 106.327054566  and attr store1 > 105.527054566 ) or 
       bondedto (attr store1 < 154.051163697  and attr store1 > 153.251163697) or 
       bondedto (attr store1 < 58.6029454343  and attr store1 > 57.8029454343 ))) 
6 0.1 0.1 peak 631 volume 19.74417 ppm1 4.335 ppm2 1.060
 
! ############### c13noe.632 folded -
assi (attr store1 < 2.564 and attr store1 > 2.464 )
     ((attr store1 < 4.362 and attr store1 > 4.302 ) and 
      (bondedto (attr store1 < 106.342054566  and attr store1 > 105.542054566 ) or 
       bondedto (attr store1 < 154.066163697  and attr store1 > 153.266163697) or 
       bondedto (attr store1 < 58.6179454343  and attr store1 > 57.8179454343 ))) 
6 0.1 0.1 peak 632 volume 9.21866 ppm1 4.332 ppm2 2.514
 
! ############### c13noe.633 folded -
assi (attr store1 < 1.565 and attr store1 > 1.465 )
     ((attr store1 < 4.287 and attr store1 > 4.227 ) and 
      (bondedto (attr store1 < 106.306054566  and attr store1 > 105.506054566 ) or 
       bondedto (attr store1 < 154.030163697  and attr store1 > 153.230163697) or 
       bondedto (attr store1 < 58.5819454343  and attr store1 > 57.7819454343 ))) 
6 0.1 0.1 peak 633 volume 10.27142 ppm1 4.257 ppm2 1.515
 
! ############### c13noe.634 folded -
assi (attr store1 < 1.472 and attr store1 > 1.372 )
     ((attr store1 < 4.288 and attr store1 > 4.228 ) and 
      (bondedto (attr store1 < 106.328054566  and attr store1 > 105.528054566 ) or 
       bondedto (attr store1 < 154.052163697  and attr store1 > 153.252163697) or 
       bondedto (attr store1 < 58.6039454343  and attr store1 > 57.8039454343 ))) 
6 0.1 0.1 peak 634 volume 8.06625 ppm1 4.258 ppm2 1.422
 
! ############### c13noe.635 folded -
assi (attr store1 < 1.1 and attr store1 > 1.0 )
     ((attr store1 < 4.268 and attr store1 > 4.208 ) and 
      (bondedto (attr store1 < 106.281054566  and attr store1 > 105.481054566 ) or 
       bondedto (attr store1 < 154.005163697  and attr store1 > 153.205163697) or 
       bondedto (attr store1 < 58.5569454343  and attr store1 > 57.7569454343 ))) 
6 0.1 0.1 peak 635 volume 10.96684 ppm1 4.238 ppm2 1.050
 
! ############### c13noe.636 folded -
assi (attr store1 < 3.4 and attr store1 > 3.3 )
     ((attr store1 < 4.233 and attr store1 > 4.173 ) and 
      (bondedto (attr store1 < 106.303054566  and attr store1 > 105.503054566 ) or 
       bondedto (attr store1 < 154.027163697  and attr store1 > 153.227163697) or 
       bondedto (attr store1 < 58.5789454343  and attr store1 > 57.7789454343 ))) 
6 0.1 0.1 peak 636 volume 7.10512 ppm1 4.203 ppm2 3.350
 
! ############### c13noe.637 folded -
assi (attr store1 < 2.658 and attr store1 > 2.558 )
     ((attr store1 < 4.223 and attr store1 > 4.163 ) and 
      (bondedto (attr store1 < 106.330054566  and attr store1 > 105.530054566 ) or 
       bondedto (attr store1 < 154.054163697  and attr store1 > 153.254163697) or 
       bondedto (attr store1 < 58.6059454343  and attr store1 > 57.8059454343 ))) 
6 0.1 0.1 peak 637 volume 8.34648 ppm1 4.193 ppm2 2.608
 
! ############### c13noe.638 folded -
assi (attr store1 < 1.968 and attr store1 > 1.868 )
     ((attr store1 < 4.223 and attr store1 > 4.163 ) and 
      (bondedto (attr store1 < 106.313054566  and attr store1 > 105.513054566 ) or 
       bondedto (attr store1 < 154.037163697  and attr store1 > 153.237163697) or 
       bondedto (attr store1 < 58.5889454343  and attr store1 > 57.7889454343 ))) 
6 0.1 0.1 peak 638 volume 15.06092 ppm1 4.193 ppm2 1.918
 
! ############### c13noe.639 folded -
assi (attr store1 < 3.401 and attr store1 > 3.301 )
     ((attr store1 < 4.218 and attr store1 > 4.158 ) and 
      (bondedto (attr store1 < 106.265054566  and attr store1 > 105.465054566 ) or 
       bondedto (attr store1 < 153.989163697  and attr store1 > 153.189163697) or 
       bondedto (attr store1 < 58.5409454343  and attr store1 > 57.7409454343 ))) 
6 0.1 0.1 peak 639 volume 7.8633 ppm1 4.188 ppm2 3.351
 
! ############### c13noe.640 folded -
assi (attr store1 < 1.914 and attr store1 > 1.814 )
     ((attr store1 < 4.216 and attr store1 > 4.156 ) and 
      (bondedto (attr store1 < 106.282054566  and attr store1 > 105.482054566 ) or 
       bondedto (attr store1 < 154.006163697  and attr store1 > 153.206163697) or 
       bondedto (attr store1 < 58.5579454343  and attr store1 > 57.7579454343 ))) 
6 0.1 0.1 peak 640 volume 15.97701 ppm1 4.186 ppm2 1.864
 
! ############### c13noe.641 folded -
assi (attr store1 < 7.927 and attr store1 > 7.827 )
     ((attr store1 < 4.038 and attr store1 > 3.978 ) and 
      (bondedto (attr store1 < 106.256054566  and attr store1 > 105.456054566 ) or 
       bondedto (attr store1 < 153.980163697  and attr store1 > 153.180163697) or 
       bondedto (attr store1 < 58.5319454343  and attr store1 > 57.7319454343 ))) 
6 0.1 0.1 peak 641 volume 11.71321 ppm1 4.008 ppm2 7.877
 
! ############### c13noe.642 folded -
assi (attr store1 < 0.839 and attr store1 > 0.739 )
     ((attr store1 < 4.02 and attr store1 > 3.96 ) and 
      (bondedto (attr store1 < 106.312054566  and attr store1 > 105.512054566 ) or 
       bondedto (attr store1 < 154.036163697  and attr store1 > 153.236163697) or 
       bondedto (attr store1 < 58.5879454343  and attr store1 > 57.7879454343 ))) 
6 0.1 0.1 peak 642 volume 33.99596 ppm1 3.990 ppm2 0.789
 
! ############### c13noe.643 folded -
assi (attr store1 < 7.627 and attr store1 > 7.527 )
     ((attr store1 < 4.017 and attr store1 > 3.957 ) and 
      (bondedto (attr store1 < 106.307054566  and attr store1 > 105.507054566 ) or 
       bondedto (attr store1 < 154.031163697  and attr store1 > 153.231163697) or 
       bondedto (attr store1 < 58.5829454343  and attr store1 > 57.7829454343 ))) 
6 0.1 0.1 peak 643 volume 9.58956 ppm1 3.987 ppm2 7.577
 
! ############### c13noe.644 folded -
assi (attr store1 < 1.484 and attr store1 > 1.384 )
     ((attr store1 < 4.014 and attr store1 > 3.954 ) and 
      (bondedto (attr store1 < 106.307054566  and attr store1 > 105.507054566 ) or 
       bondedto (attr store1 < 154.031163697  and attr store1 > 153.231163697) or 
       bondedto (attr store1 < 58.5829454343  and attr store1 > 57.7829454343 ))) 
6 0.1 0.1 peak 644 volume 8.53203 ppm1 3.984 ppm2 1.434
 
! ############### c13noe.645 folded -
assi (attr store1 < 0.428 and attr store1 > 0.328 )
     ((attr store1 < 4.016 and attr store1 > 3.956 ) and 
      (bondedto (attr store1 < 106.276054566  and attr store1 > 105.476054566 ) or 
       bondedto (attr store1 < 154.000163697  and attr store1 > 153.200163697) or 
       bondedto (attr store1 < 58.5519454343  and attr store1 > 57.7519454343 ))) 
6 0.1 0.1 peak 645 volume 8.5718 ppm1 3.986 ppm2 0.378
 
! ############### c13noe.646 folded -
assi (attr store1 < 0.766 and attr store1 > 0.666 )
     ((attr store1 < 3.999 and attr store1 > 3.939 ) and 
      (bondedto (attr store1 < 106.267054566  and attr store1 > 105.467054566 ) or 
       bondedto (attr store1 < 153.991163697  and attr store1 > 153.191163697) or 
       bondedto (attr store1 < 58.5429454343  and attr store1 > 57.7429454343 ))) 
6 0.1 0.1 peak 646 volume 6.63372 ppm1 3.969 ppm2 0.716
 
! ############### c13noe.647 folded -
assi (attr store1 < 1.947 and attr store1 > 1.847 )
     ((attr store1 < 3.932 and attr store1 > 3.872 ) and 
      (bondedto (attr store1 < 106.346054566  and attr store1 > 105.546054566 ) or 
       bondedto (attr store1 < 154.070163697  and attr store1 > 153.270163697) or 
       bondedto (attr store1 < 58.6219454343  and attr store1 > 57.8219454343 ))) 
6 0.1 0.1 peak 647 volume 8.19005 ppm1 3.902 ppm2 1.897
 
! ############### c13noe.648 folded -
assi (attr store1 < 2.358 and attr store1 > 2.258 )
     ((attr store1 < 1.972 and attr store1 > 1.912 ) and 
      (bondedto (attr store1 < 106.281054566  and attr store1 > 105.481054566 ) or 
       bondedto (attr store1 < 154.005163697  and attr store1 > 153.205163697) or 
       bondedto (attr store1 < 58.5569454343  and attr store1 > 57.7569454343 ))) 
6 0.1 0.1 peak 648 volume 20.05691 ppm1 1.942 ppm2 2.308
 
! ############### c13noe.649 folded -
assi (attr store1 < 1.246 and attr store1 > 1.146 )
     ((attr store1 < 1.484 and attr store1 > 1.424 ) and 
      (bondedto (attr store1 < 106.261054566  and attr store1 > 105.461054566 ) or 
       bondedto (attr store1 < 153.985163697  and attr store1 > 153.185163697) or 
       bondedto (attr store1 < 58.5369454343  and attr store1 > 57.7369454343 ))) 
6 0.1 0.1 peak 649 volume 18.38883 ppm1 1.454 ppm2 1.196
 
! ############### c13noe.650 folded -
assi (attr store1 < 1.501 and attr store1 > 1.401 )
     ((attr store1 < 1.224 and attr store1 > 1.164 ) and 
      (bondedto (attr store1 < 106.262054566  and attr store1 > 105.462054566 ) or 
       bondedto (attr store1 < 153.986163697  and attr store1 > 153.186163697) or 
       bondedto (attr store1 < 58.5379454343  and attr store1 > 57.7379454343 ))) 
6 0.1 0.1 peak 650 volume 15.75288 ppm1 1.194 ppm2 1.451
 
! ############### c13noe.651 folded +
assi (attr store1 < 8.054 and attr store1 > 7.954 )
     ((attr store1 < 2.828 and attr store1 > 2.768 ) and 
      (bondedto (attr store1 < 130.050109131  and attr store1 > 129.250109131 ) or 
       bondedto (attr store1 < 82.326  and attr store1 > 81.526 ) or 
       bondedto (attr store1 < 34.6018908686  and attr store1 > 33.8018908686 ))) 
6 0.1 0.1 peak 651 volume 7.94254 ppm1 2.798 ppm2 8.004
 
! ############### c13noe.652 folded +
assi (attr store1 < 8.046 and attr store1 > 7.946 )
     ((attr store1 < 2.819 and attr store1 > 2.759 ) and 
      (bondedto (attr store1 < 130.054109131  and attr store1 > 129.254109131 ) or 
       bondedto (attr store1 < 82.33  and attr store1 > 81.53 ) or 
       bondedto (attr store1 < 34.6058908686  and attr store1 > 33.8058908686 ))) 
6 0.1 0.1 peak 652 volume 7.63325 ppm1 2.789 ppm2 7.996
 
! ############### c13noe.653 folded +
assi (attr store1 < 4.283 and attr store1 > 4.183 )
     ((attr store1 < 2.812 and attr store1 > 2.752 ) and 
      (bondedto (attr store1 < 130.060109131  and attr store1 > 129.260109131 ) or 
       bondedto (attr store1 < 82.336  and attr store1 > 81.536 ) or 
       bondedto (attr store1 < 34.6118908686  and attr store1 > 33.8118908686 ))) 
6 0.1 0.1 peak 653 volume 9.50367 ppm1 2.782 ppm2 4.233
 
! ############### c13noe.654 folded +
assi (attr store1 < 4.165 and attr store1 > 4.065 )
     ((attr store1 < 2.803 and attr store1 > 2.743 ) and 
      (bondedto (attr store1 < 130.107109131  and attr store1 > 129.307109131 ) or 
       bondedto (attr store1 < 82.383  and attr store1 > 81.583 ) or 
       bondedto (attr store1 < 34.6588908686  and attr store1 > 33.8588908686 ))) 
6 0.1 0.1 peak 654 volume 14.22828 ppm1 2.773 ppm2 4.115
 
! ############### c13noe.655 folded +
assi (attr store1 < 4.088 and attr store1 > 3.988 )
     ((attr store1 < 2.569 and attr store1 > 2.509 ) and 
      (bondedto (attr store1 < 130.053109131  and attr store1 > 129.253109131 ) or 
       bondedto (attr store1 < 82.329  and attr store1 > 81.529 ) or 
       bondedto (attr store1 < 34.6048908686  and attr store1 > 33.8048908686 ))) 
6 0.1 0.1 peak 655 volume 18.01997 ppm1 2.539 ppm2 4.038
 
! ############### c13noe.656 folded +
assi (attr store1 < 7.673 and attr store1 > 7.573 )
     ((attr store1 < 2.562 and attr store1 > 2.502 ) and 
      (bondedto (attr store1 < 130.089109131  and attr store1 > 129.289109131 ) or 
       bondedto (attr store1 < 82.365  and attr store1 > 81.565 ) or 
       bondedto (attr store1 < 34.6408908686  and attr store1 > 33.8408908686 ))) 
6 0.1 0.1 peak 656 volume 8.04470 ppm1 2.532 ppm2 7.623
 
! ############### c13noe.657 folded +
assi (attr store1 < 8.055 and attr store1 > 7.955 )
     ((attr store1 < 2.541 and attr store1 > 2.481 ) and 
      (bondedto (attr store1 < 130.038109131  and attr store1 > 129.238109131 ) or 
       bondedto (attr store1 < 82.314  and attr store1 > 81.514 ) or 
       bondedto (attr store1 < 34.5898908686  and attr store1 > 33.7898908686 ))) 
6 0.1 0.1 peak 657 volume 9.43213 ppm1 2.511 ppm2 8.005
 
! ############### c13noe.658 folded +
assi (attr store1 < 4.285 and attr store1 > 4.185 )
     ((attr store1 < 2.538 and attr store1 > 2.478 ) and 
      (bondedto (attr store1 < 130.054109131  and attr store1 > 129.254109131 ) or 
       bondedto (attr store1 < 82.33  and attr store1 > 81.53 ) or 
       bondedto (attr store1 < 34.6058908686  and attr store1 > 33.8058908686 ))) 
6 0.1 0.1 peak 658 volume 13.08260 ppm1 2.508 ppm2 4.235
 
! ############### c13noe.659 folded +
assi (attr store1 < 7.803 and attr store1 > 7.703 )
     ((attr store1 < 2.526 and attr store1 > 2.466 ) and 
      (bondedto (attr store1 < 130.064109131  and attr store1 > 129.264109131 ) or 
       bondedto (attr store1 < 82.34  and attr store1 > 81.54 ) or 
       bondedto (attr store1 < 34.6158908686  and attr store1 > 33.8158908686 ))) 
6 0.1 0.1 peak 659 volume 7.56577 ppm1 2.496 ppm2 7.753
 
! ############### c13noe.660 folded +
assi (attr store1 < 4.31 and attr store1 > 4.21 )
     ((attr store1 < 2.525 and attr store1 > 2.465 ) and 
      (bondedto (attr store1 < 130.032109131  and attr store1 > 129.232109131 ) or 
       bondedto (attr store1 < 82.308  and attr store1 > 81.508 ) or 
       bondedto (attr store1 < 34.5838908686  and attr store1 > 33.7838908686 ))) 
6 0.1 0.1 peak 660 volume 13.54519 ppm1 2.495 ppm2 4.260
 
! ############### c13noe.661 folded +
assi (attr store1 < 8.057 and attr store1 > 7.957 )
     ((attr store1 < 2.52 and attr store1 > 2.46 ) and 
      (bondedto (attr store1 < 130.059109131  and attr store1 > 129.259109131 ) or 
       bondedto (attr store1 < 82.335  and attr store1 > 81.535 ) or 
       bondedto (attr store1 < 34.6108908686  and attr store1 > 33.8108908686 ))) 
6 0.1 0.1 peak 661 volume 8.60607 ppm1 2.490 ppm2 8.007
 
! ############### c13noe.662 folded +
assi (attr store1 < 4.466 and attr store1 > 4.366 )
     ((attr store1 < 2.516 and attr store1 > 2.456 ) and 
      (bondedto (attr store1 < 130.038109131  and attr store1 > 129.238109131 ) or 
       bondedto (attr store1 < 82.314  and attr store1 > 81.514 ) or 
       bondedto (attr store1 < 34.5898908686  and attr store1 > 33.7898908686 ))) 
6 0.1 0.1 peak 662 volume 42.17517 ppm1 2.486 ppm2 4.416
 
! ############### c13noe.663 folded +
assi (attr store1 < 7.545 and attr store1 > 7.445 )
     ((attr store1 < 2.505 and attr store1 > 2.445 ) and 
      (bondedto (attr store1 < 130.062109131  and attr store1 > 129.262109131 ) or 
       bondedto (attr store1 < 82.338  and attr store1 > 81.538 ) or 
       bondedto (attr store1 < 34.6138908686  and attr store1 > 33.8138908686 ))) 
6 0.1 0.1 peak 663 volume 8.95842 ppm1 2.475 ppm2 7.495
 
! ############### c13noe.664 folded +
assi (attr store1 < 8.168 and attr store1 > 8.068 )
     ((attr store1 < 2.498 and attr store1 > 2.438 ) and 
      (bondedto (attr store1 < 130.032109131  and attr store1 > 129.232109131 ) or 
       bondedto (attr store1 < 82.308  and attr store1 > 81.508 ) or 
       bondedto (attr store1 < 34.5838908686  and attr store1 > 33.7838908686 ))) 
6 0.1 0.1 peak 664 volume 12.11403 ppm1 2.468 ppm2 8.118
 
! ############### c13noe.665 folded +
assi (attr store1 < 2.506 and attr store1 > 2.406 )
     ((attr store1 < 1.041 and attr store1 > 0.981 ) and 
      (bondedto (attr store1 < 130.032109131  and attr store1 > 129.232109131 ) or 
       bondedto (attr store1 < 82.308  and attr store1 > 81.508 ) or 
       bondedto (attr store1 < 34.5838908686  and attr store1 > 33.7838908686 ))) 
6 0.1 0.1 peak 665 volume 11.76619 ppm1 1.011 ppm2 2.456
 
! ############### c13noe.666 folded -
assi (attr store1 < 7.786 and attr store1 > 7.686 )
     ((attr store1 < 4.477 and attr store1 > 4.417 ) and 
      (bondedto (attr store1 < 106.167054566  and attr store1 > 105.367054566 ) or 
       bondedto (attr store1 < 153.891163697  and attr store1 > 153.091163697) or 
       bondedto (attr store1 < 58.4429454343  and attr store1 > 57.6429454343 ))) 
6 0.1 0.1 peak 666 volume 9.39253 ppm1 4.447 ppm2 7.736
 
! ############### c13noe.667 folded -
assi (attr store1 < 3.059 and attr store1 > 2.959 )
     ((attr store1 < 4.47 and attr store1 > 4.41 ) and 
      (bondedto (attr store1 < 106.208054566  and attr store1 > 105.408054566 ) or 
       bondedto (attr store1 < 153.932163697  and attr store1 > 153.132163697) or 
       bondedto (attr store1 < 58.4839454343  and attr store1 > 57.6839454343 ))) 
6 0.1 0.1 peak 667 volume 29.48186 ppm1 4.440 ppm2 3.009
 
! ############### c13noe.668 folded -
assi (attr store1 < 2.771 and attr store1 > 2.671 )
     ((attr store1 < 4.47 and attr store1 > 4.41 ) and 
      (bondedto (attr store1 < 106.207054566  and attr store1 > 105.407054566 ) or 
       bondedto (attr store1 < 153.931163697  and attr store1 > 153.131163697) or 
       bondedto (attr store1 < 58.4829454343  and attr store1 > 57.6829454343 ))) 
6 0.1 0.1 peak 668 volume 23.40823 ppm1 4.440 ppm2 2.721
 
! ############### c13noe.669 folded -
assi (attr store1 < 8.404 and attr store1 > 8.304 )
     ((attr store1 < 4.466 and attr store1 > 4.406 ) and 
      (bondedto (attr store1 < 106.209054566  and attr store1 > 105.409054566 ) or 
       bondedto (attr store1 < 153.933163697  and attr store1 > 153.133163697) or 
       bondedto (attr store1 < 58.4849454343  and attr store1 > 57.6849454343 ))) 
6 0.1 0.1 peak 669 volume 20.84249 ppm1 4.436 ppm2 8.354
 
! ############### c13noe.670 folded -
assi (attr store1 < 8.491 and attr store1 > 8.391 )
     ((attr store1 < 4.458 and attr store1 > 4.398 ) and 
      (bondedto (attr store1 < 106.164054566  and attr store1 > 105.364054566 ) or 
       bondedto (attr store1 < 153.888163697  and attr store1 > 153.088163697) or 
       bondedto (attr store1 < 58.4399454343  and attr store1 > 57.6399454343 ))) 
6 0.1 0.1 peak 670 volume 19.69337 ppm1 4.428 ppm2 8.441
 
! ############### c13noe.671 folded -
assi (attr store1 < 7.817 and attr store1 > 7.717 )
     ((attr store1 < 4.462 and attr store1 > 4.402 ) and 
      (bondedto (attr store1 < 106.212054566  and attr store1 > 105.412054566 ) or 
       bondedto (attr store1 < 153.936163697  and attr store1 > 153.136163697) or 
       bondedto (attr store1 < 58.4879454343  and attr store1 > 57.6879454343 ))) 
6 0.1 0.1 peak 671 volume 12.09134 ppm1 4.432 ppm2 7.767
 
! ############### c13noe.672 folded -
assi (attr store1 < 8.75 and attr store1 > 8.65 )
     ((attr store1 < 4.223 and attr store1 > 4.163 ) and 
      (bondedto (attr store1 < 106.226054566  and attr store1 > 105.426054566 ) or 
       bondedto (attr store1 < 153.950163697  and attr store1 > 153.150163697) or 
       bondedto (attr store1 < 58.5019454343  and attr store1 > 57.7019454343 ))) 
6 0.1 0.1 peak 672 volume 6.825 ppm1 4.193 ppm2 8.700
 
! ############### c13noe.673 folded -
assi (attr store1 < 2.521 and attr store1 > 2.421 )
     ((attr store1 < 4.226 and attr store1 > 4.166 ) and 
      (bondedto (attr store1 < 106.203054566  and attr store1 > 105.403054566 ) or 
       bondedto (attr store1 < 153.927163697  and attr store1 > 153.127163697) or 
       bondedto (attr store1 < 58.4789454343  and attr store1 > 57.6789454343 ))) 
6 0.1 0.1 peak 673 volume 8.40105 ppm1 4.196 ppm2 2.471
 
! ############### c13noe.674 folded -
assi (attr store1 < 8.49 and attr store1 > 8.39 )
     ((attr store1 < 4.22 and attr store1 > 4.16 ) and 
      (bondedto (attr store1 < 106.211054566  and attr store1 > 105.411054566 ) or 
       bondedto (attr store1 < 153.935163697  and attr store1 > 153.135163697) or 
       bondedto (attr store1 < 58.4869454343  and attr store1 > 57.6869454343 ))) 
6 0.1 0.1 peak 674 volume 10.09573 ppm1 4.190 ppm2 8.440
 
! ############### c13noe.675 folded -
assi (attr store1 < 7.975 and attr store1 > 7.875 )
     ((attr store1 < 4.219 and attr store1 > 4.159 ) and 
      (bondedto (attr store1 < 106.198054566  and attr store1 > 105.398054566 ) or 
       bondedto (attr store1 < 153.922163697  and attr store1 > 153.122163697) or 
       bondedto (attr store1 < 58.4739454343  and attr store1 > 57.6739454343 ))) 
6 0.1 0.1 peak 675 volume 8.31568 ppm1 4.189 ppm2 7.925
 
! ############### c13noe.676 folded -
assi (attr store1 < 7.328 and attr store1 > 7.228 )
     ((attr store1 < 4.22 and attr store1 > 4.16 ) and 
      (bondedto (attr store1 < 106.207054566  and attr store1 > 105.407054566 ) or 
       bondedto (attr store1 < 153.931163697  and attr store1 > 153.131163697) or 
       bondedto (attr store1 < 58.4829454343  and attr store1 > 57.6829454343 ))) 
6 0.1 0.1 peak 676 volume 8.94072 ppm1 4.190 ppm2 7.278
 
! ############### c13noe.677 folded -
assi (attr store1 < 1.559 and attr store1 > 1.459 )
     ((attr store1 < 4.214 and attr store1 > 4.154 ) and 
      (bondedto (attr store1 < 106.194054566  and attr store1 > 105.394054566 ) or 
       bondedto (attr store1 < 153.918163697  and attr store1 > 153.118163697) or 
       bondedto (attr store1 < 58.4699454343  and attr store1 > 57.6699454343 ))) 
6 0.1 0.1 peak 677 volume 52.74422 ppm1 4.184 ppm2 1.509
 
! ############### c13noe.678 folded -
assi (attr store1 < 2.508 and attr store1 > 2.408 )
     ((attr store1 < 4.206 and attr store1 > 4.146 ) and 
      (bondedto (attr store1 < 106.185054566  and attr store1 > 105.385054566 ) or 
       bondedto (attr store1 < 153.909163697  and attr store1 > 153.109163697) or 
       bondedto (attr store1 < 58.4609454343  and attr store1 > 57.6609454343 ))) 
6 0.1 0.1 peak 678 volume 9.32172 ppm1 4.176 ppm2 2.458
 
! ############### c13noe.679 folded -
assi (attr store1 < 8.085 and attr store1 > 7.985 )
     ((attr store1 < 4.035 and attr store1 > 3.975 ) and 
      (bondedto (attr store1 < 106.218054566  and attr store1 > 105.418054566 ) or 
       bondedto (attr store1 < 153.942163697  and attr store1 > 153.142163697) or 
       bondedto (attr store1 < 58.4939454343  and attr store1 > 57.6939454343 ))) 
6 0.1 0.1 peak 679 volume 24.95262 ppm1 4.005 ppm2 8.035
 
! ############### c13noe.680 folded -
assi (attr store1 < 2.262 and attr store1 > 2.162 )
     ((attr store1 < 4.035 and attr store1 > 3.975 ) and 
      (bondedto (attr store1 < 106.217054566  and attr store1 > 105.417054566 ) or 
       bondedto (attr store1 < 153.941163697  and attr store1 > 153.141163697) or 
       bondedto (attr store1 < 58.4929454343  and attr store1 > 57.6929454343 ))) 
6 0.1 0.1 peak 680 volume 21.80915 ppm1 4.005 ppm2 2.212
 
! ############### c13noe.681 folded -
assi (attr store1 < 2.132 and attr store1 > 2.032 )
     ((attr store1 < 4.032 and attr store1 > 3.972 ) and 
      (bondedto (attr store1 < 106.221054566  and attr store1 > 105.421054566 ) or 
       bondedto (attr store1 < 153.945163697  and attr store1 > 153.145163697) or 
       bondedto (attr store1 < 58.4969454343  and attr store1 > 57.6969454343 ))) 
6 0.1 0.1 peak 681 volume 37.77395 ppm1 4.002 ppm2 2.082
 
! ############### c13noe.682 folded -
assi (attr store1 < 1.933 and attr store1 > 1.833 )
     ((attr store1 < 4.033 and attr store1 > 3.973 ) and 
      (bondedto (attr store1 < 106.221054566  and attr store1 > 105.421054566 ) or 
       bondedto (attr store1 < 153.945163697  and attr store1 > 153.145163697) or 
       bondedto (attr store1 < 58.4969454343  and attr store1 > 57.6969454343 ))) 
6 0.1 0.1 peak 682 volume 45.7244 ppm1 4.003 ppm2 1.883
 
! ############### c13noe.683 folded +
assi (attr store1 < 3.913 and attr store1 > 3.813 )
     ((attr store1 < 3.802 and attr store1 > 3.742 ) and 
      (bondedto (attr store1 < 130.001109131  and attr store1 > 129.201109131 ) or 
       bondedto (attr store1 < 82.277  and attr store1 > 81.477 ) or 
       bondedto (attr store1 < 34.5528908686  and attr store1 > 33.7528908686 ))) 
6 0.1 0.1 peak 683 volume 21.83373 ppm1 3.772 ppm2 3.863
 
! ############### c13noe.684 folded +
assi (attr store1 < 3.884 and attr store1 > 3.784 )
     ((attr store1 < 3.701 and attr store1 > 3.641 ) and 
      (bondedto (attr store1 < 129.961109131  and attr store1 > 129.161109131 ) or 
       bondedto (attr store1 < 82.237  and attr store1 > 81.437 ) or 
       bondedto (attr store1 < 34.5128908686  and attr store1 > 33.7128908686 ))) 
6 0.1 0.1 peak 684 volume 16.65453 ppm1 3.671 ppm2 3.834
 
! ############### c13noe.685 folded +
assi (attr store1 < 6.884 and attr store1 > 6.784 )
     ((attr store1 < 2.5 and attr store1 > 2.44 ) and 
      (bondedto (attr store1 < 129.994109131  and attr store1 > 129.194109131 ) or 
       bondedto (attr store1 < 82.27  and attr store1 > 81.47 ) or 
       bondedto (attr store1 < 34.5458908686  and attr store1 > 33.7458908686 ))) 
6 0.1 0.1 peak 685 volume 8.06436 ppm1 2.470 ppm2 6.834
 
! ############### c13noe.686 folded +
assi (attr store1 < 4.025 and attr store1 > 3.925 )
     ((attr store1 < 2.496 and attr store1 > 2.436 ) and 
      (bondedto (attr store1 < 129.981109131  and attr store1 > 129.181109131 ) or 
       bondedto (attr store1 < 82.257  and attr store1 > 81.457 ) or 
       bondedto (attr store1 < 34.5328908686  and attr store1 > 33.7328908686 ))) 
6 0.1 0.1 peak 686 volume 8.70037 ppm1 2.466 ppm2 3.975
 
! ############### c13noe.687 folded +
assi (attr store1 < 2.525 and attr store1 > 2.425 )
     ((attr store1 < 2.257 and attr store1 > 2.197 ) and 
      (bondedto (attr store1 < 130.018109131  and attr store1 > 129.218109131 ) or 
       bondedto (attr store1 < 82.294  and attr store1 > 81.494 ) or 
       bondedto (attr store1 < 34.5698908686  and attr store1 > 33.7698908686 ))) 
6 0.1 0.1 peak 687 volume 58.41561 ppm1 2.227 ppm2 2.475
 
! ############### c13noe.688 folded -
assi (attr store1 < 1.882 and attr store1 > 1.782 )
     ((attr store1 < 4.469 and attr store1 > 4.409 ) and 
      (bondedto (attr store1 < 106.114054566  and attr store1 > 105.314054566 ) or 
       bondedto (attr store1 < 153.838163697  and attr store1 > 153.038163697) or 
       bondedto (attr store1 < 58.3899454343  and attr store1 > 57.5899454343 ))) 
6 0.1 0.1 peak 688 volume 11.03204 ppm1 4.439 ppm2 1.832
 
! ############### c13noe.689 folded -
assi (attr store1 < 8.229 and attr store1 > 8.129 )
     ((attr store1 < 4.468 and attr store1 > 4.408 ) and 
      (bondedto (attr store1 < 106.106054566  and attr store1 > 105.306054566 ) or 
       bondedto (attr store1 < 153.830163697  and attr store1 > 153.030163697) or 
       bondedto (attr store1 < 58.3819454343  and attr store1 > 57.5819454343 ))) 
6 0.1 0.1 peak 689 volume 12.43164 ppm1 4.438 ppm2 8.179
 
! ############### c13noe.690 folded -
assi (attr store1 < 7.589 and attr store1 > 7.489 )
     ((attr store1 < 4.466 and attr store1 > 4.406 ) and 
      (bondedto (attr store1 < 106.137054566  and attr store1 > 105.337054566 ) or 
       bondedto (attr store1 < 153.861163697  and attr store1 > 153.061163697) or 
       bondedto (attr store1 < 58.4129454343  and attr store1 > 57.6129454343 ))) 
6 0.1 0.1 peak 690 volume 11.11324 ppm1 4.436 ppm2 7.539
 
! ############### c13noe.691 folded -
assi (attr store1 < 2.927 and attr store1 > 2.827 )
     ((attr store1 < 4.463 and attr store1 > 4.403 ) and 
      (bondedto (attr store1 < 106.143054566  and attr store1 > 105.343054566 ) or 
       bondedto (attr store1 < 153.867163697  and attr store1 > 153.067163697) or 
       bondedto (attr store1 < 58.4189454343  and attr store1 > 57.6189454343 ))) 
6 0.1 0.1 peak 691 volume 22.55485 ppm1 4.433 ppm2 2.877
 
! ############### c13noe.692 folded -
assi (attr store1 < 2.711 and attr store1 > 2.611 )
     ((attr store1 < 4.463 and attr store1 > 4.403 ) and 
      (bondedto (attr store1 < 106.140054566  and attr store1 > 105.340054566 ) or 
       bondedto (attr store1 < 153.864163697  and attr store1 > 153.064163697) or 
       bondedto (attr store1 < 58.4159454343  and attr store1 > 57.6159454343 ))) 
6 0.1 0.1 peak 692 volume 35.69691 ppm1 4.433 ppm2 2.661
 
! ############### c13noe.693 folded -
assi (attr store1 < 1.637 and attr store1 > 1.537 )
     ((attr store1 < 4.465 and attr store1 > 4.405 ) and 
      (bondedto (attr store1 < 106.138054566  and attr store1 > 105.338054566 ) or 
       bondedto (attr store1 < 153.862163697  and attr store1 > 153.062163697) or 
       bondedto (attr store1 < 58.4139454343  and attr store1 > 57.6139454343 ))) 
6 0.1 0.1 peak 693 volume 18.2867 ppm1 4.435 ppm2 1.587
 
! ############### c13noe.694 folded -
assi (attr store1 < 2.528 and attr store1 > 2.428 )
     ((attr store1 < 4.46 and attr store1 > 4.4 ) and 
      (bondedto (attr store1 < 106.151054566  and attr store1 > 105.351054566 ) or 
       bondedto (attr store1 < 153.875163697  and attr store1 > 153.075163697) or 
       bondedto (attr store1 < 58.4269454343  and attr store1 > 57.6269454343 ))) 
6 0.1 0.1 peak 694 volume 11.87392 ppm1 4.430 ppm2 2.478
 
! ############### c13noe.695 folded -
assi (attr store1 < 0.849 and attr store1 > 0.749 )
     ((attr store1 < 4.457 and attr store1 > 4.397 ) and 
      (bondedto (attr store1 < 106.105054566  and attr store1 > 105.305054566 ) or 
       bondedto (attr store1 < 153.829163697  and attr store1 > 153.029163697) or 
       bondedto (attr store1 < 58.3809454343  and attr store1 > 57.5809454343 ))) 
6 0.1 0.1 peak 695 volume 33.25129 ppm1 4.427 ppm2 0.799
 
! ############### c13noe.696 folded -
assi (attr store1 < 2.604 and attr store1 > 2.504 )
     ((attr store1 < 4.327 and attr store1 > 4.267 ) and 
      (bondedto (attr store1 < 106.074054566  and attr store1 > 105.274054566 ) or 
       bondedto (attr store1 < 153.798163697  and attr store1 > 152.998163697) or 
       bondedto (attr store1 < 58.3499454343  and attr store1 > 57.5499454343 ))) 
6 0.1 0.1 peak 696 volume 7.68408 ppm1 4.297 ppm2 2.554
 
! ############### c13noe.697 folded -
assi (attr store1 < 7.762 and attr store1 > 7.662 )
     ((attr store1 < 4.215 and attr store1 > 4.155 ) and 
      (bondedto (attr store1 < 106.122054566  and attr store1 > 105.322054566 ) or 
       bondedto (attr store1 < 153.846163697  and attr store1 > 153.046163697) or 
       bondedto (attr store1 < 58.3979454343  and attr store1 > 57.5979454343 ))) 
6 0.1 0.1 peak 697 volume 14.46753 ppm1 4.185 ppm2 7.712
 
! ############### c13noe.698 folded -
assi (attr store1 < 1.013 and attr store1 > 0.913 )
     ((attr store1 < 4.213 and attr store1 > 4.153 ) and 
      (bondedto (attr store1 < 106.117054566  and attr store1 > 105.317054566 ) or 
       bondedto (attr store1 < 153.841163697  and attr store1 > 153.041163697) or 
       bondedto (attr store1 < 58.3929454343  and attr store1 > 57.5929454343 ))) 
6 0.1 0.1 peak 698 volume 43.38364 ppm1 4.183 ppm2 0.963
 
! ############### c13noe.699 folded -
assi (attr store1 < 0.953 and attr store1 > 0.853 )
     ((attr store1 < 4.213 and attr store1 > 4.153 ) and 
      (bondedto (attr store1 < 106.137054566  and attr store1 > 105.337054566 ) or 
       bondedto (attr store1 < 153.861163697  and attr store1 > 153.061163697) or 
       bondedto (attr store1 < 58.4129454343  and attr store1 > 57.6129454343 ))) 
6 0.1 0.1 peak 699 volume 54.0852 ppm1 4.183 ppm2 0.903
 
! ############### c13noe.700 folded -
assi (attr store1 < 2.505 and attr store1 > 2.405 )
     ((attr store1 < 4.03 and attr store1 > 3.97 ) and 
      (bondedto (attr store1 < 106.127054566  and attr store1 > 105.327054566 ) or 
       bondedto (attr store1 < 153.851163697  and attr store1 > 153.051163697) or 
       bondedto (attr store1 < 58.4029454343  and attr store1 > 57.6029454343 ))) 
6 0.1 0.1 peak 700 volume 7.40315 ppm1 4.000 ppm2 2.455
 
! ############### c13noe.701 folded -
assi (attr store1 < 1.481 and attr store1 > 1.381 )
     ((attr store1 < 1.674 and attr store1 > 1.614 ) and 
      (bondedto (attr store1 < 106.090054566  and attr store1 > 105.290054566 ) or 
       bondedto (attr store1 < 153.814163697  and attr store1 > 153.014163697) or 
       bondedto (attr store1 < 58.3659454343  and attr store1 > 57.5659454343 ))) 
6 0.1 0.1 peak 701 volume 12.52097 ppm1 1.644 ppm2 1.431
 
! ############### c13noe.702 folded -
assi (attr store1 < 1.736 and attr store1 > 1.636 )
     ((attr store1 < 1.565 and attr store1 > 1.505 ) and 
      (bondedto (attr store1 < 106.109054566  and attr store1 > 105.309054566 ) or 
       bondedto (attr store1 < 153.833163697  and attr store1 > 153.033163697) or 
       bondedto (attr store1 < 58.3849454343  and attr store1 > 57.5849454343 ))) 
6 0.1 0.1 peak 702 volume 14.91365 ppm1 1.535 ppm2 1.686
 
! ############### c13noe.703 folded -
assi (attr store1 < 1.677 and attr store1 > 1.577 )
     ((attr store1 < 1.521 and attr store1 > 1.461 ) and 
      (bondedto (attr store1 < 106.121054566  and attr store1 > 105.321054566 ) or 
       bondedto (attr store1 < 153.845163697  and attr store1 > 153.045163697) or 
       bondedto (attr store1 < 58.3969454343  and attr store1 > 57.5969454343 ))) 
6 0.1 0.1 peak 703 volume 14.95816 ppm1 1.491 ppm2 1.627
 
! ############### c13noe.704 folded -
assi (attr store1 < 1.697 and attr store1 > 1.597 )
     ((attr store1 < 1.458 and attr store1 > 1.398 ) and 
      (bondedto (attr store1 < 106.112054566  and attr store1 > 105.312054566 ) or 
       bondedto (attr store1 < 153.836163697  and attr store1 > 153.036163697) or 
       bondedto (attr store1 < 58.3879454343  and attr store1 > 57.5879454343 ))) 
6 0.1 0.1 peak 704 volume 13.04607 ppm1 1.428 ppm2 1.647
 
! ############### c13noe.705 folded +
assi (attr store1 < 3.812 and attr store1 > 3.712 )
     ((attr store1 < 3.889 and attr store1 > 3.829 ) and 
      (bondedto (attr store1 < 129.920109131  and attr store1 > 129.120109131 ) or 
       bondedto (attr store1 < 82.196  and attr store1 > 81.396 ) or 
       bondedto (attr store1 < 34.4718908686  and attr store1 > 33.6718908686 ))) 
6 0.1 0.1 peak 705 volume 19.91664 ppm1 3.859 ppm2 3.762
 
! ############### c13noe.706 folded +
assi (attr store1 < 3.961 and attr store1 > 3.861 )
     ((attr store1 < 3.867 and attr store1 > 3.807 ) and 
      (bondedto (attr store1 < 129.904109131  and attr store1 > 129.104109131 ) or 
       bondedto (attr store1 < 82.18  and attr store1 > 81.38 ) or 
       bondedto (attr store1 < 34.4558908686  and attr store1 > 33.6558908686 ))) 
6 0.1 0.1 peak 706 volume 11.83082 ppm1 3.837 ppm2 3.911
 
! ############### c13noe.707 folded +
assi (attr store1 < 3.723 and attr store1 > 3.623 )
     ((attr store1 < 3.866 and attr store1 > 3.806 ) and 
      (bondedto (attr store1 < 129.916109131  and attr store1 > 129.116109131 ) or 
       bondedto (attr store1 < 82.192  and attr store1 > 81.392 ) or 
       bondedto (attr store1 < 34.4678908686  and attr store1 > 33.6678908686 ))) 
6 0.1 0.1 peak 707 volume 14.48148 ppm1 3.836 ppm2 3.673
 
! ############### c13noe.708 folded +
assi (attr store1 < 8.24 and attr store1 > 8.14 )
     ((attr store1 < 2.583 and attr store1 > 2.523 ) and 
      (bondedto (attr store1 < 129.891109131  and attr store1 > 129.091109131 ) or 
       bondedto (attr store1 < 82.167  and attr store1 > 81.367 ) or 
       bondedto (attr store1 < 34.4428908686  and attr store1 > 33.6428908686 ))) 
6 0.1 0.1 peak 708 volume 44.75105 ppm1 2.553 ppm2 8.190
 
! ############### c13noe.709 folded +
assi (attr store1 < 7.863 and attr store1 > 7.763 )
     ((attr store1 < 2.582 and attr store1 > 2.522 ) and 
      (bondedto (attr store1 < 129.909109131  and attr store1 > 129.109109131 ) or 
       bondedto (attr store1 < 82.185  and attr store1 > 81.385 ) or 
       bondedto (attr store1 < 34.4608908686  and attr store1 > 33.6608908686 ))) 
6 0.1 0.1 peak 709 volume 10.39368 ppm1 2.552 ppm2 7.813
 
! ############### c13noe.710 folded +
assi (attr store1 < 7.582 and attr store1 > 7.482 )
     ((attr store1 < 2.58 and attr store1 > 2.52 ) and 
      (bondedto (attr store1 < 129.892109131  and attr store1 > 129.092109131 ) or 
       bondedto (attr store1 < 82.168  and attr store1 > 81.368 ) or 
       bondedto (attr store1 < 34.4438908686  and attr store1 > 33.6438908686 ))) 
6 0.1 0.1 peak 710 volume 20.62573 ppm1 2.550 ppm2 7.532
 
! ############### c13noe.711 folded +
assi (attr store1 < 7.481 and attr store1 > 7.381 )
     ((attr store1 < 2.581 and attr store1 > 2.521 ) and 
      (bondedto (attr store1 < 129.904109131  and attr store1 > 129.104109131 ) or 
       bondedto (attr store1 < 82.18  and attr store1 > 81.38 ) or 
       bondedto (attr store1 < 34.4558908686  and attr store1 > 33.6558908686 ))) 
6 0.1 0.1 peak 711 volume 11.42949 ppm1 2.551 ppm2 7.431
 
! ############### c13noe.712 folded +
assi (attr store1 < 7.436 and attr store1 > 7.336 )
     ((attr store1 < 2.58 and attr store1 > 2.52 ) and 
      (bondedto (attr store1 < 129.878109131  and attr store1 > 129.078109131 ) or 
       bondedto (attr store1 < 82.154  and attr store1 > 81.354 ) or 
       bondedto (attr store1 < 34.4298908686  and attr store1 > 33.6298908686 ))) 
6 0.1 0.1 peak 712 volume 10.76335 ppm1 2.550 ppm2 7.386
 
! ############### c13noe.713 folded +
assi (attr store1 < 7.12 and attr store1 > 7.02 )
     ((attr store1 < 2.581 and attr store1 > 2.521 ) and 
      (bondedto (attr store1 < 129.893109131  and attr store1 > 129.093109131 ) or 
       bondedto (attr store1 < 82.169  and attr store1 > 81.369 ) or 
       bondedto (attr store1 < 34.4448908686  and attr store1 > 33.6448908686 ))) 
6 0.1 0.1 peak 713 volume 13.42819 ppm1 2.551 ppm2 7.070
 
! ############### c13noe.714 folded +
assi (attr store1 < 4.481 and attr store1 > 4.381 )
     ((attr store1 < 2.582 and attr store1 > 2.522 ) and 
      (bondedto (attr store1 < 129.894109131  and attr store1 > 129.094109131 ) or 
       bondedto (attr store1 < 82.17  and attr store1 > 81.37 ) or 
       bondedto (attr store1 < 34.4458908686  and attr store1 > 33.6458908686 ))) 
6 0.1 0.1 peak 714 volume 11.13039 ppm1 2.552 ppm2 4.431
 
! ############### c13noe.715 folded +
assi (attr store1 < 4.328 and attr store1 > 4.228 )
     ((attr store1 < 2.58 and attr store1 > 2.52 ) and 
      (bondedto (attr store1 < 129.885109131  and attr store1 > 129.085109131 ) or 
       bondedto (attr store1 < 82.161  and attr store1 > 81.361 ) or 
       bondedto (attr store1 < 34.4368908686  and attr store1 > 33.6368908686 ))) 
6 0.1 0.1 peak 715 volume 7.60187 ppm1 2.550 ppm2 4.278
 
! ############### c13noe.716 folded +
assi (attr store1 < 4.164 and attr store1 > 4.064 )
     ((attr store1 < 2.58 and attr store1 > 2.52 ) and 
      (bondedto (attr store1 < 129.903109131  and attr store1 > 129.103109131 ) or 
       bondedto (attr store1 < 82.179  and attr store1 > 81.379 ) or 
       bondedto (attr store1 < 34.4548908686  and attr store1 > 33.6548908686 ))) 
6 0.1 0.1 peak 716 volume 54.47247 ppm1 2.550 ppm2 4.114
 
! ############### c13noe.717 folded +
assi (attr store1 < 1.774 and attr store1 > 1.674 )
     ((attr store1 < 2.583 and attr store1 > 2.523 ) and 
      (bondedto (attr store1 < 129.902109131  and attr store1 > 129.102109131 ) or 
       bondedto (attr store1 < 82.178  and attr store1 > 81.378 ) or 
       bondedto (attr store1 < 34.4538908686  and attr store1 > 33.6538908686 ))) 
6 0.1 0.1 peak 717 volume 14.63836 ppm1 2.553 ppm2 1.724
 
! ############### c13noe.718 folded +
assi (attr store1 < 2.602 and attr store1 > 2.502 )
     ((attr store1 < 2.295 and attr store1 > 2.235 ) and 
      (bondedto (attr store1 < 129.891109131  and attr store1 > 129.091109131 ) or 
       bondedto (attr store1 < 82.167  and attr store1 > 81.367 ) or 
       bondedto (attr store1 < 34.4428908686  and attr store1 > 33.6428908686 ))) 
6 0.1 0.1 peak 718 volume 21.70873 ppm1 2.265 ppm2 2.552
 
! ############### c13noe.719 folded +
assi (attr store1 < 2.596 and attr store1 > 2.496 )
     ((attr store1 < 2.232 and attr store1 > 2.172 ) and 
      (bondedto (attr store1 < 129.878109131  and attr store1 > 129.078109131 ) or 
       bondedto (attr store1 < 82.154  and attr store1 > 81.354 ) or 
       bondedto (attr store1 < 34.4298908686  and attr store1 > 33.6298908686 ))) 
6 0.1 0.1 peak 719 volume 30.25974 ppm1 2.202 ppm2 2.546
 
! ############### c13noe.720 folded -
assi (attr store1 < 1.105 and attr store1 > 1.005 )
     ((attr store1 < 4.216 and attr store1 > 4.156 ) and 
      (bondedto (attr store1 < 105.993054566  and attr store1 > 105.193054566 ) or 
       bondedto (attr store1 < 153.717163697  and attr store1 > 152.917163697) or 
       bondedto (attr store1 < 58.2689454343  and attr store1 > 57.4689454343 ))) 
6 0.1 0.1 peak 720 volume 29.40771 ppm1 4.186 ppm2 1.055
 
! ############### c13noe.721 folded -
assi (attr store1 < 7.814 and attr store1 > 7.714 )
     ((attr store1 < 4.195 and attr store1 > 4.135 ) and 
      (bondedto (attr store1 < 106.052054566  and attr store1 > 105.252054566 ) or 
       bondedto (attr store1 < 153.776163697  and attr store1 > 152.976163697) or 
       bondedto (attr store1 < 58.3279454343  and attr store1 > 57.5279454343 ))) 
6 0.1 0.1 peak 721 volume 10.7241 ppm1 4.165 ppm2 7.764
 
! ############### c13noe.722 folded -
assi (attr store1 < 7.83 and attr store1 > 7.73 )
     ((attr store1 < 4.179 and attr store1 > 4.119 ) and 
      (bondedto (attr store1 < 106.007054566  and attr store1 > 105.207054566 ) or 
       bondedto (attr store1 < 153.731163697  and attr store1 > 152.931163697) or 
       bondedto (attr store1 < 58.2829454343  and attr store1 > 57.4829454343 ))) 
6 0.1 0.1 peak 722 volume 14.06185 ppm1 4.149 ppm2 7.780
 
! ############### c13noe.723 folded -
assi (attr store1 < 7.813 and attr store1 > 7.713 )
     ((attr store1 < 4.159 and attr store1 > 4.099 ) and 
      (bondedto (attr store1 < 105.978054566  and attr store1 > 105.178054566 ) or 
       bondedto (attr store1 < 153.702163697  and attr store1 > 152.902163697) or 
       bondedto (attr store1 < 58.2539454343  and attr store1 > 57.4539454343 ))) 
6 0.1 0.1 peak 723 volume 17.11799 ppm1 4.129 ppm2 7.763
 
! ############### c13noe.724 folded -
assi (attr store1 < 7.32 and attr store1 > 7.22 )
     ((attr store1 < 4.158 and attr store1 > 4.098 ) and 
      (bondedto (attr store1 < 106.022054566  and attr store1 > 105.222054566 ) or 
       bondedto (attr store1 < 153.746163697  and attr store1 > 152.946163697) or 
       bondedto (attr store1 < 58.2979454343  and attr store1 > 57.4979454343 ))) 
6 0.1 0.1 peak 724 volume 7.3565 ppm1 4.128 ppm2 7.270
 
! ############### c13noe.725 folded -
assi (attr store1 < 1.602 and attr store1 > 1.502 )
     ((attr store1 < 4.153 and attr store1 > 4.093 ) and 
      (bondedto (attr store1 < 105.984054566  and attr store1 > 105.184054566 ) or 
       bondedto (attr store1 < 153.708163697  and attr store1 > 152.908163697) or 
       bondedto (attr store1 < 58.2599454343  and attr store1 > 57.4599454343 ))) 
6 0.1 0.1 peak 725 volume 25.90603 ppm1 4.123 ppm2 1.552
 
! ############### c13noe.726 folded +
assi (attr store1 < 2.232 and attr store1 > 2.132 )
     ((attr store1 < 2.788 and attr store1 > 2.728 ) and 
      (bondedto (attr store1 < 129.799109131  and attr store1 > 128.999109131 ) or 
       bondedto (attr store1 < 82.075  and attr store1 > 81.275 ) or 
       bondedto (attr store1 < 34.3508908686  and attr store1 > 33.5508908686 ))) 
6 0.1 0.1 peak 726 volume 10.92221 ppm1 2.758 ppm2 2.182
 
! ############### c13noe.727 folded +
assi (attr store1 < 2.169 and attr store1 > 2.069 )
     ((attr store1 < 2.79 and attr store1 > 2.73 ) and 
      (bondedto (attr store1 < 129.805109131  and attr store1 > 129.005109131 ) or 
       bondedto (attr store1 < 82.081  and attr store1 > 81.281 ) or 
       bondedto (attr store1 < 34.3568908686  and attr store1 > 33.5568908686 ))) 
6 0.1 0.1 peak 727 volume 10.56587 ppm1 2.760 ppm2 2.119
 
! ############### c13noe.728 folded +
assi (attr store1 < 1.244 and attr store1 > 1.144 )
     ((attr store1 < 1.496 and attr store1 > 1.436 ) and 
      (bondedto (attr store1 < 129.779109131  and attr store1 > 128.979109131 ) or 
       bondedto (attr store1 < 82.055  and attr store1 > 81.255 ) or 
       bondedto (attr store1 < 34.3308908686  and attr store1 > 33.5308908686 ))) 
6 0.1 0.1 peak 728 volume 10.40984 ppm1 1.466 ppm2 1.194
 
! ############### c13noe.729 folded +
assi (attr store1 < 1.233 and attr store1 > 1.133 )
     ((attr store1 < 1.478 and attr store1 > 1.418 ) and 
      (bondedto (attr store1 < 129.790109131  and attr store1 > 128.990109131 ) or 
       bondedto (attr store1 < 82.066  and attr store1 > 81.266 ) or 
       bondedto (attr store1 < 34.3418908686  and attr store1 > 33.5418908686 ))) 
6 0.1 0.1 peak 729 volume 8.59514 ppm1 1.448 ppm2 1.183
 
! ############### c13noe.730 folded +
assi (attr store1 < 0.924 and attr store1 > 0.824 )
     ((attr store1 < 1.225 and attr store1 > 1.165 ) and 
      (bondedto (attr store1 < 129.801109131  and attr store1 > 129.001109131 ) or 
       bondedto (attr store1 < 82.077  and attr store1 > 81.277 ) or 
       bondedto (attr store1 < 34.3528908686  and attr store1 > 33.5528908686 ))) 
6 0.1 0.1 peak 730 volume 12.30608 ppm1 1.195 ppm2 0.874
 
! ############### c13noe.731 folded +
assi (attr store1 < 1.506 and attr store1 > 1.406 )
     ((attr store1 < 1.216 and attr store1 > 1.156 ) and 
      (bondedto (attr store1 < 129.803109131  and attr store1 > 129.003109131 ) or 
       bondedto (attr store1 < 82.079  and attr store1 > 81.279 ) or 
       bondedto (attr store1 < 34.3548908686  and attr store1 > 33.5548908686 ))) 
6 0.1 0.1 peak 731 volume 13.65663 ppm1 1.186 ppm2 1.456
 
! ############### c13noe.732 folded +
assi (attr store1 < 0.926 and attr store1 > 0.826 )
     ((attr store1 < 0.585 and attr store1 > 0.525 ) and 
      (bondedto (attr store1 < 129.833109131  and attr store1 > 129.033109131 ) or 
       bondedto (attr store1 < 82.109  and attr store1 > 81.309 ) or 
       bondedto (attr store1 < 34.3848908686  and attr store1 > 33.5848908686 ))) 
6 0.1 0.1 peak 732 volume 8.87478 ppm1 0.555 ppm2 0.876
 
! ############### c13noe.733 folded -
assi (attr store1 < 1.545 and attr store1 > 1.445 )
     ((attr store1 < 4.38 and attr store1 > 4.32 ) and 
      (bondedto (attr store1 < 105.882054566  and attr store1 > 105.082054566 ) or 
       bondedto (attr store1 < 153.606163697  and attr store1 > 152.806163697) or 
       bondedto (attr store1 < 58.1579454343  and attr store1 > 57.3579454343 ))) 
6 0.1 0.1 peak 733 volume 19.69239 ppm1 4.350 ppm2 1.495
 
! ############### c13noe.734 folded -
assi (attr store1 < 7.975 and attr store1 > 7.875 )
     ((attr store1 < 4.379 and attr store1 > 4.319 ) and 
      (bondedto (attr store1 < 105.898054566  and attr store1 > 105.098054566 ) or 
       bondedto (attr store1 < 153.622163697  and attr store1 > 152.822163697) or 
       bondedto (attr store1 < 58.1739454343  and attr store1 > 57.3739454343 ))) 
6 0.1 0.1 peak 734 volume 8.04302 ppm1 4.349 ppm2 7.925
 
! ############### c13noe.735 folded -
assi (attr store1 < 7.855 and attr store1 > 7.755 )
     ((attr store1 < 4.378 and attr store1 > 4.318 ) and 
      (bondedto (attr store1 < 105.949054566  and attr store1 > 105.149054566 ) or 
       bondedto (attr store1 < 153.673163697  and attr store1 > 152.873163697) or 
       bondedto (attr store1 < 58.2249454343  and attr store1 > 57.4249454343 ))) 
6 0.1 0.1 peak 735 volume 12.24827 ppm1 4.348 ppm2 7.805
 
! ############### c13noe.736 folded -
assi (attr store1 < 2.064 and attr store1 > 1.964 )
     ((attr store1 < 4.321 and attr store1 > 4.261 ) and 
      (bondedto (attr store1 < 105.913054566  and attr store1 > 105.113054566 ) or 
       bondedto (attr store1 < 153.637163697  and attr store1 > 152.837163697) or 
       bondedto (attr store1 < 58.1889454343  and attr store1 > 57.3889454343 ))) 
6 0.1 0.1 peak 736 volume 15.13352 ppm1 4.291 ppm2 2.014
 
! ############### c13noe.737 folded -
assi (attr store1 < 2.5 and attr store1 > 2.4 )
     ((attr store1 < 4.318 and attr store1 > 4.258 ) and 
      (bondedto (attr store1 < 105.887054566  and attr store1 > 105.087054566 ) or 
       bondedto (attr store1 < 153.611163697  and attr store1 > 152.811163697) or 
       bondedto (attr store1 < 58.1629454343  and attr store1 > 57.3629454343 ))) 
6 0.1 0.1 peak 737 volume 32.09158 ppm1 4.288 ppm2 2.450
 
! ############### c13noe.738 folded -
assi (attr store1 < 8.575 and attr store1 > 8.475 )
     ((attr store1 < 4.211 and attr store1 > 4.151 ) and 
      (bondedto (attr store1 < 105.882054566  and attr store1 > 105.082054566 ) or 
       bondedto (attr store1 < 153.606163697  and attr store1 > 152.806163697) or 
       bondedto (attr store1 < 58.1579454343  and attr store1 > 57.3579454343 ))) 
6 0.1 0.1 peak 738 volume 10.59551 ppm1 4.181 ppm2 8.525
 
! ############### c13noe.739 folded -
assi (attr store1 < 2.404 and attr store1 > 2.304 )
     ((attr store1 < 4.208 and attr store1 > 4.148 ) and 
      (bondedto (attr store1 < 105.884054566  and attr store1 > 105.084054566 ) or 
       bondedto (attr store1 < 153.608163697  and attr store1 > 152.808163697) or 
       bondedto (attr store1 < 58.1599454343  and attr store1 > 57.3599454343 ))) 
6 0.1 0.1 peak 739 volume 10.17311 ppm1 4.178 ppm2 2.354
 
! ############### c13noe.740 folded -
assi (attr store1 < 8.369 and attr store1 > 8.269 )
     ((attr store1 < 4.174 and attr store1 > 4.114 ) and 
      (bondedto (attr store1 < 105.939054566  and attr store1 > 105.139054566 ) or 
       bondedto (attr store1 < 153.663163697  and attr store1 > 152.863163697) or 
       bondedto (attr store1 < 58.2149454343  and attr store1 > 57.4149454343 ))) 
6 0.1 0.1 peak 740 volume 8.23822 ppm1 4.144 ppm2 8.319
 
! ############### c13noe.741 folded -
assi (attr store1 < 1.724 and attr store1 > 1.624 )
     ((attr store1 < 4.164 and attr store1 > 4.104 ) and 
      (bondedto (attr store1 < 105.939054566  and attr store1 > 105.139054566 ) or 
       bondedto (attr store1 < 153.663163697  and attr store1 > 152.863163697) or 
       bondedto (attr store1 < 58.2149454343  and attr store1 > 57.4149454343 ))) 
6 0.1 0.1 peak 741 volume 47.59609 ppm1 4.134 ppm2 1.674
 
! ############### c13noe.742 folded -
assi (attr store1 < 1.904 and attr store1 > 1.804 )
     ((attr store1 < 4.157 and attr store1 > 4.097 ) and 
      (bondedto (attr store1 < 105.943054566  and attr store1 > 105.143054566 ) or 
       bondedto (attr store1 < 153.667163697  and attr store1 > 152.867163697) or 
       bondedto (attr store1 < 58.2189454343  and attr store1 > 57.4189454343 ))) 
6 0.1 0.1 peak 742 volume 40.73931 ppm1 4.127 ppm2 1.854
 
! ############### c13noe.743 folded -
assi (attr store1 < 8.63 and attr store1 > 8.53 )
     ((attr store1 < 4.151 and attr store1 > 4.091 ) and 
      (bondedto (attr store1 < 105.933054566  and attr store1 > 105.133054566 ) or 
       bondedto (attr store1 < 153.657163697  and attr store1 > 152.857163697) or 
       bondedto (attr store1 < 58.2089454343  and attr store1 > 57.4089454343 ))) 
6 0.1 0.1 peak 743 volume 11.56466 ppm1 4.121 ppm2 8.580
 
! ############### c13noe.744 folded -
assi (attr store1 < 8.858 and attr store1 > 8.758 )
     ((attr store1 < 4.146 and attr store1 > 4.086 ) and 
      (bondedto (attr store1 < 105.956054566  and attr store1 > 105.156054566 ) or 
       bondedto (attr store1 < 153.680163697  and attr store1 > 152.880163697) or 
       bondedto (attr store1 < 58.2319454343  and attr store1 > 57.4319454343 ))) 
6 0.1 0.1 peak 744 volume 10.93183 ppm1 4.116 ppm2 8.808
 
! ############### c13noe.745 folded -
assi (attr store1 < 2.14 and attr store1 > 2.04 )
     ((attr store1 < 4.147 and attr store1 > 4.087 ) and 
      (bondedto (attr store1 < 105.939054566  and attr store1 > 105.139054566 ) or 
       bondedto (attr store1 < 153.663163697  and attr store1 > 152.863163697) or 
       bondedto (attr store1 < 58.2149454343  and attr store1 > 57.4149454343 ))) 
6 0.1 0.1 peak 745 volume 15.81279 ppm1 4.117 ppm2 2.090
 
! ############### c13noe.746 folded -
assi (attr store1 < 1.094 and attr store1 > 0.994 )
     ((attr store1 < 4.148 and attr store1 > 4.088 ) and 
      (bondedto (attr store1 < 105.953054566  and attr store1 > 105.153054566 ) or 
       bondedto (attr store1 < 153.677163697  and attr store1 > 152.877163697) or 
       bondedto (attr store1 < 58.2289454343  and attr store1 > 57.4289454343 ))) 
6 0.1 0.1 peak 746 volume 14.8694 ppm1 4.118 ppm2 1.044
 
! ############### c13noe.747 folded -
assi (attr store1 < 0.95 and attr store1 > 0.85 )
     ((attr store1 < 4.148 and attr store1 > 4.088 ) and 
      (bondedto (attr store1 < 105.956054566  and attr store1 > 105.156054566 ) or 
       bondedto (attr store1 < 153.680163697  and attr store1 > 152.880163697) or 
       bondedto (attr store1 < 58.2319454343  and attr store1 > 57.4319454343 ))) 
6 0.1 0.1 peak 747 volume 70.14761 ppm1 4.118 ppm2 0.900
 
! ############### c13noe.748 folded -
assi (attr store1 < 0.926 and attr store1 > 0.826 )
     ((attr store1 < 4.141 and attr store1 > 4.081 ) and 
      (bondedto (attr store1 < 105.966054566  and attr store1 > 105.166054566 ) or 
       bondedto (attr store1 < 153.690163697  and attr store1 > 152.890163697) or 
       bondedto (attr store1 < 58.2419454343  and attr store1 > 57.4419454343 ))) 
6 0.1 0.1 peak 748 volume 66.79327 ppm1 4.111 ppm2 0.876
 
! ############### c13noe.749 folded -
assi (attr store1 < 0.926 and attr store1 > 0.826 )
     ((attr store1 < 4.116 and attr store1 > 4.056 ) and 
      (bondedto (attr store1 < 105.942054566  and attr store1 > 105.142054566 ) or 
       bondedto (attr store1 < 153.666163697  and attr store1 > 152.866163697) or 
       bondedto (attr store1 < 58.2179454343  and attr store1 > 57.4179454343 ))) 
6 0.1 0.1 peak 749 volume 52.31231 ppm1 4.086 ppm2 0.876
 
! ############### c13noe.750 folded -
assi (attr store1 < 8.065 and attr store1 > 7.965 )
     ((attr store1 < 4.105 and attr store1 > 4.045 ) and 
      (bondedto (attr store1 < 105.909054566  and attr store1 > 105.109054566 ) or 
       bondedto (attr store1 < 153.633163697  and attr store1 > 152.833163697) or 
       bondedto (attr store1 < 58.1849454343  and attr store1 > 57.3849454343 ))) 
6 0.1 0.1 peak 750 volume 9.39596 ppm1 4.075 ppm2 8.015
 
! ############### c13noe.751 folded -
assi (attr store1 < 2.122 and attr store1 > 2.022 )
     ((attr store1 < 4.105 and attr store1 > 4.045 ) and 
      (bondedto (attr store1 < 105.916054566  and attr store1 > 105.116054566 ) or 
       bondedto (attr store1 < 153.640163697  and attr store1 > 152.840163697) or 
       bondedto (attr store1 < 58.1919454343  and attr store1 > 57.3919454343 ))) 
6 0.1 0.1 peak 751 volume 11.94151 ppm1 4.075 ppm2 2.072
 
! ############### c13noe.752 folded -
assi (attr store1 < 1.512 and attr store1 > 1.412 )
     ((attr store1 < 4.1 and attr store1 > 4.04 ) and 
      (bondedto (attr store1 < 105.903054566  and attr store1 > 105.103054566 ) or 
       bondedto (attr store1 < 153.627163697  and attr store1 > 152.827163697) or 
       bondedto (attr store1 < 58.1789454343  and attr store1 > 57.3789454343 ))) 
6 0.1 0.1 peak 752 volume 17.03985 ppm1 4.070 ppm2 1.462
 
! ############### c13noe.753 folded -
assi (attr store1 < 1.099 and attr store1 > 0.999 )
     ((attr store1 < 4.103 and attr store1 > 4.043 ) and 
      (bondedto (attr store1 < 105.944054566  and attr store1 > 105.144054566 ) or 
       bondedto (attr store1 < 153.668163697  and attr store1 > 152.868163697) or 
       bondedto (attr store1 < 58.2199454343  and attr store1 > 57.4199454343 ))) 
6 0.1 0.1 peak 753 volume 15.81219 ppm1 4.073 ppm2 1.049
 
! ############### c13noe.754 folded -
assi (attr store1 < 8.505 and attr store1 > 8.405 )
     ((attr store1 < 4.097 and attr store1 > 4.037 ) and 
      (bondedto (attr store1 < 105.911054566  and attr store1 > 105.111054566 ) or 
       bondedto (attr store1 < 153.635163697  and attr store1 > 152.835163697) or 
       bondedto (attr store1 < 58.1869454343  and attr store1 > 57.3869454343 ))) 
6 0.1 0.1 peak 754 volume 8.71724 ppm1 4.067 ppm2 8.455
 
! ############### c13noe.755 folded -
assi (attr store1 < 2.497 and attr store1 > 2.397 )
     ((attr store1 < 4.1 and attr store1 > 4.04 ) and 
      (bondedto (attr store1 < 105.938054566  and attr store1 > 105.138054566 ) or 
       bondedto (attr store1 < 153.662163697  and attr store1 > 152.862163697) or 
       bondedto (attr store1 < 58.2139454343  and attr store1 > 57.4139454343 ))) 
6 0.1 0.1 peak 755 volume 9.88053 ppm1 4.070 ppm2 2.447
 
! ############### c13noe.756 folded -
assi (attr store1 < 1.537 and attr store1 > 1.437 )
     ((attr store1 < 0.994 and attr store1 > 0.934 ) and 
      (bondedto (attr store1 < 105.910054566  and attr store1 > 105.110054566 ) or 
       bondedto (attr store1 < 153.634163697  and attr store1 > 152.834163697) or 
       bondedto (attr store1 < 58.1859454343  and attr store1 > 57.3859454343 ))) 
6 0.1 0.1 peak 756 volume 10.39688 ppm1 0.964 ppm2 1.487
 
! ############### c13noe.757 folded -
assi (attr store1 < 1.597 and attr store1 > 1.497 )
     ((attr store1 < 0.922 and attr store1 > 0.862 ) and 
      (bondedto (attr store1 < 105.941054566  and attr store1 > 105.141054566 ) or 
       bondedto (attr store1 < 153.665163697  and attr store1 > 152.865163697) or 
       bondedto (attr store1 < 58.2169454343  and attr store1 > 57.4169454343 ))) 
6 0.1 0.1 peak 757 volume 6.90853 ppm1 0.892 ppm2 1.547
 
! ############### c13noe.758 folded -
assi (attr store1 < 2.133 and attr store1 > 2.033 )
     ((attr store1 < 0.894 and attr store1 > 0.834 ) and 
      (bondedto (attr store1 < 105.900054566  and attr store1 > 105.100054566 ) or 
       bondedto (attr store1 < 153.624163697  and attr store1 > 152.824163697) or 
       bondedto (attr store1 < 58.1759454343  and attr store1 > 57.3759454343 ))) 
6 0.1 0.1 peak 758 volume 8.51645 ppm1 0.864 ppm2 2.083
 
! ############### c13noe.759 folded -
assi (attr store1 < 1.147 and attr store1 > 1.047 )
     ((attr store1 < 0.819 and attr store1 > 0.759 ) and 
      (bondedto (attr store1 < 105.886054566  and attr store1 > 105.086054566 ) or 
       bondedto (attr store1 < 153.610163697  and attr store1 > 152.810163697) or 
       bondedto (attr store1 < 58.1619454343  and attr store1 > 57.3619454343 ))) 
6 0.1 0.1 peak 759 volume 7.75731 ppm1 0.789 ppm2 1.097
 
! ############### c13noe.760 folded +
assi (attr store1 < 2.806 and attr store1 > 2.706 )
     ((attr store1 < 2.207 and attr store1 > 2.147 ) and 
      (bondedto (attr store1 < 129.716109131  and attr store1 > 128.916109131 ) or 
       bondedto (attr store1 < 81.992  and attr store1 > 81.192 ) or 
       bondedto (attr store1 < 34.2678908686  and attr store1 > 33.4678908686 ))) 
6 0.1 0.1 peak 760 volume 11.55558 ppm1 2.177 ppm2 2.756
 
! ############### c13noe.761 folded -
assi (attr store1 < 1.753 and attr store1 > 1.653 )
     ((attr store1 < 4.383 and attr store1 > 4.323 ) and 
      (bondedto (attr store1 < 105.871054566  and attr store1 > 105.071054566 ) or 
       bondedto (attr store1 < 153.595163697  and attr store1 > 152.795163697) or 
       bondedto (attr store1 < 58.1469454343  and attr store1 > 57.3469454343 ))) 
6 0.1 0.1 peak 761 volume 23.8747 ppm1 4.353 ppm2 1.703
 
! ############### c13noe.762 folded -
assi (attr store1 < 2.013 and attr store1 > 1.913 )
     ((attr store1 < 4.374 and attr store1 > 4.314 ) and 
      (bondedto (attr store1 < 105.849054566  and attr store1 > 105.049054566 ) or 
       bondedto (attr store1 < 153.573163697  and attr store1 > 152.773163697) or 
       bondedto (attr store1 < 58.1249454343  and attr store1 > 57.3249454343 ))) 
6 0.1 0.1 peak 762 volume 25.85061 ppm1 4.344 ppm2 1.963
 
! ############### c13noe.763 folded -
assi (attr store1 < 2.808 and attr store1 > 2.708 )
     ((attr store1 < 4.316 and attr store1 > 4.256 ) and 
      (bondedto (attr store1 < 105.852054566  and attr store1 > 105.052054566 ) or 
       bondedto (attr store1 < 153.576163697  and attr store1 > 152.776163697) or 
       bondedto (attr store1 < 58.1279454343  and attr store1 > 57.3279454343 ))) 
6 0.1 0.1 peak 763 volume 21.82141 ppm1 4.286 ppm2 2.758
 
! ############### c13noe.764 folded -
assi (attr store1 < 2.713 and attr store1 > 2.613 )
     ((attr store1 < 4.316 and attr store1 > 4.256 ) and 
      (bondedto (attr store1 < 105.845054566  and attr store1 > 105.045054566 ) or 
       bondedto (attr store1 < 153.569163697  and attr store1 > 152.769163697) or 
       bondedto (attr store1 < 58.1209454343  and attr store1 > 57.3209454343 ))) 
6 0.1 0.1 peak 764 volume 26.10944 ppm1 4.286 ppm2 2.663
 
! ############### c13noe.765 folded -
assi (attr store1 < 7.941 and attr store1 > 7.841 )
     ((attr store1 < 4.312 and attr store1 > 4.252 ) and 
      (bondedto (attr store1 < 105.859054566  and attr store1 > 105.059054566 ) or 
       bondedto (attr store1 < 153.583163697  and attr store1 > 152.783163697) or 
       bondedto (attr store1 < 58.1349454343  and attr store1 > 57.3349454343 ))) 
6 0.1 0.1 peak 765 volume 22.26074 ppm1 4.282 ppm2 7.891
 
! ############### c13noe.766 folded -
assi (attr store1 < 7.876 and attr store1 > 7.776 )
     ((attr store1 < 4.314 and attr store1 > 4.254 ) and 
      (bondedto (attr store1 < 105.862054566  and attr store1 > 105.062054566 ) or 
       bondedto (attr store1 < 153.586163697  and attr store1 > 152.786163697) or 
       bondedto (attr store1 < 58.1379454343  and attr store1 > 57.3379454343 ))) 
6 0.1 0.1 peak 766 volume 40.67583 ppm1 4.284 ppm2 7.826
 
! ############### c13noe.767 folded -
assi (attr store1 < 2.222 and attr store1 > 2.122 )
     ((attr store1 < 4.314 and attr store1 > 4.254 ) and 
      (bondedto (attr store1 < 105.854054566  and attr store1 > 105.054054566 ) or 
       bondedto (attr store1 < 153.578163697  and attr store1 > 152.778163697) or 
       bondedto (attr store1 < 58.1299454343  and attr store1 > 57.3299454343 ))) 
6 0.1 0.1 peak 767 volume 45.80232 ppm1 4.284 ppm2 2.172
 
! ############### c13noe.768 folded -
assi (attr store1 < 2.154 and attr store1 > 2.054 )
     ((attr store1 < 4.313 and attr store1 > 4.253 ) and 
      (bondedto (attr store1 < 105.848054566  and attr store1 > 105.048054566 ) or 
       bondedto (attr store1 < 153.572163697  and attr store1 > 152.772163697) or 
       bondedto (attr store1 < 58.1239454343  and attr store1 > 57.3239454343 ))) 
6 0.1 0.1 peak 768 volume 25.87657 ppm1 4.283 ppm2 2.104
 
! ############### c13noe.769 folded -
assi (attr store1 < 0.997 and attr store1 > 0.897 )
     ((attr store1 < 4.31 and attr store1 > 4.25 ) and 
      (bondedto (attr store1 < 105.852054566  and attr store1 > 105.052054566 ) or 
       bondedto (attr store1 < 153.576163697  and attr store1 > 152.776163697) or 
       bondedto (attr store1 < 58.1279454343  and attr store1 > 57.3279454343 ))) 
6 0.1 0.1 peak 769 volume 12.07909 ppm1 4.280 ppm2 0.947
 
! ############### c13noe.770 folded -
assi (attr store1 < 2.084 and attr store1 > 1.984 )
     ((attr store1 < 4.163 and attr store1 > 4.103 ) and 
      (bondedto (attr store1 < 105.836054566  and attr store1 > 105.036054566 ) or 
       bondedto (attr store1 < 153.560163697  and attr store1 > 152.760163697) or 
       bondedto (attr store1 < 58.1119454343  and attr store1 > 57.3119454343 ))) 
6 0.1 0.1 peak 770 volume 18.83513 ppm1 4.133 ppm2 2.034
 
! ############### c13noe.771 folded +
assi (attr store1 < 2.076 and attr store1 > 1.976 )
     ((attr store1 < 2.473 and attr store1 > 2.413 ) and 
      (bondedto (attr store1 < 129.632109131  and attr store1 > 128.832109131 ) or 
       bondedto (attr store1 < 81.908  and attr store1 > 81.108 ) or 
       bondedto (attr store1 < 34.1838908686  and attr store1 > 33.3838908686 ))) 
6 0.1 0.1 peak 771 volume 21.57746 ppm1 2.443 ppm2 2.026
 
! ############### c13noe.772 folded +
assi (attr store1 < 1.63 and attr store1 > 1.53 )
     ((attr store1 < 2.472 and attr store1 > 2.412 ) and 
      (bondedto (attr store1 < 129.635109131  and attr store1 > 128.835109131 ) or 
       bondedto (attr store1 < 81.911  and attr store1 > 81.111 ) or 
       bondedto (attr store1 < 34.1868908686  and attr store1 > 33.3868908686 ))) 
6 0.1 0.1 peak 772 volume 8.72111 ppm1 2.442 ppm2 1.580
 
! ############### c13noe.773 folded +
assi (attr store1 < 1.107 and attr store1 > 1.007 )
     ((attr store1 < 2.068 and attr store1 > 2.008 ) and 
      (bondedto (attr store1 < 129.588109131  and attr store1 > 128.788109131 ) or 
       bondedto (attr store1 < 81.864  and attr store1 > 81.064 ) or 
       bondedto (attr store1 < 34.1398908686  and attr store1 > 33.3398908686 ))) 
6 0.1 0.1 peak 773 volume 7.24905 ppm1 2.038 ppm2 1.057
 
! ############### c13noe.774 folded +
assi (attr store1 < 2.487 and attr store1 > 2.387 )
     ((attr store1 < 2.056 and attr store1 > 1.996 ) and 
      (bondedto (attr store1 < 129.593109131  and attr store1 > 128.793109131 ) or 
       bondedto (attr store1 < 81.869  and attr store1 > 81.069 ) or 
       bondedto (attr store1 < 34.1448908686  and attr store1 > 33.3448908686 ))) 
6 0.1 0.1 peak 774 volume 16.69467 ppm1 2.026 ppm2 2.437
 
! ############### c13noe.775 folded +
assi (attr store1 < 3.948 and attr store1 > 3.848 )
     ((attr store1 < 2.054 and attr store1 > 1.994 ) and 
      (bondedto (attr store1 < 129.606109131  and attr store1 > 128.806109131 ) or 
       bondedto (attr store1 < 81.882  and attr store1 > 81.082 ) or 
       bondedto (attr store1 < 34.1578908686  and attr store1 > 33.3578908686 ))) 
6 0.1 0.1 peak 775 volume 7.67635 ppm1 2.024 ppm2 3.898
 
! ############### c13noe.776 folded +
assi (attr store1 < 1.625 and attr store1 > 1.525 )
     ((attr store1 < 2.055 and attr store1 > 1.995 ) and 
      (bondedto (attr store1 < 129.577109131  and attr store1 > 128.777109131 ) or 
       bondedto (attr store1 < 81.853  and attr store1 > 81.053 ) or 
       bondedto (attr store1 < 34.1288908686  and attr store1 > 33.3288908686 ))) 
6 0.1 0.1 peak 776 volume 10.34167 ppm1 2.025 ppm2 1.575
 
! ############### c13noe.777 folded +
assi (attr store1 < 4.058 and attr store1 > 3.958 )
     ((attr store1 < 1.91 and attr store1 > 1.85 ) and 
      (bondedto (attr store1 < 129.560109131  and attr store1 > 128.760109131 ) or 
       bondedto (attr store1 < 81.836  and attr store1 > 81.036 ) or 
       bondedto (attr store1 < 34.1118908686  and attr store1 > 33.3118908686 ))) 
6 0.1 0.1 peak 777 volume 27.40203 ppm1 1.880 ppm2 4.008
 
! ############### c13noe.778 folded -
assi (attr store1 < 1.38 and attr store1 > 1.28 )
     ((attr store1 < 4.224 and attr store1 > 4.164 ) and 
      (bondedto (attr store1 < 105.743054566  and attr store1 > 104.943054566 ) or 
       bondedto (attr store1 < 153.467163697  and attr store1 > 152.667163697) or 
       bondedto (attr store1 < 58.0189454343  and attr store1 > 57.2189454343 ))) 
6 0.1 0.1 peak 778 volume 11.05793 ppm1 4.194 ppm2 1.330
 
! ############### c13noe.779 folded -
assi (attr store1 < 0.81 and attr store1 > 0.71 )
     ((attr store1 < 4.175 and attr store1 > 4.115 ) and 
      (bondedto (attr store1 < 105.785054566  and attr store1 > 104.985054566 ) or 
       bondedto (attr store1 < 153.509163697  and attr store1 > 152.709163697) or 
       bondedto (attr store1 < 58.0609454343  and attr store1 > 57.2609454343 ))) 
6 0.1 0.1 peak 779 volume 13.87365 ppm1 4.145 ppm2 0.760
 
! ############### c13noe.780 folded -
assi (attr store1 < 2.226 and attr store1 > 2.126 )
     ((attr store1 < 0.991 and attr store1 > 0.931 ) and 
      (bondedto (attr store1 < 105.784054566  and attr store1 > 104.984054566 ) or 
       bondedto (attr store1 < 153.508163697  and attr store1 > 152.708163697) or 
       bondedto (attr store1 < 58.0599454343  and attr store1 > 57.2599454343 ))) 
6 0.1 0.1 peak 780 volume 6.9562 ppm1 0.961 ppm2 2.176
 
! ############### c13noe.781 folded -
assi (attr store1 < 1.978 and attr store1 > 1.878 )
     ((attr store1 < 0.982 and attr store1 > 0.922 ) and 
      (bondedto (attr store1 < 105.764054566  and attr store1 > 104.964054566 ) or 
       bondedto (attr store1 < 153.488163697  and attr store1 > 152.688163697) or 
       bondedto (attr store1 < 58.0399454343  and attr store1 > 57.2399454343 ))) 
6 0.1 0.1 peak 781 volume 8.44675 ppm1 0.952 ppm2 1.928
 
! ############### c13noe.782 folded -
assi (attr store1 < 1.893 and attr store1 > 1.793 )
     ((attr store1 < 0.983 and attr store1 > 0.923 ) and 
      (bondedto (attr store1 < 105.742054566  and attr store1 > 104.942054566 ) or 
       bondedto (attr store1 < 153.466163697  and attr store1 > 152.666163697) or 
       bondedto (attr store1 < 58.0179454343  and attr store1 > 57.2179454343 ))) 
6 0.1 0.1 peak 782 volume 11.81823 ppm1 0.953 ppm2 1.843
 
! ############### c13noe.783 folded -
assi (attr store1 < 1.75 and attr store1 > 1.65 )
     ((attr store1 < 0.978 and attr store1 > 0.918 ) and 
      (bondedto (attr store1 < 105.723054566  and attr store1 > 104.923054566 ) or 
       bondedto (attr store1 < 153.447163697  and attr store1 > 152.647163697) or 
       bondedto (attr store1 < 57.9989454343  and attr store1 > 57.1989454343 ))) 
6 0.1 0.1 peak 783 volume 7.61302 ppm1 0.948 ppm2 1.700
 
! ############### c13noe.784 folded +
assi (attr store1 < 7.041 and attr store1 > 6.941 )
     ((attr store1 < 2.251 and attr store1 > 2.191 ) and 
      (bondedto (attr store1 < 129.471109131  and attr store1 > 128.671109131 ) or 
       bondedto (attr store1 < 81.747  and attr store1 > 80.947 ) or 
       bondedto (attr store1 < 34.0228908686  and attr store1 > 33.2228908686 ))) 
6 0.1 0.1 peak 784 volume 13.09885 ppm1 2.221 ppm2 6.991
 
! ############### c13noe.785 folded +
assi (attr store1 < 1.925 and attr store1 > 1.825 )
     ((attr store1 < 2.249 and attr store1 > 2.189 ) and 
      (bondedto (attr store1 < 129.484109131  and attr store1 > 128.684109131 ) or 
       bondedto (attr store1 < 81.76  and attr store1 > 80.96 ) or 
       bondedto (attr store1 < 34.0358908686  and attr store1 > 33.2358908686 ))) 
6 0.1 0.1 peak 785 volume 208.04019 ppm1 2.219 ppm2 1.875
 
! ############### c13noe.786 folded +
assi (attr store1 < 8.085 and attr store1 > 7.985 )
     ((attr store1 < 2.248 and attr store1 > 2.188 ) and 
      (bondedto (attr store1 < 129.474109131  and attr store1 > 128.674109131 ) or 
       bondedto (attr store1 < 81.75  and attr store1 > 80.95 ) or 
       bondedto (attr store1 < 34.0258908686  and attr store1 > 33.2258908686 ))) 
6 0.1 0.1 peak 786 volume 13.83553 ppm1 2.218 ppm2 8.035
 
! ############### c13noe.787 folded +
assi (attr store1 < 6.674 and attr store1 > 6.574 )
     ((attr store1 < 2.247 and attr store1 > 2.187 ) and 
      (bondedto (attr store1 < 129.470109131  and attr store1 > 128.670109131 ) or 
       bondedto (attr store1 < 81.746  and attr store1 > 80.946 ) or 
       bondedto (attr store1 < 34.0218908686  and attr store1 > 33.2218908686 ))) 
6 0.1 0.1 peak 787 volume 10.24797 ppm1 2.217 ppm2 6.624
 
! ############### c13noe.788 folded +
assi (attr store1 < 7.044 and attr store1 > 6.944 )
     ((attr store1 < 1.909 and attr store1 > 1.849 ) and 
      (bondedto (attr store1 < 129.494109131  and attr store1 > 128.694109131 ) or 
       bondedto (attr store1 < 81.77  and attr store1 > 80.97 ) or 
       bondedto (attr store1 < 34.0458908686  and attr store1 > 33.2458908686 ))) 
6 0.1 0.1 peak 788 volume 13.92456 ppm1 1.879 ppm2 6.994
 
! ############### c13noe.789 folded +
assi (attr store1 < 6.678 and attr store1 > 6.578 )
     ((attr store1 < 1.91 and attr store1 > 1.85 ) and 
      (bondedto (attr store1 < 129.489109131  and attr store1 > 128.689109131 ) or 
       bondedto (attr store1 < 81.765  and attr store1 > 80.965 ) or 
       bondedto (attr store1 < 34.0408908686  and attr store1 > 33.2408908686 ))) 
6 0.1 0.1 peak 789 volume 9.56176 ppm1 1.880 ppm2 6.628
 
! ############### c13noe.790 folded +
assi (attr store1 < 2.267 and attr store1 > 2.167 )
     ((attr store1 < 1.908 and attr store1 > 1.848 ) and 
      (bondedto (attr store1 < 129.483109131  and attr store1 > 128.683109131 ) or 
       bondedto (attr store1 < 81.759  and attr store1 > 80.959 ) or 
       bondedto (attr store1 < 34.0348908686  and attr store1 > 33.2348908686 ))) 
6 0.1 0.1 peak 790 volume 180.85066 ppm1 1.878 ppm2 2.217
 
! ############### c13noe.791 folded +
assi (attr store1 < 2.126 and attr store1 > 2.026 )
     ((attr store1 < 1.91 and attr store1 > 1.85 ) and 
      (bondedto (attr store1 < 129.490109131  and attr store1 > 128.690109131 ) or 
       bondedto (attr store1 < 81.766  and attr store1 > 80.966 ) or 
       bondedto (attr store1 < 34.0418908686  and attr store1 > 33.2418908686 ))) 
6 0.1 0.1 peak 791 volume 48.57714 ppm1 1.880 ppm2 2.076
 
! ############### c13noe.792 folded +
assi (attr store1 < 8.088 and attr store1 > 7.988 )
     ((attr store1 < 1.905 and attr store1 > 1.845 ) and 
      (bondedto (attr store1 < 129.494109131  and attr store1 > 128.694109131 ) or 
       bondedto (attr store1 < 81.77  and attr store1 > 80.97 ) or 
       bondedto (attr store1 < 34.0458908686  and attr store1 > 33.2458908686 ))) 
6 0.1 0.1 peak 792 volume 12.78775 ppm1 1.875 ppm2 8.038
 
! ############### c13noe.793 folded +
assi (attr store1 < 7.927 and attr store1 > 7.827 )
     ((attr store1 < 1.906 and attr store1 > 1.846 ) and 
      (bondedto (attr store1 < 129.485109131  and attr store1 > 128.685109131 ) or 
       bondedto (attr store1 < 81.761  and attr store1 > 80.961 ) or 
       bondedto (attr store1 < 34.0368908686  and attr store1 > 33.2368908686 ))) 
6 0.1 0.1 peak 793 volume 6.79931 ppm1 1.876 ppm2 7.877
 
! ############### c13noe.794 folded -
assi (attr store1 < 7.864 and attr store1 > 7.764 )
     ((attr store1 < 4.233 and attr store1 > 4.173 ) and 
      (bondedto (attr store1 < 105.627054566  and attr store1 > 104.827054566 ) or 
       bondedto (attr store1 < 153.351163697  and attr store1 > 152.551163697) or 
       bondedto (attr store1 < 57.9029454343  and attr store1 > 57.1029454343 ))) 
6 0.1 0.1 peak 794 volume 29.85467 ppm1 4.203 ppm2 7.814
 
! ############### c13noe.795 folded -
assi (attr store1 < 2.074 and attr store1 > 1.974 )
     ((attr store1 < 4.232 and attr store1 > 4.172 ) and 
      (bondedto (attr store1 < 105.655054566  and attr store1 > 104.855054566 ) or 
       bondedto (attr store1 < 153.379163697  and attr store1 > 152.579163697) or 
       bondedto (attr store1 < 57.9309454343  and attr store1 > 57.1309454343 ))) 
6 0.1 0.1 peak 795 volume 20.31694 ppm1 4.202 ppm2 2.024
 
! ############### c13noe.796 folded -
assi (attr store1 < 1.971 and attr store1 > 1.871 )
     ((attr store1 < 4.232 and attr store1 > 4.172 ) and 
      (bondedto (attr store1 < 105.616054566  and attr store1 > 104.816054566 ) or 
       bondedto (attr store1 < 153.340163697  and attr store1 > 152.540163697) or 
       bondedto (attr store1 < 57.8919454343  and attr store1 > 57.0919454343 ))) 
6 0.1 0.1 peak 796 volume 25.73707 ppm1 4.202 ppm2 1.921
 
! ############### c13noe.797 folded -
assi (attr store1 < 1.904 and attr store1 > 1.804 )
     ((attr store1 < 4.227 and attr store1 > 4.167 ) and 
      (bondedto (attr store1 < 105.628054566  and attr store1 > 104.828054566 ) or 
       bondedto (attr store1 < 153.352163697  and attr store1 > 152.552163697) or 
       bondedto (attr store1 < 57.9039454343  and attr store1 > 57.1039454343 ))) 
6 0.1 0.1 peak 797 volume 21.3421 ppm1 4.197 ppm2 1.854
 
! ############### c13noe.798 folded -
assi (attr store1 < 1.739 and attr store1 > 1.639 )
     ((attr store1 < 4.228 and attr store1 > 4.168 ) and 
      (bondedto (attr store1 < 105.627054566  and attr store1 > 104.827054566 ) or 
       bondedto (attr store1 < 153.351163697  and attr store1 > 152.551163697) or 
       bondedto (attr store1 < 57.9029454343  and attr store1 > 57.1029454343 ))) 
6 0.1 0.1 peak 798 volume 32.32908 ppm1 4.198 ppm2 1.689
 
! ############### c13noe.799 folded -
assi (attr store1 < 0.975 and attr store1 > 0.875 )
     ((attr store1 < 4.229 and attr store1 > 4.169 ) and 
      (bondedto (attr store1 < 105.626054566  and attr store1 > 104.826054566 ) or 
       bondedto (attr store1 < 153.350163697  and attr store1 > 152.550163697) or 
       bondedto (attr store1 < 57.9019454343  and attr store1 > 57.1019454343 ))) 
6 0.1 0.1 peak 799 volume 82.82244 ppm1 4.199 ppm2 0.925
 
! ############### c13noe.800 folded +
assi (attr store1 < 3.298 and attr store1 > 3.198 )
     ((attr store1 < 3.19 and attr store1 > 3.13 ) and 
      (bondedto (attr store1 < 129.380109131  and attr store1 > 128.580109131 ) or 
       bondedto (attr store1 < 81.656  and attr store1 > 80.856 ) or 
       bondedto (attr store1 < 33.9318908686  and attr store1 > 33.1318908686 ))) 
6 0.1 0.1 peak 800 volume 39.29243 ppm1 3.160 ppm2 3.248
 
! ############### c13noe.801 folded +
assi (attr store1 < 2.838 and attr store1 > 2.738 )
     ((attr store1 < 2.703 and attr store1 > 2.643 ) and 
      (bondedto (attr store1 < 129.399109131  and attr store1 > 128.599109131 ) or 
       bondedto (attr store1 < 81.675  and attr store1 > 80.875 ) or 
       bondedto (attr store1 < 33.9508908686  and attr store1 > 33.1508908686 ))) 
6 0.1 0.1 peak 801 volume 57.58965 ppm1 2.673 ppm2 2.788
 
! ############### c13noe.802 folded +
assi (attr store1 < 2.23 and attr store1 > 2.13 )
     ((attr store1 < 2.485 and attr store1 > 2.425 ) and 
      (bondedto (attr store1 < 129.402109131  and attr store1 > 128.602109131 ) or 
       bondedto (attr store1 < 81.678  and attr store1 > 80.878 ) or 
       bondedto (attr store1 < 33.9538908686  and attr store1 > 33.1538908686 ))) 
6 0.1 0.1 peak 802 volume 101.52873 ppm1 2.455 ppm2 2.180
 
! ############### c13noe.803 folded +
assi (attr store1 < 7.881 and attr store1 > 7.781 )
     ((attr store1 < 2.481 and attr store1 > 2.421 ) and 
      (bondedto (attr store1 < 129.404109131  and attr store1 > 128.604109131 ) or 
       bondedto (attr store1 < 81.68  and attr store1 > 80.88 ) or 
       bondedto (attr store1 < 33.9558908686  and attr store1 > 33.1558908686 ))) 
6 0.1 0.1 peak 803 volume 25.26966 ppm1 2.451 ppm2 7.831
 
! ############### c13noe.804 folded +
assi (attr store1 < 4.335 and attr store1 > 4.235 )
     ((attr store1 < 2.48 and attr store1 > 2.42 ) and 
      (bondedto (attr store1 < 129.398109131  and attr store1 > 128.598109131 ) or 
       bondedto (attr store1 < 81.674  and attr store1 > 80.874 ) or 
       bondedto (attr store1 < 33.9498908686  and attr store1 > 33.1498908686 ))) 
6 0.1 0.1 peak 804 volume 22.26869 ppm1 2.450 ppm2 4.285
 
! ############### c13noe.805 folded +
assi (attr store1 < 4.043 and attr store1 > 3.943 )
     ((attr store1 < 2.482 and attr store1 > 2.422 ) and 
      (bondedto (attr store1 < 129.437109131  and attr store1 > 128.637109131 ) or 
       bondedto (attr store1 < 81.713  and attr store1 > 80.913 ) or 
       bondedto (attr store1 < 33.9888908686  and attr store1 > 33.1888908686 ))) 
6 0.1 0.1 peak 805 volume 12.18803 ppm1 2.452 ppm2 3.993
 
! ############### c13noe.806 folded +
assi (attr store1 < 1.001 and attr store1 > 0.901 )
     ((attr store1 < 2.477 and attr store1 > 2.417 ) and 
      (bondedto (attr store1 < 129.397109131  and attr store1 > 128.597109131 ) or 
       bondedto (attr store1 < 81.673  and attr store1 > 80.873 ) or 
       bondedto (attr store1 < 33.9488908686  and attr store1 > 33.1488908686 ))) 
6 0.1 0.1 peak 806 volume 7.89198 ppm1 2.447 ppm2 0.951
 
! ############### c13noe.807 folded +
assi (attr store1 < 1.994 and attr store1 > 1.894 )
     ((attr store1 < 2.344 and attr store1 > 2.284 ) and 
      (bondedto (attr store1 < 129.454109131  and attr store1 > 128.654109131 ) or 
       bondedto (attr store1 < 81.73  and attr store1 > 80.93 ) or 
       bondedto (attr store1 < 34.0058908686  and attr store1 > 33.2058908686 ))) 
6 0.1 0.1 peak 807 volume 48.04331 ppm1 2.314 ppm2 1.944
 
! ############### c13noe.808 folded +
assi (attr store1 < 1.934 and attr store1 > 1.834 )
     ((attr store1 < 2.26 and attr store1 > 2.2 ) and 
      (bondedto (attr store1 < 129.431109131  and attr store1 > 128.631109131 ) or 
       bondedto (attr store1 < 81.707  and attr store1 > 80.907 ) or 
       bondedto (attr store1 < 33.9828908686  and attr store1 > 33.1828908686 ))) 
6 0.1 0.1 peak 808 volume 172.40575 ppm1 2.230 ppm2 1.884
 
! ############### c13noe.809 folded +
assi (attr store1 < 4.05 and attr store1 > 3.95 )
     ((attr store1 < 2.246 and attr store1 > 2.186 ) and 
      (bondedto (attr store1 < 129.443109131  and attr store1 > 128.643109131 ) or 
       bondedto (attr store1 < 81.719  and attr store1 > 80.919 ) or 
       bondedto (attr store1 < 33.9948908686  and attr store1 > 33.1948908686 ))) 
6 0.1 0.1 peak 809 volume 34.54358 ppm1 2.216 ppm2 4.000
 
! ############### c13noe.810 folded +
assi (attr store1 < 2.499 and attr store1 > 2.399 )
     ((attr store1 < 2.205 and attr store1 > 2.145 ) and 
      (bondedto (attr store1 < 129.389109131  and attr store1 > 128.589109131 ) or 
       bondedto (attr store1 < 81.665  and attr store1 > 80.865 ) or 
       bondedto (attr store1 < 33.9408908686  and attr store1 > 33.1408908686 ))) 
6 0.1 0.1 peak 810 volume 91.81318 ppm1 2.175 ppm2 2.449
 
! ############### c13noe.811 folded +
assi (attr store1 < 4.037 and attr store1 > 3.937 )
     ((attr store1 < 2.201 and attr store1 > 2.141 ) and 
      (bondedto (attr store1 < 129.397109131  and attr store1 > 128.597109131 ) or 
       bondedto (attr store1 < 81.673  and attr store1 > 80.873 ) or 
       bondedto (attr store1 < 33.9488908686  and attr store1 > 33.1488908686 ))) 
6 0.1 0.1 peak 811 volume 12.43926 ppm1 2.171 ppm2 3.987
 
! ############### c13noe.812 folded +
assi (attr store1 < 0.994 and attr store1 > 0.894 )
     ((attr store1 < 2.201 and attr store1 > 2.141 ) and 
      (bondedto (attr store1 < 129.402109131  and attr store1 > 128.602109131 ) or 
       bondedto (attr store1 < 81.678  and attr store1 > 80.878 ) or 
       bondedto (attr store1 < 33.9538908686  and attr store1 > 33.1538908686 ))) 
6 0.1 0.1 peak 812 volume 10.52612 ppm1 2.171 ppm2 0.944
 
! ############### c13noe.813 folded +
assi (attr store1 < 7.878 and attr store1 > 7.778 )
     ((attr store1 < 2.198 and attr store1 > 2.138 ) and 
      (bondedto (attr store1 < 129.391109131  and attr store1 > 128.591109131 ) or 
       bondedto (attr store1 < 81.667  and attr store1 > 80.867 ) or 
       bondedto (attr store1 < 33.9428908686  and attr store1 > 33.1428908686 ))) 
6 0.1 0.1 peak 813 volume 32.53902 ppm1 2.168 ppm2 7.828
 
! ############### c13noe.814 folded +
assi (attr store1 < 2.367 and attr store1 > 2.267 )
     ((attr store1 < 2.012 and attr store1 > 1.952 ) and 
      (bondedto (attr store1 < 129.397109131  and attr store1 > 128.597109131 ) or 
       bondedto (attr store1 < 81.673  and attr store1 > 80.873 ) or 
       bondedto (attr store1 < 33.9488908686  and attr store1 > 33.1488908686 ))) 
6 0.1 0.1 peak 814 volume 19.23138 ppm1 1.982 ppm2 2.317
 
! ############### c13noe.815 folded +
assi (attr store1 < 2.139 and attr store1 > 2.039 )
     ((attr store1 < 1.902 and attr store1 > 1.842 ) and 
      (bondedto (attr store1 < 129.435109131  and attr store1 > 128.635109131 ) or 
       bondedto (attr store1 < 81.711  and attr store1 > 80.911 ) or 
       bondedto (attr store1 < 33.9868908686  and attr store1 > 33.1868908686 ))) 
6 0.1 0.1 peak 815 volume 45.77471 ppm1 1.872 ppm2 2.089
 
! ############### c13noe.816 folded +
assi (attr store1 < 1.497 and attr store1 > 1.397 )
     ((attr store1 < 1.42 and attr store1 > 1.36 ) and 
      (bondedto (attr store1 < 129.384109131  and attr store1 > 128.584109131 ) or 
       bondedto (attr store1 < 81.66  and attr store1 > 80.86 ) or 
       bondedto (attr store1 < 33.9358908686  and attr store1 > 33.1358908686 ))) 
6 0.1 0.1 peak 816 volume 6.50978 ppm1 1.390 ppm2 1.447
 
! ############### c13noe.817 folded +
assi (attr store1 < 1.227 and attr store1 > 1.127 )
     ((attr store1 < 1.289 and attr store1 > 1.229 ) and 
      (bondedto (attr store1 < 129.402109131  and attr store1 > 128.602109131 ) or 
       bondedto (attr store1 < 81.678  and attr store1 > 80.878 ) or 
       bondedto (attr store1 < 33.9538908686  and attr store1 > 33.1538908686 ))) 
6 0.1 0.1 peak 817 volume 11.42402 ppm1 1.259 ppm2 1.177
 
! ############### c13noe.818 folded +
assi (attr store1 < 1.495 and attr store1 > 1.395 )
     ((attr store1 < 1.26 and attr store1 > 1.2 ) and 
      (bondedto (attr store1 < 129.458109131  and attr store1 > 128.658109131 ) or 
       bondedto (attr store1 < 81.734  and attr store1 > 80.934 ) or 
       bondedto (attr store1 < 34.0098908686  and attr store1 > 33.2098908686 ))) 
6 0.1 0.1 peak 818 volume 7.78831 ppm1 1.230 ppm2 1.445
 
! ############### c13noe.819 folded +
assi (attr store1 < 1.342 and attr store1 > 1.242 )
     ((attr store1 < 1.262 and attr store1 > 1.202 ) and 
      (bondedto (attr store1 < 129.451109131  and attr store1 > 128.651109131 ) or 
       bondedto (attr store1 < 81.727  and attr store1 > 80.927 ) or 
       bondedto (attr store1 < 34.0028908686  and attr store1 > 33.2028908686 ))) 
6 0.1 0.1 peak 819 volume 30.22066 ppm1 1.232 ppm2 1.292
 
! ############### c13noe.820 folded +
assi (attr store1 < 1.527 and attr store1 > 1.427 )
     ((attr store1 < 1.252 and attr store1 > 1.192 ) and 
      (bondedto (attr store1 < 129.416109131  and attr store1 > 128.616109131 ) or 
       bondedto (attr store1 < 81.692  and attr store1 > 80.892 ) or 
       bondedto (attr store1 < 33.9678908686  and attr store1 > 33.1678908686 ))) 
6 0.1 0.1 peak 820 volume 6.62745 ppm1 1.222 ppm2 1.477
 
! ############### c13noe.821 folded +
assi (attr store1 < 1.462 and attr store1 > 1.362 )
     ((attr store1 < 1.251 and attr store1 > 1.191 ) and 
      (bondedto (attr store1 < 129.407109131  and attr store1 > 128.607109131 ) or 
       bondedto (attr store1 < 81.683  and attr store1 > 80.883 ) or 
       bondedto (attr store1 < 33.9588908686  and attr store1 > 33.1588908686 ))) 
6 0.1 0.1 peak 821 volume 9.01528 ppm1 1.221 ppm2 1.412
 
! ############### c13noe.822 folded +
assi (attr store1 < 1.384 and attr store1 > 1.284 )
     ((attr store1 < 1.251 and attr store1 > 1.191 ) and 
      (bondedto (attr store1 < 129.416109131  and attr store1 > 128.616109131 ) or 
       bondedto (attr store1 < 81.692  and attr store1 > 80.892 ) or 
       bondedto (attr store1 < 33.9678908686  and attr store1 > 33.1678908686 ))) 
6 0.1 0.1 peak 822 volume 10.95311 ppm1 1.221 ppm2 1.334
 
! ############### c13noe.823 folded +
assi (attr store1 < 0.966 and attr store1 > 0.866 )
     ((attr store1 < 0.994 and attr store1 > 0.934 ) and 
      (bondedto (attr store1 < 129.409109131  and attr store1 > 128.609109131 ) or 
       bondedto (attr store1 < 81.685  and attr store1 > 80.885 ) or 
       bondedto (attr store1 < 33.9608908686  and attr store1 > 33.1608908686 ))) 
6 0.1 0.1 peak 823 volume 13.24018 ppm1 0.964 ppm2 0.916
 
! ############### c13noe.824 folded +
assi (attr store1 < 0.964 and attr store1 > 0.864 )
     ((attr store1 < 0.919 and attr store1 > 0.859 ) and 
      (bondedto (attr store1 < 129.425109131  and attr store1 > 128.625109131 ) or 
       bondedto (attr store1 < 81.701  and attr store1 > 80.901 ) or 
       bondedto (attr store1 < 33.9768908686  and attr store1 > 33.1768908686 ))) 
6 0.1 0.1 peak 824 volume 68.63698 ppm1 0.889 ppm2 0.914
 
! ############### c13noe.825 folded +
assi (attr store1 < 1.041 and attr store1 > 0.941 )
     ((attr store1 < 0.893 and attr store1 > 0.833 ) and 
      (bondedto (attr store1 < 129.400109131  and attr store1 > 128.600109131 ) or 
       bondedto (attr store1 < 81.676  and attr store1 > 80.876 ) or 
       bondedto (attr store1 < 33.9518908686  and attr store1 > 33.1518908686 ))) 
6 0.1 0.1 peak 825 volume 7.11914 ppm1 0.863 ppm2 0.991
 
! ############### c13noe.826 folded +
assi (attr store1 < 0.89 and attr store1 > 0.79 )
     ((attr store1 < 0.871 and attr store1 > 0.811 ) and 
      (bondedto (attr store1 < 129.410109131  and attr store1 > 128.610109131 ) or 
       bondedto (attr store1 < 81.686  and attr store1 > 80.886 ) or 
       bondedto (attr store1 < 33.9618908686  and attr store1 > 33.1618908686 ))) 
6 0.1 0.1 peak 826 volume 27.30011 ppm1 0.841 ppm2 0.840
 
! ############### c13noe.827 folded +
assi (attr store1 < 0.972 and attr store1 > 0.872 )
     ((attr store1 < 0.863 and attr store1 > 0.803 ) and 
      (bondedto (attr store1 < 129.444109131  and attr store1 > 128.644109131 ) or 
       bondedto (attr store1 < 81.72  and attr store1 > 80.92 ) or 
       bondedto (attr store1 < 33.9958908686  and attr store1 > 33.1958908686 ))) 
6 0.1 0.1 peak 827 volume 12.73589 ppm1 0.833 ppm2 0.922
 
! ############### c13noe.828 folded +
assi (attr store1 < 0.955 and attr store1 > 0.855 )
     ((attr store1 < 0.818 and attr store1 > 0.758 ) and 
      (bondedto (attr store1 < 129.373109131  and attr store1 > 128.573109131 ) or 
       bondedto (attr store1 < 81.649  and attr store1 > 80.849 ) or 
       bondedto (attr store1 < 33.9248908686  and attr store1 > 33.1248908686 ))) 
6 0.1 0.1 peak 828 volume 8.91488 ppm1 0.788 ppm2 0.905
 
! ############### c13noe.829 folded -
assi (attr store1 < 3.823 and attr store1 > 3.723 )
     ((attr store1 < 3.893 and attr store1 > 3.833 ) and 
      (bondedto (attr store1 < 105.545054566  and attr store1 > 104.745054566 ) or 
       bondedto (attr store1 < 153.269163697  and attr store1 > 152.469163697) or 
       bondedto (attr store1 < 57.8209454343  and attr store1 > 57.0209454343 ))) 
6 0.1 0.1 peak 829 volume 23.95166 ppm1 3.863 ppm2 3.773
 
! ############### c13noe.830 folded -
assi (attr store1 < 1.679 and attr store1 > 1.579 )
     ((attr store1 < 1.57 and attr store1 > 1.51 ) and 
      (bondedto (attr store1 < 105.583054566  and attr store1 > 104.783054566 ) or 
       bondedto (attr store1 < 153.307163697  and attr store1 > 152.507163697) or 
       bondedto (attr store1 < 57.8589454343  and attr store1 > 57.0589454343 ))) 
6 0.1 0.1 peak 830 volume 14.29061 ppm1 1.540 ppm2 1.629
 
! ############### c13noe.831 folded -
assi (attr store1 < 1.614 and attr store1 > 1.514 )
     ((attr store1 < 1.57 and attr store1 > 1.51 ) and 
      (bondedto (attr store1 < 105.571054566  and attr store1 > 104.771054566 ) or 
       bondedto (attr store1 < 153.295163697  and attr store1 > 152.495163697) or 
       bondedto (attr store1 < 57.8469454343  and attr store1 > 57.0469454343 ))) 
6 0.1 0.1 peak 831 volume 29.98265 ppm1 1.540 ppm2 1.564
 
! ############### c13noe.832 folded -
assi (attr store1 < 1.25 and attr store1 > 1.15 )
     ((attr store1 < 1.18 and attr store1 > 1.12 ) and 
      (bondedto (attr store1 < 105.548054566  and attr store1 > 104.748054566 ) or 
       bondedto (attr store1 < 153.272163697  and attr store1 > 152.472163697) or 
       bondedto (attr store1 < 57.8239454343  and attr store1 > 57.0239454343 ))) 
6 0.1 0.1 peak 832 volume 6.53758 ppm1 1.150 ppm2 1.200
 
! ############### c13noe.833 folded -
assi (attr store1 < 1.186 and attr store1 > 1.086 )
     ((attr store1 < 1.179 and attr store1 > 1.119 ) and 
      (bondedto (attr store1 < 105.515054566  and attr store1 > 104.715054566 ) or 
       bondedto (attr store1 < 153.239163697  and attr store1 > 152.439163697) or 
       bondedto (attr store1 < 57.7909454343  and attr store1 > 56.9909454343 ))) 
6 0.1 0.1 peak 833 volume 23.99064 ppm1 1.149 ppm2 1.136
 
! ############### c13noe.834 folded -
assi (attr store1 < 1.123 and attr store1 > 1.023 )
     ((attr store1 < 1.179 and attr store1 > 1.119 ) and 
      (bondedto (attr store1 < 105.548054566  and attr store1 > 104.748054566 ) or 
       bondedto (attr store1 < 153.272163697  and attr store1 > 152.472163697) or 
       bondedto (attr store1 < 57.8239454343  and attr store1 > 57.0239454343 ))) 
6 0.1 0.1 peak 834 volume 8.39611 ppm1 1.149 ppm2 1.073
 
! ############### c13noe.835 folded -
assi (attr store1 < 1.168 and attr store1 > 1.068 )
     ((attr store1 < 1.146 and attr store1 > 1.086 ) and 
      (bondedto (attr store1 < 105.575054566  and attr store1 > 104.775054566 ) or 
       bondedto (attr store1 < 153.299163697  and attr store1 > 152.499163697) or 
       bondedto (attr store1 < 57.8509454343  and attr store1 > 57.0509454343 ))) 
6 0.1 0.1 peak 835 volume 77.8163 ppm1 1.116 ppm2 1.118
 
! ############### c13noe.836 folded -
assi (attr store1 < 1.092 and attr store1 > 0.992 )
     ((attr store1 < 1.141 and attr store1 > 1.081 ) and 
      (bondedto (attr store1 < 105.552054566  and attr store1 > 104.752054566 ) or 
       bondedto (attr store1 < 153.276163697  and attr store1 > 152.476163697) or 
       bondedto (attr store1 < 57.8279454343  and attr store1 > 57.0279454343 ))) 
6 0.1 0.1 peak 836 volume 13.23817 ppm1 1.111 ppm2 1.042
 
! ############### c13noe.837 folded -
assi (attr store1 < 1.107 and attr store1 > 1.007 )
     ((attr store1 < 1.038 and attr store1 > 0.978 ) and 
      (bondedto (attr store1 < 105.516054566  and attr store1 > 104.716054566 ) or 
       bondedto (attr store1 < 153.240163697  and attr store1 > 152.440163697) or 
       bondedto (attr store1 < 57.7919454343  and attr store1 > 56.9919454343 ))) 
6 0.1 0.1 peak 837 volume 19.05146 ppm1 1.008 ppm2 1.057
 
! ############### c13noe.838 folded -
assi (attr store1 < 1.162 and attr store1 > 1.062 )
     ((attr store1 < 0.943 and attr store1 > 0.883 ) and 
      (bondedto (attr store1 < 105.530054566  and attr store1 > 104.730054566 ) or 
       bondedto (attr store1 < 153.254163697  and attr store1 > 152.454163697) or 
       bondedto (attr store1 < 57.8059454343  and attr store1 > 57.0059454343 ))) 
6 0.1 0.1 peak 838 volume 9.58619 ppm1 0.913 ppm2 1.112
 
! ############### c13noe.839 folded -
assi (attr store1 < 0.88 and attr store1 > 0.78 )
     ((attr store1 < 0.943 and attr store1 > 0.883 ) and 
      (bondedto (attr store1 < 105.522054566  and attr store1 > 104.722054566 ) or 
       bondedto (attr store1 < 153.246163697  and attr store1 > 152.446163697) or 
       bondedto (attr store1 < 57.7979454343  and attr store1 > 56.9979454343 ))) 
6 0.1 0.1 peak 839 volume 29.77024 ppm1 0.913 ppm2 0.830
 
! ############### c13noe.840 folded -
assi (attr store1 < 0.806 and attr store1 > 0.706 )
     ((attr store1 < 0.943 and attr store1 > 0.883 ) and 
      (bondedto (attr store1 < 105.515054566  and attr store1 > 104.715054566 ) or 
       bondedto (attr store1 < 153.239163697  and attr store1 > 152.439163697) or 
       bondedto (attr store1 < 57.7909454343  and attr store1 > 56.9909454343 ))) 
6 0.1 0.1 peak 840 volume 8.34569 ppm1 0.913 ppm2 0.756
 
! ############### c13noe.841 folded -
assi (attr store1 < 1.077 and attr store1 > 0.977 )
     ((attr store1 < 0.893 and attr store1 > 0.833 ) and 
      (bondedto (attr store1 < 105.539054566  and attr store1 > 104.739054566 ) or 
       bondedto (attr store1 < 153.263163697  and attr store1 > 152.463163697) or 
       bondedto (attr store1 < 57.8149454343  and attr store1 > 57.0149454343 ))) 
6 0.1 0.1 peak 841 volume 6.39662 ppm1 0.863 ppm2 1.027
 
! ############### c13noe.842 folded +
assi (attr store1 < 3.21 and attr store1 > 3.11 )
     ((attr store1 < 3.284 and attr store1 > 3.224 ) and 
      (bondedto (attr store1 < 129.332109131  and attr store1 > 128.532109131 ) or 
       bondedto (attr store1 < 81.608  and attr store1 > 80.808 ) or 
       bondedto (attr store1 < 33.8838908686  and attr store1 > 33.0838908686 ))) 
6 0.1 0.1 peak 842 volume 41.44758 ppm1 3.254 ppm2 3.160
 
! ############### c13noe.843 folded +
assi (attr store1 < 2.25 and attr store1 > 2.15 )
     ((attr store1 < 2.67 and attr store1 > 2.61 ) and 
      (bondedto (attr store1 < 129.335109131  and attr store1 > 128.535109131 ) or 
       bondedto (attr store1 < 81.611  and attr store1 > 80.811 ) or 
       bondedto (attr store1 < 33.8868908686  and attr store1 > 33.0868908686 ))) 
6 0.1 0.1 peak 843 volume 16.20397 ppm1 2.640 ppm2 2.200
 
! ############### c13noe.844 folded +
assi (attr store1 < 4.335 and attr store1 > 4.235 )
     ((attr store1 < 2.199 and attr store1 > 2.139 ) and 
      (bondedto (attr store1 < 129.360109131  and attr store1 > 128.560109131 ) or 
       bondedto (attr store1 < 81.636  and attr store1 > 80.836 ) or 
       bondedto (attr store1 < 33.9118908686  and attr store1 > 33.1118908686 ))) 
6 0.1 0.1 peak 844 volume 22.64028 ppm1 2.169 ppm2 4.285
 
! ############### c13noe.845 folded +
assi (attr store1 < 4.246 and attr store1 > 4.146 )
     ((attr store1 < 1.267 and attr store1 > 1.207 ) and 
      (bondedto (attr store1 < 129.363109131  and attr store1 > 128.563109131 ) or 
       bondedto (attr store1 < 81.639  and attr store1 > 80.839 ) or 
       bondedto (attr store1 < 33.9148908686  and attr store1 > 33.1148908686 ))) 
6 0.1 0.1 peak 845 volume 7.19316 ppm1 1.237 ppm2 4.196
 
! ############### c13noe.846 folded -
assi (attr store1 < 3.898 and attr store1 > 3.798 )
     ((attr store1 < 3.938 and attr store1 > 3.878 ) and 
      (bondedto (attr store1 < 105.497054566  and attr store1 > 104.697054566 ) or 
       bondedto (attr store1 < 153.221163697  and attr store1 > 152.421163697) or 
       bondedto (attr store1 < 57.7729454343  and attr store1 > 56.9729454343 ))) 
6 0.1 0.1 peak 846 volume 29.29479 ppm1 3.908 ppm2 3.848
 
! ############### c13noe.847 folded -
assi (attr store1 < 3.953 and attr store1 > 3.853 )
     ((attr store1 < 3.874 and attr store1 > 3.814 ) and 
      (bondedto (attr store1 < 105.487054566  and attr store1 > 104.687054566 ) or 
       bondedto (attr store1 < 153.211163697  and attr store1 > 152.411163697) or 
       bondedto (attr store1 < 57.7629454343  and attr store1 > 56.9629454343 ))) 
6 0.1 0.1 peak 847 volume 25.35538 ppm1 3.844 ppm2 3.903
 
! ############### c13noe.848 folded -
assi (attr store1 < 3.722 and attr store1 > 3.622 )
     ((attr store1 < 3.869 and attr store1 > 3.809 ) and 
      (bondedto (attr store1 < 105.434054566  and attr store1 > 104.634054566 ) or 
       bondedto (attr store1 < 153.158163697  and attr store1 > 152.358163697) or 
       bondedto (attr store1 < 57.7099454343  and attr store1 > 56.9099454343 ))) 
6 0.1 0.1 peak 848 volume 16.60412 ppm1 3.839 ppm2 3.672
 
! ############### c13noe.849 folded -
assi (attr store1 < 3.913 and attr store1 > 3.813 )
     ((attr store1 < 3.807 and attr store1 > 3.747 ) and 
      (bondedto (attr store1 < 105.493054566  and attr store1 > 104.693054566 ) or 
       bondedto (attr store1 < 153.217163697  and attr store1 > 152.417163697) or 
       bondedto (attr store1 < 57.7689454343  and attr store1 > 56.9689454343 ))) 
6 0.1 0.1 peak 849 volume 22.66309 ppm1 3.777 ppm2 3.863
 
! ############### c13noe.850 folded -
assi (attr store1 < 3.885 and attr store1 > 3.785 )
     ((attr store1 < 3.702 and attr store1 > 3.642 ) and 
      (bondedto (attr store1 < 105.438054566  and attr store1 > 104.638054566 ) or 
       bondedto (attr store1 < 153.162163697  and attr store1 > 152.362163697) or 
       bondedto (attr store1 < 57.7139454343  and attr store1 > 56.9139454343 ))) 
6 0.1 0.1 peak 850 volume 16.90009 ppm1 3.672 ppm2 3.835
 
! ############### c13noe.851 folded -
assi (attr store1 < 2.222 and attr store1 > 2.122 )
     ((attr store1 < 2.691 and attr store1 > 2.631 ) and 
      (bondedto (attr store1 < 105.492054566  and attr store1 > 104.692054566 ) or 
       bondedto (attr store1 < 153.216163697  and attr store1 > 152.416163697) or 
       bondedto (attr store1 < 57.7679454343  and attr store1 > 56.9679454343 ))) 
6 0.1 0.1 peak 851 volume 11.29615 ppm1 2.661 ppm2 2.172
 
! ############### c13noe.852 folded -
assi (attr store1 < 1.237 and attr store1 > 1.137 )
     ((attr store1 < 1.487 and attr store1 > 1.427 ) and 
      (bondedto (attr store1 < 105.477054566  and attr store1 > 104.677054566 ) or 
       bondedto (attr store1 < 153.201163697  and attr store1 > 152.401163697) or 
       bondedto (attr store1 < 57.7529454343  and attr store1 > 56.9529454343 ))) 
6 0.1 0.1 peak 852 volume 12.26313 ppm1 1.457 ppm2 1.187
 
! ############### c13noe.853 folded -
assi (attr store1 < 1.503 and attr store1 > 1.403 )
     ((attr store1 < 1.219 and attr store1 > 1.159 ) and 
      (bondedto (attr store1 < 105.485054566  and attr store1 > 104.685054566 ) or 
       bondedto (attr store1 < 153.209163697  and attr store1 > 152.409163697) or 
       bondedto (attr store1 < 57.7609454343  and attr store1 > 56.9609454343 ))) 
6 0.1 0.1 peak 853 volume 14.70586 ppm1 1.189 ppm2 1.453
 
! ############### c13noe.854 folded -
assi (attr store1 < 3.308 and attr store1 > 3.208 )
     ((attr store1 < 4.508 and attr store1 > 4.448 ) and 
      (bondedto (attr store1 < 105.255054566  and attr store1 > 104.455054566 ) or 
       bondedto (attr store1 < 152.979163697  and attr store1 > 152.179163697) or 
       bondedto (attr store1 < 57.5309454343  and attr store1 > 56.7309454343 ))) 
6 0.1 0.1 peak 854 volume 29.08402 ppm1 4.478 ppm2 3.258
 
! ############### c13noe.855 folded +
assi (attr store1 < 1.195 and attr store1 > 1.095 )
     ((attr store1 < 2.817 and attr store1 > 2.757 ) and 
      (bondedto (attr store1 < 129.010109131  and attr store1 > 128.210109131 ) or 
       bondedto (attr store1 < 81.286  and attr store1 > 80.486 ) or 
       bondedto (attr store1 < 33.5618908686  and attr store1 > 32.7618908686 ))) 
6 0.1 0.1 peak 855 volume 22.21303 ppm1 2.787 ppm2 1.145
 
! ############### c13noe.856 folded +
assi (attr store1 < 2.721 and attr store1 > 2.621 )
     ((attr store1 < 2.466 and attr store1 > 2.406 ) and 
      (bondedto (attr store1 < 129.035109131  and attr store1 > 128.235109131 ) or 
       bondedto (attr store1 < 81.311  and attr store1 > 80.511 ) or 
       bondedto (attr store1 < 33.5868908686  and attr store1 > 32.7868908686 ))) 
6 0.1 0.1 peak 856 volume 12.01102 ppm1 2.436 ppm2 2.671
 
! ############### c13noe.857 folded +
assi (attr store1 < 2.72 and attr store1 > 2.62 )
     ((attr store1 < 2.203 and attr store1 > 2.143 ) and 
      (bondedto (attr store1 < 129.074109131  and attr store1 > 128.274109131 ) or 
       bondedto (attr store1 < 81.35  and attr store1 > 80.55 ) or 
       bondedto (attr store1 < 33.6258908686  and attr store1 > 32.8258908686 ))) 
6 0.1 0.1 peak 857 volume 8.66040 ppm1 2.173 ppm2 2.670
 
! ############### c13noe.858 folded -
assi (attr store1 < 8.032 and attr store1 > 7.932 )
     ((attr store1 < 4.509 and attr store1 > 4.449 ) and 
      (bondedto (attr store1 < 105.217054566  and attr store1 > 104.417054566 ) or 
       bondedto (attr store1 < 152.941163697  and attr store1 > 152.141163697) or 
       bondedto (attr store1 < 57.4929454343  and attr store1 > 56.6929454343 ))) 
6 0.1 0.1 peak 858 volume 20.95526 ppm1 4.479 ppm2 7.982
 
! ############### c13noe.859 folded -
assi (attr store1 < 3.213 and attr store1 > 3.113 )
     ((attr store1 < 4.509 and attr store1 > 4.449 ) and 
      (bondedto (attr store1 < 105.222054566  and attr store1 > 104.422054566 ) or 
       bondedto (attr store1 < 152.946163697  and attr store1 > 152.146163697) or 
       bondedto (attr store1 < 57.4979454343  and attr store1 > 56.6979454343 ))) 
6 0.1 0.1 peak 859 volume 29.02465 ppm1 4.479 ppm2 3.163
 
! ############### c13noe.860 folded +
assi (attr store1 < 2.472 and attr store1 > 2.372 )
     ((attr store1 < 2.821 and attr store1 > 2.761 ) and 
      (bondedto (attr store1 < 128.969109131  and attr store1 > 128.169109131 ) or 
       bondedto (attr store1 < 81.245  and attr store1 > 80.445 ) or 
       bondedto (attr store1 < 33.5208908686  and attr store1 > 32.7208908686 ))) 
6 0.1 0.1 peak 860 volume 46.22463 ppm1 2.791 ppm2 2.422
 
! ############### c13noe.861 folded +
assi (attr store1 < 2.386 and attr store1 > 2.286 )
     ((attr store1 < 2.82 and attr store1 > 2.76 ) and 
      (bondedto (attr store1 < 128.959109131  and attr store1 > 128.159109131 ) or 
       bondedto (attr store1 < 81.235  and attr store1 > 80.435 ) or 
       bondedto (attr store1 < 33.5108908686  and attr store1 > 32.7108908686 ))) 
6 0.1 0.1 peak 861 volume 39.41477 ppm1 2.790 ppm2 2.336
 
! ############### c13noe.862 folded +
assi (attr store1 < 8.629 and attr store1 > 8.529 )
     ((attr store1 < 2.815 and attr store1 > 2.755 ) and 
      (bondedto (attr store1 < 128.959109131  and attr store1 > 128.159109131 ) or 
       bondedto (attr store1 < 81.235  and attr store1 > 80.435 ) or 
       bondedto (attr store1 < 33.5108908686  and attr store1 > 32.7108908686 ))) 
6 0.1 0.1 peak 862 volume 10.82290 ppm1 2.785 ppm2 8.579
 
! ############### c13noe.863 folded +
assi (attr store1 < 2.726 and attr store1 > 2.626 )
     ((attr store1 < 2.813 and attr store1 > 2.753 ) and 
      (bondedto (attr store1 < 128.970109131  and attr store1 > 128.170109131 ) or 
       bondedto (attr store1 < 81.246  and attr store1 > 80.446 ) or 
       bondedto (attr store1 < 33.5218908686  and attr store1 > 32.7218908686 ))) 
6 0.1 0.1 peak 863 volume 311.73312 ppm1 2.783 ppm2 2.676
 
! ############### c13noe.864 folded +
assi (attr store1 < 1.145 and attr store1 > 1.045 )
     ((attr store1 < 2.813 and attr store1 > 2.753 ) and 
      (bondedto (attr store1 < 128.965109131  and attr store1 > 128.165109131 ) or 
       bondedto (attr store1 < 81.241  and attr store1 > 80.441 ) or 
       bondedto (attr store1 < 33.5168908686  and attr store1 > 32.7168908686 ))) 
6 0.1 0.1 peak 864 volume 29.99364 ppm1 2.783 ppm2 1.095
 
! ############### c13noe.865 folded +
assi (attr store1 < 8.631 and attr store1 > 8.531 )
     ((attr store1 < 2.706 and attr store1 > 2.646 ) and 
      (bondedto (attr store1 < 128.986109131  and attr store1 > 128.186109131 ) or 
       bondedto (attr store1 < 81.262  and attr store1 > 80.462 ) or 
       bondedto (attr store1 < 33.5378908686  and attr store1 > 32.7378908686 ))) 
6 0.1 0.1 peak 865 volume 11.66411 ppm1 2.676 ppm2 8.581
 
! ############### c13noe.866 folded +
assi (attr store1 < 2.476 and attr store1 > 2.376 )
     ((attr store1 < 2.707 and attr store1 > 2.647 ) and 
      (bondedto (attr store1 < 128.995109131  and attr store1 > 128.195109131 ) or 
       bondedto (attr store1 < 81.271  and attr store1 > 80.471 ) or 
       bondedto (attr store1 < 33.5468908686  and attr store1 > 32.7468908686 ))) 
6 0.1 0.1 peak 866 volume 43.19152 ppm1 2.677 ppm2 2.426
 
! ############### c13noe.867 folded +
assi (attr store1 < 2.379 and attr store1 > 2.279 )
     ((attr store1 < 2.707 and attr store1 > 2.647 ) and 
      (bondedto (attr store1 < 128.964109131  and attr store1 > 128.164109131 ) or 
       bondedto (attr store1 < 81.24  and attr store1 > 80.44 ) or 
       bondedto (attr store1 < 33.5158908686  and attr store1 > 32.7158908686 ))) 
6 0.1 0.1 peak 867 volume 36.33563 ppm1 2.677 ppm2 2.329
 
! ############### c13noe.868 folded +
assi (attr store1 < 1.146 and attr store1 > 1.046 )
     ((attr store1 < 2.705 and attr store1 > 2.645 ) and 
      (bondedto (attr store1 < 128.952109131  and attr store1 > 128.152109131 ) or 
       bondedto (attr store1 < 81.228  and attr store1 > 80.428 ) or 
       bondedto (attr store1 < 33.5038908686  and attr store1 > 32.7038908686 ))) 
6 0.1 0.1 peak 868 volume 32.65306 ppm1 2.675 ppm2 1.096
 
! ############### c13noe.869 folded +
assi (attr store1 < 2.834 and attr store1 > 2.734 )
     ((attr store1 < 2.703 and attr store1 > 2.643 ) and 
      (bondedto (attr store1 < 128.990109131  and attr store1 > 128.190109131 ) or 
       bondedto (attr store1 < 81.266  and attr store1 > 80.466 ) or 
       bondedto (attr store1 < 33.5418908686  and attr store1 > 32.7418908686 ))) 
6 0.1 0.1 peak 869 volume 335.71216 ppm1 2.673 ppm2 2.784
 
! ############### c13noe.870 folded +
assi (attr store1 < 1.205 and attr store1 > 1.105 )
     ((attr store1 < 2.703 and attr store1 > 2.643 ) and 
      (bondedto (attr store1 < 128.962109131  and attr store1 > 128.162109131 ) or 
       bondedto (attr store1 < 81.238  and attr store1 > 80.438 ) or 
       bondedto (attr store1 < 33.5138908686  and attr store1 > 32.7138908686 ))) 
6 0.1 0.1 peak 870 volume 22.92034 ppm1 2.673 ppm2 1.155
 
! ############### c13noe.871 folded +
assi (attr store1 < 3.718 and attr store1 > 3.618 )
     ((attr store1 < 3.865 and attr store1 > 3.805 ) and 
      (bondedto (attr store1 < 128.820109131  and attr store1 > 128.020109131 ) or 
       bondedto (attr store1 < 81.096  and attr store1 > 80.296 ) or 
       bondedto (attr store1 < 33.3718908686  and attr store1 > 32.5718908686 ))) 
6 0.1 0.1 peak 871 volume 11.54377 ppm1 3.835 ppm2 3.668
 
! ############### c13noe.872 folded +
assi (attr store1 < 3.208 and attr store1 > 3.108 )
     ((attr store1 < 3.287 and attr store1 > 3.227 ) and 
      (bondedto (attr store1 < 128.870109131  and attr store1 > 128.070109131 ) or 
       bondedto (attr store1 < 81.146  and attr store1 > 80.346 ) or 
       bondedto (attr store1 < 33.4218908686  and attr store1 > 32.6218908686 ))) 
6 0.1 0.1 peak 872 volume 29.58634 ppm1 3.257 ppm2 3.158
 
! ############### c13noe.873 folded +
assi (attr store1 < 1.506 and attr store1 > 1.406 )
     ((attr store1 < 1.224 and attr store1 > 1.164 ) and 
      (bondedto (attr store1 < 128.817109131  and attr store1 > 128.017109131 ) or 
       bondedto (attr store1 < 81.093  and attr store1 > 80.293 ) or 
       bondedto (attr store1 < 33.3688908686  and attr store1 > 32.5688908686 ))) 
6 0.1 0.1 peak 873 volume 17.28784 ppm1 1.194 ppm2 1.456
 
! ############### c13noe.874 folded +
assi (attr store1 < 1.507 and attr store1 > 1.407 )
     ((attr store1 < 0.905 and attr store1 > 0.845 ) and 
      (bondedto (attr store1 < 128.824109131  and attr store1 > 128.024109131 ) or 
       bondedto (attr store1 < 81.1  and attr store1 > 80.3 ) or 
       bondedto (attr store1 < 33.3758908686  and attr store1 > 32.5758908686 ))) 
6 0.1 0.1 peak 874 volume 9.82504 ppm1 0.875 ppm2 1.457
 
! ############### c13noe.875 folded -
assi (attr store1 < 8.496 and attr store1 > 8.396 )
     ((attr store1 < 4.486 and attr store1 > 4.426 ) and 
      (bondedto (attr store1 < 104.995054566  and attr store1 > 104.195054566 ) or 
       bondedto (attr store1 < 152.719163697  and attr store1 > 151.919163697) or 
       bondedto (attr store1 < 57.2709454343  and attr store1 > 56.4709454343 ))) 
6 0.1 0.1 peak 875 volume 20.86538 ppm1 4.456 ppm2 8.446
 
! ############### c13noe.876 folded -
assi (attr store1 < 1.913 and attr store1 > 1.813 )
     ((attr store1 < 4.486 and attr store1 > 4.426 ) and 
      (bondedto (attr store1 < 105.013054566  and attr store1 > 104.213054566 ) or 
       bondedto (attr store1 < 152.737163697  and attr store1 > 151.937163697) or 
       bondedto (attr store1 < 57.2889454343  and attr store1 > 56.4889454343 ))) 
6 0.1 0.1 peak 876 volume 13.11217 ppm1 4.456 ppm2 1.863
 
! ############### c13noe.877 folded -
assi (attr store1 < 0.96 and attr store1 > 0.86 )
     ((attr store1 < 4.489 and attr store1 > 4.429 ) and 
      (bondedto (attr store1 < 105.005054566  and attr store1 > 104.205054566 ) or 
       bondedto (attr store1 < 152.729163697  and attr store1 > 151.929163697) or 
       bondedto (attr store1 < 57.2809454343  and attr store1 > 56.4809454343 ))) 
6 0.1 0.1 peak 877 volume 13.76866 ppm1 4.459 ppm2 0.910
 
! ############### c13noe.878 folded -
assi (attr store1 < 3.111 and attr store1 > 3.011 )
     ((attr store1 < 4.482 and attr store1 > 4.422 ) and 
      (bondedto (attr store1 < 105.027054566  and attr store1 > 104.227054566 ) or 
       bondedto (attr store1 < 152.751163697  and attr store1 > 151.951163697) or 
       bondedto (attr store1 < 57.3029454343  and attr store1 > 56.5029454343 ))) 
6 0.1 0.1 peak 878 volume 20.97355 ppm1 4.452 ppm2 3.061
 
! ############### c13noe.879 folded -
assi (attr store1 < 2.96 and attr store1 > 2.86 )
     ((attr store1 < 4.477 and attr store1 > 4.417 ) and 
      (bondedto (attr store1 < 104.968054566  and attr store1 > 104.168054566 ) or 
       bondedto (attr store1 < 152.692163697  and attr store1 > 151.892163697) or 
       bondedto (attr store1 < 57.2439454343  and attr store1 > 56.4439454343 ))) 
6 0.1 0.1 peak 879 volume 24.49465 ppm1 4.447 ppm2 2.910
 
! ############### c13noe.880 folded +
assi (attr store1 < 3.889 and attr store1 > 3.789 )
     ((attr store1 < 3.694 and attr store1 > 3.634 ) and 
      (bondedto (attr store1 < 128.803109131  and attr store1 > 128.003109131 ) or 
       bondedto (attr store1 < 81.079  and attr store1 > 80.279 ) or 
       bondedto (attr store1 < 33.3548908686  and attr store1 > 32.5548908686 ))) 
6 0.1 0.1 peak 880 volume 10.94784 ppm1 3.664 ppm2 3.839
 
! ############### c13noe.881 folded +
assi (attr store1 < 3.297 and attr store1 > 3.197 )
     ((attr store1 < 3.194 and attr store1 > 3.134 ) and 
      (bondedto (attr store1 < 128.810109131  and attr store1 > 128.010109131 ) or 
       bondedto (attr store1 < 81.086  and attr store1 > 80.286 ) or 
       bondedto (attr store1 < 33.3618908686  and attr store1 > 32.5618908686 ))) 
6 0.1 0.1 peak 881 volume 29.99818 ppm1 3.164 ppm2 3.247
 
! ############### c13noe.882 folded +
assi (attr store1 < 1.786 and attr store1 > 1.686 )
     ((attr store1 < 1.864 and attr store1 > 1.804 ) and 
      (bondedto (attr store1 < 128.725109131  and attr store1 > 127.925109131 ) or 
       bondedto (attr store1 < 81.001  and attr store1 > 80.201 ) or 
       bondedto (attr store1 < 33.2768908686  and attr store1 > 32.4768908686 ))) 
6 0.1 0.1 peak 882 volume 60.35975 ppm1 1.834 ppm2 1.736
 
! ############### c13noe.883 folded +
assi (attr store1 < 2.097 and attr store1 > 1.997 )
     ((attr store1 < 1.814 and attr store1 > 1.754 ) and 
      (bondedto (attr store1 < 128.779109131  and attr store1 > 127.979109131 ) or 
       bondedto (attr store1 < 81.055  and attr store1 > 80.255 ) or 
       bondedto (attr store1 < 33.3308908686  and attr store1 > 32.5308908686 ))) 
6 0.1 0.1 peak 883 volume 23.06032 ppm1 1.784 ppm2 2.047
 
! ############### c13noe.884 folded +
assi (attr store1 < 1.245 and attr store1 > 1.145 )
     ((attr store1 < 1.484 and attr store1 > 1.424 ) and 
      (bondedto (attr store1 < 128.795109131  and attr store1 > 127.995109131 ) or 
       bondedto (attr store1 < 81.071  and attr store1 > 80.271 ) or 
       bondedto (attr store1 < 33.3468908686  and attr store1 > 32.5468908686 ))) 
6 0.1 0.1 peak 884 volume 16.74289 ppm1 1.454 ppm2 1.195
 
! ############### c13noe.885 folded -
assi (attr store1 < 1.778 and attr store1 > 1.678 )
     ((attr store1 < 4.486 and attr store1 > 4.426 ) and 
      (bondedto (attr store1 < 104.921054566  and attr store1 > 104.121054566 ) or 
       bondedto (attr store1 < 152.645163697  and attr store1 > 151.845163697) or 
       bondedto (attr store1 < 57.1969454343  and attr store1 > 56.3969454343 ))) 
6 0.1 0.1 peak 885 volume 14.12175 ppm1 4.456 ppm2 1.728
 
! ############### c13noe.886 folded +
assi (attr store1 < 2.013 and attr store1 > 1.913 )
     ((attr store1 < 2.982 and attr store1 > 2.922 ) and 
      (bondedto (attr store1 < 128.666109131  and attr store1 > 127.866109131 ) or 
       bondedto (attr store1 < 80.942  and attr store1 > 80.142 ) or 
       bondedto (attr store1 < 33.2178908686  and attr store1 > 32.4178908686 ))) 
6 0.1 0.1 peak 886 volume 10.32091 ppm1 2.952 ppm2 1.963
 
! ############### c13noe.887 folded +
assi (attr store1 < 2.726 and attr store1 > 2.626 )
     ((attr store1 < 2.977 and attr store1 > 2.917 ) and 
      (bondedto (attr store1 < 128.658109131  and attr store1 > 127.858109131 ) or 
       bondedto (attr store1 < 80.934  and attr store1 > 80.134 ) or 
       bondedto (attr store1 < 33.2098908686  and attr store1 > 32.4098908686 ))) 
6 0.1 0.1 peak 887 volume 33.77503 ppm1 2.947 ppm2 2.676
 
! ############### c13noe.888 folded +
assi (attr store1 < 2.408 and attr store1 > 2.308 )
     ((attr store1 < 2.975 and attr store1 > 2.915 ) and 
      (bondedto (attr store1 < 128.671109131  and attr store1 > 127.871109131 ) or 
       bondedto (attr store1 < 80.947  and attr store1 > 80.147 ) or 
       bondedto (attr store1 < 33.2228908686  and attr store1 > 32.4228908686 ))) 
6 0.1 0.1 peak 888 volume 10.80356 ppm1 2.945 ppm2 2.358
 
! ############### c13noe.889 folded +
assi (attr store1 < 2.102 and attr store1 > 2.002 )
     ((attr store1 < 2.975 and attr store1 > 2.915 ) and 
      (bondedto (attr store1 < 128.651109131  and attr store1 > 127.851109131 ) or 
       bondedto (attr store1 < 80.927  and attr store1 > 80.127 ) or 
       bondedto (attr store1 < 33.2028908686  and attr store1 > 32.4028908686 ))) 
6 0.1 0.1 peak 889 volume 13.69331 ppm1 2.945 ppm2 2.052
 
! ############### c13noe.890 folded +
assi (attr store1 < 7.206 and attr store1 > 7.106 )
     ((attr store1 < 2.707 and attr store1 > 2.647 ) and 
      (bondedto (attr store1 < 128.662109131  and attr store1 > 127.862109131 ) or 
       bondedto (attr store1 < 80.938  and attr store1 > 80.138 ) or 
       bondedto (attr store1 < 33.2138908686  and attr store1 > 32.4138908686 ))) 
6 0.1 0.1 peak 890 volume 9.68709 ppm1 2.677 ppm2 7.156
 
! ############### c13noe.891 folded +
assi (attr store1 < 2.098 and attr store1 > 1.998 )
     ((attr store1 < 2.707 and attr store1 > 2.647 ) and 
      (bondedto (attr store1 < 128.655109131  and attr store1 > 127.855109131 ) or 
       bondedto (attr store1 < 80.931  and attr store1 > 80.131 ) or 
       bondedto (attr store1 < 33.2068908686  and attr store1 > 32.4068908686 ))) 
6 0.1 0.1 peak 891 volume 15.44736 ppm1 2.677 ppm2 2.048
 
! ############### c13noe.892 folded +
assi (attr store1 < 2.015 and attr store1 > 1.915 )
     ((attr store1 < 2.706 and attr store1 > 2.646 ) and 
      (bondedto (attr store1 < 128.659109131  and attr store1 > 127.859109131 ) or 
       bondedto (attr store1 < 80.935  and attr store1 > 80.135 ) or 
       bondedto (attr store1 < 33.2108908686  and attr store1 > 32.4108908686 ))) 
6 0.1 0.1 peak 892 volume 12.38969 ppm1 2.676 ppm2 1.965
 
! ############### c13noe.893 folded +
assi (attr store1 < 8.419 and attr store1 > 8.319 )
     ((attr store1 < 2.079 and attr store1 > 2.019 ) and 
      (bondedto (attr store1 < 128.684109131  and attr store1 > 127.884109131 ) or 
       bondedto (attr store1 < 80.96  and attr store1 > 80.16 ) or 
       bondedto (attr store1 < 33.2358908686  and attr store1 > 32.4358908686 ))) 
6 0.1 0.1 peak 893 volume 12.12688 ppm1 2.049 ppm2 8.369
 
! ############### c13noe.894 folded +
assi (attr store1 < 8.638 and attr store1 > 8.538 )
     ((attr store1 < 1.865 and attr store1 > 1.805 ) and 
      (bondedto (attr store1 < 128.687109131  and attr store1 > 127.887109131 ) or 
       bondedto (attr store1 < 80.963  and attr store1 > 80.163 ) or 
       bondedto (attr store1 < 33.2388908686  and attr store1 > 32.4388908686 ))) 
6 0.1 0.1 peak 894 volume 30.74053 ppm1 1.835 ppm2 8.588
 
! ############### c13noe.895 folded +
assi (attr store1 < 8.044 and attr store1 > 7.944 )
     ((attr store1 < 1.865 and attr store1 > 1.805 ) and 
      (bondedto (attr store1 < 128.692109131  and attr store1 > 127.892109131 ) or 
       bondedto (attr store1 < 80.968  and attr store1 > 80.168 ) or 
       bondedto (attr store1 < 33.2438908686  and attr store1 > 32.4438908686 ))) 
6 0.1 0.1 peak 895 volume 14.06014 ppm1 1.835 ppm2 7.994
 
! ############### c13noe.896 folded +
assi (attr store1 < 1.168 and attr store1 > 1.068 )
     ((attr store1 < 1.865 and attr store1 > 1.805 ) and 
      (bondedto (attr store1 < 128.665109131  and attr store1 > 127.865109131 ) or 
       bondedto (attr store1 < 80.941  and attr store1 > 80.141 ) or 
       bondedto (attr store1 < 33.2168908686  and attr store1 > 32.4168908686 ))) 
6 0.1 0.1 peak 896 volume 44.49292 ppm1 1.835 ppm2 1.118
 
! ############### c13noe.897 folded +
assi (attr store1 < 4.782 and attr store1 > 4.682 )
     ((attr store1 < 1.859 and attr store1 > 1.799 ) and 
      (bondedto (attr store1 < 128.698109131  and attr store1 > 127.898109131 ) or 
       bondedto (attr store1 < 80.974  and attr store1 > 80.174 ) or 
       bondedto (attr store1 < 33.2498908686  and attr store1 > 32.4498908686 ))) 
6 0.1 0.1 peak 897 volume 9.36589 ppm1 1.829 ppm2 4.732
 
! ############### c13noe.898 folded +
assi (attr store1 < 4.169 and attr store1 > 4.069 )
     ((attr store1 < 1.862 and attr store1 > 1.802 ) and 
      (bondedto (attr store1 < 128.677109131  and attr store1 > 127.877109131 ) or 
       bondedto (attr store1 < 80.953  and attr store1 > 80.153 ) or 
       bondedto (attr store1 < 33.2288908686  and attr store1 > 32.4288908686 ))) 
6 0.1 0.1 peak 898 volume 44.13046 ppm1 1.832 ppm2 4.119
 
! ############### c13noe.899 folded +
assi (attr store1 < 3.07 and attr store1 > 2.97 )
     ((attr store1 < 1.86 and attr store1 > 1.8 ) and 
      (bondedto (attr store1 < 128.653109131  and attr store1 > 127.853109131 ) or 
       bondedto (attr store1 < 80.929  and attr store1 > 80.129 ) or 
       bondedto (attr store1 < 33.2048908686  and attr store1 > 32.4048908686 ))) 
6 0.1 0.1 peak 899 volume 13.32570 ppm1 1.830 ppm2 3.020
 
! ############### c13noe.900 folded +
assi (attr store1 < 1.658 and attr store1 > 1.558 )
     ((attr store1 < 1.864 and attr store1 > 1.804 ) and 
      (bondedto (attr store1 < 128.665109131  and attr store1 > 127.865109131 ) or 
       bondedto (attr store1 < 80.941  and attr store1 > 80.141 ) or 
       bondedto (attr store1 < 33.2168908686  and attr store1 > 32.4168908686 ))) 
6 0.1 0.1 peak 900 volume 48.81041 ppm1 1.834 ppm2 1.608
 
! ############### c13noe.901 folded +
assi (attr store1 < 1.59 and attr store1 > 1.49 )
     ((attr store1 < 1.863 and attr store1 > 1.803 ) and 
      (bondedto (attr store1 < 128.662109131  and attr store1 > 127.862109131 ) or 
       bondedto (attr store1 < 80.938  and attr store1 > 80.138 ) or 
       bondedto (attr store1 < 33.2138908686  and attr store1 > 32.4138908686 ))) 
6 0.1 0.1 peak 901 volume 39.02166 ppm1 1.833 ppm2 1.540
 
! ############### c13noe.902 folded +
assi (attr store1 < 0.999 and attr store1 > 0.899 )
     ((attr store1 < 1.862 and attr store1 > 1.802 ) and 
      (bondedto (attr store1 < 128.665109131  and attr store1 > 127.865109131 ) or 
       bondedto (attr store1 < 80.941  and attr store1 > 80.141 ) or 
       bondedto (attr store1 < 33.2168908686  and attr store1 > 32.4168908686 ))) 
6 0.1 0.1 peak 902 volume 14.15521 ppm1 1.832 ppm2 0.949
 
! ############### c13noe.903 folded +
assi (attr store1 < 1.574 and attr store1 > 1.474 )
     ((attr store1 < 1.812 and attr store1 > 1.752 ) and 
      (bondedto (attr store1 < 128.655109131  and attr store1 > 127.855109131 ) or 
       bondedto (attr store1 < 80.931  and attr store1 > 80.131 ) or 
       bondedto (attr store1 < 33.2068908686  and attr store1 > 32.4068908686 ))) 
6 0.1 0.1 peak 903 volume 7.30489 ppm1 1.782 ppm2 1.524
 
! ############### c13noe.904 folded +
assi (attr store1 < 1.883 and attr store1 > 1.783 )
     ((attr store1 < 1.633 and attr store1 > 1.573 ) and 
      (bondedto (attr store1 < 128.666109131  and attr store1 > 127.866109131 ) or 
       bondedto (attr store1 < 80.942  and attr store1 > 80.142 ) or 
       bondedto (attr store1 < 33.2178908686  and attr store1 > 32.4178908686 ))) 
6 0.1 0.1 peak 904 volume 9.54134 ppm1 1.603 ppm2 1.833
 
! ############### c13noe.905 folded +
assi (attr store1 < 1.88 and attr store1 > 1.78 )
     ((attr store1 < 1.571 and attr store1 > 1.511 ) and 
      (bondedto (attr store1 < 128.652109131  and attr store1 > 127.852109131 ) or 
       bondedto (attr store1 < 80.928  and attr store1 > 80.128 ) or 
       bondedto (attr store1 < 33.2038908686  and attr store1 > 32.4038908686 ))) 
6 0.1 0.1 peak 905 volume 9.89810 ppm1 1.541 ppm2 1.830
 
! ############### c13noe.906 folded -
assi (attr store1 < 2.367 and attr store1 > 2.267 )
     ((attr store1 < 1.998 and attr store1 > 1.938 ) and 
      (bondedto (attr store1 < 104.790054566  and attr store1 > 103.990054566 ) or 
       bondedto (attr store1 < 152.514163697  and attr store1 > 151.714163697) or 
       bondedto (attr store1 < 57.0659454343  and attr store1 > 56.2659454343 ))) 
6 0.1 0.1 peak 906 volume 27.64954 ppm1 1.968 ppm2 2.317
 
! ############### c13noe.907 folded -
assi (attr store1 < 2.359 and attr store1 > 2.259 )
     ((attr store1 < 1.959 and attr store1 > 1.899 ) and 
      (bondedto (attr store1 < 104.771054566  and attr store1 > 103.971054566 ) or 
       bondedto (attr store1 < 152.495163697  and attr store1 > 151.695163697) or 
       bondedto (attr store1 < 57.0469454343  and attr store1 > 56.2469454343 ))) 
6 0.1 0.1 peak 907 volume 22.33762 ppm1 1.929 ppm2 2.309
 
! ############### c13noe.908 folded -
assi (attr store1 < 1.99 and attr store1 > 1.89 )
     ((attr store1 < 1.953 and attr store1 > 1.893 ) and 
      (bondedto (attr store1 < 104.795054566  and attr store1 > 103.995054566 ) or 
       bondedto (attr store1 < 152.519163697  and attr store1 > 151.719163697) or 
       bondedto (attr store1 < 57.0709454343  and attr store1 > 56.2709454343 ))) 
6 0.1 0.1 peak 908 volume 7.82848 ppm1 1.923 ppm2 1.940
 
! ############### c13noe.909 folded +
assi (attr store1 < 7.21 and attr store1 > 7.11 )
     ((attr store1 < 2.984 and attr store1 > 2.924 ) and 
      (bondedto (attr store1 < 128.619109131  and attr store1 > 127.819109131 ) or 
       bondedto (attr store1 < 80.895  and attr store1 > 80.095 ) or 
       bondedto (attr store1 < 33.1708908686  and attr store1 > 32.3708908686 ))) 
6 0.1 0.1 peak 909 volume 9.39036 ppm1 2.954 ppm2 7.160
 
! ############### c13noe.910 folded +
assi (attr store1 < 4.156 and attr store1 > 4.056 )
     ((attr store1 < 2.081 and attr store1 > 2.021 ) and 
      (bondedto (attr store1 < 128.537109131  and attr store1 > 127.737109131 ) or 
       bondedto (attr store1 < 80.813  and attr store1 > 80.013 ) or 
       bondedto (attr store1 < 33.0888908686  and attr store1 > 32.2888908686 ))) 
6 0.1 0.1 peak 910 volume 14.50421 ppm1 2.051 ppm2 4.106
 
! ############### c13noe.911 folded -
assi (attr store1 < 2.365 and attr store1 > 2.265 )
     ((attr store1 < 4.471 and attr store1 > 4.411 ) and 
      (bondedto (attr store1 < 104.713054566  and attr store1 > 103.913054566 ) or 
       bondedto (attr store1 < 152.437163697  and attr store1 > 151.637163697) or 
       bondedto (attr store1 < 56.9889454343  and attr store1 > 56.1889454343 ))) 
6 0.1 0.1 peak 911 volume 16.35014 ppm1 4.441 ppm2 2.315
 
! ############### c13noe.912 folded -
assi (attr store1 < 3.896 and attr store1 > 3.796 )
     ((attr store1 < 3.94 and attr store1 > 3.88 ) and 
      (bondedto (attr store1 < 104.734054566  and attr store1 > 103.934054566 ) or 
       bondedto (attr store1 < 152.458163697  and attr store1 > 151.658163697) or 
       bondedto (attr store1 < 57.0099454343  and attr store1 > 56.2099454343 ))) 
6 0.1 0.1 peak 912 volume 32.00364 ppm1 3.910 ppm2 3.846
 
! ############### c13noe.913 folded -
assi (attr store1 < 3.959 and attr store1 > 3.859 )
     ((attr store1 < 3.873 and attr store1 > 3.813 ) and 
      (bondedto (attr store1 < 104.751054566  and attr store1 > 103.951054566 ) or 
       bondedto (attr store1 < 152.475163697  and attr store1 > 151.675163697) or 
       bondedto (attr store1 < 57.0269454343  and attr store1 > 56.2269454343 ))) 
6 0.1 0.1 peak 913 volume 40.1139 ppm1 3.843 ppm2 3.909
 
! ############### c13noe.914 folded -
assi (attr store1 < 3.91 and attr store1 > 3.81 )
     ((attr store1 < 3.805 and attr store1 > 3.745 ) and 
      (bondedto (attr store1 < 104.625054566  and attr store1 > 103.825054566 ) or 
       bondedto (attr store1 < 152.349163697  and attr store1 > 151.549163697) or 
       bondedto (attr store1 < 56.9009454343  and attr store1 > 56.1009454343 ))) 
6 0.1 0.1 peak 914 volume 14.17389 ppm1 3.775 ppm2 3.860
 
! ############### c13noe.915 folded +
assi (attr store1 < 8.416 and attr store1 > 8.316 )
     ((attr store1 < 2.837 and attr store1 > 2.777 ) and 
      (bondedto (attr store1 < 128.395109131  and attr store1 > 127.595109131 ) or 
       bondedto (attr store1 < 80.671  and attr store1 > 79.871 ) or 
       bondedto (attr store1 < 32.9468908686  and attr store1 > 32.1468908686 ))) 
6 0.1 0.1 peak 915 volume 35.18140 ppm1 2.807 ppm2 8.366
 
! ############### c13noe.916 folded +
assi (attr store1 < 7.847 and attr store1 > 7.747 )
     ((attr store1 < 2.831 and attr store1 > 2.771 ) and 
      (bondedto (attr store1 < 128.379109131  and attr store1 > 127.579109131 ) or 
       bondedto (attr store1 < 80.655  and attr store1 > 79.855 ) or 
       bondedto (attr store1 < 32.9308908686  and attr store1 > 32.1308908686 ))) 
6 0.1 0.1 peak 916 volume 10.44842 ppm1 2.801 ppm2 7.797
 
! ############### c13noe.917 folded +
assi (attr store1 < 4.31 and attr store1 > 4.21 )
     ((attr store1 < 2.835 and attr store1 > 2.775 ) and 
      (bondedto (attr store1 < 128.396109131  and attr store1 > 127.596109131 ) or 
       bondedto (attr store1 < 80.672  and attr store1 > 79.872 ) or 
       bondedto (attr store1 < 32.9478908686  and attr store1 > 32.1478908686 ))) 
6 0.1 0.1 peak 917 volume 30.87031 ppm1 2.805 ppm2 4.260
 
! ############### c13noe.918 folded +
assi (attr store1 < 4.158 and attr store1 > 4.058 )
     ((attr store1 < 2.833 and attr store1 > 2.773 ) and 
      (bondedto (attr store1 < 128.395109131  and attr store1 > 127.595109131 ) or 
       bondedto (attr store1 < 80.671  and attr store1 > 79.871 ) or 
       bondedto (attr store1 < 32.9468908686  and attr store1 > 32.1468908686 ))) 
6 0.1 0.1 peak 918 volume 16.64671 ppm1 2.803 ppm2 4.108
 
! ############### c13noe.919 folded +
assi (attr store1 < 2.768 and attr store1 > 2.668 )
     ((attr store1 < 2.832 and attr store1 > 2.772 ) and 
      (bondedto (attr store1 < 128.408109131  and attr store1 > 127.608109131 ) or 
       bondedto (attr store1 < 80.684  and attr store1 > 79.884 ) or 
       bondedto (attr store1 < 32.9598908686  and attr store1 > 32.1598908686 ))) 
6 0.1 0.1 peak 919 volume 291.58801 ppm1 2.802 ppm2 2.718
 
! ############### c13noe.920 folded +
assi (attr store1 < 1.822 and attr store1 > 1.722 )
     ((attr store1 < 2.832 and attr store1 > 2.772 ) and 
      (bondedto (attr store1 < 128.396109131  and attr store1 > 127.596109131 ) or 
       bondedto (attr store1 < 80.672  and attr store1 > 79.872 ) or 
       bondedto (attr store1 < 32.9478908686  and attr store1 > 32.1478908686 ))) 
6 0.1 0.1 peak 920 volume 10.07718 ppm1 2.802 ppm2 1.772
 
! ############### c13noe.921 folded +
assi (attr store1 < 1.743 and attr store1 > 1.643 )
     ((attr store1 < 2.833 and attr store1 > 2.773 ) and 
      (bondedto (attr store1 < 128.416109131  and attr store1 > 127.616109131 ) or 
       bondedto (attr store1 < 80.692  and attr store1 > 79.892 ) or 
       bondedto (attr store1 < 32.9678908686  and attr store1 > 32.1678908686 ))) 
6 0.1 0.1 peak 921 volume 10.21578 ppm1 2.803 ppm2 1.693
 
! ############### c13noe.922 folded +
assi (attr store1 < 2.288 and attr store1 > 2.188 )
     ((attr store1 < 2.83 and attr store1 > 2.77 ) and 
      (bondedto (attr store1 < 128.392109131  and attr store1 > 127.592109131 ) or 
       bondedto (attr store1 < 80.668  and attr store1 > 79.868 ) or 
       bondedto (attr store1 < 32.9438908686  and attr store1 > 32.1438908686 ))) 
6 0.1 0.1 peak 922 volume 70.24737 ppm1 2.800 ppm2 2.238
 
! ############### c13noe.923 folded +
assi (attr store1 < 2.218 and attr store1 > 2.118 )
     ((attr store1 < 2.83 and attr store1 > 2.77 ) and 
      (bondedto (attr store1 < 128.392109131  and attr store1 > 127.592109131 ) or 
       bondedto (attr store1 < 80.668  and attr store1 > 79.868 ) or 
       bondedto (attr store1 < 32.9438908686  and attr store1 > 32.1438908686 ))) 
6 0.1 0.1 peak 923 volume 75.15616 ppm1 2.800 ppm2 2.168
 
! ############### c13noe.924 folded +
assi (attr store1 < 1.109 and attr store1 > 1.009 )
     ((attr store1 < 2.762 and attr store1 > 2.702 ) and 
      (bondedto (attr store1 < 128.371109131  and attr store1 > 127.571109131 ) or 
       bondedto (attr store1 < 80.647  and attr store1 > 79.847 ) or 
       bondedto (attr store1 < 32.9228908686  and attr store1 > 32.1228908686 ))) 
6 0.1 0.1 peak 924 volume 8.36315 ppm1 2.732 ppm2 1.059
 
! ############### c13noe.925 folded +
assi (attr store1 < 3.961 and attr store1 > 3.861 )
     ((attr store1 < 2.753 and attr store1 > 2.693 ) and 
      (bondedto (attr store1 < 128.378109131  and attr store1 > 127.578109131 ) or 
       bondedto (attr store1 < 80.654  and attr store1 > 79.854 ) or 
       bondedto (attr store1 < 32.9298908686  and attr store1 > 32.1298908686 ))) 
6 0.1 0.1 peak 925 volume 8.87478 ppm1 2.723 ppm2 3.911
 
! ############### c13noe.926 folded +
assi (attr store1 < 0.961 and attr store1 > 0.861 )
     ((attr store1 < 2.75 and attr store1 > 2.69 ) and 
      (bondedto (attr store1 < 128.391109131  and attr store1 > 127.591109131 ) or 
       bondedto (attr store1 < 80.667  and attr store1 > 79.867 ) or 
       bondedto (attr store1 < 32.9428908686  and attr store1 > 32.1428908686 ))) 
6 0.1 0.1 peak 926 volume 7.30158 ppm1 2.720 ppm2 0.911
 
! ############### c13noe.927 folded +
assi (attr store1 < 7.848 and attr store1 > 7.748 )
     ((attr store1 < 2.744 and attr store1 > 2.684 ) and 
      (bondedto (attr store1 < 128.381109131  and attr store1 > 127.581109131 ) or 
       bondedto (attr store1 < 80.657  and attr store1 > 79.857 ) or 
       bondedto (attr store1 < 32.9328908686  and attr store1 > 32.1328908686 ))) 
6 0.1 0.1 peak 927 volume 9.62218 ppm1 2.714 ppm2 7.798
 
! ############### c13noe.928 folded +
assi (attr store1 < 4.157 and attr store1 > 4.057 )
     ((attr store1 < 2.743 and attr store1 > 2.683 ) and 
      (bondedto (attr store1 < 128.396109131  and attr store1 > 127.596109131 ) or 
       bondedto (attr store1 < 80.672  and attr store1 > 79.872 ) or 
       bondedto (attr store1 < 32.9478908686  and attr store1 > 32.1478908686 ))) 
6 0.1 0.1 peak 928 volume 16.22766 ppm1 2.713 ppm2 4.107
 
! ############### c13noe.929 folded +
assi (attr store1 < 2.848 and attr store1 > 2.748 )
     ((attr store1 < 2.743 and attr store1 > 2.683 ) and 
      (bondedto (attr store1 < 128.419109131  and attr store1 > 127.619109131 ) or 
       bondedto (attr store1 < 80.695  and attr store1 > 79.895 ) or 
       bondedto (attr store1 < 32.9708908686  and attr store1 > 32.1708908686 ))) 
6 0.1 0.1 peak 929 volume 291.81290 ppm1 2.713 ppm2 2.798
 
! ############### c13noe.930 folded +
assi (attr store1 < 2.087 and attr store1 > 1.987 )
     ((attr store1 < 2.744 and attr store1 > 2.684 ) and 
      (bondedto (attr store1 < 128.385109131  and attr store1 > 127.585109131 ) or 
       bondedto (attr store1 < 80.661  and attr store1 > 79.861 ) or 
       bondedto (attr store1 < 32.9368908686  and attr store1 > 32.1368908686 ))) 
6 0.1 0.1 peak 930 volume 18.82762 ppm1 2.714 ppm2 2.037
 
! ############### c13noe.931 folded +
assi (attr store1 < 1.802 and attr store1 > 1.702 )
     ((attr store1 < 2.745 and attr store1 > 2.685 ) and 
      (bondedto (attr store1 < 128.403109131  and attr store1 > 127.603109131 ) or 
       bondedto (attr store1 < 80.679  and attr store1 > 79.879 ) or 
       bondedto (attr store1 < 32.9548908686  and attr store1 > 32.1548908686 ))) 
6 0.1 0.1 peak 931 volume 12.91741 ppm1 2.715 ppm2 1.752
 
! ############### c13noe.932 folded +
assi (attr store1 < 1.722 and attr store1 > 1.622 )
     ((attr store1 < 2.745 and attr store1 > 2.685 ) and 
      (bondedto (attr store1 < 128.393109131  and attr store1 > 127.593109131 ) or 
       bondedto (attr store1 < 80.669  and attr store1 > 79.869 ) or 
       bondedto (attr store1 < 32.9448908686  and attr store1 > 32.1448908686 ))) 
6 0.1 0.1 peak 932 volume 12.36567 ppm1 2.715 ppm2 1.672
 
! ############### c13noe.933 folded +
assi (attr store1 < 8.418 and attr store1 > 8.318 )
     ((attr store1 < 2.743 and attr store1 > 2.683 ) and 
      (bondedto (attr store1 < 128.389109131  and attr store1 > 127.589109131 ) or 
       bondedto (attr store1 < 80.665  and attr store1 > 79.865 ) or 
       bondedto (attr store1 < 32.9408908686  and attr store1 > 32.1408908686 ))) 
6 0.1 0.1 peak 933 volume 30.54877 ppm1 2.713 ppm2 8.368
 
! ############### c13noe.934 folded +
assi (attr store1 < 4.31 and attr store1 > 4.21 )
     ((attr store1 < 2.741 and attr store1 > 2.681 ) and 
      (bondedto (attr store1 < 128.406109131  and attr store1 > 127.606109131 ) or 
       bondedto (attr store1 < 80.682  and attr store1 > 79.882 ) or 
       bondedto (attr store1 < 32.9578908686  and attr store1 > 32.1578908686 ))) 
6 0.1 0.1 peak 934 volume 32.36955 ppm1 2.711 ppm2 4.260
 
! ############### c13noe.935 folded +
assi (attr store1 < 2.295 and attr store1 > 2.195 )
     ((attr store1 < 2.742 and attr store1 > 2.682 ) and 
      (bondedto (attr store1 < 128.388109131  and attr store1 > 127.588109131 ) or 
       bondedto (attr store1 < 80.664  and attr store1 > 79.864 ) or 
       bondedto (attr store1 < 32.9398908686  and attr store1 > 32.1398908686 ))) 
6 0.1 0.1 peak 935 volume 66.03647 ppm1 2.712 ppm2 2.245
 
! ############### c13noe.936 folded +
assi (attr store1 < 2.223 and attr store1 > 2.123 )
     ((attr store1 < 2.742 and attr store1 > 2.682 ) and 
      (bondedto (attr store1 < 128.395109131  and attr store1 > 127.595109131 ) or 
       bondedto (attr store1 < 80.671  and attr store1 > 79.871 ) or 
       bondedto (attr store1 < 32.9468908686  and attr store1 > 32.1468908686 ))) 
6 0.1 0.1 peak 936 volume 67.35479 ppm1 2.712 ppm2 2.173
 
! ############### c13noe.937 folded +
assi (attr store1 < 2.763 and attr store1 > 2.663 )
     ((attr store1 < 2.274 and attr store1 > 2.214 ) and 
      (bondedto (attr store1 < 128.364109131  and attr store1 > 127.564109131 ) or 
       bondedto (attr store1 < 80.64  and attr store1 > 79.84 ) or 
       bondedto (attr store1 < 32.9158908686  and attr store1 > 32.1158908686 ))) 
6 0.1 0.1 peak 937 volume 39.85458 ppm1 2.244 ppm2 2.713
 
! ############### c13noe.938 folded +
assi (attr store1 < 2.85 and attr store1 > 2.75 )
     ((attr store1 < 2.269 and attr store1 > 2.209 ) and 
      (bondedto (attr store1 < 128.376109131  and attr store1 > 127.576109131 ) or 
       bondedto (attr store1 < 80.652  and attr store1 > 79.852 ) or 
       bondedto (attr store1 < 32.9278908686  and attr store1 > 32.1278908686 ))) 
6 0.1 0.1 peak 938 volume 42.22056 ppm1 2.239 ppm2 2.800
 
! ############### c13noe.939 folded +
assi (attr store1 < 2.847 and attr store1 > 2.747 )
     ((attr store1 < 2.198 and attr store1 > 2.138 ) and 
      (bondedto (attr store1 < 128.366109131  and attr store1 > 127.566109131 ) or 
       bondedto (attr store1 < 80.642  and attr store1 > 79.842 ) or 
       bondedto (attr store1 < 32.9178908686  and attr store1 > 32.1178908686 ))) 
6 0.1 0.1 peak 939 volume 49.80362 ppm1 2.168 ppm2 2.797
 
! ############### c13noe.940 folded +
assi (attr store1 < 8.156 and attr store1 > 8.056 )
     ((attr store1 < 2.079 and attr store1 > 2.019 ) and 
      (bondedto (attr store1 < 128.393109131  and attr store1 > 127.593109131 ) or 
       bondedto (attr store1 < 80.669  and attr store1 > 79.869 ) or 
       bondedto (attr store1 < 32.9448908686  and attr store1 > 32.1448908686 ))) 
6 0.1 0.1 peak 940 volume 27.67291 ppm1 2.049 ppm2 8.106
 
! ############### c13noe.941 folded +
assi (attr store1 < 4.038 and attr store1 > 3.938 )
     ((attr store1 < 2.071 and attr store1 > 2.011 ) and 
      (bondedto (attr store1 < 128.359109131  and attr store1 > 127.559109131 ) or 
       bondedto (attr store1 < 80.635  and attr store1 > 79.835 ) or 
       bondedto (attr store1 < 32.9108908686  and attr store1 > 32.1108908686 ))) 
6 0.1 0.1 peak 941 volume 27.43656 ppm1 2.041 ppm2 3.988
 
! ############### c13noe.942 folded +
assi (attr store1 < 7.877 and attr store1 > 7.777 )
     ((attr store1 < 2.036 and attr store1 > 1.976 ) and 
      (bondedto (attr store1 < 128.395109131  and attr store1 > 127.595109131 ) or 
       bondedto (attr store1 < 80.671  and attr store1 > 79.871 ) or 
       bondedto (attr store1 < 32.9468908686  and attr store1 > 32.1468908686 ))) 
6 0.1 0.1 peak 942 volume 58.87149 ppm1 2.006 ppm2 7.827
 
! ############### c13noe.943 folded +
assi (attr store1 < 4.239 and attr store1 > 4.139 )
     ((attr store1 < 2.035 and attr store1 > 1.975 ) and 
      (bondedto (attr store1 < 128.376109131  and attr store1 > 127.576109131 ) or 
       bondedto (attr store1 < 80.652  and attr store1 > 79.852 ) or 
       bondedto (attr store1 < 32.9278908686  and attr store1 > 32.1278908686 ))) 
6 0.1 0.1 peak 943 volume 59.68767 ppm1 2.005 ppm2 4.189
 
! ############### c13noe.944 folded +
assi (attr store1 < 1.35 and attr store1 > 1.25 )
     ((attr store1 < 2.038 and attr store1 > 1.978 ) and 
      (bondedto (attr store1 < 128.401109131  and attr store1 > 127.601109131 ) or 
       bondedto (attr store1 < 80.677  and attr store1 > 79.877 ) or 
       bondedto (attr store1 < 32.9528908686  and attr store1 > 32.1528908686 ))) 
6 0.1 0.1 peak 944 volume 10.99015 ppm1 2.008 ppm2 1.300
 
! ############### c13noe.945 folded +
assi (attr store1 < 2.451 and attr store1 > 2.351 )
     ((attr store1 < 1.125 and attr store1 > 1.065 ) and 
      (bondedto (attr store1 < 128.353109131  and attr store1 > 127.553109131 ) or 
       bondedto (attr store1 < 80.629  and attr store1 > 79.829 ) or 
       bondedto (attr store1 < 32.9048908686  and attr store1 > 32.1048908686 ))) 
6 0.1 0.1 peak 945 volume 8.75200 ppm1 1.095 ppm2 2.401
 
! ############### c13noe.946 folded -
assi (attr store1 < 8.164 and attr store1 > 8.064 )
     ((attr store1 < 4.448 and attr store1 > 4.388 ) and 
      (bondedto (attr store1 < 104.500054566  and attr store1 > 103.700054566 ) or 
       bondedto (attr store1 < 152.224163697  and attr store1 > 151.424163697) or 
       bondedto (attr store1 < 56.7759454343  and attr store1 > 55.9759454343 ))) 
6 0.1 0.1 peak 946 volume 30.58343 ppm1 4.418 ppm2 8.114
 
! ############### c13noe.947 folded -
assi (attr store1 < 2.521 and attr store1 > 2.421 )
     ((attr store1 < 4.447 and attr store1 > 4.387 ) and 
      (bondedto (attr store1 < 104.520054566  and attr store1 > 103.720054566 ) or 
       bondedto (attr store1 < 152.244163697  and attr store1 > 151.444163697) or 
       bondedto (attr store1 < 56.7959454343  and attr store1 > 55.9959454343 ))) 
6 0.1 0.1 peak 947 volume 49.65455 ppm1 4.417 ppm2 2.471
 
! ############### c13noe.948 folded -
assi (attr store1 < 2.279 and attr store1 > 2.179 )
     ((attr store1 < 4.448 and attr store1 > 4.388 ) and 
      (bondedto (attr store1 < 104.521054566  and attr store1 > 103.721054566 ) or 
       bondedto (attr store1 < 152.245163697  and attr store1 > 151.445163697) or 
       bondedto (attr store1 < 56.7969454343  and attr store1 > 55.9969454343 ))) 
6 0.1 0.1 peak 948 volume 83.43859 ppm1 4.418 ppm2 2.229
 
! ############### c13noe.949 folded -
assi (attr store1 < 2.14 and attr store1 > 2.04 )
     ((attr store1 < 4.447 and attr store1 > 4.387 ) and 
      (bondedto (attr store1 < 104.526054566  and attr store1 > 103.726054566 ) or 
       bondedto (attr store1 < 152.250163697  and attr store1 > 151.450163697) or 
       bondedto (attr store1 < 56.8019454343  and attr store1 > 56.0019454343 ))) 
6 0.1 0.1 peak 949 volume 55.00718 ppm1 4.417 ppm2 2.090
 
! ############### c13noe.950 folded -
assi (attr store1 < 3.724 and attr store1 > 3.624 )
     ((attr store1 < 3.871 and attr store1 > 3.811 ) and 
      (bondedto (attr store1 < 104.535054566  and attr store1 > 103.735054566 ) or 
       bondedto (attr store1 < 152.259163697  and attr store1 > 151.459163697) or 
       bondedto (attr store1 < 56.8109454343  and attr store1 > 56.0109454343 ))) 
6 0.1 0.1 peak 950 volume 18.58739 ppm1 3.841 ppm2 3.674
 
! ############### c13noe.951 folded -
assi (attr store1 < 3.884 and attr store1 > 3.784 )
     ((attr store1 < 3.701 and attr store1 > 3.641 ) and 
      (bondedto (attr store1 < 104.541054566  and attr store1 > 103.741054566 ) or 
       bondedto (attr store1 < 152.265163697  and attr store1 > 151.465163697) or 
       bondedto (attr store1 < 56.8169454343  and attr store1 > 56.0169454343 ))) 
6 0.1 0.1 peak 951 volume 17.19179 ppm1 3.671 ppm2 3.834
 
! ############### c13noe.952 folded -
assi (attr store1 < 3.307 and attr store1 > 3.207 )
     ((attr store1 < 3.349 and attr store1 > 3.289 ) and 
      (bondedto (attr store1 < 104.557054566  and attr store1 > 103.757054566 ) or 
       bondedto (attr store1 < 152.281163697  and attr store1 > 151.481163697) or 
       bondedto (attr store1 < 56.8329454343  and attr store1 > 56.0329454343 ))) 
6 0.1 0.1 peak 952 volume 9.1718 ppm1 3.319 ppm2 3.257
 
! ############### c13noe.953 folded -
assi (attr store1 < 3.362 and attr store1 > 3.262 )
     ((attr store1 < 3.286 and attr store1 > 3.226 ) and 
      (bondedto (attr store1 < 104.533054566  and attr store1 > 103.733054566 ) or 
       bondedto (attr store1 < 152.257163697  and attr store1 > 151.457163697) or 
       bondedto (attr store1 < 56.8089454343  and attr store1 > 56.0089454343 ))) 
6 0.1 0.1 peak 953 volume 13.40322 ppm1 3.256 ppm2 3.312
 
! ############### c13noe.954 folded -
assi (attr store1 < 3.214 and attr store1 > 3.114 )
     ((attr store1 < 3.272 and attr store1 > 3.212 ) and 
      (bondedto (attr store1 < 104.530054566  and attr store1 > 103.730054566 ) or 
       bondedto (attr store1 < 152.254163697  and attr store1 > 151.454163697) or 
       bondedto (attr store1 < 56.8059454343  and attr store1 > 56.0059454343 ))) 
6 0.1 0.1 peak 954 volume 19.20541 ppm1 3.242 ppm2 3.164
 
! ############### c13noe.955 folded -
assi (attr store1 < 3.303 and attr store1 > 3.203 )
     ((attr store1 < 3.175 and attr store1 > 3.115 ) and 
      (bondedto (attr store1 < 104.496054566  and attr store1 > 103.696054566 ) or 
       bondedto (attr store1 < 152.220163697  and attr store1 > 151.420163697) or 
       bondedto (attr store1 < 56.7719454343  and attr store1 > 55.9719454343 ))) 
6 0.1 0.1 peak 955 volume 15.75203 ppm1 3.145 ppm2 3.253
 
! ############### c13noe.956 folded -
assi (attr store1 < 1.145 and attr store1 > 1.045 )
     ((attr store1 < 0.82 and attr store1 > 0.76 ) and 
      (bondedto (attr store1 < 104.547054566  and attr store1 > 103.747054566 ) or 
       bondedto (attr store1 < 152.271163697  and attr store1 > 151.471163697) or 
       bondedto (attr store1 < 56.8229454343  and attr store1 > 56.0229454343 ))) 
6 0.1 0.1 peak 956 volume 11.52697 ppm1 0.790 ppm2 1.095
 
! ############### c13noe.957 folded +
assi (attr store1 < 1.632 and attr store1 > 1.532 )
     ((attr store1 < 2.754 and attr store1 > 2.694 ) and 
      (bondedto (attr store1 < 128.317109131  and attr store1 > 127.517109131 ) or 
       bondedto (attr store1 < 80.593  and attr store1 > 79.793 ) or 
       bondedto (attr store1 < 32.8688908686  and attr store1 > 32.0688908686 ))) 
6 0.1 0.1 peak 957 volume 10.01751 ppm1 2.724 ppm2 1.582
 
! ############### c13noe.958 folded +
assi (attr store1 < 8.571 and attr store1 > 8.471 )
     ((attr store1 < 2.751 and attr store1 > 2.691 ) and 
      (bondedto (attr store1 < 128.314109131  and attr store1 > 127.514109131 ) or 
       bondedto (attr store1 < 80.59  and attr store1 > 79.79 ) or 
       bondedto (attr store1 < 32.8658908686  and attr store1 > 32.0658908686 ))) 
6 0.1 0.1 peak 958 volume 9.42497 ppm1 2.721 ppm2 8.521
 
! ############### c13noe.959 folded +
assi (attr store1 < 4.059 and attr store1 > 3.959 )
     ((attr store1 < 2.431 and attr store1 > 2.371 ) and 
      (bondedto (attr store1 < 128.269109131  and attr store1 > 127.469109131 ) or 
       bondedto (attr store1 < 80.545  and attr store1 > 79.745 ) or 
       bondedto (attr store1 < 32.8208908686  and attr store1 > 32.0208908686 ))) 
6 0.1 0.1 peak 959 volume 9.13657 ppm1 2.401 ppm2 4.009
 
! ############### c13noe.960 folded +
assi (attr store1 < 1.146 and attr store1 > 1.046 )
     ((attr store1 < 2.431 and attr store1 > 2.371 ) and 
      (bondedto (attr store1 < 128.282109131  and attr store1 > 127.482109131 ) or 
       bondedto (attr store1 < 80.558  and attr store1 > 79.758 ) or 
       bondedto (attr store1 < 32.8338908686  and attr store1 > 32.0338908686 ))) 
6 0.1 0.1 peak 960 volume 55.35761 ppm1 2.401 ppm2 1.096
 
! ############### c13noe.961 folded +
assi (attr store1 < 4.173 and attr store1 > 4.073 )
     ((attr store1 < 2.428 and attr store1 > 2.368 ) and 
      (bondedto (attr store1 < 128.274109131  and attr store1 > 127.474109131 ) or 
       bondedto (attr store1 < 80.55  and attr store1 > 79.75 ) or 
       bondedto (attr store1 < 32.8258908686  and attr store1 > 32.0258908686 ))) 
6 0.1 0.1 peak 961 volume 21.01148 ppm1 2.398 ppm2 4.123
 
! ############### c13noe.962 folded +
assi (attr store1 < 1.201 and attr store1 > 1.101 )
     ((attr store1 < 2.429 and attr store1 > 2.369 ) and 
      (bondedto (attr store1 < 128.267109131  and attr store1 > 127.467109131 ) or 
       bondedto (attr store1 < 80.543  and attr store1 > 79.743 ) or 
       bondedto (attr store1 < 32.8188908686  and attr store1 > 32.0188908686 ))) 
6 0.1 0.1 peak 962 volume 44.18275 ppm1 2.399 ppm2 1.151
 
! ############### c13noe.963 folded +
assi (attr store1 < 8.571 and attr store1 > 8.471 )
     ((attr store1 < 2.357 and attr store1 > 2.297 ) and 
      (bondedto (attr store1 < 128.306109131  and attr store1 > 127.506109131 ) or 
       bondedto (attr store1 < 80.582  and attr store1 > 79.782 ) or 
       bondedto (attr store1 < 32.8578908686  and attr store1 > 32.0578908686 ))) 
6 0.1 0.1 peak 963 volume 7.50057 ppm1 2.327 ppm2 8.521
 
! ############### c13noe.964 folded +
assi (attr store1 < 8.415 and attr store1 > 8.315 )
     ((attr store1 < 2.271 and attr store1 > 2.211 ) and 
      (bondedto (attr store1 < 128.286109131  and attr store1 > 127.486109131 ) or 
       bondedto (attr store1 < 80.562  and attr store1 > 79.762 ) or 
       bondedto (attr store1 < 32.8378908686  and attr store1 > 32.0378908686 ))) 
6 0.1 0.1 peak 964 volume 14.66254 ppm1 2.241 ppm2 8.365
 
! ############### c13noe.965 folded +
assi (attr store1 < 4.306 and attr store1 > 4.206 )
     ((attr store1 < 2.275 and attr store1 > 2.215 ) and 
      (bondedto (attr store1 < 128.297109131  and attr store1 > 127.497109131 ) or 
       bondedto (attr store1 < 80.573  and attr store1 > 79.773 ) or 
       bondedto (attr store1 < 32.8488908686  and attr store1 > 32.0488908686 ))) 
6 0.1 0.1 peak 965 volume 14.51525 ppm1 2.245 ppm2 4.256
 
! ############### c13noe.966 folded +
assi (attr store1 < 4.155 and attr store1 > 4.055 )
     ((attr store1 < 2.271 and attr store1 > 2.211 ) and 
      (bondedto (attr store1 < 128.298109131  and attr store1 > 127.498109131 ) or 
       bondedto (attr store1 < 80.574  and attr store1 > 79.774 ) or 
       bondedto (attr store1 < 32.8498908686  and attr store1 > 32.0498908686 ))) 
6 0.1 0.1 peak 966 volume 9.92330 ppm1 2.241 ppm2 4.105
 
! ############### c13noe.967 folded +
assi (attr store1 < 4.161 and attr store1 > 4.061 )
     ((attr store1 < 2.219 and attr store1 > 2.159 ) and 
      (bondedto (attr store1 < 128.297109131  and attr store1 > 127.497109131 ) or 
       bondedto (attr store1 < 80.573  and attr store1 > 79.773 ) or 
       bondedto (attr store1 < 32.8488908686  and attr store1 > 32.0488908686 ))) 
6 0.1 0.1 peak 967 volume 8.21723 ppm1 2.189 ppm2 4.111
 
! ############### c13noe.968 folded +
assi (attr store1 < 8.416 and attr store1 > 8.316 )
     ((attr store1 < 2.211 and attr store1 > 2.151 ) and 
      (bondedto (attr store1 < 128.315109131  and attr store1 > 127.515109131 ) or 
       bondedto (attr store1 < 80.591  and attr store1 > 79.791 ) or 
       bondedto (attr store1 < 32.8668908686  and attr store1 > 32.0668908686 ))) 
6 0.1 0.1 peak 968 volume 14.23435 ppm1 2.181 ppm2 8.366
 
! ############### c13noe.969 folded +
assi (attr store1 < 4.31 and attr store1 > 4.21 )
     ((attr store1 < 2.204 and attr store1 > 2.144 ) and 
      (bondedto (attr store1 < 128.279109131  and attr store1 > 127.479109131 ) or 
       bondedto (attr store1 < 80.555  and attr store1 > 79.755 ) or 
       bondedto (attr store1 < 32.8308908686  and attr store1 > 32.0308908686 ))) 
6 0.1 0.1 peak 969 volume 16.24737 ppm1 2.174 ppm2 4.260
 
! ############### c13noe.970 folded +
assi (attr store1 < 7.856 and attr store1 > 7.756 )
     ((attr store1 < 2.201 and attr store1 > 2.141 ) and 
      (bondedto (attr store1 < 128.322109131  and attr store1 > 127.522109131 ) or 
       bondedto (attr store1 < 80.598  and attr store1 > 79.798 ) or 
       bondedto (attr store1 < 32.8738908686  and attr store1 > 32.0738908686 ))) 
6 0.1 0.1 peak 970 volume 8.74441 ppm1 2.171 ppm2 7.806
 
! ############### c13noe.971 folded +
assi (attr store1 < 4.154 and attr store1 > 4.054 )
     ((attr store1 < 2.189 and attr store1 > 2.129 ) and 
      (bondedto (attr store1 < 128.325109131  and attr store1 > 127.525109131 ) or 
       bondedto (attr store1 < 80.601  and attr store1 > 79.801 ) or 
       bondedto (attr store1 < 32.8768908686  and attr store1 > 32.0768908686 ))) 
6 0.1 0.1 peak 971 volume 9.36359 ppm1 2.159 ppm2 4.104
 
! ############### c13noe.972 folded +
assi (attr store1 < 4.307 and attr store1 > 4.207 )
     ((attr store1 < 2.074 and attr store1 > 2.014 ) and 
      (bondedto (attr store1 < 128.323109131  and attr store1 > 127.523109131 ) or 
       bondedto (attr store1 < 80.599  and attr store1 > 79.799 ) or 
       bondedto (attr store1 < 32.8748908686  and attr store1 > 32.0748908686 ))) 
6 0.1 0.1 peak 972 volume 30.54280 ppm1 2.044 ppm2 4.257
 
! ############### c13noe.973 folded +
assi (attr store1 < 8.803 and attr store1 > 8.703 )
     ((attr store1 < 1.97 and attr store1 > 1.91 ) and 
      (bondedto (attr store1 < 128.262109131  and attr store1 > 127.462109131 ) or 
       bondedto (attr store1 < 80.538  and attr store1 > 79.738 ) or 
       bondedto (attr store1 < 32.8138908686  and attr store1 > 32.0138908686 ))) 
6 0.1 0.1 peak 973 volume 17.55370 ppm1 1.940 ppm2 8.753
 
! ############### c13noe.974 folded -
assi (attr store1 < 1.242 and attr store1 > 1.142 )
     ((attr store1 < 1.483 and attr store1 > 1.423 ) and 
      (bondedto (attr store1 < 104.392054566  and attr store1 > 103.592054566 ) or 
       bondedto (attr store1 < 152.116163697  and attr store1 > 151.316163697) or 
       bondedto (attr store1 < 56.6679454343  and attr store1 > 55.8679454343 ))) 
6 0.1 0.1 peak 974 volume 9.6574 ppm1 1.453 ppm2 1.192
 
! ############### c13noe.975 folded +
assi (attr store1 < 7.274 and attr store1 > 7.174 )
     ((attr store1 < 2.427 and attr store1 > 2.367 ) and 
      (bondedto (attr store1 < 128.243109131  and attr store1 > 127.443109131 ) or 
       bondedto (attr store1 < 80.519  and attr store1 > 79.719 ) or 
       bondedto (attr store1 < 32.7948908686  and attr store1 > 31.9948908686 ))) 
6 0.1 0.1 peak 975 volume 19.61391 ppm1 2.397 ppm2 7.224
 
! ############### c13noe.976 folded +
assi (attr store1 < 7.641 and attr store1 > 7.541 )
     ((attr store1 < 2.077 and attr store1 > 2.017 ) and 
      (bondedto (attr store1 < 128.232109131  and attr store1 > 127.432109131 ) or 
       bondedto (attr store1 < 80.508  and attr store1 > 79.708 ) or 
       bondedto (attr store1 < 32.7838908686  and attr store1 > 31.9838908686 ))) 
6 0.1 0.1 peak 976 volume 11.14882 ppm1 2.047 ppm2 7.591
 
! ############### c13noe.977 folded +
assi (attr store1 < 3.789 and attr store1 > 3.689 )
     ((attr store1 < 2.071 and attr store1 > 2.011 ) and 
      (bondedto (attr store1 < 128.172109131  and attr store1 > 127.372109131 ) or 
       bondedto (attr store1 < 80.448  and attr store1 > 79.648 ) or 
       bondedto (attr store1 < 32.7238908686  and attr store1 > 31.9238908686 ))) 
6 0.1 0.1 peak 977 volume 11.31929 ppm1 2.041 ppm2 3.739
 
! ############### c13noe.978 folded +
assi (attr store1 < 4.487 and attr store1 > 4.387 )
     ((attr store1 < 2.063 and attr store1 > 2.003 ) and 
      (bondedto (attr store1 < 128.241109131  and attr store1 > 127.441109131 ) or 
       bondedto (attr store1 < 80.517  and attr store1 > 79.717 ) or 
       bondedto (attr store1 < 32.7928908686  and attr store1 > 31.9928908686 ))) 
6 0.1 0.1 peak 978 volume 8.13672 ppm1 2.033 ppm2 4.437
 
! ############### c13noe.979 folded +
assi (attr store1 < 3.835 and attr store1 > 3.735 )
     ((attr store1 < 2.002 and attr store1 > 1.942 ) and 
      (bondedto (attr store1 < 128.188109131  and attr store1 > 127.388109131 ) or 
       bondedto (attr store1 < 80.464  and attr store1 > 79.664 ) or 
       bondedto (attr store1 < 32.7398908686  and attr store1 > 31.9398908686 ))) 
6 0.1 0.1 peak 979 volume 8.34755 ppm1 1.972 ppm2 3.785
 
! ############### c13noe.980 folded +
assi (attr store1 < 7.978 and attr store1 > 7.878 )
     ((attr store1 < 1.98 and attr store1 > 1.92 ) and 
      (bondedto (attr store1 < 128.249109131  and attr store1 > 127.449109131 ) or 
       bondedto (attr store1 < 80.525  and attr store1 > 79.725 ) or 
       bondedto (attr store1 < 32.8008908686  and attr store1 > 32.0008908686 ))) 
6 0.1 0.1 peak 980 volume 10.45330 ppm1 1.950 ppm2 7.928
 
! ############### c13noe.981 folded +
assi (attr store1 < 3.982 and attr store1 > 3.882 )
     ((attr store1 < 1.969 and attr store1 > 1.909 ) and 
      (bondedto (attr store1 < 128.223109131  and attr store1 > 127.423109131 ) or 
       bondedto (attr store1 < 80.499  and attr store1 > 79.699 ) or 
       bondedto (attr store1 < 32.7748908686  and attr store1 > 31.9748908686 ))) 
6 0.1 0.1 peak 981 volume 18.20223 ppm1 1.939 ppm2 3.932
 
! ############### c13noe.982 folded -
assi (attr store1 < 7.857 and attr store1 > 7.757 )
     ((attr store1 < 4.305 and attr store1 > 4.245 ) and 
      (bondedto (attr store1 < 104.344054566  and attr store1 > 103.544054566 ) or 
       bondedto (attr store1 < 152.068163697  and attr store1 > 151.268163697) or 
       bondedto (attr store1 < 56.6199454343  and attr store1 > 55.8199454343 ))) 
6 0.1 0.1 peak 982 volume 10.71619 ppm1 4.275 ppm2 7.807
 
! ############### c13noe.983 folded -
assi (attr store1 < 1.611 and attr store1 > 1.511 )
     ((attr store1 < 4.305 and attr store1 > 4.245 ) and 
      (bondedto (attr store1 < 104.339054566  and attr store1 > 103.539054566 ) or 
       bondedto (attr store1 < 152.063163697  and attr store1 > 151.263163697) or 
       bondedto (attr store1 < 56.6149454343  and attr store1 > 55.8149454343 ))) 
6 0.1 0.1 peak 983 volume 15.08408 ppm1 4.275 ppm2 1.561
 
! ############### c13noe.984 folded -
assi (attr store1 < 1.451 and attr store1 > 1.351 )
     ((attr store1 < 4.305 and attr store1 > 4.245 ) and 
      (bondedto (attr store1 < 104.341054566  and attr store1 > 103.541054566 ) or 
       bondedto (attr store1 < 152.065163697  and attr store1 > 151.265163697) or 
       bondedto (attr store1 < 56.6169454343  and attr store1 > 55.8169454343 ))) 
6 0.1 0.1 peak 984 volume 15.41423 ppm1 4.275 ppm2 1.401
 
! ############### c13noe.985 folded -
assi (attr store1 < 7.462 and attr store1 > 7.362 )
     ((attr store1 < 4.298 and attr store1 > 4.238 ) and 
      (bondedto (attr store1 < 104.368054566  and attr store1 > 103.568054566 ) or 
       bondedto (attr store1 < 152.092163697  and attr store1 > 151.292163697) or 
       bondedto (attr store1 < 56.6439454343  and attr store1 > 55.8439454343 ))) 
6 0.1 0.1 peak 985 volume 8.43627 ppm1 4.268 ppm2 7.412
 
! ############### c13noe.986 folded -
assi (attr store1 < 1.809 and attr store1 > 1.709 )
     ((attr store1 < 4.3 and attr store1 > 4.24 ) and 
      (bondedto (attr store1 < 104.346054566  and attr store1 > 103.546054566 ) or 
       bondedto (attr store1 < 152.070163697  and attr store1 > 151.270163697) or 
       bondedto (attr store1 < 56.6219454343  and attr store1 > 55.8219454343 ))) 
6 0.1 0.1 peak 986 volume 11.18766 ppm1 4.270 ppm2 1.759
 
! ############### c13noe.987 folded -
assi (attr store1 < 0.76 and attr store1 > 0.66 )
     ((attr store1 < 4.3 and attr store1 > 4.24 ) and 
      (bondedto (attr store1 < 104.351054566  and attr store1 > 103.551054566 ) or 
       bondedto (attr store1 < 152.075163697  and attr store1 > 151.275163697) or 
       bondedto (attr store1 < 56.6269454343  and attr store1 > 55.8269454343 ))) 
6 0.1 0.1 peak 987 volume 12.55533 ppm1 4.270 ppm2 0.710
 
! ############### c13noe.988 folded -
assi (attr store1 < 0.703 and attr store1 > 0.603 )
     ((attr store1 < 4.301 and attr store1 > 4.241 ) and 
      (bondedto (attr store1 < 104.342054566  and attr store1 > 103.542054566 ) or 
       bondedto (attr store1 < 152.066163697  and attr store1 > 151.266163697) or 
       bondedto (attr store1 < 56.6179454343  and attr store1 > 55.8179454343 ))) 
6 0.1 0.1 peak 988 volume 42.21968 ppm1 4.271 ppm2 0.653
 
! ############### c13noe.989 folded -
assi (attr store1 < 2.003 and attr store1 > 1.903 )
     ((attr store1 < 4.297 and attr store1 > 4.237 ) and 
      (bondedto (attr store1 < 104.309054566  and attr store1 > 103.509054566 ) or 
       bondedto (attr store1 < 152.033163697  and attr store1 > 151.233163697) or 
       bondedto (attr store1 < 56.5849454343  and attr store1 > 55.7849454343 ))) 
6 0.1 0.1 peak 989 volume 12.92109 ppm1 4.267 ppm2 1.953
 
! ############### c13noe.990 folded -
assi (attr store1 < 1.695 and attr store1 > 1.595 )
     ((attr store1 < 4.297 and attr store1 > 4.237 ) and 
      (bondedto (attr store1 < 104.332054566  and attr store1 > 103.532054566 ) or 
       bondedto (attr store1 < 152.056163697  and attr store1 > 151.256163697) or 
       bondedto (attr store1 < 56.6079454343  and attr store1 > 55.8079454343 ))) 
6 0.1 0.1 peak 990 volume 13.91635 ppm1 4.267 ppm2 1.645
 
! ############### c13noe.991 folded -
assi (attr store1 < 2.728 and attr store1 > 2.628 )
     ((attr store1 < 4.124 and attr store1 > 4.064 ) and 
      (bondedto (attr store1 < 104.313054566  and attr store1 > 103.513054566 ) or 
       bondedto (attr store1 < 152.037163697  and attr store1 > 151.237163697) or 
       bondedto (attr store1 < 56.5889454343  and attr store1 > 55.7889454343 ))) 
6 0.1 0.1 peak 991 volume 9.34601 ppm1 4.094 ppm2 2.678
 
! ############### c13noe.992 folded -
assi (attr store1 < 1.707 and attr store1 > 1.607 )
     ((attr store1 < 4.122 and attr store1 > 4.062 ) and 
      (bondedto (attr store1 < 104.309054566  and attr store1 > 103.509054566 ) or 
       bondedto (attr store1 < 152.033163697  and attr store1 > 151.233163697) or 
       bondedto (attr store1 < 56.5849454343  and attr store1 > 55.7849454343 ))) 
6 0.1 0.1 peak 992 volume 32.65545 ppm1 4.092 ppm2 1.657
 
! ############### c13noe.993 folded -
assi (attr store1 < 1.504 and attr store1 > 1.404 )
     ((attr store1 < 1.224 and attr store1 > 1.164 ) and 
      (bondedto (attr store1 < 104.372054566  and attr store1 > 103.572054566 ) or 
       bondedto (attr store1 < 152.096163697  and attr store1 > 151.296163697) or 
       bondedto (attr store1 < 56.6479454343  and attr store1 > 55.8479454343 ))) 
6 0.1 0.1 peak 993 volume 11.02546 ppm1 1.194 ppm2 1.454
 
! ############### c13noe.994 folded +
assi (attr store1 < 4.504 and attr store1 > 4.404 )
     ((attr store1 < 2.343 and attr store1 > 2.283 ) and 
      (bondedto (attr store1 < 128.077109131  and attr store1 > 127.277109131 ) or 
       bondedto (attr store1 < 80.353  and attr store1 > 79.553 ) or 
       bondedto (attr store1 < 32.6288908686  and attr store1 > 31.8288908686 ))) 
6 0.1 0.1 peak 994 volume 63.70289 ppm1 2.313 ppm2 4.454
 
! ############### c13noe.995 folded +
assi (attr store1 < 3.894 and attr store1 > 3.794 )
     ((attr store1 < 2.343 and attr store1 > 2.283 ) and 
      (bondedto (attr store1 < 128.080109131  and attr store1 > 127.280109131 ) or 
       bondedto (attr store1 < 80.356  and attr store1 > 79.556 ) or 
       bondedto (attr store1 < 32.6318908686  and attr store1 > 31.8318908686 ))) 
6 0.1 0.1 peak 995 volume 18.00619 ppm1 2.313 ppm2 3.844
 
! ############### c13noe.996 folded +
assi (attr store1 < 3.719 and attr store1 > 3.619 )
     ((attr store1 < 2.343 and attr store1 > 2.283 ) and 
      (bondedto (attr store1 < 128.084109131  and attr store1 > 127.284109131 ) or 
       bondedto (attr store1 < 80.36  and attr store1 > 79.56 ) or 
       bondedto (attr store1 < 32.6358908686  and attr store1 > 31.8358908686 ))) 
6 0.1 0.1 peak 996 volume 11.87293 ppm1 2.313 ppm2 3.669
 
! ############### c13noe.997 folded +
assi (attr store1 < 1.48 and attr store1 > 1.38 )
     ((attr store1 < 2.081 and attr store1 > 2.021 ) and 
      (bondedto (attr store1 < 128.092109131  and attr store1 > 127.292109131 ) or 
       bondedto (attr store1 < 80.368  and attr store1 > 79.568 ) or 
       bondedto (attr store1 < 32.6438908686  and attr store1 > 31.8438908686 ))) 
6 0.1 0.1 peak 997 volume 20.41753 ppm1 2.051 ppm2 1.430
 
! ############### c13noe.998 folded +
assi (attr store1 < 8.863 and attr store1 > 8.763 )
     ((attr store1 < 2.076 and attr store1 > 2.016 ) and 
      (bondedto (attr store1 < 128.131109131  and attr store1 > 127.331109131 ) or 
       bondedto (attr store1 < 80.407  and attr store1 > 79.607 ) or 
       bondedto (attr store1 < 32.6828908686  and attr store1 > 31.8828908686 ))) 
6 0.1 0.1 peak 998 volume 11.37887 ppm1 2.046 ppm2 8.813
 
! ############### c13noe.999 folded +
assi (attr store1 < 4.531 and attr store1 > 4.431 )
     ((attr store1 < 2.012 and attr store1 > 1.952 ) and 
      (bondedto (attr store1 < 128.105109131  and attr store1 > 127.305109131 ) or 
       bondedto (attr store1 < 80.381  and attr store1 > 79.581 ) or 
       bondedto (attr store1 < 32.6568908686  and attr store1 > 31.8568908686 ))) 
6 0.1 0.1 peak 999 volume 12.30040 ppm1 1.982 ppm2 4.481
 
! ############### c13noe.1000 folded +
assi (attr store1 < 3.886 and attr store1 > 3.786 )
     ((attr store1 < 1.977 and attr store1 > 1.917 ) and 
      (bondedto (attr store1 < 128.104109131  and attr store1 > 127.304109131 ) or 
       bondedto (attr store1 < 80.38  and attr store1 > 79.58 ) or 
       bondedto (attr store1 < 32.6558908686  and attr store1 > 31.8558908686 ))) 
6 0.1 0.1 peak 1000 volume 13.94665 ppm1 1.947 ppm2 3.836
 
! ############### c13noe.1001 folded +
assi (attr store1 < 3.723 and attr store1 > 3.623 )
     ((attr store1 < 1.975 and attr store1 > 1.915 ) and 
      (bondedto (attr store1 < 128.094109131  and attr store1 > 127.294109131 ) or 
       bondedto (attr store1 < 80.37  and attr store1 > 79.57 ) or 
       bondedto (attr store1 < 32.6458908686  and attr store1 > 31.8458908686 ))) 
6 0.1 0.1 peak 1001 volume 16.05215 ppm1 1.945 ppm2 3.673
 
! ############### c13noe.1002 folded +
assi (attr store1 < 4.306 and attr store1 > 4.206 )
     ((attr store1 < 1.9 and attr store1 > 1.84 ) and 
      (bondedto (attr store1 < 128.139109131  and attr store1 > 127.339109131 ) or 
       bondedto (attr store1 < 80.415  and attr store1 > 79.615 ) or 
       bondedto (attr store1 < 32.6908908686  and attr store1 > 31.8908908686 ))) 
6 0.1 0.1 peak 1002 volume 10.15922 ppm1 1.870 ppm2 4.256
 
! ############### c13noe.1003 folded +
assi (attr store1 < 0.957 and attr store1 > 0.857 )
     ((attr store1 < 1.902 and attr store1 > 1.842 ) and 
      (bondedto (attr store1 < 128.122109131  and attr store1 > 127.322109131 ) or 
       bondedto (attr store1 < 80.398  and attr store1 > 79.598 ) or 
       bondedto (attr store1 < 32.6738908686  and attr store1 > 31.8738908686 ))) 
6 0.1 0.1 peak 1003 volume 18.93906 ppm1 1.872 ppm2 0.907
 
! ############### c13noe.1004 folded +
assi (attr store1 < 8.87 and attr store1 > 8.77 )
     ((attr store1 < 1.895 and attr store1 > 1.835 ) and 
      (bondedto (attr store1 < 128.149109131  and attr store1 > 127.349109131 ) or 
       bondedto (attr store1 < 80.425  and attr store1 > 79.625 ) or 
       bondedto (attr store1 < 32.7008908686  and attr store1 > 31.9008908686 ))) 
6 0.1 0.1 peak 1004 volume 12.08694 ppm1 1.865 ppm2 8.820
 
! ############### c13noe.1005 folded +
assi (attr store1 < 3.787 and attr store1 > 3.687 )
     ((attr store1 < 1.895 and attr store1 > 1.835 ) and 
      (bondedto (attr store1 < 128.135109131  and attr store1 > 127.335109131 ) or 
       bondedto (attr store1 < 80.411  and attr store1 > 79.611 ) or 
       bondedto (attr store1 < 32.6868908686  and attr store1 > 31.8868908686 ))) 
6 0.1 0.1 peak 1005 volume 12.55669 ppm1 1.865 ppm2 3.737
 
! ############### c13noe.1006 folded +
assi (attr store1 < 7.639 and attr store1 > 7.539 )
     ((attr store1 < 1.89 and attr store1 > 1.83 ) and 
      (bondedto (attr store1 < 128.105109131  and attr store1 > 127.305109131 ) or 
       bondedto (attr store1 < 80.381  and attr store1 > 79.581 ) or 
       bondedto (attr store1 < 32.6568908686  and attr store1 > 31.8568908686 ))) 
6 0.1 0.1 peak 1006 volume 7.80613 ppm1 1.860 ppm2 7.589
 
! ############### c13noe.1007 folded +
assi (attr store1 < 2.365 and attr store1 > 2.265 )
     ((attr store1 < 1.094 and attr store1 > 1.034 ) and 
      (bondedto (attr store1 < 128.076109131  and attr store1 > 127.276109131 ) or 
       bondedto (attr store1 < 80.352  and attr store1 > 79.552 ) or 
       bondedto (attr store1 < 32.6278908686  and attr store1 > 31.8278908686 ))) 
6 0.1 0.1 peak 1007 volume 13.23878 ppm1 1.064 ppm2 2.315
 
! ############### c13noe.1008 folded -
assi (attr store1 < 1.518 and attr store1 > 1.418 )
     ((attr store1 < 4.505 and attr store1 > 4.445 ) and 
      (bondedto (attr store1 < 104.231054566  and attr store1 > 103.431054566 ) or 
       bondedto (attr store1 < 151.955163697  and attr store1 > 151.155163697) or 
       bondedto (attr store1 < 56.5069454343  and attr store1 > 55.7069454343 ))) 
6 0.1 0.1 peak 1008 volume 13.48038 ppm1 4.475 ppm2 1.468
 
! ############### c13noe.1009 folded -
assi (attr store1 < 7.668 and attr store1 > 7.568 )
     ((attr store1 < 4.492 and attr store1 > 4.432 ) and 
      (bondedto (attr store1 < 104.217054566  and attr store1 > 103.417054566 ) or 
       bondedto (attr store1 < 151.941163697  and attr store1 > 151.141163697) or 
       bondedto (attr store1 < 56.4929454343  and attr store1 > 55.6929454343 ))) 
6 0.1 0.1 peak 1009 volume 20.19217 ppm1 4.462 ppm2 7.618
 
! ############### c13noe.1010 folded -
assi (attr store1 < 0.968 and attr store1 > 0.868 )
     ((attr store1 < 4.486 and attr store1 > 4.426 ) and 
      (bondedto (attr store1 < 104.239054566  and attr store1 > 103.439054566 ) or 
       bondedto (attr store1 < 151.963163697  and attr store1 > 151.163163697) or 
       bondedto (attr store1 < 56.5149454343  and attr store1 > 55.7149454343 ))) 
6 0.1 0.1 peak 1010 volume 24.50523 ppm1 4.456 ppm2 0.918
 
! ############### c13noe.1011 folded -
assi (attr store1 < 1.695 and attr store1 > 1.595 )
     ((attr store1 < 4.304 and attr store1 > 4.244 ) and 
      (bondedto (attr store1 < 104.296054566  and attr store1 > 103.496054566 ) or 
       bondedto (attr store1 < 152.020163697  and attr store1 > 151.220163697) or 
       bondedto (attr store1 < 56.5719454343  and attr store1 > 55.7719454343 ))) 
6 0.1 0.1 peak 1011 volume 13.55837 ppm1 4.274 ppm2 1.645
 
! ############### c13noe.1012 folded -
assi (attr store1 < 3.354 and attr store1 > 3.254 )
     ((attr store1 < 4.13 and attr store1 > 4.07 ) and 
      (bondedto (attr store1 < 104.257054566  and attr store1 > 103.457054566 ) or 
       bondedto (attr store1 < 151.981163697  and attr store1 > 151.181163697) or 
       bondedto (attr store1 < 56.5329454343  and attr store1 > 55.7329454343 ))) 
6 0.1 0.1 peak 1012 volume 7.4351 ppm1 4.100 ppm2 3.304
 
! ############### c13noe.1013 folded -
assi (attr store1 < 8.471 and attr store1 > 8.371 )
     ((attr store1 < 4.122 and attr store1 > 4.062 ) and 
      (bondedto (attr store1 < 104.272054566  and attr store1 > 103.472054566 ) or 
       bondedto (attr store1 < 151.996163697  and attr store1 > 151.196163697) or 
       bondedto (attr store1 < 56.5479454343  and attr store1 > 55.7479454343 ))) 
6 0.1 0.1 peak 1013 volume 11.86191 ppm1 4.092 ppm2 8.421
 
! ############### c13noe.1014 folded +
assi (attr store1 < 3.954 and attr store1 > 3.854 )
     ((attr store1 < 3.873 and attr store1 > 3.813 ) and 
      (bondedto (attr store1 < 128.033109131  and attr store1 > 127.233109131 ) or 
       bondedto (attr store1 < 80.309  and attr store1 > 79.509 ) or 
       bondedto (attr store1 < 32.5848908686  and attr store1 > 31.7848908686 ))) 
6 0.1 0.1 peak 1014 volume 25.49223 ppm1 3.843 ppm2 3.904
 
! ############### c13noe.1015 folded +
assi (attr store1 < 3.91 and attr store1 > 3.81 )
     ((attr store1 < 3.804 and attr store1 > 3.744 ) and 
      (bondedto (attr store1 < 128.051109131  and attr store1 > 127.251109131 ) or 
       bondedto (attr store1 < 80.327  and attr store1 > 79.527 ) or 
       bondedto (attr store1 < 32.6028908686  and attr store1 > 31.8028908686 ))) 
6 0.1 0.1 peak 1015 volume 11.49548 ppm1 3.774 ppm2 3.860
 
! ############### c13noe.1016 folded +
assi (attr store1 < 2.165 and attr store1 > 2.065 )
     ((attr store1 < 2.551 and attr store1 > 2.491 ) and 
      (bondedto (attr store1 < 127.991109131  and attr store1 > 127.191109131 ) or 
       bondedto (attr store1 < 80.267  and attr store1 > 79.467 ) or 
       bondedto (attr store1 < 32.5428908686  and attr store1 > 31.7428908686 ))) 
6 0.1 0.1 peak 1016 volume 24.51455 ppm1 2.521 ppm2 2.115
 
! ############### c13noe.1017 folded +
assi (attr store1 < 4.517 and attr store1 > 4.417 )
     ((attr store1 < 2.503 and attr store1 > 2.443 ) and 
      (bondedto (attr store1 < 127.999109131  and attr store1 > 127.199109131 ) or 
       bondedto (attr store1 < 80.275  and attr store1 > 79.475 ) or 
       bondedto (attr store1 < 32.5508908686  and attr store1 > 31.7508908686 ))) 
6 0.1 0.1 peak 1017 volume 34.13060 ppm1 2.473 ppm2 4.467
 
! ############### c13noe.1018 folded +
assi (attr store1 < 3.824 and attr store1 > 3.724 )
     ((attr store1 < 2.502 and attr store1 > 2.442 ) and 
      (bondedto (attr store1 < 127.995109131  and attr store1 > 127.195109131 ) or 
       bondedto (attr store1 < 80.271  and attr store1 > 79.471 ) or 
       bondedto (attr store1 < 32.5468908686  and attr store1 > 31.7468908686 ))) 
6 0.1 0.1 peak 1018 volume 7.32598 ppm1 2.472 ppm2 3.774
 
! ############### c13noe.1019 folded +
assi (attr store1 < 2.001 and attr store1 > 1.901 )
     ((attr store1 < 2.504 and attr store1 > 2.444 ) and 
      (bondedto (attr store1 < 127.987109131  and attr store1 > 127.187109131 ) or 
       bondedto (attr store1 < 80.263  and attr store1 > 79.463 ) or 
       bondedto (attr store1 < 32.5388908686  and attr store1 > 31.7388908686 ))) 
6 0.1 0.1 peak 1019 volume 32.53090 ppm1 2.474 ppm2 1.951
 
! ############### c13noe.1020 folded +
assi (attr store1 < 1.874 and attr store1 > 1.774 )
     ((attr store1 < 2.502 and attr store1 > 2.442 ) and 
      (bondedto (attr store1 < 127.998109131  and attr store1 > 127.198109131 ) or 
       bondedto (attr store1 < 80.274  and attr store1 > 79.474 ) or 
       bondedto (attr store1 < 32.5498908686  and attr store1 > 31.7498908686 ))) 
6 0.1 0.1 peak 1020 volume 66.07986 ppm1 2.472 ppm2 1.824
 
! ############### c13noe.1021 folded +
assi (attr store1 < 3.521 and attr store1 > 3.421 )
     ((attr store1 < 2.501 and attr store1 > 2.441 ) and 
      (bondedto (attr store1 < 128.000109131  and attr store1 > 127.200109131 ) or 
       bondedto (attr store1 < 80.276  and attr store1 > 79.476 ) or 
       bondedto (attr store1 < 32.5518908686  and attr store1 > 31.7518908686 ))) 
6 0.1 0.1 peak 1021 volume 8.69353 ppm1 2.471 ppm2 3.471
 
! ############### c13noe.1022 folded +
assi (attr store1 < 3.552 and attr store1 > 3.452 )
     ((attr store1 < 2.349 and attr store1 > 2.289 ) and 
      (bondedto (attr store1 < 128.027109131  and attr store1 > 127.227109131 ) or 
       bondedto (attr store1 < 80.303  and attr store1 > 79.503 ) or 
       bondedto (attr store1 < 32.5788908686  and attr store1 > 31.7788908686 ))) 
6 0.1 0.1 peak 1022 volume 8.34416 ppm1 2.319 ppm2 3.502
 
! ############### c13noe.1023 folded +
assi (attr store1 < 3.625 and attr store1 > 3.525 )
     ((attr store1 < 2.347 and attr store1 > 2.287 ) and 
      (bondedto (attr store1 < 128.012109131  and attr store1 > 127.212109131 ) or 
       bondedto (attr store1 < 80.288  and attr store1 > 79.488 ) or 
       bondedto (attr store1 < 32.5638908686  and attr store1 > 31.7638908686 ))) 
6 0.1 0.1 peak 1023 volume 9.31650 ppm1 2.317 ppm2 3.575
 
! ############### c13noe.1024 folded +
assi (attr store1 < 4.741 and attr store1 > 4.641 )
     ((attr store1 < 1.99 and attr store1 > 1.93 ) and 
      (bondedto (attr store1 < 127.975109131  and attr store1 > 127.175109131 ) or 
       bondedto (attr store1 < 80.251  and attr store1 > 79.451 ) or 
       bondedto (attr store1 < 32.5268908686  and attr store1 > 31.7268908686 ))) 
6 0.1 0.1 peak 1024 volume 8.53048 ppm1 1.960 ppm2 4.691
 
! ############### c13noe.1025 folded +
assi (attr store1 < 4.494 and attr store1 > 4.394 )
     ((attr store1 < 1.976 and attr store1 > 1.916 ) and 
      (bondedto (attr store1 < 128.060109131  and attr store1 > 127.260109131 ) or 
       bondedto (attr store1 < 80.336  and attr store1 > 79.536 ) or 
       bondedto (attr store1 < 32.6118908686  and attr store1 > 31.8118908686 ))) 
6 0.1 0.1 peak 1025 volume 34.65943 ppm1 1.946 ppm2 4.444
 
! ############### c13noe.1026 folded +
assi (attr store1 < 2.573 and attr store1 > 2.473 )
     ((attr store1 < 1.979 and attr store1 > 1.919 ) and 
      (bondedto (attr store1 < 127.983109131  and attr store1 > 127.183109131 ) or 
       bondedto (attr store1 < 80.259  and attr store1 > 79.459 ) or 
       bondedto (attr store1 < 32.5348908686  and attr store1 > 31.7348908686 ))) 
6 0.1 0.1 peak 1026 volume 32.15655 ppm1 1.949 ppm2 2.523
 
! ############### c13noe.1027 folded +
assi (attr store1 < 4.519 and attr store1 > 4.419 )
     ((attr store1 < 1.855 and attr store1 > 1.795 ) and 
      (bondedto (attr store1 < 128.004109131  and attr store1 > 127.204109131 ) or 
       bondedto (attr store1 < 80.28  and attr store1 > 79.48 ) or 
       bondedto (attr store1 < 32.5558908686  and attr store1 > 31.7558908686 ))) 
6 0.1 0.1 peak 1027 volume 22.24298 ppm1 1.825 ppm2 4.469
 
! ############### c13noe.1028 folded +
assi (attr store1 < 2.523 and attr store1 > 2.423 )
     ((attr store1 < 1.853 and attr store1 > 1.793 ) and 
      (bondedto (attr store1 < 128.006109131  and attr store1 > 127.206109131 ) or 
       bondedto (attr store1 < 80.282  and attr store1 > 79.482 ) or 
       bondedto (attr store1 < 32.5578908686  and attr store1 > 31.7578908686 ))) 
6 0.1 0.1 peak 1028 volume 59.45745 ppm1 1.823 ppm2 2.473
 
! ############### c13noe.1029 folded +
assi (attr store1 < 3.814 and attr store1 > 3.714 )
     ((attr store1 < 1.849 and attr store1 > 1.789 ) and 
      (bondedto (attr store1 < 127.990109131  and attr store1 > 127.190109131 ) or 
       bondedto (attr store1 < 80.266  and attr store1 > 79.466 ) or 
       bondedto (attr store1 < 32.5418908686  and attr store1 > 31.7418908686 ))) 
6 0.1 0.1 peak 1029 volume 9.71452 ppm1 1.819 ppm2 3.764
 
! ############### c13noe.1030 folded +
assi (attr store1 < 3.516 and attr store1 > 3.416 )
     ((attr store1 < 1.852 and attr store1 > 1.792 ) and 
      (bondedto (attr store1 < 128.015109131  and attr store1 > 127.215109131 ) or 
       bondedto (attr store1 < 80.291  and attr store1 > 79.491 ) or 
       bondedto (attr store1 < 32.5668908686  and attr store1 > 31.7668908686 ))) 
6 0.1 0.1 peak 1030 volume 10.30353 ppm1 1.822 ppm2 3.466
 
! ############### c13noe.1031 folded -
assi (attr store1 < 1.678 and attr store1 > 1.578 )
     ((attr store1 < 4.503 and attr store1 > 4.443 ) and 
      (bondedto (attr store1 < 104.187054566  and attr store1 > 103.387054566 ) or 
       bondedto (attr store1 < 151.911163697  and attr store1 > 151.111163697) or 
       bondedto (attr store1 < 56.4629454343  and attr store1 > 55.6629454343 ))) 
6 0.1 0.1 peak 1031 volume 14.924 ppm1 4.473 ppm2 1.628
 
! ############### c13noe.1032 folded +
assi (attr store1 < 3.72 and attr store1 > 3.62 )
     ((attr store1 < 3.867 and attr store1 > 3.807 ) and 
      (bondedto (attr store1 < 127.929109131  and attr store1 > 127.129109131 ) or 
       bondedto (attr store1 < 80.205  and attr store1 > 79.405 ) or 
       bondedto (attr store1 < 32.4808908686  and attr store1 > 31.6808908686 ))) 
6 0.1 0.1 peak 1032 volume 15.01566 ppm1 3.837 ppm2 3.670
 
! ############### c13noe.1033 folded +
assi (attr store1 < 3.885 and attr store1 > 3.785 )
     ((attr store1 < 3.696 and attr store1 > 3.636 ) and 
      (bondedto (attr store1 < 127.931109131  and attr store1 > 127.131109131 ) or 
       bondedto (attr store1 < 80.207  and attr store1 > 79.407 ) or 
       bondedto (attr store1 < 32.4828908686  and attr store1 > 31.6828908686 ))) 
6 0.1 0.1 peak 1033 volume 14.15303 ppm1 3.666 ppm2 3.835
 
! ############### c13noe.1034 folded +
assi (attr store1 < 7.876 and attr store1 > 7.776 )
     ((attr store1 < 2.787 and attr store1 > 2.727 ) and 
      (bondedto (attr store1 < 127.896109131  and attr store1 > 127.096109131 ) or 
       bondedto (attr store1 < 80.172  and attr store1 > 79.372 ) or 
       bondedto (attr store1 < 32.4478908686  and attr store1 > 31.6478908686 ))) 
6 0.1 0.1 peak 1034 volume 19.97602 ppm1 2.757 ppm2 7.826
 
! ############### c13noe.1035 folded +
assi (attr store1 < 2.22 and attr store1 > 2.12 )
     ((attr store1 < 2.789 and attr store1 > 2.729 ) and 
      (bondedto (attr store1 < 127.887109131  and attr store1 > 127.087109131 ) or 
       bondedto (attr store1 < 80.163  and attr store1 > 79.363 ) or 
       bondedto (attr store1 < 32.4388908686  and attr store1 > 31.6388908686 ))) 
6 0.1 0.1 peak 1035 volume 34.39653 ppm1 2.759 ppm2 2.170
 
! ############### c13noe.1036 folded +
assi (attr store1 < 1.002 and attr store1 > 0.902 )
     ((attr store1 < 2.791 and attr store1 > 2.731 ) and 
      (bondedto (attr store1 < 127.900109131  and attr store1 > 127.100109131 ) or 
       bondedto (attr store1 < 80.176  and attr store1 > 79.376 ) or 
       bondedto (attr store1 < 32.4518908686  and attr store1 > 31.6518908686 ))) 
6 0.1 0.1 peak 1036 volume 10.82950 ppm1 2.761 ppm2 0.952
 
! ############### c13noe.1037 folded +
assi (attr store1 < 2.222 and attr store1 > 2.122 )
     ((attr store1 < 2.692 and attr store1 > 2.632 ) and 
      (bondedto (attr store1 < 127.885109131  and attr store1 > 127.085109131 ) or 
       bondedto (attr store1 < 80.161  and attr store1 > 79.361 ) or 
       bondedto (attr store1 < 32.4368908686  and attr store1 > 31.6368908686 ))) 
6 0.1 0.1 peak 1037 volume 37.60126 ppm1 2.662 ppm2 2.172
 
! ############### c13noe.1038 folded +
assi (attr store1 < 4.735 and attr store1 > 4.635 )
     ((attr store1 < 2.558 and attr store1 > 2.498 ) and 
      (bondedto (attr store1 < 127.925109131  and attr store1 > 127.125109131 ) or 
       bondedto (attr store1 < 80.201  and attr store1 > 79.401 ) or 
       bondedto (attr store1 < 32.4768908686  and attr store1 > 31.6768908686 ))) 
6 0.1 0.1 peak 1038 volume 9.73667 ppm1 2.528 ppm2 4.685
 
! ############### c13noe.1039 folded +
assi (attr store1 < 1.35 and attr store1 > 1.25 )
     ((attr store1 < 2.552 and attr store1 > 2.492 ) and 
      (bondedto (attr store1 < 127.941109131  and attr store1 > 127.141109131 ) or 
       bondedto (attr store1 < 80.217  and attr store1 > 79.417 ) or 
       bondedto (attr store1 < 32.4928908686  and attr store1 > 31.6928908686 ))) 
6 0.1 0.1 peak 1039 volume 9.73011 ppm1 2.522 ppm2 1.300
 
! ############### c13noe.1040 folded +
assi (attr store1 < 4.477 and attr store1 > 4.377 )
     ((attr store1 < 2.548 and attr store1 > 2.488 ) and 
      (bondedto (attr store1 < 127.940109131  and attr store1 > 127.140109131 ) or 
       bondedto (attr store1 < 80.216  and attr store1 > 79.416 ) or 
       bondedto (attr store1 < 32.4918908686  and attr store1 > 31.6918908686 ))) 
6 0.1 0.1 peak 1040 volume 15.50060 ppm1 2.518 ppm2 4.427
 
! ############### c13noe.1041 folded +
assi (attr store1 < 2.126 and attr store1 > 2.026 )
     ((attr store1 < 2.503 and attr store1 > 2.443 ) and 
      (bondedto (attr store1 < 127.972109131  and attr store1 > 127.172109131 ) or 
       bondedto (attr store1 < 80.248  and attr store1 > 79.448 ) or 
       bondedto (attr store1 < 32.5238908686  and attr store1 > 31.7238908686 ))) 
6 0.1 0.1 peak 1041 volume 29.87062 ppm1 2.473 ppm2 2.076
 
! ############### c13noe.1042 folded +
assi (attr store1 < 8.411 and attr store1 > 8.311 )
     ((attr store1 < 2.331 and attr store1 > 2.271 ) and 
      (bondedto (attr store1 < 127.916109131  and attr store1 > 127.116109131 ) or 
       bondedto (attr store1 < 80.192  and attr store1 > 79.392 ) or 
       bondedto (attr store1 < 32.4678908686  and attr store1 > 31.6678908686 ))) 
6 0.1 0.1 peak 1042 volume 13.26721 ppm1 2.301 ppm2 8.361
 
! ############### c13noe.1043 folded +
assi (attr store1 < 4.062 and attr store1 > 3.962 )
     ((attr store1 < 2.332 and attr store1 > 2.272 ) and 
      (bondedto (attr store1 < 127.895109131  and attr store1 > 127.095109131 ) or 
       bondedto (attr store1 < 80.171  and attr store1 > 79.371 ) or 
       bondedto (attr store1 < 32.4468908686  and attr store1 > 31.6468908686 ))) 
6 0.1 0.1 peak 1043 volume 14.27573 ppm1 2.302 ppm2 4.012
 
! ############### c13noe.1044 folded +
assi (attr store1 < 3.836 and attr store1 > 3.736 )
     ((attr store1 < 2.333 and attr store1 > 2.273 ) and 
      (bondedto (attr store1 < 127.900109131  and attr store1 > 127.100109131 ) or 
       bondedto (attr store1 < 80.176  and attr store1 > 79.376 ) or 
       bondedto (attr store1 < 32.4518908686  and attr store1 > 31.6518908686 ))) 
6 0.1 0.1 peak 1044 volume 16.15406 ppm1 2.303 ppm2 3.786
 
! ############### c13noe.1045 folded +
assi (attr store1 < 8.235 and attr store1 > 8.135 )
     ((attr store1 < 2.328 and attr store1 > 2.268 ) and 
      (bondedto (attr store1 < 127.881109131  and attr store1 > 127.081109131 ) or 
       bondedto (attr store1 < 80.157  and attr store1 > 79.357 ) or 
       bondedto (attr store1 < 32.4328908686  and attr store1 > 31.6328908686 ))) 
6 0.1 0.1 peak 1045 volume 24.58024 ppm1 2.298 ppm2 8.185
 
! ############### c13noe.1046 folded +
assi (attr store1 < 0.973 and attr store1 > 0.873 )
     ((attr store1 < 1.925 and attr store1 > 1.865 ) and 
      (bondedto (attr store1 < 127.904109131  and attr store1 > 127.104109131 ) or 
       bondedto (attr store1 < 80.18  and attr store1 > 79.38 ) or 
       bondedto (attr store1 < 32.4558908686  and attr store1 > 31.6558908686 ))) 
6 0.1 0.1 peak 1046 volume 24.27247 ppm1 1.895 ppm2 0.923
 
! ############### c13noe.1047 folded +
assi (attr store1 < 4.064 and attr store1 > 3.964 )
     ((attr store1 < 1.875 and attr store1 > 1.815 ) and 
      (bondedto (attr store1 < 127.885109131  and attr store1 > 127.085109131 ) or 
       bondedto (attr store1 < 80.161  and attr store1 > 79.361 ) or 
       bondedto (attr store1 < 32.4368908686  and attr store1 > 31.6368908686 ))) 
6 0.1 0.1 peak 1047 volume 7.01937 ppm1 1.845 ppm2 4.014
 
! ############### c13noe.1048 folded +
assi (attr store1 < 3.854 and attr store1 > 3.754 )
     ((attr store1 < 1.86 and attr store1 > 1.8 ) and 
      (bondedto (attr store1 < 127.964109131  and attr store1 > 127.164109131 ) or 
       bondedto (attr store1 < 80.24  and attr store1 > 79.44 ) or 
       bondedto (attr store1 < 32.5158908686  and attr store1 > 31.7158908686 ))) 
6 0.1 0.1 peak 1048 volume 9.09016 ppm1 1.830 ppm2 3.804
 
! ############### c13noe.1049 folded -
assi (attr store1 < 1.116 and attr store1 > 1.016 )
     ((attr store1 < 1.209 and attr store1 > 1.149 ) and 
      (bondedto (attr store1 < 104.025054566  and attr store1 > 103.225054566 ) or 
       bondedto (attr store1 < 151.749163697  and attr store1 > 150.949163697) or 
       bondedto (attr store1 < 56.3009454343  and attr store1 > 55.5009454343 ))) 
6 0.1 0.1 peak 1049 volume 16.24834 ppm1 1.179 ppm2 1.066
 
! ############### c13noe.1050 folded +
assi (attr store1 < 3.211 and attr store1 > 3.111 )
     ((attr store1 < 3.296 and attr store1 > 3.236 ) and 
      (bondedto (attr store1 < 127.818109131  and attr store1 > 127.018109131 ) or 
       bondedto (attr store1 < 80.094  and attr store1 > 79.294 ) or 
       bondedto (attr store1 < 32.3698908686  and attr store1 > 31.5698908686 ))) 
6 0.1 0.1 peak 1050 volume 17.68170 ppm1 3.266 ppm2 3.161
 
! ############### c13noe.1051 folded +
assi (attr store1 < 3.308 and attr store1 > 3.208 )
     ((attr store1 < 3.199 and attr store1 > 3.139 ) and 
      (bondedto (attr store1 < 127.847109131  and attr store1 > 127.047109131 ) or 
       bondedto (attr store1 < 80.123  and attr store1 > 79.323 ) or 
       bondedto (attr store1 < 32.3988908686  and attr store1 > 31.5988908686 ))) 
6 0.1 0.1 peak 1051 volume 25.28390 ppm1 3.169 ppm2 3.258
 
! ############### c13noe.1052 folded +
assi (attr store1 < 4.334 and attr store1 > 4.234 )
     ((attr store1 < 2.788 and attr store1 > 2.728 ) and 
      (bondedto (attr store1 < 127.856109131  and attr store1 > 127.056109131 ) or 
       bondedto (attr store1 < 80.132  and attr store1 > 79.332 ) or 
       bondedto (attr store1 < 32.4078908686  and attr store1 > 31.6078908686 ))) 
6 0.1 0.1 peak 1052 volume 22.21023 ppm1 2.758 ppm2 4.284
 
! ############### c13noe.1053 folded +
assi (attr store1 < 4.04 and attr store1 > 3.94 )
     ((attr store1 < 2.79 and attr store1 > 2.73 ) and 
      (bondedto (attr store1 < 127.840109131  and attr store1 > 127.040109131 ) or 
       bondedto (attr store1 < 80.116  and attr store1 > 79.316 ) or 
       bondedto (attr store1 < 32.3918908686  and attr store1 > 31.5918908686 ))) 
6 0.1 0.1 peak 1053 volume 17.09870 ppm1 2.760 ppm2 3.990
 
! ############### c13noe.1054 folded +
assi (attr store1 < 2.721 and attr store1 > 2.621 )
     ((attr store1 < 2.789 and attr store1 > 2.729 ) and 
      (bondedto (attr store1 < 127.862109131  and attr store1 > 127.062109131 ) or 
       bondedto (attr store1 < 80.138  and attr store1 > 79.338 ) or 
       bondedto (attr store1 < 32.4138908686  and attr store1 > 31.6138908686 ))) 
6 0.1 0.1 peak 1054 volume 386.96130 ppm1 2.759 ppm2 2.671
 
! ############### c13noe.1055 folded +
assi (attr store1 < 2.509 and attr store1 > 2.409 )
     ((attr store1 < 2.789 and attr store1 > 2.729 ) and 
      (bondedto (attr store1 < 127.856109131  and attr store1 > 127.056109131 ) or 
       bondedto (attr store1 < 80.132  and attr store1 > 79.332 ) or 
       bondedto (attr store1 < 32.4078908686  and attr store1 > 31.6078908686 ))) 
6 0.1 0.1 peak 1055 volume 27.86384 ppm1 2.759 ppm2 2.459
 
! ############### c13noe.1056 folded +
assi (attr store1 < 2.062 and attr store1 > 1.962 )
     ((attr store1 < 2.79 and attr store1 > 2.73 ) and 
      (bondedto (attr store1 < 127.844109131  and attr store1 > 127.044109131 ) or 
       bondedto (attr store1 < 80.12  and attr store1 > 79.32 ) or 
       bondedto (attr store1 < 32.3958908686  and attr store1 > 31.5958908686 ))) 
6 0.1 0.1 peak 1056 volume 8.99226 ppm1 2.760 ppm2 2.012
 
! ############### c13noe.1057 folded +
assi (attr store1 < 4.337 and attr store1 > 4.237 )
     ((attr store1 < 2.7 and attr store1 > 2.64 ) and 
      (bondedto (attr store1 < 127.865109131  and attr store1 > 127.065109131 ) or 
       bondedto (attr store1 < 80.141  and attr store1 > 79.341 ) or 
       bondedto (attr store1 < 32.4168908686  and attr store1 > 31.6168908686 ))) 
6 0.1 0.1 peak 1057 volume 21.88509 ppm1 2.670 ppm2 4.287
 
! ############### c13noe.1058 folded +
assi (attr store1 < 7.877 and attr store1 > 7.777 )
     ((attr store1 < 2.696 and attr store1 > 2.636 ) and 
      (bondedto (attr store1 < 127.855109131  and attr store1 > 127.055109131 ) or 
       bondedto (attr store1 < 80.131  and attr store1 > 79.331 ) or 
       bondedto (attr store1 < 32.4068908686  and attr store1 > 31.6068908686 ))) 
6 0.1 0.1 peak 1058 volume 17.84443 ppm1 2.666 ppm2 7.827
 
! ############### c13noe.1059 folded +
assi (attr store1 < 4.037 and attr store1 > 3.937 )
     ((attr store1 < 2.696 and attr store1 > 2.636 ) and 
      (bondedto (attr store1 < 127.856109131  and attr store1 > 127.056109131 ) or 
       bondedto (attr store1 < 80.132  and attr store1 > 79.332 ) or 
       bondedto (attr store1 < 32.4078908686  and attr store1 > 31.6078908686 ))) 
6 0.1 0.1 peak 1059 volume 14.73640 ppm1 2.666 ppm2 3.987
 
! ############### c13noe.1060 folded +
assi (attr store1 < 2.808 and attr store1 > 2.708 )
     ((attr store1 < 2.694 and attr store1 > 2.634 ) and 
      (bondedto (attr store1 < 127.872109131  and attr store1 > 127.072109131 ) or 
       bondedto (attr store1 < 80.148  and attr store1 > 79.348 ) or 
       bondedto (attr store1 < 32.4238908686  and attr store1 > 31.6238908686 ))) 
6 0.1 0.1 peak 1060 volume 349.51654 ppm1 2.664 ppm2 2.758
 
! ############### c13noe.1061 folded +
assi (attr store1 < 2.136 and attr store1 > 2.036 )
     ((attr store1 < 2.692 and attr store1 > 2.632 ) and 
      (bondedto (attr store1 < 127.876109131  and attr store1 > 127.076109131 ) or 
       bondedto (attr store1 < 80.152  and attr store1 > 79.352 ) or 
       bondedto (attr store1 < 32.4278908686  and attr store1 > 31.6278908686 ))) 
6 0.1 0.1 peak 1061 volume 11.62405 ppm1 2.662 ppm2 2.086
 
! ############### c13noe.1062 folded +
assi (attr store1 < 1.005 and attr store1 > 0.905 )
     ((attr store1 < 2.693 and attr store1 > 2.633 ) and 
      (bondedto (attr store1 < 127.869109131  and attr store1 > 127.069109131 ) or 
       bondedto (attr store1 < 80.145  and attr store1 > 79.345 ) or 
       bondedto (attr store1 < 32.4208908686  and attr store1 > 31.6208908686 ))) 
6 0.1 0.1 peak 1062 volume 11.73223 ppm1 2.663 ppm2 0.955
 
! ############### c13noe.1063 folded +
assi (attr store1 < 7.483 and attr store1 > 7.383 )
     ((attr store1 < 2.488 and attr store1 > 2.428 ) and 
      (bondedto (attr store1 < 127.849109131  and attr store1 > 127.049109131 ) or 
       bondedto (attr store1 < 80.125  and attr store1 > 79.325 ) or 
       bondedto (attr store1 < 32.4008908686  and attr store1 > 31.6008908686 ))) 
6 0.1 0.1 peak 1063 volume 22.00564 ppm1 2.458 ppm2 7.433
 
! ############### c13noe.1064 folded +
assi (attr store1 < 4.436 and attr store1 > 4.336 )
     ((attr store1 < 2.489 and attr store1 > 2.429 ) and 
      (bondedto (attr store1 < 127.839109131  and attr store1 > 127.039109131 ) or 
       bondedto (attr store1 < 80.115  and attr store1 > 79.315 ) or 
       bondedto (attr store1 < 32.3908908686  and attr store1 > 31.5908908686 ))) 
6 0.1 0.1 peak 1064 volume 50.05324 ppm1 2.459 ppm2 4.386
 
! ############### c13noe.1065 folded +
assi (attr store1 < 1.066 and attr store1 > 0.966 )
     ((attr store1 < 2.488 and attr store1 > 2.428 ) and 
      (bondedto (attr store1 < 127.830109131  and attr store1 > 127.030109131 ) or 
       bondedto (attr store1 < 80.106  and attr store1 > 79.306 ) or 
       bondedto (attr store1 < 32.3818908686  and attr store1 > 31.5818908686 ))) 
6 0.1 0.1 peak 1065 volume 80.70665 ppm1 2.458 ppm2 1.016
 
! ############### c13noe.1066 folded +
assi (attr store1 < 0.99 and attr store1 > 0.89 )
     ((attr store1 < 2.331 and attr store1 > 2.271 ) and 
      (bondedto (attr store1 < 127.821109131  and attr store1 > 127.021109131 ) or 
       bondedto (attr store1 < 80.097  and attr store1 > 79.297 ) or 
       bondedto (attr store1 < 32.3728908686  and attr store1 > 31.5728908686 ))) 
6 0.1 0.1 peak 1066 volume 48.23467 ppm1 2.301 ppm2 0.940
 
! ############### c13noe.1067 folded +
assi (attr store1 < 1.165 and attr store1 > 1.065 )
     ((attr store1 < 2.329 and attr store1 > 2.269 ) and 
      (bondedto (attr store1 < 127.861109131  and attr store1 > 127.061109131 ) or 
       bondedto (attr store1 < 80.137  and attr store1 > 79.337 ) or 
       bondedto (attr store1 < 32.4128908686  and attr store1 > 31.6128908686 ))) 
6 0.1 0.1 peak 1067 volume 39.47255 ppm1 2.299 ppm2 1.115
 
! ############### c13noe.1068 folded +
assi (attr store1 < 9.235 and attr store1 > 9.135 )
     ((attr store1 < 2.088 and attr store1 > 2.028 ) and 
      (bondedto (attr store1 < 127.808109131  and attr store1 > 127.008109131 ) or 
       bondedto (attr store1 < 80.084  and attr store1 > 79.284 ) or 
       bondedto (attr store1 < 32.3598908686  and attr store1 > 31.5598908686 ))) 
6 0.1 0.1 peak 1068 volume 10.40338 ppm1 2.058 ppm2 9.185
 
! ############### c13noe.1069 folded +
assi (attr store1 < 3.543 and attr store1 > 3.443 )
     ((attr store1 < 2.084 and attr store1 > 2.024 ) and 
      (bondedto (attr store1 < 127.839109131  and attr store1 > 127.039109131 ) or 
       bondedto (attr store1 < 80.115  and attr store1 > 79.315 ) or 
       bondedto (attr store1 < 32.3908908686  and attr store1 > 31.5908908686 ))) 
6 0.1 0.1 peak 1069 volume 11.74111 ppm1 2.054 ppm2 3.493
 
! ############### c13noe.1070 folded +
assi (attr store1 < 0.949 and attr store1 > 0.849 )
     ((attr store1 < 2.084 and attr store1 > 2.024 ) and 
      (bondedto (attr store1 < 127.840109131  and attr store1 > 127.040109131 ) or 
       bondedto (attr store1 < 80.116  and attr store1 > 79.316 ) or 
       bondedto (attr store1 < 32.3918908686  and attr store1 > 31.5918908686 ))) 
6 0.1 0.1 peak 1070 volume 59.57757 ppm1 2.054 ppm2 0.899
 
! ############### c13noe.1071 folded +
assi (attr store1 < 1.248 and attr store1 > 1.148 )
     ((attr store1 < 1.487 and attr store1 > 1.427 ) and 
      (bondedto (attr store1 < 127.843109131  and attr store1 > 127.043109131 ) or 
       bondedto (attr store1 < 80.119  and attr store1 > 79.319 ) or 
       bondedto (attr store1 < 32.3948908686  and attr store1 > 31.5948908686 ))) 
6 0.1 0.1 peak 1071 volume 15.00122 ppm1 1.457 ppm2 1.198
 
! ############### c13noe.1072 folded +
assi (attr store1 < 1.503 and attr store1 > 1.403 )
     ((attr store1 < 1.227 and attr store1 > 1.167 ) and 
      (bondedto (attr store1 < 127.846109131  and attr store1 > 127.046109131 ) or 
       bondedto (attr store1 < 80.122  and attr store1 > 79.322 ) or 
       bondedto (attr store1 < 32.3978908686  and attr store1 > 31.5978908686 ))) 
6 0.1 0.1 peak 1072 volume 13.51167 ppm1 1.197 ppm2 1.453
 
! ############### c13noe.1073 folded -
assi (attr store1 < 8.712 and attr store1 > 8.612 )
     ((attr store1 < 4.013 and attr store1 > 3.953 ) and 
      (bondedto (attr store1 < 103.964054566  and attr store1 > 103.164054566 ) or 
       bondedto (attr store1 < 151.688163697  and attr store1 > 150.888163697) or 
       bondedto (attr store1 < 56.2399454343  and attr store1 > 55.4399454343 ))) 
6 0.1 0.1 peak 1073 volume 19.8592 ppm1 3.983 ppm2 8.662
 
! ############### c13noe.1074 folded -
assi (attr store1 < 1.641 and attr store1 > 1.541 )
     ((attr store1 < 4.014 and attr store1 > 3.954 ) and 
      (bondedto (attr store1 < 103.942054566  and attr store1 > 103.142054566 ) or 
       bondedto (attr store1 < 151.666163697  and attr store1 > 150.866163697) or 
       bondedto (attr store1 < 56.2179454343  and attr store1 > 55.4179454343 ))) 
6 0.1 0.1 peak 1074 volume 54.80275 ppm1 3.984 ppm2 1.591
 
! ############### c13noe.1075 folded -
assi (attr store1 < 2.007 and attr store1 > 1.907 )
     ((attr store1 < 4.011 and attr store1 > 3.951 ) and 
      (bondedto (attr store1 < 103.948054566  and attr store1 > 103.148054566 ) or 
       bondedto (attr store1 < 151.672163697  and attr store1 > 150.872163697) or 
       bondedto (attr store1 < 56.2239454343  and attr store1 > 55.4239454343 ))) 
6 0.1 0.1 peak 1075 volume 15.5839 ppm1 3.981 ppm2 1.957
 
! ############### c13noe.1076 folded -
assi (attr store1 < 0.944 and attr store1 > 0.844 )
     ((attr store1 < 4.009 and attr store1 > 3.949 ) and 
      (bondedto (attr store1 < 104.006054566  and attr store1 > 103.206054566 ) or 
       bondedto (attr store1 < 151.730163697  and attr store1 > 150.930163697) or 
       bondedto (attr store1 < 56.2819454343  and attr store1 > 55.4819454343 ))) 
6 0.1 0.1 peak 1076 volume 41.90173 ppm1 3.979 ppm2 0.894
 
! ############### c13noe.1077 folded -
assi (attr store1 < 2.715 and attr store1 > 2.615 )
     ((attr store1 < 2.223 and attr store1 > 2.163 ) and 
      (bondedto (attr store1 < 103.987054566  and attr store1 > 103.187054566 ) or 
       bondedto (attr store1 < 151.711163697  and attr store1 > 150.911163697) or 
       bondedto (attr store1 < 56.2629454343  and attr store1 > 55.4629454343 ))) 
6 0.1 0.1 peak 1077 volume 10.8177 ppm1 2.193 ppm2 2.665
 
! ############### c13noe.1078 folded -
assi (attr store1 < 2.806 and attr store1 > 2.706 )
     ((attr store1 < 2.208 and attr store1 > 2.148 ) and 
      (bondedto (attr store1 < 103.991054566  and attr store1 > 103.191054566 ) or 
       bondedto (attr store1 < 151.715163697  and attr store1 > 150.915163697) or 
       bondedto (attr store1 < 56.2669454343  and attr store1 > 55.4669454343 ))) 
6 0.1 0.1 peak 1078 volume 10.70628 ppm1 2.178 ppm2 2.756
 
! ############### c13noe.1079 folded +
assi (attr store1 < 4.81 and attr store1 > 4.71 )
     ((attr store1 < 2.257 and attr store1 > 2.197 ) and 
      (bondedto (attr store1 < 127.710109131  and attr store1 > 126.910109131 ) or 
       bondedto (attr store1 < 79.986  and attr store1 > 79.186 ) or 
       bondedto (attr store1 < 32.2618908686  and attr store1 > 31.4618908686 ))) 
6 0.1 0.1 peak 1079 volume 23.45195 ppm1 2.227 ppm2 4.760
 
! ############### c13noe.1080 folded +
assi (attr store1 < 4.813 and attr store1 > 4.713 )
     ((attr store1 < 2.097 and attr store1 > 2.037 ) and 
      (bondedto (attr store1 < 127.708109131  and attr store1 > 126.908109131 ) or 
       bondedto (attr store1 < 79.984  and attr store1 > 79.184 ) or 
       bondedto (attr store1 < 32.2598908686  and attr store1 > 31.4598908686 ))) 
6 0.1 0.1 peak 1080 volume 25.92451 ppm1 2.067 ppm2 4.763
 
! ############### c13noe.1081 folded +
assi (attr store1 < 3.848 and attr store1 > 3.748 )
     ((attr store1 < 2.099 and attr store1 > 2.039 ) and 
      (bondedto (attr store1 < 127.726109131  and attr store1 > 126.926109131 ) or 
       bondedto (attr store1 < 80.002  and attr store1 > 79.202 ) or 
       bondedto (attr store1 < 32.2778908686  and attr store1 > 31.4778908686 ))) 
6 0.1 0.1 peak 1081 volume 8.46685 ppm1 2.069 ppm2 3.798
 
! ############### c13noe.1082 folded +
assi (attr store1 < 2.281 and attr store1 > 2.181 )
     ((attr store1 < 2.095 and attr store1 > 2.035 ) and 
      (bondedto (attr store1 < 127.700109131  and attr store1 > 126.900109131 ) or 
       bondedto (attr store1 < 79.976  and attr store1 > 79.176 ) or 
       bondedto (attr store1 < 32.2518908686  and attr store1 > 31.4518908686 ))) 
6 0.1 0.1 peak 1082 volume 73.13068 ppm1 2.065 ppm2 2.231
 
! ############### c13noe.1083 folded +
assi (attr store1 < 3.66 and attr store1 > 3.56 )
     ((attr store1 < 2.091 and attr store1 > 2.031 ) and 
      (bondedto (attr store1 < 127.726109131  and attr store1 > 126.926109131 ) or 
       bondedto (attr store1 < 80.002  and attr store1 > 79.202 ) or 
       bondedto (attr store1 < 32.2778908686  and attr store1 > 31.4778908686 ))) 
6 0.1 0.1 peak 1083 volume 7.07457 ppm1 2.061 ppm2 3.610
 
! ############### c13noe.1084 folded +
assi (attr store1 < 8.035 and attr store1 > 7.935 )
     ((attr store1 < 2.088 and attr store1 > 2.028 ) and 
      (bondedto (attr store1 < 127.742109131  and attr store1 > 126.942109131 ) or 
       bondedto (attr store1 < 80.018  and attr store1 > 79.218 ) or 
       bondedto (attr store1 < 32.2938908686  and attr store1 > 31.4938908686 ))) 
6 0.1 0.1 peak 1084 volume 31.90129 ppm1 2.058 ppm2 7.985
 
! ############### c13noe.1085 folded +
assi (attr store1 < 3.62 and attr store1 > 3.52 )
     ((attr store1 < 2.346 and attr store1 > 2.286 ) and 
      (bondedto (attr store1 < 127.646109131  and attr store1 > 126.846109131 ) or 
       bondedto (attr store1 < 79.922  and attr store1 > 79.122 ) or 
       bondedto (attr store1 < 32.1978908686  and attr store1 > 31.3978908686 ))) 
6 0.1 0.1 peak 1085 volume 10.92178 ppm1 2.316 ppm2 3.570
 
! ############### c13noe.1086 folded +
assi (attr store1 < 1.087 and attr store1 > 0.987 )
     ((attr store1 < 2.346 and attr store1 > 2.286 ) and 
      (bondedto (attr store1 < 127.631109131  and attr store1 > 126.831109131 ) or 
       bondedto (attr store1 < 79.907  and attr store1 > 79.107 ) or 
       bondedto (attr store1 < 32.1828908686  and attr store1 > 31.3828908686 ))) 
6 0.1 0.1 peak 1086 volume 33.40176 ppm1 2.316 ppm2 1.037
 
! ############### c13noe.1087 folded +
assi (attr store1 < 3.849 and attr store1 > 3.749 )
     ((attr store1 < 2.262 and attr store1 > 2.202 ) and 
      (bondedto (attr store1 < 127.633109131  and attr store1 > 126.833109131 ) or 
       bondedto (attr store1 < 79.909  and attr store1 > 79.109 ) or 
       bondedto (attr store1 < 32.1848908686  and attr store1 > 31.3848908686 ))) 
6 0.1 0.1 peak 1087 volume 8.98120 ppm1 2.232 ppm2 3.799
 
! ############### c13noe.1088 folded +
assi (attr store1 < 3.648 and attr store1 > 3.548 )
     ((attr store1 < 2.106 and attr store1 > 2.046 ) and 
      (bondedto (attr store1 < 127.629109131  and attr store1 > 126.829109131 ) or 
       bondedto (attr store1 < 79.905  and attr store1 > 79.105 ) or 
       bondedto (attr store1 < 32.1808908686  and attr store1 > 31.3808908686 ))) 
6 0.1 0.1 peak 1088 volume 6.98098 ppm1 2.076 ppm2 3.598
 
! ############### c13noe.1089 folded +
assi (attr store1 < 3.007 and attr store1 > 2.907 )
     ((attr store1 < 2.102 and attr store1 > 2.042 ) and 
      (bondedto (attr store1 < 127.650109131  and attr store1 > 126.850109131 ) or 
       bondedto (attr store1 < 79.926  and attr store1 > 79.126 ) or 
       bondedto (attr store1 < 32.2018908686  and attr store1 > 31.4018908686 ))) 
6 0.1 0.1 peak 1089 volume 9.98937 ppm1 2.072 ppm2 2.957
 
! ############### c13noe.1090 folded +
assi (attr store1 < 7.862 and attr store1 > 7.762 )
     ((attr store1 < 2.092 and attr store1 > 2.032 ) and 
      (bondedto (attr store1 < 127.624109131  and attr store1 > 126.824109131 ) or 
       bondedto (attr store1 < 79.9  and attr store1 > 79.1 ) or 
       bondedto (attr store1 < 32.1758908686  and attr store1 > 31.3758908686 ))) 
6 0.1 0.1 peak 1090 volume 32.57477 ppm1 2.062 ppm2 7.812
 
! ############### c13noe.1091 folded +
assi (attr store1 < 4.162 and attr store1 > 4.062 )
     ((attr store1 < 2.09 and attr store1 > 2.03 ) and 
      (bondedto (attr store1 < 127.648109131  and attr store1 > 126.848109131 ) or 
       bondedto (attr store1 < 79.924  and attr store1 > 79.124 ) or 
       bondedto (attr store1 < 32.1998908686  and attr store1 > 31.3998908686 ))) 
6 0.1 0.1 peak 1091 volume 22.26684 ppm1 2.060 ppm2 4.112
 
! ############### c13noe.1092 folded +
assi (attr store1 < 4.061 and attr store1 > 3.961 )
     ((attr store1 < 2.094 and attr store1 > 2.034 ) and 
      (bondedto (attr store1 < 127.680109131  and attr store1 > 126.880109131 ) or 
       bondedto (attr store1 < 79.956  and attr store1 > 79.156 ) or 
       bondedto (attr store1 < 32.2318908686  and attr store1 > 31.4318908686 ))) 
6 0.1 0.1 peak 1092 volume 43.33962 ppm1 2.064 ppm2 4.011
 
! ############### c13noe.1093 folded +
assi (attr store1 < 1.699 and attr store1 > 1.599 )
     ((attr store1 < 2.089 and attr store1 > 2.029 ) and 
      (bondedto (attr store1 < 127.619109131  and attr store1 > 126.819109131 ) or 
       bondedto (attr store1 < 79.895  and attr store1 > 79.095 ) or 
       bondedto (attr store1 < 32.1708908686  and attr store1 > 31.3708908686 ))) 
6 0.1 0.1 peak 1093 volume 29.24931 ppm1 2.059 ppm2 1.649
 
! ############### c13noe.1094 folded +
assi (attr store1 < 1.473 and attr store1 > 1.373 )
     ((attr store1 < 2.091 and attr store1 > 2.031 ) and 
      (bondedto (attr store1 < 127.668109131  and attr store1 > 126.868109131 ) or 
       bondedto (attr store1 < 79.944  and attr store1 > 79.144 ) or 
       bondedto (attr store1 < 32.2198908686  and attr store1 > 31.4198908686 ))) 
6 0.1 0.1 peak 1094 volume 24.93300 ppm1 2.061 ppm2 1.423
 
! ############### c13noe.1095 folded -
assi (attr store1 < 7.877 and attr store1 > 7.777 )
     ((attr store1 < 4.211 and attr store1 > 4.151 ) and 
      (bondedto (attr store1 < 103.751054566  and attr store1 > 102.951054566 ) or 
       bondedto (attr store1 < 151.475163697  and attr store1 > 150.675163697) or 
       bondedto (attr store1 < 56.0269454343  and attr store1 > 55.2269454343 ))) 
6 0.1 0.1 peak 1095 volume 10.38701 ppm1 4.181 ppm2 7.827
 
! ############### c13noe.1096 folded -
assi (attr store1 < 2.919 and attr store1 > 2.819 )
     ((attr store1 < 4.167 and attr store1 > 4.107 ) and 
      (bondedto (attr store1 < 103.793054566  and attr store1 > 102.993054566 ) or 
       bondedto (attr store1 < 151.517163697  and attr store1 > 150.717163697) or 
       bondedto (attr store1 < 56.0689454343  and attr store1 > 55.2689454343 ))) 
6 0.1 0.1 peak 1096 volume 18.19851 ppm1 4.137 ppm2 2.869
 
! ############### c13noe.1097 folded -
assi (attr store1 < 8.507 and attr store1 > 8.407 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 103.803054566  and attr store1 > 103.003054566 ) or 
       bondedto (attr store1 < 151.527163697  and attr store1 > 150.727163697) or 
       bondedto (attr store1 < 56.0789454343  and attr store1 > 55.2789454343 ))) 
6 0.1 0.1 peak 1097 volume 30.32993 ppm1 4.132 ppm2 8.457
 
! ############### c13noe.1098 folded -
assi (attr store1 < 1.605 and attr store1 > 1.505 )
     ((attr store1 < 4.161 and attr store1 > 4.101 ) and 
      (bondedto (attr store1 < 103.772054566  and attr store1 > 102.972054566 ) or 
       bondedto (attr store1 < 151.496163697  and attr store1 > 150.696163697) or 
       bondedto (attr store1 < 56.0479454343  and attr store1 > 55.2479454343 ))) 
6 0.1 0.1 peak 1098 volume 85.43442 ppm1 4.131 ppm2 1.555
 
! ############### c13noe.1099 folded -
assi (attr store1 < 0.951 and attr store1 > 0.851 )
     ((attr store1 < 4.161 and attr store1 > 4.101 ) and 
      (bondedto (attr store1 < 103.770054566  and attr store1 > 102.970054566 ) or 
       bondedto (attr store1 < 151.494163697  and attr store1 > 150.694163697) or 
       bondedto (attr store1 < 56.0459454343  and attr store1 > 55.2459454343 ))) 
6 0.1 0.1 peak 1099 volume 57.04964 ppm1 4.131 ppm2 0.901
 
! ############### c13noe.1100 folded -
assi (attr store1 < 2.707 and attr store1 > 2.607 )
     ((attr store1 < 4.16 and attr store1 > 4.1 ) and 
      (bondedto (attr store1 < 103.787054566  and attr store1 > 102.987054566 ) or 
       bondedto (attr store1 < 151.511163697  and attr store1 > 150.711163697) or 
       bondedto (attr store1 < 56.0629454343  and attr store1 > 55.2629454343 ))) 
6 0.1 0.1 peak 1100 volume 12.13588 ppm1 4.130 ppm2 2.657
 
! ############### c13noe.1101 folded -
assi (attr store1 < 0.952 and attr store1 > 0.852 )
     ((attr store1 < 4.15 and attr store1 > 4.09 ) and 
      (bondedto (attr store1 < 103.771054566  and attr store1 > 102.971054566 ) or 
       bondedto (attr store1 < 151.495163697  and attr store1 > 150.695163697) or 
       bondedto (attr store1 < 56.0469454343  and attr store1 > 55.2469454343 ))) 
6 0.1 0.1 peak 1101 volume 57.98579 ppm1 4.120 ppm2 0.902
 
! ############### c13noe.1102 folded -
assi (attr store1 < 7.774 and attr store1 > 7.674 )
     ((attr store1 < 4.143 and attr store1 > 4.083 ) and 
      (bondedto (attr store1 < 103.764054566  and attr store1 > 102.964054566 ) or 
       bondedto (attr store1 < 151.488163697  and attr store1 > 150.688163697) or 
       bondedto (attr store1 < 56.0399454343  and attr store1 > 55.2399454343 ))) 
6 0.1 0.1 peak 1102 volume 10.48211 ppm1 4.113 ppm2 7.724
 
! ############### c13noe.1103 folded -
assi (attr store1 < 2.369 and attr store1 > 2.269 )
     ((attr store1 < 4.141 and attr store1 > 4.081 ) and 
      (bondedto (attr store1 < 103.744054566  and attr store1 > 102.944054566 ) or 
       bondedto (attr store1 < 151.468163697  and attr store1 > 150.668163697) or 
       bondedto (attr store1 < 56.0199454343  and attr store1 > 55.2199454343 ))) 
6 0.1 0.1 peak 1103 volume 10.53943 ppm1 4.111 ppm2 2.319
 
! ############### c13noe.1104 folded +
assi (attr store1 < 0.936 and attr store1 > 0.836 )
     ((attr store1 < 2.584 and attr store1 > 2.524 ) and 
      (bondedto (attr store1 < 127.558109131  and attr store1 > 126.758109131 ) or 
       bondedto (attr store1 < 79.834  and attr store1 > 79.034 ) or 
       bondedto (attr store1 < 32.1098908686  and attr store1 > 31.3098908686 ))) 
6 0.1 0.1 peak 1104 volume 9.30353 ppm1 2.554 ppm2 0.886
 
! ############### c13noe.1105 folded +
assi (attr store1 < 4.1 and attr store1 > 4.0 )
     ((attr store1 < 2.582 and attr store1 > 2.522 ) and 
      (bondedto (attr store1 < 127.546109131  and attr store1 > 126.746109131 ) or 
       bondedto (attr store1 < 79.822  and attr store1 > 79.022 ) or 
       bondedto (attr store1 < 32.0978908686  and attr store1 > 31.2978908686 ))) 
6 0.1 0.1 peak 1105 volume 15.67214 ppm1 2.552 ppm2 4.050
 
! ############### c13noe.1106 folded +
assi (attr store1 < 1.631 and attr store1 > 1.531 )
     ((attr store1 < 2.581 and attr store1 > 2.521 ) and 
      (bondedto (attr store1 < 127.574109131  and attr store1 > 126.774109131 ) or 
       bondedto (attr store1 < 79.85  and attr store1 > 79.05 ) or 
       bondedto (attr store1 < 32.1258908686  and attr store1 > 31.3258908686 ))) 
6 0.1 0.1 peak 1106 volume 8.36397 ppm1 2.551 ppm2 1.581
 
! ############### c13noe.1107 folded +
assi (attr store1 < 1.083 and attr store1 > 0.983 )
     ((attr store1 < 2.581 and attr store1 > 2.521 ) and 
      (bondedto (attr store1 < 127.560109131  and attr store1 > 126.760109131 ) or 
       bondedto (attr store1 < 79.836  and attr store1 > 79.036 ) or 
       bondedto (attr store1 < 32.1118908686  and attr store1 > 31.3118908686 ))) 
6 0.1 0.1 peak 1107 volume 17.00853 ppm1 2.551 ppm2 1.033
 
! ############### c13noe.1108 folded +
assi (attr store1 < 0.655 and attr store1 > 0.555 )
     ((attr store1 < 2.582 and attr store1 > 2.522 ) and 
      (bondedto (attr store1 < 127.552109131  and attr store1 > 126.752109131 ) or 
       bondedto (attr store1 < 79.828  and attr store1 > 79.028 ) or 
       bondedto (attr store1 < 32.1038908686  and attr store1 > 31.3038908686 ))) 
6 0.1 0.1 peak 1108 volume 7.49467 ppm1 2.552 ppm2 0.605
 
! ############### c13noe.1109 folded +
assi (attr store1 < 4.575 and attr store1 > 4.475 )
     ((attr store1 < 2.454 and attr store1 > 2.394 ) and 
      (bondedto (attr store1 < 127.559109131  and attr store1 > 126.759109131 ) or 
       bondedto (attr store1 < 79.835  and attr store1 > 79.035 ) or 
       bondedto (attr store1 < 32.1108908686  and attr store1 > 31.3108908686 ))) 
6 0.1 0.1 peak 1109 volume 7.17015 ppm1 2.424 ppm2 4.525
 
! ############### c13noe.1110 folded +
assi (attr store1 < 1.617 and attr store1 > 1.517 )
     ((attr store1 < 2.444 and attr store1 > 2.384 ) and 
      (bondedto (attr store1 < 127.523109131  and attr store1 > 126.723109131 ) or 
       bondedto (attr store1 < 79.799  and attr store1 > 78.999 ) or 
       bondedto (attr store1 < 32.0748908686  and attr store1 > 31.2748908686 ))) 
6 0.1 0.1 peak 1110 volume 9.48305 ppm1 2.414 ppm2 1.567
 
! ############### c13noe.1111 folded +
assi (attr store1 < 1.713 and attr store1 > 1.613 )
     ((attr store1 < 2.371 and attr store1 > 2.311 ) and 
      (bondedto (attr store1 < 127.507109131  and attr store1 > 126.707109131 ) or 
       bondedto (attr store1 < 79.783  and attr store1 > 78.983 ) or 
       bondedto (attr store1 < 32.0588908686  and attr store1 > 31.2588908686 ))) 
6 0.1 0.1 peak 1111 volume 17.39680 ppm1 2.341 ppm2 1.663
 
! ############### c13noe.1112 folded +
assi (attr store1 < 3.55 and attr store1 > 3.45 )
     ((attr store1 < 2.355 and attr store1 > 2.295 ) and 
      (bondedto (attr store1 < 127.551109131  and attr store1 > 126.751109131 ) or 
       bondedto (attr store1 < 79.827  and attr store1 > 79.027 ) or 
       bondedto (attr store1 < 32.1028908686  and attr store1 > 31.3028908686 ))) 
6 0.1 0.1 peak 1112 volume 11.38815 ppm1 2.325 ppm2 3.500
 
! ############### c13noe.1113 folded +
assi (attr store1 < 7.348 and attr store1 > 7.248 )
     ((attr store1 < 2.349 and attr store1 > 2.289 ) and 
      (bondedto (attr store1 < 127.567109131  and attr store1 > 126.767109131 ) or 
       bondedto (attr store1 < 79.843  and attr store1 > 79.043 ) or 
       bondedto (attr store1 < 32.1188908686  and attr store1 > 31.3188908686 ))) 
6 0.1 0.1 peak 1113 volume 11.68613 ppm1 2.319 ppm2 7.298
 
! ############### c13noe.1114 folded +
assi (attr store1 < 4.022 and attr store1 > 3.922 )
     ((attr store1 < 2.35 and attr store1 > 2.29 ) and 
      (bondedto (attr store1 < 127.528109131  and attr store1 > 126.728109131 ) or 
       bondedto (attr store1 < 79.804  and attr store1 > 79.004 ) or 
       bondedto (attr store1 < 32.0798908686  and attr store1 > 31.2798908686 ))) 
6 0.1 0.1 peak 1114 volume 8.48968 ppm1 2.320 ppm2 3.972
 
! ############### c13noe.1115 folded +
assi (attr store1 < 3.639 and attr store1 > 3.539 )
     ((attr store1 < 2.346 and attr store1 > 2.286 ) and 
      (bondedto (attr store1 < 127.542109131  and attr store1 > 126.742109131 ) or 
       bondedto (attr store1 < 79.818  and attr store1 > 79.018 ) or 
       bondedto (attr store1 < 32.0938908686  and attr store1 > 31.2938908686 ))) 
6 0.1 0.1 peak 1115 volume 11.06697 ppm1 2.316 ppm2 3.589
 
! ############### c13noe.1116 folded +
assi (attr store1 < 0.83 and attr store1 > 0.73 )
     ((attr store1 < 2.346 and attr store1 > 2.286 ) and 
      (bondedto (attr store1 < 127.568109131  and attr store1 > 126.768109131 ) or 
       bondedto (attr store1 < 79.844  and attr store1 > 79.044 ) or 
       bondedto (attr store1 < 32.1198908686  and attr store1 > 31.3198908686 ))) 
6 0.1 0.1 peak 1116 volume 24.85603 ppm1 2.316 ppm2 0.780
 
! ############### c13noe.1117 folded +
assi (attr store1 < 4.097 and attr store1 > 3.997 )
     ((attr store1 < 2.301 and attr store1 > 2.241 ) and 
      (bondedto (attr store1 < 127.529109131  and attr store1 > 126.729109131 ) or 
       bondedto (attr store1 < 79.805  and attr store1 > 79.005 ) or 
       bondedto (attr store1 < 32.0808908686  and attr store1 > 31.2808908686 ))) 
6 0.1 0.1 peak 1117 volume 16.25308 ppm1 2.271 ppm2 4.047
 
! ############### c13noe.1118 folded +
assi (attr store1 < 2.109 and attr store1 > 2.009 )
     ((attr store1 < 1.678 and attr store1 > 1.618 ) and 
      (bondedto (attr store1 < 127.547109131  and attr store1 > 126.747109131 ) or 
       bondedto (attr store1 < 79.823  and attr store1 > 79.023 ) or 
       bondedto (attr store1 < 32.0988908686  and attr store1 > 31.2988908686 ))) 
6 0.1 0.1 peak 1118 volume 9.82846 ppm1 1.648 ppm2 2.059
 
! ############### c13noe.1119 folded -
assi (attr store1 < 0.965 and attr store1 > 0.865 )
     ((attr store1 < 4.366 and attr store1 > 4.306 ) and 
      (bondedto (attr store1 < 103.659054566  and attr store1 > 102.859054566 ) or 
       bondedto (attr store1 < 151.383163697  and attr store1 > 150.583163697) or 
       bondedto (attr store1 < 55.9349454343  and attr store1 > 55.1349454343 ))) 
6 0.1 0.1 peak 1119 volume 8.23041 ppm1 4.336 ppm2 0.915
 
! ############### c13noe.1120 folded -
assi (attr store1 < 8.29 and attr store1 > 8.19 )
     ((attr store1 < 4.208 and attr store1 > 4.148 ) and 
      (bondedto (attr store1 < 103.722054566  and attr store1 > 102.922054566 ) or 
       bondedto (attr store1 < 151.446163697  and attr store1 > 150.646163697) or 
       bondedto (attr store1 < 55.9979454343  and attr store1 > 55.1979454343 ))) 
6 0.1 0.1 peak 1120 volume 17.74566 ppm1 4.178 ppm2 8.240
 
! ############### c13noe.1121 folded -
assi (attr store1 < 1.827 and attr store1 > 1.727 )
     ((attr store1 < 4.207 and attr store1 > 4.147 ) and 
      (bondedto (attr store1 < 103.718054566  and attr store1 > 102.918054566 ) or 
       bondedto (attr store1 < 151.442163697  and attr store1 > 150.642163697) or 
       bondedto (attr store1 < 55.9939454343  and attr store1 > 55.1939454343 ))) 
6 0.1 0.1 peak 1121 volume 49.35973 ppm1 4.177 ppm2 1.777
 
! ############### c13noe.1122 folded -
assi (attr store1 < 1.349 and attr store1 > 1.249 )
     ((attr store1 < 4.207 and attr store1 > 4.147 ) and 
      (bondedto (attr store1 < 103.690054566  and attr store1 > 102.890054566 ) or 
       bondedto (attr store1 < 151.414163697  and attr store1 > 150.614163697) or 
       bondedto (attr store1 < 55.9659454343  and attr store1 > 55.1659454343 ))) 
6 0.1 0.1 peak 1122 volume 20.40713 ppm1 4.177 ppm2 1.299
 
! ############### c13noe.1123 folded -
assi (attr store1 < 2.055 and attr store1 > 1.955 )
     ((attr store1 < 4.203 and attr store1 > 4.143 ) and 
      (bondedto (attr store1 < 103.701054566  and attr store1 > 102.901054566 ) or 
       bondedto (attr store1 < 151.425163697  and attr store1 > 150.625163697) or 
       bondedto (attr store1 < 55.9769454343  and attr store1 > 55.1769454343 ))) 
6 0.1 0.1 peak 1123 volume 19.38414 ppm1 4.173 ppm2 2.005
 
! ############### c13noe.1124 folded +
assi (attr store1 < 8.463 and attr store1 > 8.363 )
     ((attr store1 < 2.438 and attr store1 > 2.378 ) and 
      (bondedto (attr store1 < 127.441109131  and attr store1 > 126.641109131 ) or 
       bondedto (attr store1 < 79.717  and attr store1 > 78.917 ) or 
       bondedto (attr store1 < 31.9928908686  and attr store1 > 31.1928908686 ))) 
6 0.1 0.1 peak 1124 volume 13.48417 ppm1 2.408 ppm2 8.413
 
! ############### c13noe.1125 folded +
assi (attr store1 < 1.003 and attr store1 > 0.903 )
     ((attr store1 < 2.438 and attr store1 > 2.378 ) and 
      (bondedto (attr store1 < 127.460109131  and attr store1 > 126.660109131 ) or 
       bondedto (attr store1 < 79.736  and attr store1 > 78.936 ) or 
       bondedto (attr store1 < 32.0118908686  and attr store1 > 31.2118908686 ))) 
6 0.1 0.1 peak 1125 volume 24.75264 ppm1 2.408 ppm2 0.953
 
! ############### c13noe.1126 folded +
assi (attr store1 < 3.649 and attr store1 > 3.549 )
     ((attr store1 < 2.433 and attr store1 > 2.373 ) and 
      (bondedto (attr store1 < 127.502109131  and attr store1 > 126.702109131 ) or 
       bondedto (attr store1 < 79.778  and attr store1 > 78.978 ) or 
       bondedto (attr store1 < 32.0538908686  and attr store1 > 31.2538908686 ))) 
6 0.1 0.1 peak 1126 volume 7.54109 ppm1 2.403 ppm2 3.599
 
! ############### c13noe.1127 folded +
assi (attr store1 < 3.386 and attr store1 > 3.286 )
     ((attr store1 < 2.431 and attr store1 > 2.371 ) and 
      (bondedto (attr store1 < 127.454109131  and attr store1 > 126.654109131 ) or 
       bondedto (attr store1 < 79.73  and attr store1 > 78.93 ) or 
       bondedto (attr store1 < 32.0058908686  and attr store1 > 31.2058908686 ))) 
6 0.1 0.1 peak 1127 volume 9.37609 ppm1 2.401 ppm2 3.336
 
! ############### c13noe.1128 folded +
assi (attr store1 < 1.169 and attr store1 > 1.069 )
     ((attr store1 < 2.433 and attr store1 > 2.373 ) and 
      (bondedto (attr store1 < 127.466109131  and attr store1 > 126.666109131 ) or 
       bondedto (attr store1 < 79.742  and attr store1 > 78.942 ) or 
       bondedto (attr store1 < 32.0178908686  and attr store1 > 31.2178908686 ))) 
6 0.1 0.1 peak 1128 volume 21.89415 ppm1 2.403 ppm2 1.119
 
! ############### c13noe.1129 folded +
assi (attr store1 < 7.683 and attr store1 > 7.583 )
     ((attr store1 < 2.373 and attr store1 > 2.313 ) and 
      (bondedto (attr store1 < 127.489109131  and attr store1 > 126.689109131 ) or 
       bondedto (attr store1 < 79.765  and attr store1 > 78.965 ) or 
       bondedto (attr store1 < 32.0408908686  and attr store1 > 31.2408908686 ))) 
6 0.1 0.1 peak 1129 volume 9.66900 ppm1 2.343 ppm2 7.633
 
! ############### c13noe.1130 folded +
assi (attr store1 < 1.576 and attr store1 > 1.476 )
     ((attr store1 < 2.371 and attr store1 > 2.311 ) and 
      (bondedto (attr store1 < 127.490109131  and attr store1 > 126.690109131 ) or 
       bondedto (attr store1 < 79.766  and attr store1 > 78.966 ) or 
       bondedto (attr store1 < 32.0418908686  and attr store1 > 31.2418908686 ))) 
6 0.1 0.1 peak 1130 volume 20.78700 ppm1 2.341 ppm2 1.526
 
! ############### c13noe.1131 folded +
assi (attr store1 < 3.632 and attr store1 > 3.532 )
     ((attr store1 < 2.294 and attr store1 > 2.234 ) and 
      (bondedto (attr store1 < 127.443109131  and attr store1 > 126.643109131 ) or 
       bondedto (attr store1 < 79.719  and attr store1 > 78.919 ) or 
       bondedto (attr store1 < 31.9948908686  and attr store1 > 31.1948908686 ))) 
6 0.1 0.1 peak 1131 volume 10.64952 ppm1 2.264 ppm2 3.582
 
! ############### c13noe.1132 folded +
assi (attr store1 < 1.95 and attr store1 > 1.85 )
     ((attr store1 < 1.752 and attr store1 > 1.692 ) and 
      (bondedto (attr store1 < 127.430109131  and attr store1 > 126.630109131 ) or 
       bondedto (attr store1 < 79.706  and attr store1 > 78.906 ) or 
       bondedto (attr store1 < 31.9818908686  and attr store1 > 31.1818908686 ))) 
6 0.1 0.1 peak 1132 volume 24.08782 ppm1 1.722 ppm2 1.900
 
! ############### c13noe.1133 folded +
assi (attr store1 < 4.016 and attr store1 > 3.916 )
     ((attr store1 < 1.702 and attr store1 > 1.642 ) and 
      (bondedto (attr store1 < 127.473109131  and attr store1 > 126.673109131 ) or 
       bondedto (attr store1 < 79.749  and attr store1 > 78.949 ) or 
       bondedto (attr store1 < 32.0248908686  and attr store1 > 31.2248908686 ))) 
6 0.1 0.1 peak 1133 volume 7.58824 ppm1 1.672 ppm2 3.966
 
! ############### c13noe.1134 folded +
assi (attr store1 < 2.395 and attr store1 > 2.295 )
     ((attr store1 < 1.701 and attr store1 > 1.641 ) and 
      (bondedto (attr store1 < 127.480109131  and attr store1 > 126.680109131 ) or 
       bondedto (attr store1 < 79.756  and attr store1 > 78.956 ) or 
       bondedto (attr store1 < 32.0318908686  and attr store1 > 31.2318908686 ))) 
6 0.1 0.1 peak 1134 volume 15.04819 ppm1 1.671 ppm2 2.345
 
! ############### c13noe.1135 folded +
assi (attr store1 < 1.577 and attr store1 > 1.477 )
     ((attr store1 < 1.703 and attr store1 > 1.643 ) and 
      (bondedto (attr store1 < 127.453109131  and attr store1 > 126.653109131 ) or 
       bondedto (attr store1 < 79.729  and attr store1 > 78.929 ) or 
       bondedto (attr store1 < 32.0048908686  and attr store1 > 31.2048908686 ))) 
6 0.1 0.1 peak 1135 volume 25.36777 ppm1 1.673 ppm2 1.527
 
! ############### c13noe.1136 folded +
assi (attr store1 < 0.96 and attr store1 > 0.86 )
     ((attr store1 < 1.702 and attr store1 > 1.642 ) and 
      (bondedto (attr store1 < 127.435109131  and attr store1 > 126.635109131 ) or 
       bondedto (attr store1 < 79.711  and attr store1 > 78.911 ) or 
       bondedto (attr store1 < 31.9868908686  and attr store1 > 31.1868908686 ))) 
6 0.1 0.1 peak 1136 volume 16.40517 ppm1 1.672 ppm2 0.910
 
! ############### c13noe.1137 folded +
assi (attr store1 < 7.674 and attr store1 > 7.574 )
     ((attr store1 < 1.686 and attr store1 > 1.626 ) and 
      (bondedto (attr store1 < 127.478109131  and attr store1 > 126.678109131 ) or 
       bondedto (attr store1 < 79.754  and attr store1 > 78.954 ) or 
       bondedto (attr store1 < 32.0298908686  and attr store1 > 31.2298908686 ))) 
6 0.1 0.1 peak 1137 volume 9.69473 ppm1 1.656 ppm2 7.624
 
! ############### c13noe.1138 folded -
assi (attr store1 < 8.365 and attr store1 > 8.265 )
     ((attr store1 < 4.364 and attr store1 > 4.304 ) and 
      (bondedto (attr store1 < 103.599054566  and attr store1 > 102.799054566 ) or 
       bondedto (attr store1 < 151.323163697  and attr store1 > 150.523163697) or 
       bondedto (attr store1 < 55.8749454343  and attr store1 > 55.0749454343 ))) 
6 0.1 0.1 peak 1138 volume 14.21714 ppm1 4.334 ppm2 8.315
 
! ############### c13noe.1139 folded -
assi (attr store1 < 8.085 and attr store1 > 7.985 )
     ((attr store1 < 4.365 and attr store1 > 4.305 ) and 
      (bondedto (attr store1 < 103.589054566  and attr store1 > 102.789054566 ) or 
       bondedto (attr store1 < 151.313163697  and attr store1 > 150.513163697) or 
       bondedto (attr store1 < 55.8649454343  and attr store1 > 55.0649454343 ))) 
6 0.1 0.1 peak 1139 volume 19.00901 ppm1 4.335 ppm2 8.035
 
! ############### c13noe.1140 folded -
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 4.365 and attr store1 > 4.305 ) and 
      (bondedto (attr store1 < 103.610054566  and attr store1 > 102.810054566 ) or 
       bondedto (attr store1 < 151.334163697  and attr store1 > 150.534163697) or 
       bondedto (attr store1 < 55.8859454343  and attr store1 > 55.0859454343 ))) 
6 0.1 0.1 peak 1140 volume 22.53778 ppm1 4.335 ppm2 4.688
 
! ############### c13noe.1141 folded -
assi (attr store1 < 2.968 and attr store1 > 2.868 )
     ((attr store1 < 4.367 and attr store1 > 4.307 ) and 
      (bondedto (attr store1 < 103.608054566  and attr store1 > 102.808054566 ) or 
       bondedto (attr store1 < 151.332163697  and attr store1 > 150.532163697) or 
       bondedto (attr store1 < 55.8839454343  and attr store1 > 55.0839454343 ))) 
6 0.1 0.1 peak 1141 volume 24.23467 ppm1 4.337 ppm2 2.918
 
! ############### c13noe.1142 folded -
assi (attr store1 < 2.713 and attr store1 > 2.613 )
     ((attr store1 < 4.364 and attr store1 > 4.304 ) and 
      (bondedto (attr store1 < 103.601054566  and attr store1 > 102.801054566 ) or 
       bondedto (attr store1 < 151.325163697  and attr store1 > 150.525163697) or 
       bondedto (attr store1 < 55.8769454343  and attr store1 > 55.0769454343 ))) 
6 0.1 0.1 peak 1142 volume 17.0393 ppm1 4.334 ppm2 2.663
 
! ############### c13noe.1143 folded -
assi (attr store1 < 2.607 and attr store1 > 2.507 )
     ((attr store1 < 4.365 and attr store1 > 4.305 ) and 
      (bondedto (attr store1 < 103.630054566  and attr store1 > 102.830054566 ) or 
       bondedto (attr store1 < 151.354163697  and attr store1 > 150.554163697) or 
       bondedto (attr store1 < 55.9059454343  and attr store1 > 55.1059454343 ))) 
6 0.1 0.1 peak 1143 volume 11.36431 ppm1 4.335 ppm2 2.557
 
! ############### c13noe.1144 folded -
assi (attr store1 < 1.723 and attr store1 > 1.623 )
     ((attr store1 < 4.365 and attr store1 > 4.305 ) and 
      (bondedto (attr store1 < 103.614054566  and attr store1 > 102.814054566 ) or 
       bondedto (attr store1 < 151.338163697  and attr store1 > 150.538163697) or 
       bondedto (attr store1 < 55.8899454343  and attr store1 > 55.0899454343 ))) 
6 0.1 0.1 peak 1144 volume 29.55812 ppm1 4.335 ppm2 1.673
 
! ############### c13noe.1145 folded -
assi (attr store1 < 1.464 and attr store1 > 1.364 )
     ((attr store1 < 4.367 and attr store1 > 4.307 ) and 
      (bondedto (attr store1 < 103.614054566  and attr store1 > 102.814054566 ) or 
       bondedto (attr store1 < 151.338163697  and attr store1 > 150.538163697) or 
       bondedto (attr store1 < 55.8899454343  and attr store1 > 55.0899454343 ))) 
6 0.1 0.1 peak 1145 volume 17.75507 ppm1 4.337 ppm2 1.414
 
! ############### c13noe.1146 folded -
assi (attr store1 < 1.167 and attr store1 > 1.067 )
     ((attr store1 < 4.363 and attr store1 > 4.303 ) and 
      (bondedto (attr store1 < 103.580054566  and attr store1 > 102.780054566 ) or 
       bondedto (attr store1 < 151.304163697  and attr store1 > 150.504163697) or 
       bondedto (attr store1 < 55.8559454343  and attr store1 > 55.0559454343 ))) 
6 0.1 0.1 peak 1146 volume 12.14146 ppm1 4.333 ppm2 1.117
 
! ############### c13noe.1147 folded -
assi (attr store1 < 7.552 and attr store1 > 7.452 )
     ((attr store1 < 3.873 and attr store1 > 3.813 ) and 
      (bondedto (attr store1 < 103.620054566  and attr store1 > 102.820054566 ) or 
       bondedto (attr store1 < 151.344163697  and attr store1 > 150.544163697) or 
       bondedto (attr store1 < 55.8959454343  and attr store1 > 55.0959454343 ))) 
6 0.1 0.1 peak 1147 volume 16.07595 ppm1 3.843 ppm2 7.502
 
! ############### c13noe.1148 folded -
assi (attr store1 < 1.578 and attr store1 > 1.478 )
     ((attr store1 < 3.872 and attr store1 > 3.812 ) and 
      (bondedto (attr store1 < 103.582054566  and attr store1 > 102.782054566 ) or 
       bondedto (attr store1 < 151.306163697  and attr store1 > 150.506163697) or 
       bondedto (attr store1 < 55.8579454343  and attr store1 > 55.0579454343 ))) 
6 0.1 0.1 peak 1148 volume 25.78471 ppm1 3.842 ppm2 1.528
 
! ############### c13noe.1149 folded -
assi (attr store1 < 1.452 and attr store1 > 1.352 )
     ((attr store1 < 3.872 and attr store1 > 3.812 ) and 
      (bondedto (attr store1 < 103.591054566  and attr store1 > 102.791054566 ) or 
       bondedto (attr store1 < 151.315163697  and attr store1 > 150.515163697) or 
       bondedto (attr store1 < 55.8669454343  and attr store1 > 55.0669454343 ))) 
6 0.1 0.1 peak 1149 volume 46.09398 ppm1 3.842 ppm2 1.402
 
! ############### c13noe.1150 folded -
assi (attr store1 < 1.027 and attr store1 > 0.927 )
     ((attr store1 < 3.87 and attr store1 > 3.81 ) and 
      (bondedto (attr store1 < 103.603054566  and attr store1 > 102.803054566 ) or 
       bondedto (attr store1 < 151.327163697  and attr store1 > 150.527163697) or 
       bondedto (attr store1 < 55.8789454343  and attr store1 > 55.0789454343 ))) 
6 0.1 0.1 peak 1150 volume 24.57162 ppm1 3.840 ppm2 0.977
 
! ############### c13noe.1151 folded -
assi (attr store1 < 0.934 and attr store1 > 0.834 )
     ((attr store1 < 3.872 and attr store1 > 3.812 ) and 
      (bondedto (attr store1 < 103.586054566  and attr store1 > 102.786054566 ) or 
       bondedto (attr store1 < 151.310163697  and attr store1 > 150.510163697) or 
       bondedto (attr store1 < 55.8619454343  and attr store1 > 55.0619454343 ))) 
6 0.1 0.1 peak 1151 volume 26.66997 ppm1 3.842 ppm2 0.884
 
! ############### c13noe.1152 folded -
assi (attr store1 < 3.717 and attr store1 > 3.617 )
     ((attr store1 < 3.869 and attr store1 > 3.809 ) and 
      (bondedto (attr store1 < 103.594054566  and attr store1 > 102.794054566 ) or 
       bondedto (attr store1 < 151.318163697  and attr store1 > 150.518163697) or 
       bondedto (attr store1 < 55.8699454343  and attr store1 > 55.0699454343 ))) 
6 0.1 0.1 peak 1152 volume 20.65037 ppm1 3.839 ppm2 3.667
 
! ############### c13noe.1153 folded -
assi (attr store1 < 3.883 and attr store1 > 3.783 )
     ((attr store1 < 3.701 and attr store1 > 3.641 ) and 
      (bondedto (attr store1 < 103.594054566  and attr store1 > 102.794054566 ) or 
       bondedto (attr store1 < 151.318163697  and attr store1 > 150.518163697) or 
       bondedto (attr store1 < 55.8699454343  and attr store1 > 55.0699454343 ))) 
6 0.1 0.1 peak 1153 volume 26.53232 ppm1 3.671 ppm2 3.833
 
! ############### c13noe.1154 folded -
assi (attr store1 < 1.507 and attr store1 > 1.407 )
     ((attr store1 < 1.218 and attr store1 > 1.158 ) and 
      (bondedto (attr store1 < 103.582054566  and attr store1 > 102.782054566 ) or 
       bondedto (attr store1 < 151.306163697  and attr store1 > 150.506163697) or 
       bondedto (attr store1 < 55.8579454343  and attr store1 > 55.0579454343 ))) 
6 0.1 0.1 peak 1154 volume 10.37252 ppm1 1.188 ppm2 1.457
 
! ############### c13noe.1155 folded +
assi (attr store1 < 3.64 and attr store1 > 3.54 )
     ((attr store1 < 2.443 and attr store1 > 2.383 ) and 
      (bondedto (attr store1 < 127.388109131  and attr store1 > 126.588109131 ) or 
       bondedto (attr store1 < 79.664  and attr store1 > 78.864 ) or 
       bondedto (attr store1 < 31.9398908686  and attr store1 > 31.1398908686 ))) 
6 0.1 0.1 peak 1155 volume 7.28366 ppm1 2.413 ppm2 3.590
 
! ############### c13noe.1156 folded +
assi (attr store1 < 1.066 and attr store1 > 0.966 )
     ((attr store1 < 2.284 and attr store1 > 2.224 ) and 
      (bondedto (attr store1 < 127.331109131  and attr store1 > 126.531109131 ) or 
       bondedto (attr store1 < 79.607  and attr store1 > 78.807 ) or 
       bondedto (attr store1 < 31.8828908686  and attr store1 > 31.0828908686 ))) 
6 0.1 0.1 peak 1156 volume 30.87217 ppm1 2.254 ppm2 1.016
 
! ############### c13noe.1157 folded +
assi (attr store1 < 3.846 and attr store1 > 3.746 )
     ((attr store1 < 2.25 and attr store1 > 2.19 ) and 
      (bondedto (attr store1 < 127.344109131  and attr store1 > 126.544109131 ) or 
       bondedto (attr store1 < 79.62  and attr store1 > 78.82 ) or 
       bondedto (attr store1 < 31.8958908686  and attr store1 > 31.0958908686 ))) 
6 0.1 0.1 peak 1157 volume 9.32193 ppm1 2.220 ppm2 3.796
 
! ############### c13noe.1158 folded +
assi (attr store1 < 8.499 and attr store1 > 8.399 )
     ((attr store1 < 2.242 and attr store1 > 2.182 ) and 
      (bondedto (attr store1 < 127.354109131  and attr store1 > 126.554109131 ) or 
       bondedto (attr store1 < 79.63  and attr store1 > 78.83 ) or 
       bondedto (attr store1 < 31.9058908686  and attr store1 > 31.1058908686 ))) 
6 0.1 0.1 peak 1158 volume 18.27152 ppm1 2.212 ppm2 8.449
 
! ############### c13noe.1159 folded +
assi (attr store1 < 8.422 and attr store1 > 8.322 )
     ((attr store1 < 2.213 and attr store1 > 2.153 ) and 
      (bondedto (attr store1 < 127.340109131  and attr store1 > 126.540109131 ) or 
       bondedto (attr store1 < 79.616  and attr store1 > 78.816 ) or 
       bondedto (attr store1 < 31.8918908686  and attr store1 > 31.0918908686 ))) 
6 0.1 0.1 peak 1159 volume 9.13260 ppm1 2.183 ppm2 8.372
 
! ############### c13noe.1160 folded +
assi (attr store1 < 1.687 and attr store1 > 1.587 )
     ((attr store1 < 1.356 and attr store1 > 1.296 ) and 
      (bondedto (attr store1 < 127.378109131  and attr store1 > 126.578109131 ) or 
       bondedto (attr store1 < 79.654  and attr store1 > 78.854 ) or 
       bondedto (attr store1 < 31.9298908686  and attr store1 > 31.1298908686 ))) 
6 0.1 0.1 peak 1160 volume 7.96312 ppm1 1.326 ppm2 1.637
 
! ############### c13noe.1161 folded +
assi (attr store1 < 0.927 and attr store1 > 0.827 )
     ((attr store1 < 1.224 and attr store1 > 1.164 ) and 
      (bondedto (attr store1 < 127.410109131  and attr store1 > 126.610109131 ) or 
       bondedto (attr store1 < 79.686  and attr store1 > 78.886 ) or 
       bondedto (attr store1 < 31.9618908686  and attr store1 > 31.1618908686 ))) 
6 0.1 0.1 peak 1161 volume 10.63297 ppm1 1.194 ppm2 0.877
 
! ############### c13noe.1162 folded -
assi (attr store1 < 8.027 and attr store1 > 7.927 )
     ((attr store1 < 4.042 and attr store1 > 3.982 ) and 
      (bondedto (attr store1 < 103.496054566  and attr store1 > 102.696054566 ) or 
       bondedto (attr store1 < 151.220163697  and attr store1 > 150.420163697) or 
       bondedto (attr store1 < 55.7719454343  and attr store1 > 54.9719454343 ))) 
6 0.1 0.1 peak 1162 volume 12.7681 ppm1 4.012 ppm2 7.977
 
! ############### c13noe.1163 folded -
assi (attr store1 < 7.954 and attr store1 > 7.854 )
     ((attr store1 < 4.038 and attr store1 > 3.978 ) and 
      (bondedto (attr store1 < 103.535054566  and attr store1 > 102.735054566 ) or 
       bondedto (attr store1 < 151.259163697  and attr store1 > 150.459163697) or 
       bondedto (attr store1 < 55.8109454343  and attr store1 > 55.0109454343 ))) 
6 0.1 0.1 peak 1163 volume 17.73606 ppm1 4.008 ppm2 7.904
 
! ############### c13noe.1164 folded -
assi (attr store1 < 2.101 and attr store1 > 2.001 )
     ((attr store1 < 4.038 and attr store1 > 3.978 ) and 
      (bondedto (attr store1 < 103.482054566  and attr store1 > 102.682054566 ) or 
       bondedto (attr store1 < 151.206163697  and attr store1 > 150.406163697) or 
       bondedto (attr store1 < 55.7579454343  and attr store1 > 54.9579454343 ))) 
6 0.1 0.1 peak 1164 volume 19.59832 ppm1 4.008 ppm2 2.051
 
! ############### c13noe.1165 folded -
assi (attr store1 < 0.926 and attr store1 > 0.826 )
     ((attr store1 < 4.037 and attr store1 > 3.977 ) and 
      (bondedto (attr store1 < 103.526054566  and attr store1 > 102.726054566 ) or 
       bondedto (attr store1 < 151.250163697  and attr store1 > 150.450163697) or 
       bondedto (attr store1 < 55.8019454343  and attr store1 > 55.0019454343 ))) 
6 0.1 0.1 peak 1165 volume 26.43303 ppm1 4.007 ppm2 0.876
 
! ############### c13noe.1166 folded -
assi (attr store1 < 1.537 and attr store1 > 1.437 )
     ((attr store1 < 4.034 and attr store1 > 3.974 ) and 
      (bondedto (attr store1 < 103.507054566  and attr store1 > 102.707054566 ) or 
       bondedto (attr store1 < 151.231163697  and attr store1 > 150.431163697) or 
       bondedto (attr store1 < 55.7829454343  and attr store1 > 54.9829454343 ))) 
6 0.1 0.1 peak 1166 volume 65.3218 ppm1 4.004 ppm2 1.487
 
! ############### c13noe.1167 folded -
assi (attr store1 < 0.927 and attr store1 > 0.827 )
     ((attr store1 < 1.196 and attr store1 > 1.136 ) and 
      (bondedto (attr store1 < 103.516054566  and attr store1 > 102.716054566 ) or 
       bondedto (attr store1 < 151.240163697  and attr store1 > 150.440163697) or 
       bondedto (attr store1 < 55.7919454343  and attr store1 > 54.9919454343 ))) 
6 0.1 0.1 peak 1167 volume 8.28901 ppm1 1.166 ppm2 0.877
 
! ############### c13noe.1168 folded -
assi (attr store1 < 0.731 and attr store1 > 0.631 )
     ((attr store1 < 0.906 and attr store1 > 0.846 ) and 
      (bondedto (attr store1 < 103.478054566  and attr store1 > 102.678054566 ) or 
       bondedto (attr store1 < 151.202163697  and attr store1 > 150.402163697) or 
       bondedto (attr store1 < 55.7539454343  and attr store1 > 54.9539454343 ))) 
6 0.1 0.1 peak 1168 volume 10.80095 ppm1 0.876 ppm2 0.681
 
! ############### c13noe.1169 folded +
assi (attr store1 < 0.938 and attr store1 > 0.838 )
     ((attr store1 < 2.286 and attr store1 > 2.226 ) and 
      (bondedto (attr store1 < 127.306109131  and attr store1 > 126.506109131 ) or 
       bondedto (attr store1 < 79.582  and attr store1 > 78.782 ) or 
       bondedto (attr store1 < 31.8578908686  and attr store1 > 31.0578908686 ))) 
6 0.1 0.1 peak 1169 volume 35.28929 ppm1 2.256 ppm2 0.888
 
! ############### c13noe.1170 folded +
assi (attr store1 < 8.267 and attr store1 > 8.167 )
     ((attr store1 < 2.277 and attr store1 > 2.217 ) and 
      (bondedto (attr store1 < 127.306109131  and attr store1 > 126.506109131 ) or 
       bondedto (attr store1 < 79.582  and attr store1 > 78.782 ) or 
       bondedto (attr store1 < 31.8578908686  and attr store1 > 31.0578908686 ))) 
6 0.1 0.1 peak 1170 volume 13.19027 ppm1 2.247 ppm2 8.217
 
! ############### c13noe.1171 folded +
assi (attr store1 < 1.076 and attr store1 > 0.976 )
     ((attr store1 < 2.262 and attr store1 > 2.202 ) and 
      (bondedto (attr store1 < 127.301109131  and attr store1 > 126.501109131 ) or 
       bondedto (attr store1 < 79.577  and attr store1 > 78.777 ) or 
       bondedto (attr store1 < 31.8528908686  and attr store1 > 31.0528908686 ))) 
6 0.1 0.1 peak 1171 volume 30.05384 ppm1 2.232 ppm2 1.026
 
! ############### c13noe.1172 folded +
assi (attr store1 < 1.081 and attr store1 > 0.981 )
     ((attr store1 < 2.253 and attr store1 > 2.193 ) and 
      (bondedto (attr store1 < 127.312109131  and attr store1 > 126.512109131 ) or 
       bondedto (attr store1 < 79.588  and attr store1 > 78.788 ) or 
       bondedto (attr store1 < 31.8638908686  and attr store1 > 31.0638908686 ))) 
6 0.1 0.1 peak 1172 volume 29.64560 ppm1 2.223 ppm2 1.031
 
! ############### c13noe.1173 folded +
assi (attr store1 < 0.885 and attr store1 > 0.785 )
     ((attr store1 < 2.247 and attr store1 > 2.187 ) and 
      (bondedto (attr store1 < 127.303109131  and attr store1 > 126.503109131 ) or 
       bondedto (attr store1 < 79.579  and attr store1 > 78.779 ) or 
       bondedto (attr store1 < 31.8548908686  and attr store1 > 31.0548908686 ))) 
6 0.1 0.1 peak 1173 volume 32.66055 ppm1 2.217 ppm2 0.835
 
! ############### c13noe.1174 folded +
assi (attr store1 < 8.986 and attr store1 > 8.886 )
     ((attr store1 < 2.215 and attr store1 > 2.155 ) and 
      (bondedto (attr store1 < 127.318109131  and attr store1 > 126.518109131 ) or 
       bondedto (attr store1 < 79.594  and attr store1 > 78.794 ) or 
       bondedto (attr store1 < 31.8698908686  and attr store1 > 31.0698908686 ))) 
6 0.1 0.1 peak 1174 volume 10.29013 ppm1 2.185 ppm2 8.936
 
! ############### c13noe.1175 folded -
assi (attr store1 < 1.443 and attr store1 > 1.343 )
     ((attr store1 < 4.022 and attr store1 > 3.962 ) and 
      (bondedto (attr store1 < 103.433054566  and attr store1 > 102.633054566 ) or 
       bondedto (attr store1 < 151.157163697  and attr store1 > 150.357163697) or 
       bondedto (attr store1 < 55.7089454343  and attr store1 > 54.9089454343 ))) 
6 0.1 0.1 peak 1175 volume 6.32077 ppm1 3.992 ppm2 1.393
 
! ############### c13noe.1176 folded +
assi (attr store1 < 3.913 and attr store1 > 3.813 )
     ((attr store1 < 3.806 and attr store1 > 3.746 ) and 
      (bondedto (attr store1 < 127.146109131  and attr store1 > 126.346109131 ) or 
       bondedto (attr store1 < 79.422  and attr store1 > 78.622 ) or 
       bondedto (attr store1 < 31.6978908686  and attr store1 > 30.8978908686 ))) 
6 0.1 0.1 peak 1176 volume 21.11056 ppm1 3.776 ppm2 3.863
 
! ############### c13noe.1177 folded -
assi (attr store1 < 8.438 and attr store1 > 8.338 )
     ((attr store1 < 4.322 and attr store1 > 4.262 ) and 
      (bondedto (attr store1 < 103.342054566  and attr store1 > 102.542054566 ) or 
       bondedto (attr store1 < 151.066163697  and attr store1 > 150.266163697) or 
       bondedto (attr store1 < 55.6179454343  and attr store1 > 54.8179454343 ))) 
6 0.1 0.1 peak 1177 volume 9.69852 ppm1 4.292 ppm2 8.388
 
! ############### c13noe.1178 folded -
assi (attr store1 < 8.425 and attr store1 > 8.325 )
     ((attr store1 < 4.321 and attr store1 > 4.261 ) and 
      (bondedto (attr store1 < 103.343054566  and attr store1 > 102.543054566 ) or 
       bondedto (attr store1 < 151.067163697  and attr store1 > 150.267163697) or 
       bondedto (attr store1 < 55.6189454343  and attr store1 > 54.8189454343 ))) 
6 0.1 0.1 peak 1178 volume 9.60696 ppm1 4.291 ppm2 8.375
 
! ############### c13noe.1179 folded -
assi (attr store1 < 7.976 and attr store1 > 7.876 )
     ((attr store1 < 4.323 and attr store1 > 4.263 ) and 
      (bondedto (attr store1 < 103.332054566  and attr store1 > 102.532054566 ) or 
       bondedto (attr store1 < 151.056163697  and attr store1 > 150.256163697) or 
       bondedto (attr store1 < 55.6079454343  and attr store1 > 54.8079454343 ))) 
6 0.1 0.1 peak 1179 volume 21.39249 ppm1 4.293 ppm2 7.926
 
! ############### c13noe.1180 folded -
assi (attr store1 < 2.193 and attr store1 > 2.093 )
     ((attr store1 < 4.32 and attr store1 > 4.26 ) and 
      (bondedto (attr store1 < 103.333054566  and attr store1 > 102.533054566 ) or 
       bondedto (attr store1 < 151.057163697  and attr store1 > 150.257163697) or 
       bondedto (attr store1 < 55.6089454343  and attr store1 > 54.8089454343 ))) 
6 0.1 0.1 peak 1180 volume 18.749 ppm1 4.290 ppm2 2.143
 
! ############### c13noe.1181 folded -
assi (attr store1 < 2.106 and attr store1 > 2.006 )
     ((attr store1 < 4.318 and attr store1 > 4.258 ) and 
      (bondedto (attr store1 < 103.326054566  and attr store1 > 102.526054566 ) or 
       bondedto (attr store1 < 151.050163697  and attr store1 > 150.250163697) or 
       bondedto (attr store1 < 55.6019454343  and attr store1 > 54.8019454343 ))) 
6 0.1 0.1 peak 1181 volume 20.35322 ppm1 4.288 ppm2 2.056
 
! ############### c13noe.1182 folded -
assi (attr store1 < 1.603 and attr store1 > 1.503 )
     ((attr store1 < 4.318 and attr store1 > 4.258 ) and 
      (bondedto (attr store1 < 103.314054566  and attr store1 > 102.514054566 ) or 
       bondedto (attr store1 < 151.038163697  and attr store1 > 150.238163697) or 
       bondedto (attr store1 < 55.5899454343  and attr store1 > 54.7899454343 ))) 
6 0.1 0.1 peak 1182 volume 84.12022 ppm1 4.288 ppm2 1.553
 
! ############### c13noe.1183 folded -
assi (attr store1 < 2.376 and attr store1 > 2.276 )
     ((attr store1 < 4.312 and attr store1 > 4.252 ) and 
      (bondedto (attr store1 < 103.351054566  and attr store1 > 102.551054566 ) or 
       bondedto (attr store1 < 151.075163697  and attr store1 > 150.275163697) or 
       bondedto (attr store1 < 55.6269454343  and attr store1 > 54.8269454343 ))) 
6 0.1 0.1 peak 1183 volume 12.00297 ppm1 4.282 ppm2 2.326
 
! ############### c13noe.1184 folded -
assi (attr store1 < 3.213 and attr store1 > 3.113 )
     ((attr store1 < 3.274 and attr store1 > 3.214 ) and 
      (bondedto (attr store1 < 103.287054566  and attr store1 > 102.487054566 ) or 
       bondedto (attr store1 < 151.011163697  and attr store1 > 150.211163697) or 
       bondedto (attr store1 < 55.5629454343  and attr store1 > 54.7629454343 ))) 
6 0.1 0.1 peak 1184 volume 45.87102 ppm1 3.244 ppm2 3.163
 
! ############### c13noe.1185 folded -
assi (attr store1 < 4.735 and attr store1 > 4.635 )
     ((attr store1 < 2.596 and attr store1 > 2.536 ) and 
      (bondedto (attr store1 < 103.288054566  and attr store1 > 102.488054566 ) or 
       bondedto (attr store1 < 151.012163697  and attr store1 > 150.212163697) or 
       bondedto (attr store1 < 55.5639454343  and attr store1 > 54.7639454343 ))) 
6 0.1 0.1 peak 1185 volume 19.65033 ppm1 2.566 ppm2 4.685
 
! ############### c13noe.1186 folded +
assi (attr store1 < 3.895 and attr store1 > 3.795 )
     ((attr store1 < 3.94 and attr store1 > 3.88 ) and 
      (bondedto (attr store1 < 127.060109131  and attr store1 > 126.260109131 ) or 
       bondedto (attr store1 < 79.336  and attr store1 > 78.536 ) or 
       bondedto (attr store1 < 31.6118908686  and attr store1 > 30.8118908686 ))) 
6 0.1 0.1 peak 1186 volume 29.49460 ppm1 3.910 ppm2 3.845
 
! ############### c13noe.1187 folded +
assi (attr store1 < 2.686 and attr store1 > 2.586 )
     ((attr store1 < 2.224 and attr store1 > 2.164 ) and 
      (bondedto (attr store1 < 127.117109131  and attr store1 > 126.317109131 ) or 
       bondedto (attr store1 < 79.393  and attr store1 > 78.593 ) or 
       bondedto (attr store1 < 31.6688908686  and attr store1 > 30.8688908686 ))) 
6 0.1 0.1 peak 1187 volume 17.34664 ppm1 2.194 ppm2 2.636
 
! ############### c13noe.1188 folded +
assi (attr store1 < 0.999 and attr store1 > 0.899 )
     ((attr store1 < 1.874 and attr store1 > 1.814 ) and 
      (bondedto (attr store1 < 127.076109131  and attr store1 > 126.276109131 ) or 
       bondedto (attr store1 < 79.352  and attr store1 > 78.552 ) or 
       bondedto (attr store1 < 31.6278908686  and attr store1 > 30.8278908686 ))) 
6 0.1 0.1 peak 1188 volume 29.11156 ppm1 1.844 ppm2 0.949
 
! ############### c13noe.1189 folded +
assi (attr store1 < 0.934 and attr store1 > 0.834 )
     ((attr store1 < 1.874 and attr store1 > 1.814 ) and 
      (bondedto (attr store1 < 127.078109131  and attr store1 > 126.278109131 ) or 
       bondedto (attr store1 < 79.354  and attr store1 > 78.554 ) or 
       bondedto (attr store1 < 31.6298908686  and attr store1 > 30.8298908686 ))) 
6 0.1 0.1 peak 1189 volume 19.72951 ppm1 1.844 ppm2 0.884
 
! ############### c13noe.1190 folded +
assi (attr store1 < 1.893 and attr store1 > 1.793 )
     ((attr store1 < 0.841 and attr store1 > 0.781 ) and 
      (bondedto (attr store1 < 127.092109131  and attr store1 > 126.292109131 ) or 
       bondedto (attr store1 < 79.368  and attr store1 > 78.568 ) or 
       bondedto (attr store1 < 31.6438908686  and attr store1 > 30.8438908686 ))) 
6 0.1 0.1 peak 1190 volume 10.00120 ppm1 0.811 ppm2 1.843
 
! ############### c13noe.1191 folded -
assi (attr store1 < 1.616 and attr store1 > 1.516 )
     ((attr store1 < 4.374 and attr store1 > 4.314 ) and 
      (bondedto (attr store1 < 103.181054566  and attr store1 > 102.381054566 ) or 
       bondedto (attr store1 < 150.905163697  and attr store1 > 150.105163697) or 
       bondedto (attr store1 < 55.4569454343  and attr store1 > 54.6569454343 ))) 
6 0.1 0.1 peak 1191 volume 67.06762 ppm1 4.344 ppm2 1.566
 
! ############### c13noe.1192 folded -
assi (attr store1 < 0.982 and attr store1 > 0.882 )
     ((attr store1 < 4.26 and attr store1 > 4.2 ) and 
      (bondedto (attr store1 < 103.180054566  and attr store1 > 102.380054566 ) or 
       bondedto (attr store1 < 150.904163697  and attr store1 > 150.104163697) or 
       bondedto (attr store1 < 55.4559454343  and attr store1 > 54.6559454343 ))) 
6 0.1 0.1 peak 1192 volume 21.78247 ppm1 4.230 ppm2 0.932
 
! ############### c13noe.1193 folded -
assi (attr store1 < 3.305 and attr store1 > 3.205 )
     ((attr store1 < 3.176 and attr store1 > 3.116 ) and 
      (bondedto (attr store1 < 103.218054566  and attr store1 > 102.418054566 ) or 
       bondedto (attr store1 < 150.942163697  and attr store1 > 150.142163697) or 
       bondedto (attr store1 < 55.4939454343  and attr store1 > 54.6939454343 ))) 
6 0.1 0.1 peak 1193 volume 55.44548 ppm1 3.146 ppm2 3.255
 
! ############### c13noe.1194 folded -
assi (attr store1 < 1.406 and attr store1 > 1.306 )
     ((attr store1 < 2.598 and attr store1 > 2.538 ) and 
      (bondedto (attr store1 < 103.269054566  and attr store1 > 102.469054566 ) or 
       bondedto (attr store1 < 150.993163697  and attr store1 > 150.193163697) or 
       bondedto (attr store1 < 55.5449454343  and attr store1 > 54.7449454343 ))) 
6 0.1 0.1 peak 1194 volume 51.28975 ppm1 2.568 ppm2 1.356
 
! ############### c13noe.1195 folded +
assi (attr store1 < 3.887 and attr store1 > 3.787 )
     ((attr store1 < 3.697 and attr store1 > 3.637 ) and 
      (bondedto (attr store1 < 126.998109131  and attr store1 > 126.198109131 ) or 
       bondedto (attr store1 < 79.274  and attr store1 > 78.474 ) or 
       bondedto (attr store1 < 31.5498908686  and attr store1 > 30.7498908686 ))) 
6 0.1 0.1 peak 1195 volume 12.66740 ppm1 3.667 ppm2 3.837
 
! ############### c13noe.1196 folded +
assi (attr store1 < 2.83 and attr store1 > 2.73 )
     ((attr store1 < 2.455 and attr store1 > 2.395 ) and 
      (bondedto (attr store1 < 126.976109131  and attr store1 > 126.176109131 ) or 
       bondedto (attr store1 < 79.252  and attr store1 > 78.452 ) or 
       bondedto (attr store1 < 31.5278908686  and attr store1 > 30.7278908686 ))) 
6 0.1 0.1 peak 1196 volume 14.77606 ppm1 2.425 ppm2 2.780
 
! ############### c13noe.1197 folded +
assi (attr store1 < 2.728 and attr store1 > 2.628 )
     ((attr store1 < 2.454 and attr store1 > 2.394 ) and 
      (bondedto (attr store1 < 126.948109131  and attr store1 > 126.148109131 ) or 
       bondedto (attr store1 < 79.224  and attr store1 > 78.424 ) or 
       bondedto (attr store1 < 31.4998908686  and attr store1 > 30.6998908686 ))) 
6 0.1 0.1 peak 1197 volume 15.32084 ppm1 2.424 ppm2 2.678
 
! ############### c13noe.1198 folded +
assi (attr store1 < 4.309 and attr store1 > 4.209 )
     ((attr store1 < 2.42 and attr store1 > 2.36 ) and 
      (bondedto (attr store1 < 126.990109131  and attr store1 > 126.190109131 ) or 
       bondedto (attr store1 < 79.266  and attr store1 > 78.466 ) or 
       bondedto (attr store1 < 31.5418908686  and attr store1 > 30.7418908686 ))) 
6 0.1 0.1 peak 1198 volume 28.35674 ppm1 2.390 ppm2 4.259
 
! ############### c13noe.1199 folded +
assi (attr store1 < 3.725 and attr store1 > 3.625 )
     ((attr store1 < 2.422 and attr store1 > 2.362 ) and 
      (bondedto (attr store1 < 126.963109131  and attr store1 > 126.163109131 ) or 
       bondedto (attr store1 < 79.239  and attr store1 > 78.439 ) or 
       bondedto (attr store1 < 31.5148908686  and attr store1 > 30.7148908686 ))) 
6 0.1 0.1 peak 1199 volume 8.43575 ppm1 2.392 ppm2 3.675
 
! ############### c13noe.1200 folded +
assi (attr store1 < 3.643 and attr store1 > 3.543 )
     ((attr store1 < 2.422 and attr store1 > 2.362 ) and 
      (bondedto (attr store1 < 127.036109131  and attr store1 > 126.236109131 ) or 
       bondedto (attr store1 < 79.312  and attr store1 > 78.512 ) or 
       bondedto (attr store1 < 31.5878908686  and attr store1 > 30.7878908686 ))) 
6 0.1 0.1 peak 1200 volume 7.70837 ppm1 2.392 ppm2 3.593
 
! ############### c13noe.1201 folded +
assi (attr store1 < 2.016 and attr store1 > 1.916 )
     ((attr store1 < 2.419 and attr store1 > 2.359 ) and 
      (bondedto (attr store1 < 126.979109131  and attr store1 > 126.179109131 ) or 
       bondedto (attr store1 < 79.255  and attr store1 > 78.455 ) or 
       bondedto (attr store1 < 31.5308908686  and attr store1 > 30.7308908686 ))) 
6 0.1 0.1 peak 1201 volume 73.19349 ppm1 2.389 ppm2 1.966
 
! ############### c13noe.1202 folded +
assi (attr store1 < 3.772 and attr store1 > 3.672 )
     ((attr store1 < 2.409 and attr store1 > 2.349 ) and 
      (bondedto (attr store1 < 126.959109131  and attr store1 > 126.159109131 ) or 
       bondedto (attr store1 < 79.235  and attr store1 > 78.435 ) or 
       bondedto (attr store1 < 31.5108908686  and attr store1 > 30.7108908686 ))) 
6 0.1 0.1 peak 1202 volume 7.35636 ppm1 2.379 ppm2 3.722
 
! ############### c13noe.1203 folded +
assi (attr store1 < 4.539 and attr store1 > 4.439 )
     ((attr store1 < 2.35 and attr store1 > 2.29 ) and 
      (bondedto (attr store1 < 126.978109131  and attr store1 > 126.178109131 ) or 
       bondedto (attr store1 < 79.254  and attr store1 > 78.454 ) or 
       bondedto (attr store1 < 31.5298908686  and attr store1 > 30.7298908686 ))) 
6 0.1 0.1 peak 1203 volume 13.94288 ppm1 2.320 ppm2 4.489
 
! ############### c13noe.1204 folded +
assi (attr store1 < 2.83 and attr store1 > 2.73 )
     ((attr store1 < 2.349 and attr store1 > 2.289 ) and 
      (bondedto (attr store1 < 126.967109131  and attr store1 > 126.167109131 ) or 
       bondedto (attr store1 < 79.243  and attr store1 > 78.443 ) or 
       bondedto (attr store1 < 31.5188908686  and attr store1 > 30.7188908686 ))) 
6 0.1 0.1 peak 1204 volume 16.42263 ppm1 2.319 ppm2 2.780
 
! ############### c13noe.1205 folded +
assi (attr store1 < 3.519 and attr store1 > 3.419 )
     ((attr store1 < 2.343 and attr store1 > 2.283 ) and 
      (bondedto (attr store1 < 127.032109131  and attr store1 > 126.232109131 ) or 
       bondedto (attr store1 < 79.308  and attr store1 > 78.508 ) or 
       bondedto (attr store1 < 31.5838908686  and attr store1 > 30.7838908686 ))) 
6 0.1 0.1 peak 1205 volume 7.84453 ppm1 2.313 ppm2 3.469
 
! ############### c13noe.1206 folded +
assi (attr store1 < 8.045 and attr store1 > 7.945 )
     ((attr store1 < 2.338 and attr store1 > 2.278 ) and 
      (bondedto (attr store1 < 127.010109131  and attr store1 > 126.210109131 ) or 
       bondedto (attr store1 < 79.286  and attr store1 > 78.486 ) or 
       bondedto (attr store1 < 31.5618908686  and attr store1 > 30.7618908686 ))) 
6 0.1 0.1 peak 1206 volume 15.44520 ppm1 2.308 ppm2 7.995
 
! ############### c13noe.1207 folded +
assi (attr store1 < 7.898 and attr store1 > 7.798 )
     ((attr store1 < 2.338 and attr store1 > 2.278 ) and 
      (bondedto (attr store1 < 127.012109131  and attr store1 > 126.212109131 ) or 
       bondedto (attr store1 < 79.288  and attr store1 > 78.488 ) or 
       bondedto (attr store1 < 31.5638908686  and attr store1 > 30.7638908686 ))) 
6 0.1 0.1 peak 1207 volume 10.48334 ppm1 2.308 ppm2 7.848
 
! ############### c13noe.1208 folded +
assi (attr store1 < 1.164 and attr store1 > 1.064 )
     ((attr store1 < 2.34 and attr store1 > 2.28 ) and 
      (bondedto (attr store1 < 126.989109131  and attr store1 > 126.189109131 ) or 
       bondedto (attr store1 < 79.265  and attr store1 > 78.465 ) or 
       bondedto (attr store1 < 31.5408908686  and attr store1 > 30.7408908686 ))) 
6 0.1 0.1 peak 1208 volume 9.86320 ppm1 2.310 ppm2 1.114
 
! ############### c13noe.1209 folded +
assi (attr store1 < 0.893 and attr store1 > 0.793 )
     ((attr store1 < 2.337 and attr store1 > 2.277 ) and 
      (bondedto (attr store1 < 127.023109131  and attr store1 > 126.223109131 ) or 
       bondedto (attr store1 < 79.299  and attr store1 > 78.499 ) or 
       bondedto (attr store1 < 31.5748908686  and attr store1 > 30.7748908686 ))) 
6 0.1 0.1 peak 1209 volume 29.07913 ppm1 2.307 ppm2 0.843
 
! ############### c13noe.1210 folded +
assi (attr store1 < 1.007 and attr store1 > 0.907 )
     ((attr store1 < 2.331 and attr store1 > 2.271 ) and 
      (bondedto (attr store1 < 127.035109131  and attr store1 > 126.235109131 ) or 
       bondedto (attr store1 < 79.311  and attr store1 > 78.511 ) or 
       bondedto (attr store1 < 31.5868908686  and attr store1 > 30.7868908686 ))) 
6 0.1 0.1 peak 1210 volume 32.10092 ppm1 2.301 ppm2 0.957
 
! ############### c13noe.1211 folded +
assi (attr store1 < 1.035 and attr store1 > 0.935 )
     ((attr store1 < 2.128 and attr store1 > 2.068 ) and 
      (bondedto (attr store1 < 126.998109131  and attr store1 > 126.198109131 ) or 
       bondedto (attr store1 < 79.274  and attr store1 > 78.474 ) or 
       bondedto (attr store1 < 31.5498908686  and attr store1 > 30.7498908686 ))) 
6 0.1 0.1 peak 1211 volume 22.03811 ppm1 2.098 ppm2 0.985
 
! ############### c13noe.1212 folded +
assi (attr store1 < 8.485 and attr store1 > 8.385 )
     ((attr store1 < 2.12 and attr store1 > 2.06 ) and 
      (bondedto (attr store1 < 126.978109131  and attr store1 > 126.178109131 ) or 
       bondedto (attr store1 < 79.254  and attr store1 > 78.454 ) or 
       bondedto (attr store1 < 31.5298908686  and attr store1 > 30.7298908686 ))) 
6 0.1 0.1 peak 1212 volume 11.08151 ppm1 2.090 ppm2 8.435
 
! ############### c13noe.1213 folded +
assi (attr store1 < 0.931 and attr store1 > 0.831 )
     ((attr store1 < 2.121 and attr store1 > 2.061 ) and 
      (bondedto (attr store1 < 126.992109131  and attr store1 > 126.192109131 ) or 
       bondedto (attr store1 < 79.268  and attr store1 > 78.468 ) or 
       bondedto (attr store1 < 31.5438908686  and attr store1 > 30.7438908686 ))) 
6 0.1 0.1 peak 1213 volume 27.21683 ppm1 2.091 ppm2 0.881
 
! ############### c13noe.1214 folded +
assi (attr store1 < 3.616 and attr store1 > 3.516 )
     ((attr store1 < 2.11 and attr store1 > 2.05 ) and 
      (bondedto (attr store1 < 126.977109131  and attr store1 > 126.177109131 ) or 
       bondedto (attr store1 < 79.253  and attr store1 > 78.453 ) or 
       bondedto (attr store1 < 31.5288908686  and attr store1 > 30.7288908686 ))) 
6 0.1 0.1 peak 1214 volume 6.75956 ppm1 2.080 ppm2 3.566
 
! ############### c13noe.1215 folded +
assi (attr store1 < 3.725 and attr store1 > 3.625 )
     ((attr store1 < 1.994 and attr store1 > 1.934 ) and 
      (bondedto (attr store1 < 126.986109131  and attr store1 > 126.186109131 ) or 
       bondedto (attr store1 < 79.262  and attr store1 > 78.462 ) or 
       bondedto (attr store1 < 31.5378908686  and attr store1 > 30.7378908686 ))) 
6 0.1 0.1 peak 1215 volume 7.70268 ppm1 1.964 ppm2 3.675
 
! ############### c13noe.1216 folded +
assi (attr store1 < 3.642 and attr store1 > 3.542 )
     ((attr store1 < 1.996 and attr store1 > 1.936 ) and 
      (bondedto (attr store1 < 127.010109131  and attr store1 > 126.210109131 ) or 
       bondedto (attr store1 < 79.286  and attr store1 > 78.486 ) or 
       bondedto (attr store1 < 31.5618908686  and attr store1 > 30.7618908686 ))) 
6 0.1 0.1 peak 1216 volume 6.69520 ppm1 1.966 ppm2 3.592
 
! ############### c13noe.1217 folded +
assi (attr store1 < 2.441 and attr store1 > 2.341 )
     ((attr store1 < 1.994 and attr store1 > 1.934 ) and 
      (bondedto (attr store1 < 126.982109131  and attr store1 > 126.182109131 ) or 
       bondedto (attr store1 < 79.258  and attr store1 > 78.458 ) or 
       bondedto (attr store1 < 31.5338908686  and attr store1 > 30.7338908686 ))) 
6 0.1 0.1 peak 1217 volume 71.24638 ppm1 1.964 ppm2 2.391
 
! ############### c13noe.1218 folded +
assi (attr store1 < 4.313 and attr store1 > 4.213 )
     ((attr store1 < 1.989 and attr store1 > 1.929 ) and 
      (bondedto (attr store1 < 126.978109131  and attr store1 > 126.178109131 ) or 
       bondedto (attr store1 < 79.254  and attr store1 > 78.454 ) or 
       bondedto (attr store1 < 31.5298908686  and attr store1 > 30.7298908686 ))) 
6 0.1 0.1 peak 1218 volume 21.76339 ppm1 1.959 ppm2 4.263
 
! ############### c13noe.1219 folded +
assi (attr store1 < 0.971 and attr store1 > 0.871 )
     ((attr store1 < 1.922 and attr store1 > 1.862 ) and 
      (bondedto (attr store1 < 126.957109131  and attr store1 > 126.157109131 ) or 
       bondedto (attr store1 < 79.233  and attr store1 > 78.433 ) or 
       bondedto (attr store1 < 31.5088908686  and attr store1 > 30.7088908686 ))) 
6 0.1 0.1 peak 1219 volume 25.56971 ppm1 1.892 ppm2 0.921
 
! ############### c13noe.1220 folded +
assi (attr store1 < 1.504 and attr store1 > 1.404 )
     ((attr store1 < 1.226 and attr store1 > 1.166 ) and 
      (bondedto (attr store1 < 126.969109131  and attr store1 > 126.169109131 ) or 
       bondedto (attr store1 < 79.245  and attr store1 > 78.445 ) or 
       bondedto (attr store1 < 31.5208908686  and attr store1 > 30.7208908686 ))) 
6 0.1 0.1 peak 1220 volume 15.90390 ppm1 1.196 ppm2 1.454
 
! ############### c13noe.1221 folded +
assi (attr store1 < 1.044 and attr store1 > 0.944 )
     ((attr store1 < 0.931 and attr store1 > 0.871 ) and 
      (bondedto (attr store1 < 126.961109131  and attr store1 > 126.161109131 ) or 
       bondedto (attr store1 < 79.237  and attr store1 > 78.437 ) or 
       bondedto (attr store1 < 31.5128908686  and attr store1 > 30.7128908686 ))) 
6 0.1 0.1 peak 1221 volume 38.19510 ppm1 0.901 ppm2 0.994
 
! ############### c13noe.1222 folded -
assi (attr store1 < 1.368 and attr store1 > 1.268 )
     ((attr store1 < 4.39 and attr store1 > 4.33 ) and 
      (bondedto (attr store1 < 103.161054566  and attr store1 > 102.361054566 ) or 
       bondedto (attr store1 < 150.885163697  and attr store1 > 150.085163697) or 
       bondedto (attr store1 < 55.4369454343  and attr store1 > 54.6369454343 ))) 
6 0.1 0.1 peak 1222 volume 10.31878 ppm1 4.360 ppm2 1.318
 
! ############### c13noe.1223 folded -
assi (attr store1 < 7.963 and attr store1 > 7.863 )
     ((attr store1 < 4.385 and attr store1 > 4.325 ) and 
      (bondedto (attr store1 < 103.139054566  and attr store1 > 102.339054566 ) or 
       bondedto (attr store1 < 150.863163697  and attr store1 > 150.063163697) or 
       bondedto (attr store1 < 55.4149454343  and attr store1 > 54.6149454343 ))) 
6 0.1 0.1 peak 1223 volume 26.12428 ppm1 4.355 ppm2 7.913
 
! ############### c13noe.1224 folded -
assi (attr store1 < 1.615 and attr store1 > 1.515 )
     ((attr store1 < 4.383 and attr store1 > 4.323 ) and 
      (bondedto (attr store1 < 103.140054566  and attr store1 > 102.340054566 ) or 
       bondedto (attr store1 < 150.864163697  and attr store1 > 150.064163697) or 
       bondedto (attr store1 < 55.4159454343  and attr store1 > 54.6159454343 ))) 
6 0.1 0.1 peak 1224 volume 74.72131 ppm1 4.353 ppm2 1.565
 
! ############### c13noe.1225 folded -
assi (attr store1 < 1.54 and attr store1 > 1.44 )
     ((attr store1 < 4.383 and attr store1 > 4.323 ) and 
      (bondedto (attr store1 < 103.137054566  and attr store1 > 102.337054566 ) or 
       bondedto (attr store1 < 150.861163697  and attr store1 > 150.061163697) or 
       bondedto (attr store1 < 55.4129454343  and attr store1 > 54.6129454343 ))) 
6 0.1 0.1 peak 1225 volume 47.33486 ppm1 4.353 ppm2 1.490
 
! ############### c13noe.1226 folded -
assi (attr store1 < 1.562 and attr store1 > 1.462 )
     ((attr store1 < 4.294 and attr store1 > 4.234 ) and 
      (bondedto (attr store1 < 103.110054566  and attr store1 > 102.310054566 ) or 
       bondedto (attr store1 < 150.834163697  and attr store1 > 150.034163697) or 
       bondedto (attr store1 < 55.3859454343  and attr store1 > 54.5859454343 ))) 
6 0.1 0.1 peak 1226 volume 70.7455 ppm1 4.264 ppm2 1.512
 
! ############### c13noe.1227 folded -
assi (attr store1 < 1.289 and attr store1 > 1.189 )
     ((attr store1 < 4.295 and attr store1 > 4.235 ) and 
      (bondedto (attr store1 < 103.144054566  and attr store1 > 102.344054566 ) or 
       bondedto (attr store1 < 150.868163697  and attr store1 > 150.068163697) or 
       bondedto (attr store1 < 55.4199454343  and attr store1 > 54.6199454343 ))) 
6 0.1 0.1 peak 1227 volume 8.42834 ppm1 4.265 ppm2 1.239
 
! ############### c13noe.1228 folded -
assi (attr store1 < 8.574 and attr store1 > 8.474 )
     ((attr store1 < 4.289 and attr store1 > 4.229 ) and 
      (bondedto (attr store1 < 103.119054566  and attr store1 > 102.319054566 ) or 
       bondedto (attr store1 < 150.843163697  and attr store1 > 150.043163697) or 
       bondedto (attr store1 < 55.3949454343  and attr store1 > 54.5949454343 ))) 
6 0.1 0.1 peak 1228 volume 7.89162 ppm1 4.259 ppm2 8.524
 
! ############### c13noe.1229 folded -
assi (attr store1 < 7.854 and attr store1 > 7.754 )
     ((attr store1 < 4.273 and attr store1 > 4.213 ) and 
      (bondedto (attr store1 < 103.135054566  and attr store1 > 102.335054566 ) or 
       bondedto (attr store1 < 150.859163697  and attr store1 > 150.059163697) or 
       bondedto (attr store1 < 55.4109454343  and attr store1 > 54.6109454343 ))) 
6 0.1 0.1 peak 1229 volume 27.74832 ppm1 4.243 ppm2 7.804
 
! ############### c13noe.1230 folded -
assi (attr store1 < 1.891 and attr store1 > 1.791 )
     ((attr store1 < 4.263 and attr store1 > 4.203 ) and 
      (bondedto (attr store1 < 103.168054566  and attr store1 > 102.368054566 ) or 
       bondedto (attr store1 < 150.892163697  and attr store1 > 150.092163697) or 
       bondedto (attr store1 < 55.4439454343  and attr store1 > 54.6439454343 ))) 
6 0.1 0.1 peak 1230 volume 16.59016 ppm1 4.233 ppm2 1.841
 
! ############### c13noe.1231 folded -
assi (attr store1 < 1.67 and attr store1 > 1.57 )
     ((attr store1 < 4.262 and attr store1 > 4.202 ) and 
      (bondedto (attr store1 < 103.165054566  and attr store1 > 102.365054566 ) or 
       bondedto (attr store1 < 150.889163697  and attr store1 > 150.089163697) or 
       bondedto (attr store1 < 55.4409454343  and attr store1 > 54.6409454343 ))) 
6 0.1 0.1 peak 1231 volume 69.27026 ppm1 4.232 ppm2 1.620
 
! ############### c13noe.1232 folded -
assi (attr store1 < 1.11 and attr store1 > 1.01 )
     ((attr store1 < 4.081 and attr store1 > 4.021 ) and 
      (bondedto (attr store1 < 103.115054566  and attr store1 > 102.315054566 ) or 
       bondedto (attr store1 < 150.839163697  and attr store1 > 150.039163697) or 
       bondedto (attr store1 < 55.3909454343  and attr store1 > 54.5909454343 ))) 
6 0.1 0.1 peak 1232 volume 15.8296 ppm1 4.051 ppm2 1.060
 
! ############### c13noe.1233 folded -
assi (attr store1 < 8.565 and attr store1 > 8.465 )
     ((attr store1 < 4.074 and attr store1 > 4.014 ) and 
      (bondedto (attr store1 < 103.085054566  and attr store1 > 102.285054566 ) or 
       bondedto (attr store1 < 150.809163697  and attr store1 > 150.009163697) or 
       bondedto (attr store1 < 55.3609454343  and attr store1 > 54.5609454343 ))) 
6 0.1 0.1 peak 1233 volume 14.33554 ppm1 4.044 ppm2 8.515
 
! ############### c13noe.1234 folded -
assi (attr store1 < 7.591 and attr store1 > 7.491 )
     ((attr store1 < 4.075 and attr store1 > 4.015 ) and 
      (bondedto (attr store1 < 103.101054566  and attr store1 > 102.301054566 ) or 
       bondedto (attr store1 < 150.825163697  and attr store1 > 150.025163697) or 
       bondedto (attr store1 < 55.3769454343  and attr store1 > 54.5769454343 ))) 
6 0.1 0.1 peak 1234 volume 10.2579 ppm1 4.045 ppm2 7.541
 
! ############### c13noe.1235 folded -
assi (attr store1 < 1.699 and attr store1 > 1.599 )
     ((attr store1 < 4.076 and attr store1 > 4.016 ) and 
      (bondedto (attr store1 < 103.123054566  and attr store1 > 102.323054566 ) or 
       bondedto (attr store1 < 150.847163697  and attr store1 > 150.047163697) or 
       bondedto (attr store1 < 55.3989454343  and attr store1 > 54.5989454343 ))) 
6 0.1 0.1 peak 1235 volume 16.80357 ppm1 4.046 ppm2 1.649
 
! ############### c13noe.1236 folded -
assi (attr store1 < 1.574 and attr store1 > 1.474 )
     ((attr store1 < 4.076 and attr store1 > 4.016 ) and 
      (bondedto (attr store1 < 103.096054566  and attr store1 > 102.296054566 ) or 
       bondedto (attr store1 < 150.820163697  and attr store1 > 150.020163697) or 
       bondedto (attr store1 < 55.3719454343  and attr store1 > 54.5719454343 ))) 
6 0.1 0.1 peak 1236 volume 49.62197 ppm1 4.046 ppm2 1.524
 
! ############### c13noe.1237 folded -
assi (attr store1 < 0.972 and attr store1 > 0.872 )
     ((attr store1 < 4.074 and attr store1 > 4.014 ) and 
      (bondedto (attr store1 < 103.098054566  and attr store1 > 102.298054566 ) or 
       bondedto (attr store1 < 150.822163697  and attr store1 > 150.022163697) or 
       bondedto (attr store1 < 55.3739454343  and attr store1 > 54.5739454343 ))) 
6 0.1 0.1 peak 1237 volume 16.83852 ppm1 4.044 ppm2 0.922
 
! ############### c13noe.1238 folded -
assi (attr store1 < 1.017 and attr store1 > 0.917 )
     ((attr store1 < 0.933 and attr store1 > 0.873 ) and 
      (bondedto (attr store1 < 103.166054566  and attr store1 > 102.366054566 ) or 
       bondedto (attr store1 < 150.890163697  and attr store1 > 150.090163697) or 
       bondedto (attr store1 < 55.4419454343  and attr store1 > 54.6419454343 ))) 
6 0.1 0.1 peak 1238 volume 9.45602 ppm1 0.903 ppm2 0.967
 
! ############### c13noe.1239 folded +
assi (attr store1 < 4.54 and attr store1 > 4.44 )
     ((attr store1 < 2.455 and attr store1 > 2.395 ) and 
      (bondedto (attr store1 < 126.918109131  and attr store1 > 126.118109131 ) or 
       bondedto (attr store1 < 79.194  and attr store1 > 78.394 ) or 
       bondedto (attr store1 < 31.4698908686  and attr store1 > 30.6698908686 ))) 
6 0.1 0.1 peak 1239 volume 15.63217 ppm1 2.425 ppm2 4.490
 
! ############### c13noe.1240 folded +
assi (attr store1 < 3.912 and attr store1 > 3.812 )
     ((attr store1 < 2.392 and attr store1 > 2.332 ) and 
      (bondedto (attr store1 < 126.912109131  and attr store1 > 126.112109131 ) or 
       bondedto (attr store1 < 79.188  and attr store1 > 78.388 ) or 
       bondedto (attr store1 < 31.4638908686  and attr store1 > 30.6638908686 ))) 
6 0.1 0.1 peak 1240 volume 11.97139 ppm1 2.362 ppm2 3.862
 
! ############### c13noe.1241 folded +
assi (attr store1 < 3.835 and attr store1 > 3.735 )
     ((attr store1 < 2.392 and attr store1 > 2.332 ) and 
      (bondedto (attr store1 < 126.920109131  and attr store1 > 126.120109131 ) or 
       bondedto (attr store1 < 79.196  and attr store1 > 78.396 ) or 
       bondedto (attr store1 < 31.4718908686  and attr store1 > 30.6718908686 ))) 
6 0.1 0.1 peak 1241 volume 12.23058 ppm1 2.362 ppm2 3.785
 
! ############### c13noe.1242 folded +
assi (attr store1 < 5.052 and attr store1 > 4.952 )
     ((attr store1 < 2.385 and attr store1 > 2.325 ) and 
      (bondedto (attr store1 < 126.937109131  and attr store1 > 126.137109131 ) or 
       bondedto (attr store1 < 79.213  and attr store1 > 78.413 ) or 
       bondedto (attr store1 < 31.4888908686  and attr store1 > 30.6888908686 ))) 
6 0.1 0.1 peak 1242 volume 14.13763 ppm1 2.355 ppm2 5.002
 
! ############### c13noe.1243 folded +
assi (attr store1 < 2.725 and attr store1 > 2.625 )
     ((attr store1 < 2.356 and attr store1 > 2.296 ) and 
      (bondedto (attr store1 < 126.937109131  and attr store1 > 126.137109131 ) or 
       bondedto (attr store1 < 79.213  and attr store1 > 78.413 ) or 
       bondedto (attr store1 < 31.4888908686  and attr store1 > 30.6888908686 ))) 
6 0.1 0.1 peak 1243 volume 16.99003 ppm1 2.326 ppm2 2.675
 
! ############### c13noe.1244 folded +
assi (attr store1 < 5.047 and attr store1 > 4.947 )
     ((attr store1 < 2.344 and attr store1 > 2.284 ) and 
      (bondedto (attr store1 < 126.932109131  and attr store1 > 126.132109131 ) or 
       bondedto (attr store1 < 79.208  and attr store1 > 78.408 ) or 
       bondedto (attr store1 < 31.4838908686  and attr store1 > 30.6838908686 ))) 
6 0.1 0.1 peak 1244 volume 11.83661 ppm1 2.314 ppm2 4.997
 
! ############### c13noe.1245 folded +
assi (attr store1 < 3.909 and attr store1 > 3.809 )
     ((attr store1 < 2.338 and attr store1 > 2.278 ) and 
      (bondedto (attr store1 < 126.901109131  and attr store1 > 126.101109131 ) or 
       bondedto (attr store1 < 79.177  and attr store1 > 78.377 ) or 
       bondedto (attr store1 < 31.4528908686  and attr store1 > 30.6528908686 ))) 
6 0.1 0.1 peak 1245 volume 11.60824 ppm1 2.308 ppm2 3.859
 
! ############### c13noe.1246 folded +
assi (attr store1 < 3.833 and attr store1 > 3.733 )
     ((attr store1 < 2.329 and attr store1 > 2.269 ) and 
      (bondedto (attr store1 < 126.912109131  and attr store1 > 126.112109131 ) or 
       bondedto (attr store1 < 79.188  and attr store1 > 78.388 ) or 
       bondedto (attr store1 < 31.4638908686  and attr store1 > 30.6638908686 ))) 
6 0.1 0.1 peak 1246 volume 11.45727 ppm1 2.299 ppm2 3.783
 
! ############### c13noe.1247 folded +
assi (attr store1 < 1.25 and attr store1 > 1.15 )
     ((attr store1 < 1.482 and attr store1 > 1.422 ) and 
      (bondedto (attr store1 < 126.917109131  and attr store1 > 126.117109131 ) or 
       bondedto (attr store1 < 79.193  and attr store1 > 78.393 ) or 
       bondedto (attr store1 < 31.4688908686  and attr store1 > 30.6688908686 ))) 
6 0.1 0.1 peak 1247 volume 22.22341 ppm1 1.452 ppm2 1.200
 
! ############### c13noe.1248 folded -
assi (attr store1 < 2.106 and attr store1 > 2.006 )
     ((attr store1 < 4.076 and attr store1 > 4.016 ) and 
      (bondedto (attr store1 < 103.047054566  and attr store1 > 102.247054566 ) or 
       bondedto (attr store1 < 150.771163697  and attr store1 > 149.971163697) or 
       bondedto (attr store1 < 55.3229454343  and attr store1 > 54.5229454343 ))) 
6 0.1 0.1 peak 1248 volume 13.50691 ppm1 4.046 ppm2 2.056
 
! ############### c13noe.1249 folded +
assi (attr store1 < 1.924 and attr store1 > 1.824 )
     ((attr store1 < 0.916 and attr store1 > 0.856 ) and 
      (bondedto (attr store1 < 126.710109131  and attr store1 > 125.910109131 ) or 
       bondedto (attr store1 < 78.986  and attr store1 > 78.186 ) or 
       bondedto (attr store1 < 31.2618908686  and attr store1 > 30.4618908686 ))) 
6 0.1 0.1 peak 1249 volume 10.19532 ppm1 0.886 ppm2 1.874
 
! ############### c13noe.1250 folded +
assi (attr store1 < 1.249 and attr store1 > 1.149 )
     ((attr store1 < 0.907 and attr store1 > 0.847 ) and 
      (bondedto (attr store1 < 126.712109131  and attr store1 > 125.912109131 ) or 
       bondedto (attr store1 < 78.988  and attr store1 > 78.188 ) or 
       bondedto (attr store1 < 31.2638908686  and attr store1 > 30.4638908686 ))) 
6 0.1 0.1 peak 1250 volume 13.66111 ppm1 0.877 ppm2 1.199
 
! ############### c13noe.1251 folded +
assi (attr store1 < 4.045 and attr store1 > 3.945 )
     ((attr store1 < 2.099 and attr store1 > 2.039 ) and 
      (bondedto (attr store1 < 126.628109131  and attr store1 > 125.828109131 ) or 
       bondedto (attr store1 < 78.904  and attr store1 > 78.104 ) or 
       bondedto (attr store1 < 31.1798908686  and attr store1 > 30.3798908686 ))) 
6 0.1 0.1 peak 1251 volume 7.32971 ppm1 2.069 ppm2 3.995
 
! ############### c13noe.1252 folded +
assi (attr store1 < 4.042 and attr store1 > 3.942 )
     ((attr store1 < 2.012 and attr store1 > 1.952 ) and 
      (bondedto (attr store1 < 126.588109131  and attr store1 > 125.788109131 ) or 
       bondedto (attr store1 < 78.864  and attr store1 > 78.064 ) or 
       bondedto (attr store1 < 31.1398908686  and attr store1 > 30.3398908686 ))) 
6 0.1 0.1 peak 1252 volume 7.22138 ppm1 1.982 ppm2 3.992
 
! ############### c13noe.1253 folded +
assi (attr store1 < 1.303 and attr store1 > 1.203 )
     ((attr store1 < 1.867 and attr store1 > 1.807 ) and 
      (bondedto (attr store1 < 126.594109131  and attr store1 > 125.794109131 ) or 
       bondedto (attr store1 < 78.87  and attr store1 > 78.07 ) or 
       bondedto (attr store1 < 31.1458908686  and attr store1 > 30.3458908686 ))) 
6 0.1 0.1 peak 1253 volume 8.11201 ppm1 1.837 ppm2 1.253
 
! ############### c13noe.1254 folded +
assi (attr store1 < 4.176 and attr store1 > 4.076 )
     ((attr store1 < 1.856 and attr store1 > 1.796 ) and 
      (bondedto (attr store1 < 126.591109131  and attr store1 > 125.791109131 ) or 
       bondedto (attr store1 < 78.867  and attr store1 > 78.067 ) or 
       bondedto (attr store1 < 31.1428908686  and attr store1 > 30.3428908686 ))) 
6 0.1 0.1 peak 1254 volume 9.17138 ppm1 1.826 ppm2 4.126
 
! ############### c13noe.1255 folded +
assi (attr store1 < 3.063 and attr store1 > 2.963 )
     ((attr store1 < 1.849 and attr store1 > 1.789 ) and 
      (bondedto (attr store1 < 126.637109131  and attr store1 > 125.837109131 ) or 
       bondedto (attr store1 < 78.913  and attr store1 > 78.113 ) or 
       bondedto (attr store1 < 31.1888908686  and attr store1 > 30.3888908686 ))) 
6 0.1 0.1 peak 1255 volume 12.79111 ppm1 1.819 ppm2 3.013
 
! ############### c13noe.1256 folded +
assi (attr store1 < 4.177 and attr store1 > 4.077 )
     ((attr store1 < 1.751 and attr store1 > 1.691 ) and 
      (bondedto (attr store1 < 126.616109131  and attr store1 > 125.816109131 ) or 
       bondedto (attr store1 < 78.892  and attr store1 > 78.092 ) or 
       bondedto (attr store1 < 31.1678908686  and attr store1 > 30.3678908686 ))) 
6 0.1 0.1 peak 1256 volume 6.73474 ppm1 1.721 ppm2 4.127
 
! ############### c13noe.1257 folded +
assi (attr store1 < 3.065 and attr store1 > 2.965 )
     ((attr store1 < 1.738 and attr store1 > 1.678 ) and 
      (bondedto (attr store1 < 126.645109131  and attr store1 > 125.845109131 ) or 
       bondedto (attr store1 < 78.921  and attr store1 > 78.121 ) or 
       bondedto (attr store1 < 31.1968908686  and attr store1 > 30.3968908686 ))) 
6 0.1 0.1 peak 1257 volume 13.13905 ppm1 1.708 ppm2 3.015
 
! ############### c13noe.1258 folded +
assi (attr store1 < 1.291 and attr store1 > 1.191 )
     ((attr store1 < 1.739 and attr store1 > 1.679 ) and 
      (bondedto (attr store1 < 126.620109131  and attr store1 > 125.820109131 ) or 
       bondedto (attr store1 < 78.896  and attr store1 > 78.096 ) or 
       bondedto (attr store1 < 31.1718908686  and attr store1 > 30.3718908686 ))) 
6 0.1 0.1 peak 1258 volume 10.00254 ppm1 1.709 ppm2 1.241
 
! ############### c13noe.1259 folded +
assi (attr store1 < 4.74 and attr store1 > 4.64 )
     ((attr store1 < 1.736 and attr store1 > 1.676 ) and 
      (bondedto (attr store1 < 126.578109131  and attr store1 > 125.778109131 ) or 
       bondedto (attr store1 < 78.854  and attr store1 > 78.054 ) or 
       bondedto (attr store1 < 31.1298908686  and attr store1 > 30.3298908686 ))) 
6 0.1 0.1 peak 1259 volume 10.58400 ppm1 1.706 ppm2 4.690
 
! ############### c13noe.1260 folded +
assi (attr store1 < 4.208 and attr store1 > 4.108 )
     ((attr store1 < 1.731 and attr store1 > 1.671 ) and 
      (bondedto (attr store1 < 126.617109131  and attr store1 > 125.817109131 ) or 
       bondedto (attr store1 < 78.893  and attr store1 > 78.093 ) or 
       bondedto (attr store1 < 31.1688908686  and attr store1 > 30.3688908686 ))) 
6 0.1 0.1 peak 1260 volume 7.10122 ppm1 1.701 ppm2 4.158
 
! ############### c13noe.1261 folded +
assi (attr store1 < 2.165 and attr store1 > 2.065 )
     ((attr store1 < 0.916 and attr store1 > 0.856 ) and 
      (bondedto (attr store1 < 126.645109131  and attr store1 > 125.845109131 ) or 
       bondedto (attr store1 < 78.921  and attr store1 > 78.121 ) or 
       bondedto (attr store1 < 31.1968908686  and attr store1 > 30.3968908686 ))) 
6 0.1 0.1 peak 1261 volume 8.78118 ppm1 0.886 ppm2 2.115
 
! ############### c13noe.1262 folded +
assi (attr store1 < 1.497 and attr store1 > 1.397 )
     ((attr store1 < 0.904 and attr store1 > 0.844 ) and 
      (bondedto (attr store1 < 126.664109131  and attr store1 > 125.864109131 ) or 
       bondedto (attr store1 < 78.94  and attr store1 > 78.14 ) or 
       bondedto (attr store1 < 31.2158908686  and attr store1 > 30.4158908686 ))) 
6 0.1 0.1 peak 1262 volume 9.78305 ppm1 0.874 ppm2 1.447
 
! ############### c13noe.1263 folded +
assi (attr store1 < 8.063 and attr store1 > 7.963 )
     ((attr store1 < 2.441 and attr store1 > 2.381 ) and 
      (bondedto (attr store1 < 126.520109131  and attr store1 > 125.720109131 ) or 
       bondedto (attr store1 < 78.796  and attr store1 > 77.996 ) or 
       bondedto (attr store1 < 31.0718908686  and attr store1 > 30.2718908686 ))) 
6 0.1 0.1 peak 1263 volume 8.18076 ppm1 2.411 ppm2 8.013
 
! ############### c13noe.1264 folded +
assi (attr store1 < 1.65 and attr store1 > 1.55 )
     ((attr store1 < 2.437 and attr store1 > 2.377 ) and 
      (bondedto (attr store1 < 126.481109131  and attr store1 > 125.681109131 ) or 
       bondedto (attr store1 < 78.757  and attr store1 > 77.957 ) or 
       bondedto (attr store1 < 31.0328908686  and attr store1 > 30.2328908686 ))) 
6 0.1 0.1 peak 1264 volume 8.03057 ppm1 2.407 ppm2 1.600
 
! ############### c13noe.1265 folded +
assi (attr store1 < 8.059 and attr store1 > 7.959 )
     ((attr store1 < 2.025 and attr store1 > 1.965 ) and 
      (bondedto (attr store1 < 126.523109131  and attr store1 > 125.723109131 ) or 
       bondedto (attr store1 < 78.799  and attr store1 > 77.999 ) or 
       bondedto (attr store1 < 31.0748908686  and attr store1 > 30.2748908686 ))) 
6 0.1 0.1 peak 1265 volume 8.96675 ppm1 1.995 ppm2 8.009
 
! ############### c13noe.1266 folded +
assi (attr store1 < 7.876 and attr store1 > 7.776 )
     ((attr store1 < 2.023 and attr store1 > 1.963 ) and 
      (bondedto (attr store1 < 126.517109131  and attr store1 > 125.717109131 ) or 
       bondedto (attr store1 < 78.793  and attr store1 > 77.993 ) or 
       bondedto (attr store1 < 31.0688908686  and attr store1 > 30.2688908686 ))) 
6 0.1 0.1 peak 1266 volume 6.85825 ppm1 1.993 ppm2 7.826
 
! ############### c13noe.1267 folded +
assi (attr store1 < 4.532 and attr store1 > 4.432 )
     ((attr store1 < 2.019 and attr store1 > 1.959 ) and 
      (bondedto (attr store1 < 126.534109131  and attr store1 > 125.734109131 ) or 
       bondedto (attr store1 < 78.81  and attr store1 > 78.01 ) or 
       bondedto (attr store1 < 31.0858908686  and attr store1 > 30.2858908686 ))) 
6 0.1 0.1 peak 1267 volume 12.10310 ppm1 1.989 ppm2 4.482
 
! ############### c13noe.1268 folded +
assi (attr store1 < 2.85 and attr store1 > 2.75 )
     ((attr store1 < 1.92 and attr store1 > 1.86 ) and 
      (bondedto (attr store1 < 126.493109131  and attr store1 > 125.693109131 ) or 
       bondedto (attr store1 < 78.769  and attr store1 > 77.969 ) or 
       bondedto (attr store1 < 31.0448908686  and attr store1 > 30.2448908686 ))) 
6 0.1 0.1 peak 1268 volume 8.70185 ppm1 1.890 ppm2 2.800
 
! ############### c13noe.1269 folded +
assi (attr store1 < 2.653 and attr store1 > 2.553 )
     ((attr store1 < 1.914 and attr store1 > 1.854 ) and 
      (bondedto (attr store1 < 126.524109131  and attr store1 > 125.724109131 ) or 
       bondedto (attr store1 < 78.8  and attr store1 > 78.0 ) or 
       bondedto (attr store1 < 31.0758908686  and attr store1 > 30.2758908686 ))) 
6 0.1 0.1 peak 1269 volume 11.76068 ppm1 1.884 ppm2 2.603
 
! ############### c13noe.1270 folded +
assi (attr store1 < 0.915 and attr store1 > 0.815 )
     ((attr store1 < 1.907 and attr store1 > 1.847 ) and 
      (bondedto (attr store1 < 126.497109131  and attr store1 > 125.697109131 ) or 
       bondedto (attr store1 < 78.773  and attr store1 > 77.973 ) or 
       bondedto (attr store1 < 31.0488908686  and attr store1 > 30.2488908686 ))) 
6 0.1 0.1 peak 1270 volume 27.55600 ppm1 1.877 ppm2 0.865
 
! ############### c13noe.1271 folded +
assi (attr store1 < 8.15 and attr store1 > 8.05 )
     ((attr store1 < 1.839 and attr store1 > 1.779 ) and 
      (bondedto (attr store1 < 126.486109131  and attr store1 > 125.686109131 ) or 
       bondedto (attr store1 < 78.762  and attr store1 > 77.962 ) or 
       bondedto (attr store1 < 31.0378908686  and attr store1 > 30.2378908686 ))) 
6 0.1 0.1 peak 1271 volume 6.64359 ppm1 1.809 ppm2 8.100
 
! ############### c13noe.1272 folded +
assi (attr store1 < 4.754 and attr store1 > 4.654 )
     ((attr store1 < 1.828 and attr store1 > 1.768 ) and 
      (bondedto (attr store1 < 126.523109131  and attr store1 > 125.723109131 ) or 
       bondedto (attr store1 < 78.799  and attr store1 > 77.999 ) or 
       bondedto (attr store1 < 31.0748908686  and attr store1 > 30.2748908686 ))) 
6 0.1 0.1 peak 1272 volume 19.17309 ppm1 1.798 ppm2 4.704
 
! ############### c13noe.1273 folded +
assi (attr store1 < 0.955 and attr store1 > 0.855 )
     ((attr store1 < 1.812 and attr store1 > 1.752 ) and 
      (bondedto (attr store1 < 126.509109131  and attr store1 > 125.709109131 ) or 
       bondedto (attr store1 < 78.785  and attr store1 > 77.985 ) or 
       bondedto (attr store1 < 31.0608908686  and attr store1 > 30.2608908686 ))) 
6 0.1 0.1 peak 1273 volume 6.04318 ppm1 1.782 ppm2 0.905
 
! ############### c13noe.1274 folded +
assi (attr store1 < 4.745 and attr store1 > 4.645 )
     ((attr store1 < 1.749 and attr store1 > 1.689 ) and 
      (bondedto (attr store1 < 126.538109131  and attr store1 > 125.738109131 ) or 
       bondedto (attr store1 < 78.814  and attr store1 > 78.014 ) or 
       bondedto (attr store1 < 31.0898908686  and attr store1 > 30.2898908686 ))) 
6 0.1 0.1 peak 1274 volume 10.06010 ppm1 1.719 ppm2 4.695
 
! ############### c13noe.1275 folded +
assi (attr store1 < 1.295 and attr store1 > 1.195 )
     ((attr store1 < 1.75 and attr store1 > 1.69 ) and 
      (bondedto (attr store1 < 126.552109131  and attr store1 > 125.752109131 ) or 
       bondedto (attr store1 < 78.828  and attr store1 > 78.028 ) or 
       bondedto (attr store1 < 31.1038908686  and attr store1 > 30.3038908686 ))) 
6 0.1 0.1 peak 1275 volume 9.42104 ppm1 1.720 ppm2 1.245
 
! ############### c13noe.1276 folded +
assi (attr store1 < 1.908 and attr store1 > 1.808 )
     ((attr store1 < 0.911 and attr store1 > 0.851 ) and 
      (bondedto (attr store1 < 126.541109131  and attr store1 > 125.741109131 ) or 
       bondedto (attr store1 < 78.817  and attr store1 > 78.017 ) or 
       bondedto (attr store1 < 31.0928908686  and attr store1 > 30.2928908686 ))) 
6 0.1 0.1 peak 1276 volume 9.83655 ppm1 0.881 ppm2 1.858
 
! ############### c13noe.1277 folded +
assi (attr store1 < 1.937 and attr store1 > 1.837 )
     ((attr store1 < 0.897 and attr store1 > 0.837 ) and 
      (bondedto (attr store1 < 126.509109131  and attr store1 > 125.709109131 ) or 
       bondedto (attr store1 < 78.785  and attr store1 > 77.985 ) or 
       bondedto (attr store1 < 31.0608908686  and attr store1 > 30.2608908686 ))) 
6 0.1 0.1 peak 1277 volume 10.60719 ppm1 0.867 ppm2 1.887
 
! ############### c13noe.1278 folded +
assi (attr store1 < 1.928 and attr store1 > 1.828 )
     ((attr store1 < 0.871 and attr store1 > 0.811 ) and 
      (bondedto (attr store1 < 126.503109131  and attr store1 > 125.703109131 ) or 
       bondedto (attr store1 < 78.779  and attr store1 > 77.979 ) or 
       bondedto (attr store1 < 31.0548908686  and attr store1 > 30.2548908686 ))) 
6 0.1 0.1 peak 1278 volume 8.96926 ppm1 0.841 ppm2 1.878
 
! ############### c13noe.1279 folded -
assi (attr store1 < 3.886 and attr store1 > 3.786 )
     ((attr store1 < 3.702 and attr store1 > 3.642 ) and 
      (bondedto (attr store1 < 102.633054566  and attr store1 > 101.833054566 ) or 
       bondedto (attr store1 < 150.357163697  and attr store1 > 149.557163697) or 
       bondedto (attr store1 < 54.9089454343  and attr store1 > 54.1089454343 ))) 
6 0.1 0.1 peak 1279 volume 15.74599 ppm1 3.672 ppm2 3.836
 
! ############### c13noe.1280 folded +
assi (attr store1 < 1.925 and attr store1 > 1.825 )
     ((attr store1 < 2.636 and attr store1 > 2.576 ) and 
      (bondedto (attr store1 < 126.459109131  and attr store1 > 125.659109131 ) or 
       bondedto (attr store1 < 78.735  and attr store1 > 77.935 ) or 
       bondedto (attr store1 < 31.0108908686  and attr store1 > 30.2108908686 ))) 
6 0.1 0.1 peak 1280 volume 13.37502 ppm1 2.606 ppm2 1.875
 
! ############### c13noe.1281 folded +
assi (attr store1 < 3.717 and attr store1 > 3.617 )
     ((attr store1 < 1.939 and attr store1 > 1.879 ) and 
      (bondedto (attr store1 < 126.458109131  and attr store1 > 125.658109131 ) or 
       bondedto (attr store1 < 78.734  and attr store1 > 77.934 ) or 
       bondedto (attr store1 < 31.0098908686  and attr store1 > 30.2098908686 ))) 
6 0.1 0.1 peak 1281 volume 12.50451 ppm1 1.909 ppm2 3.667
 
! ############### c13noe.1282 folded +
assi (attr store1 < 3.305 and attr store1 > 3.205 )
     ((attr store1 < 1.937 and attr store1 > 1.877 ) and 
      (bondedto (attr store1 < 126.415109131  and attr store1 > 125.615109131 ) or 
       bondedto (attr store1 < 78.691  and attr store1 > 77.891 ) or 
       bondedto (attr store1 < 30.9668908686  and attr store1 > 30.1668908686 ))) 
6 0.1 0.1 peak 1282 volume 14.29162 ppm1 1.907 ppm2 3.255
 
! ############### c13noe.1283 folded +
assi (attr store1 < 1.775 and attr store1 > 1.675 )
     ((attr store1 < 1.938 and attr store1 > 1.878 ) and 
      (bondedto (attr store1 < 126.414109131  and attr store1 > 125.614109131 ) or 
       bondedto (attr store1 < 78.69  and attr store1 > 77.89 ) or 
       bondedto (attr store1 < 30.9658908686  and attr store1 > 30.1658908686 ))) 
6 0.1 0.1 peak 1283 volume 252.98827 ppm1 1.908 ppm2 1.725
 
! ############### c13noe.1284 folded +
assi (attr store1 < 4.758 and attr store1 > 4.658 )
     ((attr store1 < 1.934 and attr store1 > 1.874 ) and 
      (bondedto (attr store1 < 126.449109131  and attr store1 > 125.649109131 ) or 
       bondedto (attr store1 < 78.725  and attr store1 > 77.925 ) or 
       bondedto (attr store1 < 31.0008908686  and attr store1 > 30.2008908686 ))) 
6 0.1 0.1 peak 1284 volume 23.06642 ppm1 1.904 ppm2 4.708
 
! ############### c13noe.1285 folded +
assi (attr store1 < 3.621 and attr store1 > 3.521 )
     ((attr store1 < 1.93 and attr store1 > 1.87 ) and 
      (bondedto (attr store1 < 126.460109131  and attr store1 > 125.660109131 ) or 
       bondedto (attr store1 < 78.736  and attr store1 > 77.936 ) or 
       bondedto (attr store1 < 31.0118908686  and attr store1 > 30.2118908686 ))) 
6 0.1 0.1 peak 1285 volume 9.88985 ppm1 1.900 ppm2 3.571
 
! ############### c13noe.1286 folded +
assi (attr store1 < 3.899 and attr store1 > 3.799 )
     ((attr store1 < 1.929 and attr store1 > 1.869 ) and 
      (bondedto (attr store1 < 126.466109131  and attr store1 > 125.666109131 ) or 
       bondedto (attr store1 < 78.742  and attr store1 > 77.942 ) or 
       bondedto (attr store1 < 31.0178908686  and attr store1 > 30.2178908686 ))) 
6 0.1 0.1 peak 1286 volume 7.64109 ppm1 1.899 ppm2 3.849
 
! ############### c13noe.1287 folded +
assi (attr store1 < 7.825 and attr store1 > 7.725 )
     ((attr store1 < 1.92 and attr store1 > 1.86 ) and 
      (bondedto (attr store1 < 126.447109131  and attr store1 > 125.647109131 ) or 
       bondedto (attr store1 < 78.723  and attr store1 > 77.923 ) or 
       bondedto (attr store1 < 30.9988908686  and attr store1 > 30.1988908686 ))) 
6 0.1 0.1 peak 1287 volume 8.39939 ppm1 1.890 ppm2 7.775
 
! ############### c13noe.1288 folded +
assi (attr store1 < 0.838 and attr store1 > 0.738 )
     ((attr store1 < 1.916 and attr store1 > 1.856 ) and 
      (bondedto (attr store1 < 126.454109131  and attr store1 > 125.654109131 ) or 
       bondedto (attr store1 < 78.73  and attr store1 > 77.93 ) or 
       bondedto (attr store1 < 31.0058908686  and attr store1 > 30.2058908686 ))) 
6 0.1 0.1 peak 1288 volume 45.18314 ppm1 1.886 ppm2 0.788
 
! ############### c13noe.1289 folded +
assi (attr store1 < 0.959 and attr store1 > 0.859 )
     ((attr store1 < 1.9 and attr store1 > 1.84 ) and 
      (bondedto (attr store1 < 126.451109131  and attr store1 > 125.651109131 ) or 
       bondedto (attr store1 < 78.727  and attr store1 > 77.927 ) or 
       bondedto (attr store1 < 31.0028908686  and attr store1 > 30.2028908686 ))) 
6 0.1 0.1 peak 1289 volume 27.34219 ppm1 1.870 ppm2 0.909
 
! ############### c13noe.1290 folded +
assi (attr store1 < 1.944 and attr store1 > 1.844 )
     ((attr store1 < 1.831 and attr store1 > 1.771 ) and 
      (bondedto (attr store1 < 126.457109131  and attr store1 > 125.657109131 ) or 
       bondedto (attr store1 < 78.733  and attr store1 > 77.933 ) or 
       bondedto (attr store1 < 31.0088908686  and attr store1 > 30.2088908686 ))) 
6 0.1 0.1 peak 1290 volume 601.57526 ppm1 1.801 ppm2 1.894
 
! ############### c13noe.1291 folded +
assi (attr store1 < 3.721 and attr store1 > 3.621 )
     ((attr store1 < 1.829 and attr store1 > 1.769 ) and 
      (bondedto (attr store1 < 126.465109131  and attr store1 > 125.665109131 ) or 
       bondedto (attr store1 < 78.741  and attr store1 > 77.941 ) or 
       bondedto (attr store1 < 31.0168908686  and attr store1 > 30.2168908686 ))) 
6 0.1 0.1 peak 1291 volume 8.95329 ppm1 1.799 ppm2 3.671
 
! ############### c13noe.1292 folded +
assi (attr store1 < 3.303 and attr store1 > 3.203 )
     ((attr store1 < 1.83 and attr store1 > 1.77 ) and 
      (bondedto (attr store1 < 126.441109131  and attr store1 > 125.641109131 ) or 
       bondedto (attr store1 < 78.717  and attr store1 > 77.917 ) or 
       bondedto (attr store1 < 30.9928908686  and attr store1 > 30.1928908686 ))) 
6 0.1 0.1 peak 1292 volume 12.64169 ppm1 1.800 ppm2 3.253
 
! ############### c13noe.1293 folded +
assi (attr store1 < 1.469 and attr store1 > 1.369 )
     ((attr store1 < 1.71 and attr store1 > 1.65 ) and 
      (bondedto (attr store1 < 126.421109131  and attr store1 > 125.621109131 ) or 
       bondedto (attr store1 < 78.697  and attr store1 > 77.897 ) or 
       bondedto (attr store1 < 30.9728908686  and attr store1 > 30.1728908686 ))) 
6 0.1 0.1 peak 1293 volume 20.41596 ppm1 1.680 ppm2 1.419
 
! ############### c13noe.1294 folded +
assi (attr store1 < 1.174 and attr store1 > 1.074 )
     ((attr store1 < 1.708 and attr store1 > 1.648 ) and 
      (bondedto (attr store1 < 126.444109131  and attr store1 > 125.644109131 ) or 
       bondedto (attr store1 < 78.72  and attr store1 > 77.92 ) or 
       bondedto (attr store1 < 30.9958908686  and attr store1 > 30.1958908686 ))) 
6 0.1 0.1 peak 1294 volume 15.37941 ppm1 1.678 ppm2 1.124
 
! ############### c13noe.1295 folded +
assi (attr store1 < 4.387 and attr store1 > 4.287 )
     ((attr store1 < 1.701 and attr store1 > 1.641 ) and 
      (bondedto (attr store1 < 126.400109131  and attr store1 > 125.600109131 ) or 
       bondedto (attr store1 < 78.676  and attr store1 > 77.876 ) or 
       bondedto (attr store1 < 30.9518908686  and attr store1 > 30.1518908686 ))) 
6 0.1 0.1 peak 1295 volume 16.16381 ppm1 1.671 ppm2 4.337
 
! ############### c13noe.1296 folded +
assi (attr store1 < 1.628 and attr store1 > 1.528 )
     ((attr store1 < 1.704 and attr store1 > 1.644 ) and 
      (bondedto (attr store1 < 126.451109131  and attr store1 > 125.651109131 ) or 
       bondedto (attr store1 < 78.727  and attr store1 > 77.927 ) or 
       bondedto (attr store1 < 31.0028908686  and attr store1 > 30.2028908686 ))) 
6 0.1 0.1 peak 1296 volume 72.40138 ppm1 1.674 ppm2 1.578
 
! ############### c13noe.1297 folded +
assi (attr store1 < 4.381 and attr store1 > 4.281 )
     ((attr store1 < 1.612 and attr store1 > 1.552 ) and 
      (bondedto (attr store1 < 126.429109131  and attr store1 > 125.629109131 ) or 
       bondedto (attr store1 < 78.705  and attr store1 > 77.905 ) or 
       bondedto (attr store1 < 30.9808908686  and attr store1 > 30.1808908686 ))) 
6 0.1 0.1 peak 1297 volume 12.63707 ppm1 1.582 ppm2 4.331
 
! ############### c13noe.1298 folded +
assi (attr store1 < 1.463 and attr store1 > 1.363 )
     ((attr store1 < 1.607 and attr store1 > 1.547 ) and 
      (bondedto (attr store1 < 126.427109131  and attr store1 > 125.627109131 ) or 
       bondedto (attr store1 < 78.703  and attr store1 > 77.903 ) or 
       bondedto (attr store1 < 30.9788908686  and attr store1 > 30.1788908686 ))) 
6 0.1 0.1 peak 1298 volume 24.08030 ppm1 1.577 ppm2 1.413
 
! ############### c13noe.1299 folded +
assi (attr store1 < 1.719 and attr store1 > 1.619 )
     ((attr store1 < 1.604 and attr store1 > 1.544 ) and 
      (bondedto (attr store1 < 126.427109131  and attr store1 > 125.627109131 ) or 
       bondedto (attr store1 < 78.703  and attr store1 > 77.903 ) or 
       bondedto (attr store1 < 30.9788908686  and attr store1 > 30.1788908686 ))) 
6 0.1 0.1 peak 1299 volume 74.11655 ppm1 1.574 ppm2 1.669
 
! ############### c13noe.1300 folded +
assi (attr store1 < 1.175 and attr store1 > 1.075 )
     ((attr store1 < 1.604 and attr store1 > 1.544 ) and 
      (bondedto (attr store1 < 126.440109131  and attr store1 > 125.640109131 ) or 
       bondedto (attr store1 < 78.716  and attr store1 > 77.916 ) or 
       bondedto (attr store1 < 30.9918908686  and attr store1 > 30.1918908686 ))) 
6 0.1 0.1 peak 1300 volume 16.87161 ppm1 1.574 ppm2 1.125
 
! ############### c13noe.1301 folded +
assi (attr store1 < 3.624 and attr store1 > 3.524 )
     ((attr store1 < 0.83 and attr store1 > 0.77 ) and 
      (bondedto (attr store1 < 126.454109131  and attr store1 > 125.654109131 ) or 
       bondedto (attr store1 < 78.73  and attr store1 > 77.93 ) or 
       bondedto (attr store1 < 31.0058908686  and attr store1 > 30.2058908686 ))) 
6 0.1 0.1 peak 1301 volume 8.02414 ppm1 0.800 ppm2 3.574
 
! ############### c13noe.1302 folded +
assi (attr store1 < 1.949 and attr store1 > 1.849 )
     ((attr store1 < 0.823 and attr store1 > 0.763 ) and 
      (bondedto (attr store1 < 126.454109131  and attr store1 > 125.654109131 ) or 
       bondedto (attr store1 < 78.73  and attr store1 > 77.93 ) or 
       bondedto (attr store1 < 31.0058908686  and attr store1 > 30.2058908686 ))) 
6 0.1 0.1 peak 1302 volume 18.34066 ppm1 0.793 ppm2 1.899
 
! ############### c13noe.1303 folded -
assi (attr store1 < 3.722 and attr store1 > 3.622 )
     ((attr store1 < 3.872 and attr store1 > 3.812 ) and 
      (bondedto (attr store1 < 102.582054566  and attr store1 > 101.782054566 ) or 
       bondedto (attr store1 < 150.306163697  and attr store1 > 149.506163697) or 
       bondedto (attr store1 < 54.8579454343  and attr store1 > 54.0579454343 ))) 
6 0.1 0.1 peak 1303 volume 16.87973 ppm1 3.842 ppm2 3.672
 
! ############### c13noe.1304 folded -
assi (attr store1 < 3.905 and attr store1 > 3.805 )
     ((attr store1 < 3.808 and attr store1 > 3.748 ) and 
      (bondedto (attr store1 < 102.584054566  and attr store1 > 101.784054566 ) or 
       bondedto (attr store1 < 150.308163697  and attr store1 > 149.508163697) or 
       bondedto (attr store1 < 54.8599454343  and attr store1 > 54.0599454343 ))) 
6 0.1 0.1 peak 1304 volume 11.03218 ppm1 3.778 ppm2 3.855
 
! ############### c13noe.1305 folded -
assi (attr store1 < 1.506 and attr store1 > 1.406 )
     ((attr store1 < 1.219 and attr store1 > 1.159 ) and 
      (bondedto (attr store1 < 102.496054566  and attr store1 > 101.696054566 ) or 
       bondedto (attr store1 < 150.220163697  and attr store1 > 149.420163697) or 
       bondedto (attr store1 < 54.7719454343  and attr store1 > 53.9719454343 ))) 
6 0.1 0.1 peak 1305 volume 7.71347 ppm1 1.189 ppm2 1.456
 
! ############### c13noe.1306 folded -
assi (attr store1 < 0.849 and attr store1 > 0.749 )
     ((attr store1 < 0.521 and attr store1 > 0.461 ) and 
      (bondedto (attr store1 < 102.457054566  and attr store1 > 101.657054566 ) or 
       bondedto (attr store1 < 150.181163697  and attr store1 > 149.381163697) or 
       bondedto (attr store1 < 54.7329454343  and attr store1 > 53.9329454343 ))) 
6 0.1 0.1 peak 1306 volume 8.30676 ppm1 0.491 ppm2 0.799
 
! ############### c13noe.1307 folded +
assi (attr store1 < 3.209 and attr store1 > 3.109 )
     ((attr store1 < 3.283 and attr store1 > 3.223 ) and 
      (bondedto (attr store1 < 126.113109131  and attr store1 > 125.313109131 ) or 
       bondedto (attr store1 < 78.389  and attr store1 > 77.589 ) or 
       bondedto (attr store1 < 30.6648908686  and attr store1 > 29.8648908686 ))) 
6 0.1 0.1 peak 1307 volume 1330.84131 ppm1 3.253 ppm2 3.159
 
! ############### c13noe.1308 folded +
assi (attr store1 < 4.524 and attr store1 > 4.424 )
     ((attr store1 < 3.278 and attr store1 > 3.218 ) and 
      (bondedto (attr store1 < 126.170109131  and attr store1 > 125.370109131 ) or 
       bondedto (attr store1 < 78.446  and attr store1 > 77.646 ) or 
       bondedto (attr store1 < 30.7218908686  and attr store1 > 29.9218908686 ))) 
6 0.1 0.1 peak 1308 volume 14.10870 ppm1 3.248 ppm2 4.474
 
! ############### c13noe.1309 folded +
assi (attr store1 < 4.53 and attr store1 > 4.43 )
     ((attr store1 < 3.193 and attr store1 > 3.133 ) and 
      (bondedto (attr store1 < 126.142109131  and attr store1 > 125.342109131 ) or 
       bondedto (attr store1 < 78.418  and attr store1 > 77.618 ) or 
       bondedto (attr store1 < 30.6938908686  and attr store1 > 29.8938908686 ))) 
6 0.1 0.1 peak 1309 volume 24.17032 ppm1 3.163 ppm2 4.480
 
! ############### c13noe.1310 folded -
assi (attr store1 < 2.622 and attr store1 > 2.522 )
     ((attr store1 < 3.485 and attr store1 > 3.425 ) and 
      (bondedto (attr store1 < 102.305054566  and attr store1 > 101.505054566 ) or 
       bondedto (attr store1 < 150.029163697  and attr store1 > 149.229163697) or 
       bondedto (attr store1 < 54.5809454343  and attr store1 > 53.7809454343 ))) 
6 0.1 0.1 peak 1310 volume 17.127 ppm1 3.455 ppm2 2.572
 
! ############### c13noe.1311 folded -
assi (attr store1 < 0.997 and attr store1 > 0.897 )
     ((attr store1 < 1.147 and attr store1 > 1.087 ) and 
      (bondedto (attr store1 < 102.313054566  and attr store1 > 101.513054566 ) or 
       bondedto (attr store1 < 150.037163697  and attr store1 > 149.237163697) or 
       bondedto (attr store1 < 54.5889454343  and attr store1 > 53.7889454343 ))) 
6 0.1 0.1 peak 1311 volume 13.90509 ppm1 1.117 ppm2 0.947
 
! ############### c13noe.1312 folded -
assi (attr store1 < 2.362 and attr store1 > 2.262 )
     ((attr store1 < 1.971 and attr store1 > 1.911 ) and 
      (bondedto (attr store1 < 102.245054566  and attr store1 > 101.445054566 ) or 
       bondedto (attr store1 < 149.969163697  and attr store1 > 149.169163697) or 
       bondedto (attr store1 < 54.5209454343  and attr store1 > 53.7209454343 ))) 
6 0.1 0.1 peak 1312 volume 25.45983 ppm1 1.941 ppm2 2.312
 
! ############### c13noe.1313 folded +
assi (attr store1 < 3.303 and attr store1 > 3.203 )
     ((attr store1 < 3.19 and attr store1 > 3.13 ) and 
      (bondedto (attr store1 < 125.996109131  and attr store1 > 125.196109131 ) or 
       bondedto (attr store1 < 78.272  and attr store1 > 77.472 ) or 
       bondedto (attr store1 < 30.5478908686  and attr store1 > 29.7478908686 ))) 
6 0.1 0.1 peak 1313 volume 1238.28613 ppm1 3.160 ppm2 3.253
 
! ############### c13noe.1314 folded +
assi (attr store1 < 7.822 and attr store1 > 7.722 )
     ((attr store1 < 2.243 and attr store1 > 2.183 ) and 
      (bondedto (attr store1 < 125.996109131  and attr store1 > 125.196109131 ) or 
       bondedto (attr store1 < 78.272  and attr store1 > 77.472 ) or 
       bondedto (attr store1 < 30.5478908686  and attr store1 > 29.7478908686 ))) 
6 0.1 0.1 peak 1314 volume 39.37182 ppm1 2.213 ppm2 7.772
 
! ############### c13noe.1315 folded +
assi (attr store1 < 4.052 and attr store1 > 3.952 )
     ((attr store1 < 2.245 and attr store1 > 2.185 ) and 
      (bondedto (attr store1 < 125.981109131  and attr store1 > 125.181109131 ) or 
       bondedto (attr store1 < 78.257  and attr store1 > 77.457 ) or 
       bondedto (attr store1 < 30.5328908686  and attr store1 > 29.7328908686 ))) 
6 0.1 0.1 peak 1315 volume 20.59256 ppm1 2.215 ppm2 4.002
 
! ############### c13noe.1316 folded +
assi (attr store1 < 7.82 and attr store1 > 7.72 )
     ((attr store1 < 2.233 and attr store1 > 2.173 ) and 
      (bondedto (attr store1 < 125.984109131  and attr store1 > 125.184109131 ) or 
       bondedto (attr store1 < 78.26  and attr store1 > 77.46 ) or 
       bondedto (attr store1 < 30.5358908686  and attr store1 > 29.7358908686 ))) 
6 0.1 0.1 peak 1316 volume 40.38139 ppm1 2.203 ppm2 7.770
 
! ############### c13noe.1317 folded +
assi (attr store1 < 4.191 and attr store1 > 4.091 )
     ((attr store1 < 2.228 and attr store1 > 2.168 ) and 
      (bondedto (attr store1 < 125.939109131  and attr store1 > 125.139109131 ) or 
       bondedto (attr store1 < 78.215  and attr store1 > 77.415 ) or 
       bondedto (attr store1 < 30.4908908686  and attr store1 > 29.6908908686 ))) 
6 0.1 0.1 peak 1317 volume 48.07837 ppm1 2.198 ppm2 4.141
 
! ############### c13noe.1318 folded +
assi (attr store1 < 7.822 and attr store1 > 7.722 )
     ((attr store1 < 2.225 and attr store1 > 2.165 ) and 
      (bondedto (attr store1 < 125.983109131  and attr store1 > 125.183109131 ) or 
       bondedto (attr store1 < 78.259  and attr store1 > 77.459 ) or 
       bondedto (attr store1 < 30.5348908686  and attr store1 > 29.7348908686 ))) 
6 0.1 0.1 peak 1318 volume 40.99776 ppm1 2.195 ppm2 7.772
 
! ############### c13noe.1319 folded +
assi (attr store1 < 1.246 and attr store1 > 1.146 )
     ((attr store1 < 1.487 and attr store1 > 1.427 ) and 
      (bondedto (attr store1 < 125.936109131  and attr store1 > 125.136109131 ) or 
       bondedto (attr store1 < 78.212  and attr store1 > 77.412 ) or 
       bondedto (attr store1 < 30.4878908686  and attr store1 > 29.6878908686 ))) 
6 0.1 0.1 peak 1319 volume 20.89659 ppm1 1.457 ppm2 1.196
 
! ############### c13noe.1320 folded +
assi (attr store1 < 1.504 and attr store1 > 1.404 )
     ((attr store1 < 1.228 and attr store1 > 1.168 ) and 
      (bondedto (attr store1 < 125.943109131  and attr store1 > 125.143109131 ) or 
       bondedto (attr store1 < 78.219  and attr store1 > 77.419 ) or 
       bondedto (attr store1 < 30.4948908686  and attr store1 > 29.6948908686 ))) 
6 0.1 0.1 peak 1320 volume 20.07628 ppm1 1.198 ppm2 1.454
 
! ############### c13noe.1321 folded +
assi (attr store1 < 2.256 and attr store1 > 2.156 )
     ((attr store1 < 2.516 and attr store1 > 2.456 ) and 
      (bondedto (attr store1 < 125.900109131  and attr store1 > 125.100109131 ) or 
       bondedto (attr store1 < 78.176  and attr store1 > 77.376 ) or 
       bondedto (attr store1 < 30.4518908686  and attr store1 > 29.6518908686 ))) 
6 0.1 0.1 peak 1321 volume 14.56314 ppm1 2.486 ppm2 2.206
 
! ############### c13noe.1322 folded +
assi (attr store1 < 3.884 and attr store1 > 3.784 )
     ((attr store1 < 3.701 and attr store1 > 3.641 ) and 
      (bondedto (attr store1 < 125.809109131  and attr store1 > 125.009109131 ) or 
       bondedto (attr store1 < 78.085  and attr store1 > 77.285 ) or 
       bondedto (attr store1 < 30.3608908686  and attr store1 > 29.5608908686 ))) 
6 0.1 0.1 peak 1322 volume 12.05806 ppm1 3.671 ppm2 3.834
 
! ############### c13noe.1323 folded +
assi (attr store1 < 4.505 and attr store1 > 4.405 )
     ((attr store1 < 1.759 and attr store1 > 1.699 ) and 
      (bondedto (attr store1 < 125.777109131  and attr store1 > 124.977109131 ) or 
       bondedto (attr store1 < 78.053  and attr store1 > 77.253 ) or 
       bondedto (attr store1 < 30.3288908686  and attr store1 > 29.5288908686 ))) 
6 0.1 0.1 peak 1323 volume 19.05737 ppm1 1.729 ppm2 4.455
 
! ############### c13noe.1324 folded +
assi (attr store1 < 1.024 and attr store1 > 0.924 )
     ((attr store1 < 1.455 and attr store1 > 1.395 ) and 
      (bondedto (attr store1 < 125.784109131  and attr store1 > 124.984109131 ) or 
       bondedto (attr store1 < 78.06  and attr store1 > 77.26 ) or 
       bondedto (attr store1 < 30.3358908686  and attr store1 > 29.5358908686 ))) 
6 0.1 0.1 peak 1324 volume 13.29295 ppm1 1.425 ppm2 0.974
 
! ############### c13noe.1325 folded +
assi (attr store1 < 0.923 and attr store1 > 0.823 )
     ((attr store1 < 1.453 and attr store1 > 1.393 ) and 
      (bondedto (attr store1 < 125.796109131  and attr store1 > 124.996109131 ) or 
       bondedto (attr store1 < 78.072  and attr store1 > 77.272 ) or 
       bondedto (attr store1 < 30.3478908686  and attr store1 > 29.5478908686 ))) 
6 0.1 0.1 peak 1325 volume 17.60398 ppm1 1.423 ppm2 0.873
 
! ############### c13noe.1326 folded +
assi (attr store1 < 4.003 and attr store1 > 3.903 )
     ((attr store1 < 1.107 and attr store1 > 1.047 ) and 
      (bondedto (attr store1 < 125.752109131  and attr store1 > 124.952109131 ) or 
       bondedto (attr store1 < 78.028  and attr store1 > 77.228 ) or 
       bondedto (attr store1 < 30.3038908686  and attr store1 > 29.5038908686 ))) 
6 0.1 0.1 peak 1326 volume 12.00324 ppm1 1.077 ppm2 3.953
 
! ############### c13noe.1327 folded +
assi (attr store1 < 1.126 and attr store1 > 1.026 )
     ((attr store1 < 0.635 and attr store1 > 0.575 ) and 
      (bondedto (attr store1 < 125.751109131  and attr store1 > 124.951109131 ) or 
       bondedto (attr store1 < 78.027  and attr store1 > 77.227 ) or 
       bondedto (attr store1 < 30.3028908686  and attr store1 > 29.5028908686 ))) 
6 0.1 0.1 peak 1327 volume 12.66567 ppm1 0.605 ppm2 1.076
 
! ############### c13noe.1328 folded +
assi (attr store1 < 8.586 and attr store1 > 8.486 )
     ((attr store1 < 2.234 and attr store1 > 2.174 ) and 
      (bondedto (attr store1 < 125.702109131  and attr store1 > 124.902109131 ) or 
       bondedto (attr store1 < 77.978  and attr store1 > 77.178 ) or 
       bondedto (attr store1 < 30.2538908686  and attr store1 > 29.4538908686 ))) 
6 0.1 0.1 peak 1328 volume 17.59805 ppm1 2.204 ppm2 8.536
 
! ############### c13noe.1329 folded +
assi (attr store1 < 8.431 and attr store1 > 8.331 )
     ((attr store1 < 2.234 and attr store1 > 2.174 ) and 
      (bondedto (attr store1 < 125.644109131  and attr store1 > 124.844109131 ) or 
       bondedto (attr store1 < 77.92  and attr store1 > 77.12 ) or 
       bondedto (attr store1 < 30.1958908686  and attr store1 > 29.3958908686 ))) 
6 0.1 0.1 peak 1329 volume 14.60173 ppm1 2.204 ppm2 8.381
 
! ############### c13noe.1330 folded +
assi (attr store1 < 4.004 and attr store1 > 3.904 )
     ((attr store1 < 2.231 and attr store1 > 2.171 ) and 
      (bondedto (attr store1 < 125.683109131  and attr store1 > 124.883109131 ) or 
       bondedto (attr store1 < 77.959  and attr store1 > 77.159 ) or 
       bondedto (attr store1 < 30.2348908686  and attr store1 > 29.4348908686 ))) 
6 0.1 0.1 peak 1330 volume 20.06924 ppm1 2.201 ppm2 3.954
 
! ############### c13noe.1331 folded +
assi (attr store1 < 8.585 and attr store1 > 8.485 )
     ((attr store1 < 2.169 and attr store1 > 2.109 ) and 
      (bondedto (attr store1 < 125.691109131  and attr store1 > 124.891109131 ) or 
       bondedto (attr store1 < 77.967  and attr store1 > 77.167 ) or 
       bondedto (attr store1 < 30.2428908686  and attr store1 > 29.4428908686 ))) 
6 0.1 0.1 peak 1331 volume 22.28011 ppm1 2.139 ppm2 8.535
 
! ############### c13noe.1332 folded +
assi (attr store1 < 3.996 and attr store1 > 3.896 )
     ((attr store1 < 2.168 and attr store1 > 2.108 ) and 
      (bondedto (attr store1 < 125.677109131  and attr store1 > 124.877109131 ) or 
       bondedto (attr store1 < 77.953  and attr store1 > 77.153 ) or 
       bondedto (attr store1 < 30.2288908686  and attr store1 > 29.4288908686 ))) 
6 0.1 0.1 peak 1332 volume 19.51623 ppm1 2.138 ppm2 3.946
 
! ############### c13noe.1333 folded +
assi (attr store1 < 1.289 and attr store1 > 1.189 )
     ((attr store1 < 1.773 and attr store1 > 1.713 ) and 
      (bondedto (attr store1 < 125.657109131  and attr store1 > 124.857109131 ) or 
       bondedto (attr store1 < 77.933  and attr store1 > 77.133 ) or 
       bondedto (attr store1 < 30.2088908686  and attr store1 > 29.4088908686 ))) 
6 0.1 0.1 peak 1333 volume 44.84282 ppm1 1.743 ppm2 1.239
 
! ############### c13noe.1334 folded +
assi (attr store1 < 0.893 and attr store1 > 0.793 )
     ((attr store1 < 1.772 and attr store1 > 1.712 ) and 
      (bondedto (attr store1 < 125.646109131  and attr store1 > 124.846109131 ) or 
       bondedto (attr store1 < 77.922  and attr store1 > 77.122 ) or 
       bondedto (attr store1 < 30.1978908686  and attr store1 > 29.3978908686 ))) 
6 0.1 0.1 peak 1334 volume 46.94580 ppm1 1.742 ppm2 0.843
 
! ############### c13noe.1335 folded +
assi (attr store1 < 8.424 and attr store1 > 8.324 )
     ((attr store1 < 1.768 and attr store1 > 1.708 ) and 
      (bondedto (attr store1 < 125.677109131  and attr store1 > 124.877109131 ) or 
       bondedto (attr store1 < 77.953  and attr store1 > 77.153 ) or 
       bondedto (attr store1 < 30.2288908686  and attr store1 > 29.4288908686 ))) 
6 0.1 0.1 peak 1335 volume 22.11447 ppm1 1.738 ppm2 8.374
 
! ############### c13noe.1336 folded +
assi (attr store1 < 3.806 and attr store1 > 3.706 )
     ((attr store1 < 1.768 and attr store1 > 1.708 ) and 
      (bondedto (attr store1 < 125.710109131  and attr store1 > 124.910109131 ) or 
       bondedto (attr store1 < 77.986  and attr store1 > 77.186 ) or 
       bondedto (attr store1 < 30.2618908686  and attr store1 > 29.4618908686 ))) 
6 0.1 0.1 peak 1336 volume 11.82900 ppm1 1.738 ppm2 3.756
 
! ############### c13noe.1337 folded +
assi (attr store1 < 0.975 and attr store1 > 0.875 )
     ((attr store1 < 1.761 and attr store1 > 1.701 ) and 
      (bondedto (attr store1 < 125.709109131  and attr store1 > 124.909109131 ) or 
       bondedto (attr store1 < 77.985  and attr store1 > 77.185 ) or 
       bondedto (attr store1 < 30.2608908686  and attr store1 > 29.4608908686 ))) 
6 0.1 0.1 peak 1337 volume 58.97554 ppm1 1.731 ppm2 0.925
 
! ############### c13noe.1338 folded +
assi (attr store1 < 7.625 and attr store1 > 7.525 )
     ((attr store1 < 1.754 and attr store1 > 1.694 ) and 
      (bondedto (attr store1 < 125.689109131  and attr store1 > 124.889109131 ) or 
       bondedto (attr store1 < 77.965  and attr store1 > 77.165 ) or 
       bondedto (attr store1 < 30.2408908686  and attr store1 > 29.4408908686 ))) 
6 0.1 0.1 peak 1338 volume 7.24469 ppm1 1.724 ppm2 7.575
 
! ############### c13noe.1339 folded +
assi (attr store1 < 7.967 and attr store1 > 7.867 )
     ((attr store1 < 1.456 and attr store1 > 1.396 ) and 
      (bondedto (attr store1 < 125.706109131  and attr store1 > 124.906109131 ) or 
       bondedto (attr store1 < 77.982  and attr store1 > 77.182 ) or 
       bondedto (attr store1 < 30.2578908686  and attr store1 > 29.4578908686 ))) 
6 0.1 0.1 peak 1339 volume 8.73804 ppm1 1.426 ppm2 7.917
 
! ############### c13noe.1340 folded +
assi (attr store1 < 3.999 and attr store1 > 3.899 )
     ((attr store1 < 1.453 and attr store1 > 1.393 ) and 
      (bondedto (attr store1 < 125.713109131  and attr store1 > 124.913109131 ) or 
       bondedto (attr store1 < 77.989  and attr store1 > 77.189 ) or 
       bondedto (attr store1 < 30.2648908686  and attr store1 > 29.4648908686 ))) 
6 0.1 0.1 peak 1340 volume 15.50140 ppm1 1.423 ppm2 3.949
 
! ############### c13noe.1341 folded +
assi (attr store1 < 0.653 and attr store1 > 0.553 )
     ((attr store1 < 1.456 and attr store1 > 1.396 ) and 
      (bondedto (attr store1 < 125.717109131  and attr store1 > 124.917109131 ) or 
       bondedto (attr store1 < 77.993  and attr store1 > 77.193 ) or 
       bondedto (attr store1 < 30.2688908686  and attr store1 > 29.4688908686 ))) 
6 0.1 0.1 peak 1341 volume 27.64164 ppm1 1.426 ppm2 0.603
 
! ############### c13noe.1342 folded +
assi (attr store1 < 1.131 and attr store1 > 1.031 )
     ((attr store1 < 1.451 and attr store1 > 1.391 ) and 
      (bondedto (attr store1 < 125.730109131  and attr store1 > 124.930109131 ) or 
       bondedto (attr store1 < 78.006  and attr store1 > 77.206 ) or 
       bondedto (attr store1 < 30.2818908686  and attr store1 > 29.4818908686 ))) 
6 0.1 0.1 peak 1342 volume 67.72789 ppm1 1.421 ppm2 1.081
 
! ############### c13noe.1343 folded +
assi (attr store1 < 8.419 and attr store1 > 8.319 )
     ((attr store1 < 1.276 and attr store1 > 1.216 ) and 
      (bondedto (attr store1 < 125.688109131  and attr store1 > 124.888109131 ) or 
       bondedto (attr store1 < 77.964  and attr store1 > 77.164 ) or 
       bondedto (attr store1 < 30.2398908686  and attr store1 > 29.4398908686 ))) 
6 0.1 0.1 peak 1343 volume 10.12185 ppm1 1.246 ppm2 8.369
 
! ############### c13noe.1344 folded +
assi (attr store1 < 3.808 and attr store1 > 3.708 )
     ((attr store1 < 1.266 and attr store1 > 1.206 ) and 
      (bondedto (attr store1 < 125.649109131  and attr store1 > 124.849109131 ) or 
       bondedto (attr store1 < 77.925  and attr store1 > 77.125 ) or 
       bondedto (attr store1 < 30.2008908686  and attr store1 > 29.4008908686 ))) 
6 0.1 0.1 peak 1344 volume 11.19626 ppm1 1.236 ppm2 3.758
 
! ############### c13noe.1345 folded +
assi (attr store1 < 1.794 and attr store1 > 1.694 )
     ((attr store1 < 1.27 and attr store1 > 1.21 ) and 
      (bondedto (attr store1 < 125.649109131  and attr store1 > 124.849109131 ) or 
       bondedto (attr store1 < 77.925  and attr store1 > 77.125 ) or 
       bondedto (attr store1 < 30.2008908686  and attr store1 > 29.4008908686 ))) 
6 0.1 0.1 peak 1345 volume 46.55239 ppm1 1.240 ppm2 1.744
 
! ############### c13noe.1346 folded +
assi (attr store1 < 0.98 and attr store1 > 0.88 )
     ((attr store1 < 1.225 and attr store1 > 1.165 ) and 
      (bondedto (attr store1 < 125.654109131  and attr store1 > 124.854109131 ) or 
       bondedto (attr store1 < 77.93  and attr store1 > 77.13 ) or 
       bondedto (attr store1 < 30.2058908686  and attr store1 > 29.4058908686 ))) 
6 0.1 0.1 peak 1346 volume 15.49133 ppm1 1.195 ppm2 0.930
 
! ############### c13noe.1347 folded +
assi (attr store1 < 1.757 and attr store1 > 1.657 )
     ((attr store1 < 1.121 and attr store1 > 1.061 ) and 
      (bondedto (attr store1 < 125.674109131  and attr store1 > 124.874109131 ) or 
       bondedto (attr store1 < 77.95  and attr store1 > 77.15 ) or 
       bondedto (attr store1 < 30.2258908686  and attr store1 > 29.4258908686 ))) 
6 0.1 0.1 peak 1347 volume 8.13988 ppm1 1.091 ppm2 1.707
 
! ############### c13noe.1348 folded +
assi (attr store1 < 7.97 and attr store1 > 7.87 )
     ((attr store1 < 1.109 and attr store1 > 1.049 ) and 
      (bondedto (attr store1 < 125.703109131  and attr store1 > 124.903109131 ) or 
       bondedto (attr store1 < 77.979  and attr store1 > 77.179 ) or 
       bondedto (attr store1 < 30.2548908686  and attr store1 > 29.4548908686 ))) 
6 0.1 0.1 peak 1348 volume 8.43893 ppm1 1.079 ppm2 7.920
 
! ############### c13noe.1349 folded +
assi (attr store1 < 2.021 and attr store1 > 1.921 )
     ((attr store1 < 1.107 and attr store1 > 1.047 ) and 
      (bondedto (attr store1 < 125.712109131  and attr store1 > 124.912109131 ) or 
       bondedto (attr store1 < 77.988  and attr store1 > 77.188 ) or 
       bondedto (attr store1 < 30.2638908686  and attr store1 > 29.4638908686 ))) 
6 0.1 0.1 peak 1349 volume 14.39411 ppm1 1.077 ppm2 1.971
 
! ############### c13noe.1350 folded +
assi (attr store1 < 1.639 and attr store1 > 1.539 )
     ((attr store1 < 1.108 and attr store1 > 1.048 ) and 
      (bondedto (attr store1 < 125.677109131  and attr store1 > 124.877109131 ) or 
       bondedto (attr store1 < 77.953  and attr store1 > 77.153 ) or 
       bondedto (attr store1 < 30.2288908686  and attr store1 > 29.4288908686 ))) 
6 0.1 0.1 peak 1350 volume 13.52687 ppm1 1.078 ppm2 1.589
 
! ############### c13noe.1351 folded +
assi (attr store1 < 1.475 and attr store1 > 1.375 )
     ((attr store1 < 1.11 and attr store1 > 1.05 ) and 
      (bondedto (attr store1 < 125.729109131  and attr store1 > 124.929109131 ) or 
       bondedto (attr store1 < 78.005  and attr store1 > 77.205 ) or 
       bondedto (attr store1 < 30.2808908686  and attr store1 > 29.4808908686 ))) 
6 0.1 0.1 peak 1351 volume 70.16788 ppm1 1.080 ppm2 1.425
 
! ############### c13noe.1352 folded +
assi (attr store1 < 0.925 and attr store1 > 0.825 )
     ((attr store1 < 1.107 and attr store1 > 1.047 ) and 
      (bondedto (attr store1 < 125.677109131  and attr store1 > 124.877109131 ) or 
       bondedto (attr store1 < 77.953  and attr store1 > 77.153 ) or 
       bondedto (attr store1 < 30.2288908686  and attr store1 > 29.4288908686 ))) 
6 0.1 0.1 peak 1352 volume 29.09999 ppm1 1.077 ppm2 0.875
 
! ############### c13noe.1353 folded +
assi (attr store1 < 0.654 and attr store1 > 0.554 )
     ((attr store1 < 1.11 and attr store1 > 1.05 ) and 
      (bondedto (attr store1 < 125.710109131  and attr store1 > 124.910109131 ) or 
       bondedto (attr store1 < 77.986  and attr store1 > 77.186 ) or 
       bondedto (attr store1 < 30.2618908686  and attr store1 > 29.4618908686 ))) 
6 0.1 0.1 peak 1353 volume 26.70401 ppm1 1.080 ppm2 0.604
 
! ############### c13noe.1354 folded +
assi (attr store1 < 4.095 and attr store1 > 3.995 )
     ((attr store1 < 1.104 and attr store1 > 1.044 ) and 
      (bondedto (attr store1 < 125.697109131  and attr store1 > 124.897109131 ) or 
       bondedto (attr store1 < 77.973  and attr store1 > 77.173 ) or 
       bondedto (attr store1 < 30.2488908686  and attr store1 > 29.4488908686 ))) 
6 0.1 0.1 peak 1354 volume 7.62636 ppm1 1.074 ppm2 4.045
 
! ############### c13noe.1355 folded +
assi (attr store1 < 1.749 and attr store1 > 1.649 )
     ((attr store1 < 1.098 and attr store1 > 1.038 ) and 
      (bondedto (attr store1 < 125.686109131  and attr store1 > 124.886109131 ) or 
       bondedto (attr store1 < 77.962  and attr store1 > 77.162 ) or 
       bondedto (attr store1 < 30.2378908686  and attr store1 > 29.4378908686 ))) 
6 0.1 0.1 peak 1355 volume 8.31804 ppm1 1.068 ppm2 1.699
 
! ############### c13noe.1356 folded +
assi (attr store1 < 1.474 and attr store1 > 1.374 )
     ((attr store1 < 0.634 and attr store1 > 0.574 ) and 
      (bondedto (attr store1 < 125.732109131  and attr store1 > 124.932109131 ) or 
       bondedto (attr store1 < 78.008  and attr store1 > 77.208 ) or 
       bondedto (attr store1 < 30.2838908686  and attr store1 > 29.4838908686 ))) 
6 0.1 0.1 peak 1356 volume 12.34800 ppm1 0.604 ppm2 1.424
 
! ############### c13noe.1357 folded +
assi (attr store1 < 8.279 and attr store1 > 8.179 )
     ((attr store1 < 2.233 and attr store1 > 2.173 ) and 
      (bondedto (attr store1 < 125.561109131  and attr store1 > 124.761109131 ) or 
       bondedto (attr store1 < 77.837  and attr store1 > 77.037 ) or 
       bondedto (attr store1 < 30.1128908686  and attr store1 > 29.3128908686 ))) 
6 0.1 0.1 peak 1357 volume 26.74033 ppm1 2.203 ppm2 8.229
 
! ############### c13noe.1358 folded +
assi (attr store1 < 4.157 and attr store1 > 4.057 )
     ((attr store1 < 2.234 and attr store1 > 2.174 ) and 
      (bondedto (attr store1 < 125.579109131  and attr store1 > 124.779109131 ) or 
       bondedto (attr store1 < 77.855  and attr store1 > 77.055 ) or 
       bondedto (attr store1 < 30.1308908686  and attr store1 > 29.3308908686 ))) 
6 0.1 0.1 peak 1358 volume 44.40681 ppm1 2.204 ppm2 4.107
 
! ############### c13noe.1359 folded +
assi (attr store1 < 0.987 and attr store1 > 0.887 )
     ((attr store1 < 2.224 and attr store1 > 2.164 ) and 
      (bondedto (attr store1 < 125.569109131  and attr store1 > 124.769109131 ) or 
       bondedto (attr store1 < 77.845  and attr store1 > 77.045 ) or 
       bondedto (attr store1 < 30.1208908686  and attr store1 > 29.3208908686 ))) 
6 0.1 0.1 peak 1359 volume 17.76107 ppm1 2.194 ppm2 0.937
 
! ############### c13noe.1360 folded +
assi (attr store1 < 7.818 and attr store1 > 7.718 )
     ((attr store1 < 2.132 and attr store1 > 2.072 ) and 
      (bondedto (attr store1 < 125.552109131  and attr store1 > 124.752109131 ) or 
       bondedto (attr store1 < 77.828  and attr store1 > 77.028 ) or 
       bondedto (attr store1 < 30.1038908686  and attr store1 > 29.3038908686 ))) 
6 0.1 0.1 peak 1360 volume 10.41132 ppm1 2.102 ppm2 7.768
 
! ############### c13noe.1361 folded +
assi (attr store1 < 0.986 and attr store1 > 0.886 )
     ((attr store1 < 2.131 and attr store1 > 2.071 ) and 
      (bondedto (attr store1 < 125.597109131  and attr store1 > 124.797109131 ) or 
       bondedto (attr store1 < 77.873  and attr store1 > 77.073 ) or 
       bondedto (attr store1 < 30.1488908686  and attr store1 > 29.3488908686 ))) 
6 0.1 0.1 peak 1361 volume 19.74587 ppm1 2.101 ppm2 0.936
 
! ############### c13noe.1362 folded +
assi (attr store1 < 4.172 and attr store1 > 4.072 )
     ((attr store1 < 1.753 and attr store1 > 1.693 ) and 
      (bondedto (attr store1 < 125.589109131  and attr store1 > 124.789109131 ) or 
       bondedto (attr store1 < 77.865  and attr store1 > 77.065 ) or 
       bondedto (attr store1 < 30.1408908686  and attr store1 > 29.3408908686 ))) 
6 0.1 0.1 peak 1362 volume 25.34429 ppm1 1.723 ppm2 4.122
 
! ############### c13noe.1363 folded +
assi (attr store1 < 1.479 and attr store1 > 1.379 )
     ((attr store1 < 1.741 and attr store1 > 1.681 ) and 
      (bondedto (attr store1 < 125.569109131  and attr store1 > 124.769109131 ) or 
       bondedto (attr store1 < 77.845  and attr store1 > 77.045 ) or 
       bondedto (attr store1 < 30.1208908686  and attr store1 > 29.3208908686 ))) 
6 0.1 0.1 peak 1363 volume 142.78133 ppm1 1.711 ppm2 1.429
 
! ############### c13noe.1364 folded +
assi (attr store1 < 4.31 and attr store1 > 4.21 )
     ((attr store1 < 1.726 and attr store1 > 1.666 ) and 
      (bondedto (attr store1 < 125.551109131  and attr store1 > 124.751109131 ) or 
       bondedto (attr store1 < 77.827  and attr store1 > 77.027 ) or 
       bondedto (attr store1 < 30.1028908686  and attr store1 > 29.3028908686 ))) 
6 0.1 0.1 peak 1364 volume 16.93799 ppm1 1.696 ppm2 4.260
 
! ############### c13noe.1365 folded +
assi (attr store1 < 8.808 and attr store1 > 8.708 )
     ((attr store1 < 1.711 and attr store1 > 1.651 ) and 
      (bondedto (attr store1 < 125.590109131  and attr store1 > 124.790109131 ) or 
       bondedto (attr store1 < 77.866  and attr store1 > 77.066 ) or 
       bondedto (attr store1 < 30.1418908686  and attr store1 > 29.3418908686 ))) 
6 0.1 0.1 peak 1365 volume 16.62546 ppm1 1.681 ppm2 8.758
 
! ############### c13noe.1366 folded +
assi (attr store1 < 0.956 and attr store1 > 0.856 )
     ((attr store1 < 1.712 and attr store1 > 1.652 ) and 
      (bondedto (attr store1 < 125.586109131  and attr store1 > 124.786109131 ) or 
       bondedto (attr store1 < 77.862  and attr store1 > 77.062 ) or 
       bondedto (attr store1 < 30.1378908686  and attr store1 > 29.3378908686 ))) 
6 0.1 0.1 peak 1366 volume 94.16105 ppm1 1.682 ppm2 0.906
 
! ############### c13noe.1367 folded +
assi (attr store1 < 1.759 and attr store1 > 1.659 )
     ((attr store1 < 1.459 and attr store1 > 1.399 ) and 
      (bondedto (attr store1 < 125.575109131  and attr store1 > 124.775109131 ) or 
       bondedto (attr store1 < 77.851  and attr store1 > 77.051 ) or 
       bondedto (attr store1 < 30.1268908686  and attr store1 > 29.3268908686 ))) 
6 0.1 0.1 peak 1367 volume 46.42141 ppm1 1.429 ppm2 1.709
 
! ############### c13noe.1368 folded +
assi (attr store1 < 2.212 and attr store1 > 2.112 )
     ((attr store1 < 1.273 and attr store1 > 1.213 ) and 
      (bondedto (attr store1 < 125.568109131  and attr store1 > 124.768109131 ) or 
       bondedto (attr store1 < 77.844  and attr store1 > 77.044 ) or 
       bondedto (attr store1 < 30.1198908686  and attr store1 > 29.3198908686 ))) 
6 0.1 0.1 peak 1368 volume 9.66433 ppm1 1.243 ppm2 2.162
 
! ############### c13noe.1369 folded +
assi (attr store1 < 1.037 and attr store1 > 0.937 )
     ((attr store1 < 1.273 and attr store1 > 1.213 ) and 
      (bondedto (attr store1 < 125.624109131  and attr store1 > 124.824109131 ) or 
       bondedto (attr store1 < 77.9  and attr store1 > 77.1 ) or 
       bondedto (attr store1 < 30.1758908686  and attr store1 > 29.3758908686 ))) 
6 0.1 0.1 peak 1369 volume 24.11637 ppm1 1.243 ppm2 0.987
 
! ############### c13noe.1370 folded +
assi (attr store1 < 0.893 and attr store1 > 0.793 )
     ((attr store1 < 1.271 and attr store1 > 1.211 ) and 
      (bondedto (attr store1 < 125.620109131  and attr store1 > 124.820109131 ) or 
       bondedto (attr store1 < 77.896  and attr store1 > 77.096 ) or 
       bondedto (attr store1 < 30.1718908686  and attr store1 > 29.3718908686 ))) 
6 0.1 0.1 peak 1370 volume 35.58125 ppm1 1.241 ppm2 0.843
 
! ############### c13noe.1371 folded +
assi (attr store1 < 4.156 and attr store1 > 4.056 )
     ((attr store1 < 2.139 and attr store1 > 2.079 ) and 
      (bondedto (attr store1 < 125.533109131  and attr store1 > 124.733109131 ) or 
       bondedto (attr store1 < 77.809  and attr store1 > 77.009 ) or 
       bondedto (attr store1 < 30.0848908686  and attr store1 > 29.2848908686 ))) 
6 0.1 0.1 peak 1371 volume 38.37377 ppm1 2.109 ppm2 4.106
 
! ############### c13noe.1372 folded +
assi (attr store1 < 8.283 and attr store1 > 8.183 )
     ((attr store1 < 2.13 and attr store1 > 2.07 ) and 
      (bondedto (attr store1 < 125.522109131  and attr store1 > 124.722109131 ) or 
       bondedto (attr store1 < 77.798  and attr store1 > 76.998 ) or 
       bondedto (attr store1 < 30.0738908686  and attr store1 > 29.2738908686 ))) 
6 0.1 0.1 peak 1372 volume 21.36455 ppm1 2.100 ppm2 8.233
 
! ############### c13noe.1373 folded +
assi (attr store1 < 0.978 and attr store1 > 0.878 )
     ((attr store1 < 1.881 and attr store1 > 1.821 ) and 
      (bondedto (attr store1 < 125.527109131  and attr store1 > 124.727109131 ) or 
       bondedto (attr store1 < 77.803  and attr store1 > 77.003 ) or 
       bondedto (attr store1 < 30.0788908686  and attr store1 > 29.2788908686 ))) 
6 0.1 0.1 peak 1373 volume 11.79177 ppm1 1.851 ppm2 0.928
 
! ############### c13noe.1374 folded +
assi (attr store1 < 3.092 and attr store1 > 2.992 )
     ((attr store1 < 1.806 and attr store1 > 1.746 ) and 
      (bondedto (attr store1 < 125.472109131  and attr store1 > 124.672109131 ) or 
       bondedto (attr store1 < 77.748  and attr store1 > 76.948 ) or 
       bondedto (attr store1 < 30.0238908686  and attr store1 > 29.2238908686 ))) 
6 0.1 0.1 peak 1374 volume 82.22762 ppm1 1.776 ppm2 3.042
 
! ############### c13noe.1375 folded +
assi (attr store1 < 4.07 and attr store1 > 3.97 )
     ((attr store1 < 1.749 and attr store1 > 1.689 ) and 
      (bondedto (attr store1 < 125.499109131  and attr store1 > 124.699109131 ) or 
       bondedto (attr store1 < 77.775  and attr store1 > 76.975 ) or 
       bondedto (attr store1 < 30.0508908686  and attr store1 > 29.2508908686 ))) 
6 0.1 0.1 peak 1375 volume 21.98324 ppm1 1.719 ppm2 4.020
 
! ############### c13noe.1376 folded +
assi (attr store1 < 3.005 and attr store1 > 2.905 )
     ((attr store1 < 1.744 and attr store1 > 1.684 ) and 
      (bondedto (attr store1 < 125.508109131  and attr store1 > 124.708109131 ) or 
       bondedto (attr store1 < 77.784  and attr store1 > 76.984 ) or 
       bondedto (attr store1 < 30.0598908686  and attr store1 > 29.2598908686 ))) 
6 0.1 0.1 peak 1376 volume 122.48210 ppm1 1.714 ppm2 2.955
 
! ############### c13noe.1377 folded +
assi (attr store1 < 7.859 and attr store1 > 7.759 )
     ((attr store1 < 1.742 and attr store1 > 1.682 ) and 
      (bondedto (attr store1 < 125.473109131  and attr store1 > 124.673109131 ) or 
       bondedto (attr store1 < 77.749  and attr store1 > 76.949 ) or 
       bondedto (attr store1 < 30.0248908686  and attr store1 > 29.2248908686 ))) 
6 0.1 0.1 peak 1377 volume 17.59066 ppm1 1.712 ppm2 7.809
 
! ############### c13noe.1378 folded +
assi (attr store1 < 7.972 and attr store1 > 7.872 )
     ((attr store1 < 1.722 and attr store1 > 1.662 ) and 
      (bondedto (attr store1 < 125.484109131  and attr store1 > 124.684109131 ) or 
       bondedto (attr store1 < 77.76  and attr store1 > 76.96 ) or 
       bondedto (attr store1 < 30.0358908686  and attr store1 > 29.2358908686 ))) 
6 0.1 0.1 peak 1378 volume 9.02992 ppm1 1.692 ppm2 7.922
 
! ############### c13noe.1379 folded +
assi (attr store1 < 8.421 and attr store1 > 8.321 )
     ((attr store1 < 1.719 and attr store1 > 1.659 ) and 
      (bondedto (attr store1 < 125.513109131  and attr store1 > 124.713109131 ) or 
       bondedto (attr store1 < 77.789  and attr store1 > 76.989 ) or 
       bondedto (attr store1 < 30.0648908686  and attr store1 > 29.2648908686 ))) 
6 0.1 0.1 peak 1379 volume 7.18310 ppm1 1.689 ppm2 8.371
 
! ############### c13noe.1380 folded +
assi (attr store1 < 3.99 and attr store1 > 3.89 )
     ((attr store1 < 1.712 and attr store1 > 1.652 ) and 
      (bondedto (attr store1 < 125.545109131  and attr store1 > 124.745109131 ) or 
       bondedto (attr store1 < 77.821  and attr store1 > 77.021 ) or 
       bondedto (attr store1 < 30.0968908686  and attr store1 > 29.2968908686 ))) 
6 0.1 0.1 peak 1380 volume 19.70869 ppm1 1.682 ppm2 3.940
 
! ############### c13noe.1381 folded +
assi (attr store1 < 3.848 and attr store1 > 3.748 )
     ((attr store1 < 1.712 and attr store1 > 1.652 ) and 
      (bondedto (attr store1 < 125.531109131  and attr store1 > 124.731109131 ) or 
       bondedto (attr store1 < 77.807  and attr store1 > 77.007 ) or 
       bondedto (attr store1 < 30.0828908686  and attr store1 > 29.2828908686 ))) 
6 0.1 0.1 peak 1381 volume 12.84051 ppm1 1.682 ppm2 3.798
 
! ############### c13noe.1382 folded +
assi (attr store1 < 1.5 and attr store1 > 1.4 )
     ((attr store1 < 1.238 and attr store1 > 1.178 ) and 
      (bondedto (attr store1 < 125.530109131  and attr store1 > 124.730109131 ) or 
       bondedto (attr store1 < 77.806  and attr store1 > 77.006 ) or 
       bondedto (attr store1 < 30.0818908686  and attr store1 > 29.2818908686 ))) 
6 0.1 0.1 peak 1382 volume 10.05148 ppm1 1.208 ppm2 1.450
 
! ############### c13noe.1383 folded +
assi (attr store1 < 0.85 and attr store1 > 0.75 )
     ((attr store1 < 0.523 and attr store1 > 0.463 ) and 
      (bondedto (attr store1 < 125.528109131  and attr store1 > 124.728109131 ) or 
       bondedto (attr store1 < 77.804  and attr store1 > 77.004 ) or 
       bondedto (attr store1 < 30.0798908686  and attr store1 > 29.2798908686 ))) 
6 0.1 0.1 peak 1383 volume 7.16096 ppm1 0.493 ppm2 0.800
 
! ############### c13noe.1384 folded -
assi (attr store1 < 3.826 and attr store1 > 3.726 )
     ((attr store1 < 3.894 and attr store1 > 3.834 ) and 
      (bondedto (attr store1 < 101.635054566  and attr store1 > 100.835054566 ) or 
       bondedto (attr store1 < 149.359163697  and attr store1 > 148.559163697) or 
       bondedto (attr store1 < 53.9109454343  and attr store1 > 53.1109454343 ))) 
6 0.1 0.1 peak 1384 volume 32.8629 ppm1 3.864 ppm2 3.776
 
! ############### c13noe.1385 folded -
assi (attr store1 < 3.911 and attr store1 > 3.811 )
     ((attr store1 < 3.806 and attr store1 > 3.746 ) and 
      (bondedto (attr store1 < 101.637054566  and attr store1 > 100.837054566 ) or 
       bondedto (attr store1 < 149.361163697  and attr store1 > 148.561163697) or 
       bondedto (attr store1 < 53.9129454343  and attr store1 > 53.1129454343 ))) 
6 0.1 0.1 peak 1385 volume 29.5481 ppm1 3.776 ppm2 3.861
 
! ############### c13noe.1386 folded +
assi (attr store1 < 2.278 and attr store1 > 2.178 )
     ((attr store1 < 2.514 and attr store1 > 2.454 ) and 
      (bondedto (attr store1 < 125.413109131  and attr store1 > 124.613109131 ) or 
       bondedto (attr store1 < 77.689  and attr store1 > 76.889 ) or 
       bondedto (attr store1 < 29.9648908686  and attr store1 > 29.1648908686 ))) 
6 0.1 0.1 peak 1386 volume 30.81333 ppm1 2.484 ppm2 2.228
 
! ############### c13noe.1387 folded +
assi (attr store1 < 2.139 and attr store1 > 2.039 )
     ((attr store1 < 2.498 and attr store1 > 2.438 ) and 
      (bondedto (attr store1 < 125.402109131  and attr store1 > 124.602109131 ) or 
       bondedto (attr store1 < 77.678  and attr store1 > 76.878 ) or 
       bondedto (attr store1 < 29.9538908686  and attr store1 > 29.1538908686 ))) 
6 0.1 0.1 peak 1387 volume 27.52888 ppm1 2.468 ppm2 2.089
 
! ############### c13noe.1388 folded +
assi (attr store1 < 8.42 and attr store1 > 8.32 )
     ((attr store1 < 2.321 and attr store1 > 2.261 ) and 
      (bondedto (attr store1 < 125.410109131  and attr store1 > 124.610109131 ) or 
       bondedto (attr store1 < 77.686  and attr store1 > 76.886 ) or 
       bondedto (attr store1 < 29.9618908686  and attr store1 > 29.1618908686 ))) 
6 0.1 0.1 peak 1388 volume 7.75498 ppm1 2.291 ppm2 8.370
 
! ############### c13noe.1389 folded +
assi (attr store1 < 8.846 and attr store1 > 8.746 )
     ((attr store1 < 2.319 and attr store1 > 2.259 ) and 
      (bondedto (attr store1 < 125.380109131  and attr store1 > 124.580109131 ) or 
       bondedto (attr store1 < 77.656  and attr store1 > 76.856 ) or 
       bondedto (attr store1 < 29.9318908686  and attr store1 > 29.1318908686 ))) 
6 0.1 0.1 peak 1389 volume 13.86930 ppm1 2.289 ppm2 8.796
 
! ############### c13noe.1390 folded +
assi (attr store1 < 4.192 and attr store1 > 4.092 )
     ((attr store1 < 2.318 and attr store1 > 2.258 ) and 
      (bondedto (attr store1 < 125.399109131  and attr store1 > 124.599109131 ) or 
       bondedto (attr store1 < 77.675  and attr store1 > 76.875 ) or 
       bondedto (attr store1 < 29.9508908686  and attr store1 > 29.1508908686 ))) 
6 0.1 0.1 peak 1390 volume 15.03156 ppm1 2.288 ppm2 4.142
 
! ############### c13noe.1391 folded +
assi (attr store1 < 7.643 and attr store1 > 7.543 )
     ((attr store1 < 2.255 and attr store1 > 2.195 ) and 
      (bondedto (attr store1 < 125.446109131  and attr store1 > 124.646109131 ) or 
       bondedto (attr store1 < 77.722  and attr store1 > 76.922 ) or 
       bondedto (attr store1 < 29.9978908686  and attr store1 > 29.1978908686 ))) 
6 0.1 0.1 peak 1391 volume 18.80715 ppm1 2.225 ppm2 7.593
 
! ############### c13noe.1392 folded +
assi (attr store1 < 7.346 and attr store1 > 7.246 )
     ((attr store1 < 2.257 and attr store1 > 2.197 ) and 
      (bondedto (attr store1 < 125.448109131  and attr store1 > 124.648109131 ) or 
       bondedto (attr store1 < 77.724  and attr store1 > 76.924 ) or 
       bondedto (attr store1 < 29.9998908686  and attr store1 > 29.1998908686 ))) 
6 0.1 0.1 peak 1392 volume 7.67475 ppm1 2.227 ppm2 7.296
 
! ############### c13noe.1393 folded +
assi (attr store1 < 4.47 and attr store1 > 4.37 )
     ((attr store1 < 2.257 and attr store1 > 2.197 ) and 
      (bondedto (attr store1 < 125.382109131  and attr store1 > 124.582109131 ) or 
       bondedto (attr store1 < 77.658  and attr store1 > 76.858 ) or 
       bondedto (attr store1 < 29.9338908686  and attr store1 > 29.1338908686 ))) 
6 0.1 0.1 peak 1393 volume 46.42043 ppm1 2.227 ppm2 4.420
 
! ############### c13noe.1394 folded +
assi (attr store1 < 1.087 and attr store1 > 0.987 )
     ((attr store1 < 2.24 and attr store1 > 2.18 ) and 
      (bondedto (attr store1 < 125.427109131  and attr store1 > 124.627109131 ) or 
       bondedto (attr store1 < 77.703  and attr store1 > 76.903 ) or 
       bondedto (attr store1 < 29.9788908686  and attr store1 > 29.1788908686 ))) 
6 0.1 0.1 peak 1394 volume 7.29036 ppm1 2.210 ppm2 1.037
 
! ############### c13noe.1395 folded +
assi (attr store1 < 7.343 and attr store1 > 7.243 )
     ((attr store1 < 2.227 and attr store1 > 2.167 ) and 
      (bondedto (attr store1 < 125.441109131  and attr store1 > 124.641109131 ) or 
       bondedto (attr store1 < 77.717  and attr store1 > 76.917 ) or 
       bondedto (attr store1 < 29.9928908686  and attr store1 > 29.1928908686 ))) 
6 0.1 0.1 peak 1395 volume 8.23615 ppm1 2.197 ppm2 7.293
 
! ############### c13noe.1396 folded +
assi (attr store1 < 7.639 and attr store1 > 7.539 )
     ((attr store1 < 2.216 and attr store1 > 2.156 ) and 
      (bondedto (attr store1 < 125.425109131  and attr store1 > 124.625109131 ) or 
       bondedto (attr store1 < 77.701  and attr store1 > 76.901 ) or 
       bondedto (attr store1 < 29.9768908686  and attr store1 > 29.1768908686 ))) 
6 0.1 0.1 peak 1396 volume 23.39457 ppm1 2.186 ppm2 7.589
 
! ############### c13noe.1397 folded +
assi (attr store1 < 1.087 and attr store1 > 0.987 )
     ((attr store1 < 2.204 and attr store1 > 2.144 ) and 
      (bondedto (attr store1 < 125.385109131  and attr store1 > 124.585109131 ) or 
       bondedto (attr store1 < 77.661  and attr store1 > 76.861 ) or 
       bondedto (attr store1 < 29.9368908686  and attr store1 > 29.1368908686 ))) 
6 0.1 0.1 peak 1397 volume 7.78275 ppm1 2.174 ppm2 1.037
 
! ############### c13noe.1398 folded +
assi (attr store1 < 8.847 and attr store1 > 8.747 )
     ((attr store1 < 2.181 and attr store1 > 2.121 ) and 
      (bondedto (attr store1 < 125.400109131  and attr store1 > 124.600109131 ) or 
       bondedto (attr store1 < 77.676  and attr store1 > 76.876 ) or 
       bondedto (attr store1 < 29.9518908686  and attr store1 > 29.1518908686 ))) 
6 0.1 0.1 peak 1398 volume 15.88181 ppm1 2.151 ppm2 8.797
 
! ############### c13noe.1399 folded +
assi (attr store1 < 4.733 and attr store1 > 4.633 )
     ((attr store1 < 2.122 and attr store1 > 2.062 ) and 
      (bondedto (attr store1 < 125.448109131  and attr store1 > 124.648109131 ) or 
       bondedto (attr store1 < 77.724  and attr store1 > 76.924 ) or 
       bondedto (attr store1 < 29.9998908686  and attr store1 > 29.1998908686 ))) 
6 0.1 0.1 peak 1399 volume 12.15312 ppm1 2.092 ppm2 4.683
 
! ############### c13noe.1400 folded +
assi (attr store1 < 4.469 and attr store1 > 4.369 )
     ((attr store1 < 2.125 and attr store1 > 2.065 ) and 
      (bondedto (attr store1 < 125.391109131  and attr store1 > 124.591109131 ) or 
       bondedto (attr store1 < 77.667  and attr store1 > 76.867 ) or 
       bondedto (attr store1 < 29.9428908686  and attr store1 > 29.1428908686 ))) 
6 0.1 0.1 peak 1400 volume 35.13330 ppm1 2.095 ppm2 4.419
 
! ############### c13noe.1401 folded +
assi (attr store1 < 8.155 and attr store1 > 8.055 )
     ((attr store1 < 1.81 and attr store1 > 1.75 ) and 
      (bondedto (attr store1 < 125.452109131  and attr store1 > 124.652109131 ) or 
       bondedto (attr store1 < 77.728  and attr store1 > 76.928 ) or 
       bondedto (attr store1 < 30.0038908686  and attr store1 > 29.2038908686 ))) 
6 0.1 0.1 peak 1401 volume 8.07918 ppm1 1.780 ppm2 8.105
 
! ############### c13noe.1402 folded +
assi (attr store1 < 4.31 and attr store1 > 4.21 )
     ((attr store1 < 1.806 and attr store1 > 1.746 ) and 
      (bondedto (attr store1 < 125.449109131  and attr store1 > 124.649109131 ) or 
       bondedto (attr store1 < 77.725  and attr store1 > 76.925 ) or 
       bondedto (attr store1 < 30.0008908686  and attr store1 > 29.2008908686 ))) 
6 0.1 0.1 peak 1402 volume 15.01204 ppm1 1.776 ppm2 4.260
 
! ############### c13noe.1403 folded +
assi (attr store1 < 4.16 and attr store1 > 4.06 )
     ((attr store1 < 1.808 and attr store1 > 1.748 ) and 
      (bondedto (attr store1 < 125.432109131  and attr store1 > 124.632109131 ) or 
       bondedto (attr store1 < 77.708  and attr store1 > 76.908 ) or 
       bondedto (attr store1 < 29.9838908686  and attr store1 > 29.1838908686 ))) 
6 0.1 0.1 peak 1403 volume 7.62908 ppm1 1.778 ppm2 4.110
 
! ############### c13noe.1404 folded +
assi (attr store1 < 1.586 and attr store1 > 1.486 )
     ((attr store1 < 1.807 and attr store1 > 1.747 ) and 
      (bondedto (attr store1 < 125.444109131  and attr store1 > 124.644109131 ) or 
       bondedto (attr store1 < 77.72  and attr store1 > 76.92 ) or 
       bondedto (attr store1 < 29.9958908686  and attr store1 > 29.1958908686 ))) 
6 0.1 0.1 peak 1404 volume 69.92013 ppm1 1.777 ppm2 1.536
 
! ############### c13noe.1405 folded +
assi (attr store1 < 4.04 and attr store1 > 3.94 )
     ((attr store1 < 1.802 and attr store1 > 1.742 ) and 
      (bondedto (attr store1 < 125.445109131  and attr store1 > 124.645109131 ) or 
       bondedto (attr store1 < 77.721  and attr store1 > 76.921 ) or 
       bondedto (attr store1 < 29.9968908686  and attr store1 > 29.1968908686 ))) 
6 0.1 0.1 peak 1405 volume 13.38244 ppm1 1.772 ppm2 3.990
 
! ############### c13noe.1406 folded +
assi (attr store1 < 4.397 and attr store1 > 4.297 )
     ((attr store1 < 1.733 and attr store1 > 1.673 ) and 
      (bondedto (attr store1 < 125.440109131  and attr store1 > 124.640109131 ) or 
       bondedto (attr store1 < 77.716  and attr store1 > 76.916 ) or 
       bondedto (attr store1 < 29.9918908686  and attr store1 > 29.1918908686 ))) 
6 0.1 0.1 peak 1406 volume 20.99973 ppm1 1.703 ppm2 4.347
 
! ############### c13noe.1407 folded +
assi (attr store1 < 1.538 and attr store1 > 1.438 )
     ((attr store1 < 1.722 and attr store1 > 1.662 ) and 
      (bondedto (attr store1 < 125.429109131  and attr store1 > 124.629109131 ) or 
       bondedto (attr store1 < 77.705  and attr store1 > 76.905 ) or 
       bondedto (attr store1 < 29.9808908686  and attr store1 > 29.1808908686 ))) 
6 0.1 0.1 peak 1407 volume 133.58557 ppm1 1.692 ppm2 1.488
 
! ############### c13noe.1408 folded +
assi (attr store1 < 7.875 and attr store1 > 7.775 )
     ((attr store1 < 1.704 and attr store1 > 1.644 ) and 
      (bondedto (attr store1 < 125.398109131  and attr store1 > 124.598109131 ) or 
       bondedto (attr store1 < 77.674  and attr store1 > 76.874 ) or 
       bondedto (attr store1 < 29.9498908686  and attr store1 > 29.1498908686 ))) 
6 0.1 0.1 peak 1408 volume 13.95914 ppm1 1.674 ppm2 7.825
 
! ############### c13noe.1409 folded +
assi (attr store1 < 1.815 and attr store1 > 1.715 )
     ((attr store1 < 1.566 and attr store1 > 1.506 ) and 
      (bondedto (attr store1 < 125.452109131  and attr store1 > 124.652109131 ) or 
       bondedto (attr store1 < 77.728  and attr store1 > 76.928 ) or 
       bondedto (attr store1 < 30.0038908686  and attr store1 > 29.2038908686 ))) 
6 0.1 0.1 peak 1409 volume 31.48149 ppm1 1.536 ppm2 1.765
 
! ############### c13noe.1410 folded +
assi (attr store1 < 1.255 and attr store1 > 1.155 )
     ((attr store1 < 1.484 and attr store1 > 1.424 ) and 
      (bondedto (attr store1 < 125.370109131  and attr store1 > 124.570109131 ) or 
       bondedto (attr store1 < 77.646  and attr store1 > 76.846 ) or 
       bondedto (attr store1 < 29.9218908686  and attr store1 > 29.1218908686 ))) 
6 0.1 0.1 peak 1410 volume 13.26387 ppm1 1.454 ppm2 1.205
 
! ############### c13noe.1411 folded -
assi (attr store1 < 3.885 and attr store1 > 3.785 )
     ((attr store1 < 3.701 and attr store1 > 3.641 ) and 
      (bondedto (attr store1 < 101.532054566  and attr store1 > 100.732054566 ) or 
       bondedto (attr store1 < 149.256163697  and attr store1 > 148.456163697) or 
       bondedto (attr store1 < 53.8079454343  and attr store1 > 53.0079454343 ))) 
6 0.1 0.1 peak 1411 volume 22.51541 ppm1 3.671 ppm2 3.835
 
! ############### c13noe.1412 folded +
assi (attr store1 < 8.069 and attr store1 > 7.969 )
     ((attr store1 < 2.397 and attr store1 > 2.337 ) and 
      (bondedto (attr store1 < 125.298109131  and attr store1 > 124.498109131 ) or 
       bondedto (attr store1 < 77.574  and attr store1 > 76.774 ) or 
       bondedto (attr store1 < 29.8498908686  and attr store1 > 29.0498908686 ))) 
6 0.1 0.1 peak 1412 volume 12.19942 ppm1 2.367 ppm2 8.019
 
! ############### c13noe.1413 folded +
assi (attr store1 < 4.062 and attr store1 > 3.962 )
     ((attr store1 < 2.396 and attr store1 > 2.336 ) and 
      (bondedto (attr store1 < 125.319109131  and attr store1 > 124.519109131 ) or 
       bondedto (attr store1 < 77.595  and attr store1 > 76.795 ) or 
       bondedto (attr store1 < 29.8708908686  and attr store1 > 29.0708908686 ))) 
6 0.1 0.1 peak 1413 volume 11.48783 ppm1 2.366 ppm2 4.012
 
! ############### c13noe.1414 folded +
assi (attr store1 < 8.167 and attr store1 > 8.067 )
     ((attr store1 < 2.257 and attr store1 > 2.197 ) and 
      (bondedto (attr store1 < 125.352109131  and attr store1 > 124.552109131 ) or 
       bondedto (attr store1 < 77.628  and attr store1 > 76.828 ) or 
       bondedto (attr store1 < 29.9038908686  and attr store1 > 29.1038908686 ))) 
6 0.1 0.1 peak 1414 volume 12.44531 ppm1 2.227 ppm2 8.117
 
! ############### c13noe.1415 folded +
assi (attr store1 < 4.388 and attr store1 > 4.288 )
     ((attr store1 < 2.213 and attr store1 > 2.153 ) and 
      (bondedto (attr store1 < 125.288109131  and attr store1 > 124.488109131 ) or 
       bondedto (attr store1 < 77.564  and attr store1 > 76.764 ) or 
       bondedto (attr store1 < 29.8398908686  and attr store1 > 29.0398908686 ))) 
6 0.1 0.1 peak 1415 volume 16.57751 ppm1 2.183 ppm2 4.338
 
! ############### c13noe.1416 folded +
assi (attr store1 < 1.616 and attr store1 > 1.516 )
     ((attr store1 < 2.203 and attr store1 > 2.143 ) and 
      (bondedto (attr store1 < 125.312109131  and attr store1 > 124.512109131 ) or 
       bondedto (attr store1 < 77.588  and attr store1 > 76.788 ) or 
       bondedto (attr store1 < 29.8638908686  and attr store1 > 29.0638908686 ))) 
6 0.1 0.1 peak 1416 volume 13.36980 ppm1 2.173 ppm2 1.566
 
! ############### c13noe.1417 folded +
assi (attr store1 < 8.411 and attr store1 > 8.311 )
     ((attr store1 < 2.174 and attr store1 > 2.114 ) and 
      (bondedto (attr store1 < 125.269109131  and attr store1 > 124.469109131 ) or 
       bondedto (attr store1 < 77.545  and attr store1 > 76.745 ) or 
       bondedto (attr store1 < 29.8208908686  and attr store1 > 29.0208908686 ))) 
6 0.1 0.1 peak 1417 volume 27.67102 ppm1 2.144 ppm2 8.361
 
! ############### c13noe.1418 folded +
assi (attr store1 < 4.334 and attr store1 > 4.234 )
     ((attr store1 < 2.172 and attr store1 > 2.112 ) and 
      (bondedto (attr store1 < 125.291109131  and attr store1 > 124.491109131 ) or 
       bondedto (attr store1 < 77.567  and attr store1 > 76.767 ) or 
       bondedto (attr store1 < 29.8428908686  and attr store1 > 29.0428908686 ))) 
6 0.1 0.1 peak 1418 volume 18.34466 ppm1 2.142 ppm2 4.284
 
! ############### c13noe.1419 folded +
assi (attr store1 < 4.124 and attr store1 > 4.024 )
     ((attr store1 < 2.171 and attr store1 > 2.111 ) and 
      (bondedto (attr store1 < 125.280109131  and attr store1 > 124.480109131 ) or 
       bondedto (attr store1 < 77.556  and attr store1 > 76.756 ) or 
       bondedto (attr store1 < 29.8318908686  and attr store1 > 29.0318908686 ))) 
6 0.1 0.1 peak 1419 volume 31.85785 ppm1 2.141 ppm2 4.074
 
! ############### c13noe.1420 folded +
assi (attr store1 < 8.17 and attr store1 > 8.07 )
     ((attr store1 < 2.116 and attr store1 > 2.056 ) and 
      (bondedto (attr store1 < 125.335109131  and attr store1 > 124.535109131 ) or 
       bondedto (attr store1 < 77.611  and attr store1 > 76.811 ) or 
       bondedto (attr store1 < 29.8868908686  and attr store1 > 29.0868908686 ))) 
6 0.1 0.1 peak 1420 volume 19.46104 ppm1 2.086 ppm2 8.120
 
! ############### c13noe.1421 folded +
assi (attr store1 < 2.774 and attr store1 > 2.674 )
     ((attr store1 < 2.109 and attr store1 > 2.049 ) and 
      (bondedto (attr store1 < 125.319109131  and attr store1 > 124.519109131 ) or 
       bondedto (attr store1 < 77.595  and attr store1 > 76.795 ) or 
       bondedto (attr store1 < 29.8708908686  and attr store1 > 29.0708908686 ))) 
6 0.1 0.1 peak 1421 volume 13.44601 ppm1 2.079 ppm2 2.724
 
! ############### c13noe.1422 folded +
assi (attr store1 < 8.283 and attr store1 > 8.183 )
     ((attr store1 < 1.991 and attr store1 > 1.931 ) and 
      (bondedto (attr store1 < 125.313109131  and attr store1 > 124.513109131 ) or 
       bondedto (attr store1 < 77.589  and attr store1 > 76.789 ) or 
       bondedto (attr store1 < 29.8648908686  and attr store1 > 29.0648908686 ))) 
6 0.1 0.1 peak 1422 volume 17.32061 ppm1 1.961 ppm2 8.233
 
! ############### c13noe.1423 folded +
assi (attr store1 < 8.771 and attr store1 > 8.671 )
     ((attr store1 < 1.989 and attr store1 > 1.929 ) and 
      (bondedto (attr store1 < 125.295109131  and attr store1 > 124.495109131 ) or 
       bondedto (attr store1 < 77.571  and attr store1 > 76.771 ) or 
       bondedto (attr store1 < 29.8468908686  and attr store1 > 29.0468908686 ))) 
6 0.1 0.1 peak 1423 volume 23.55029 ppm1 1.959 ppm2 8.721
 
! ############### c13noe.1424 folded +
assi (attr store1 < 4.258 and attr store1 > 4.158 )
     ((attr store1 < 1.986 and attr store1 > 1.926 ) and 
      (bondedto (attr store1 < 125.293109131  and attr store1 > 124.493109131 ) or 
       bondedto (attr store1 < 77.569  and attr store1 > 76.769 ) or 
       bondedto (attr store1 < 29.8448908686  and attr store1 > 29.0448908686 ))) 
6 0.1 0.1 peak 1424 volume 32.01982 ppm1 1.956 ppm2 4.208
 
! ############### c13noe.1425 folded +
assi (attr store1 < 3.366 and attr store1 > 3.266 )
     ((attr store1 < 1.99 and attr store1 > 1.93 ) and 
      (bondedto (attr store1 < 125.292109131  and attr store1 > 124.492109131 ) or 
       bondedto (attr store1 < 77.568  and attr store1 > 76.768 ) or 
       bondedto (attr store1 < 29.8438908686  and attr store1 > 29.0438908686 ))) 
6 0.1 0.1 peak 1425 volume 12.62327 ppm1 1.960 ppm2 3.316
 
! ############### c13noe.1426 folded +
assi (attr store1 < 3.304 and attr store1 > 3.204 )
     ((attr store1 < 1.989 and attr store1 > 1.929 ) and 
      (bondedto (attr store1 < 125.280109131  and attr store1 > 124.480109131 ) or 
       bondedto (attr store1 < 77.556  and attr store1 > 76.756 ) or 
       bondedto (attr store1 < 29.8318908686  and attr store1 > 29.0318908686 ))) 
6 0.1 0.1 peak 1426 volume 13.10850 ppm1 1.959 ppm2 3.254
 
! ############### c13noe.1427 folded +
assi (attr store1 < 4.239 and attr store1 > 4.139 )
     ((attr store1 < 1.675 and attr store1 > 1.615 ) and 
      (bondedto (attr store1 < 125.318109131  and attr store1 > 124.518109131 ) or 
       bondedto (attr store1 < 77.594  and attr store1 > 76.794 ) or 
       bondedto (attr store1 < 29.8698908686  and attr store1 > 29.0698908686 ))) 
6 0.1 0.1 peak 1427 volume 22.65615 ppm1 1.645 ppm2 4.189
 
! ############### c13noe.1428 folded +
assi (attr store1 < 3.047 and attr store1 > 2.947 )
     ((attr store1 < 1.668 and attr store1 > 1.608 ) and 
      (bondedto (attr store1 < 125.313109131  and attr store1 > 124.513109131 ) or 
       bondedto (attr store1 < 77.589  and attr store1 > 76.789 ) or 
       bondedto (attr store1 < 29.8648908686  and attr store1 > 29.0648908686 ))) 
6 0.1 0.1 peak 1428 volume 47.94388 ppm1 1.638 ppm2 2.997
 
! ############### c13noe.1429 folded +
assi (attr store1 < 1.354 and attr store1 > 1.254 )
     ((attr store1 < 1.668 and attr store1 > 1.608 ) and 
      (bondedto (attr store1 < 125.305109131  and attr store1 > 124.505109131 ) or 
       bondedto (attr store1 < 77.581  and attr store1 > 76.781 ) or 
       bondedto (attr store1 < 29.8568908686  and attr store1 > 29.0568908686 ))) 
6 0.1 0.1 peak 1429 volume 19.56275 ppm1 1.638 ppm2 1.304
 
! ############### c13noe.1430 folded +
assi (attr store1 < 2.773 and attr store1 > 2.673 )
     ((attr store1 < 2.403 and attr store1 > 2.343 ) and 
      (bondedto (attr store1 < 125.250109131  and attr store1 > 124.450109131 ) or 
       bondedto (attr store1 < 77.526  and attr store1 > 76.726 ) or 
       bondedto (attr store1 < 29.8018908686  and attr store1 > 29.0018908686 ))) 
6 0.1 0.1 peak 1430 volume 10.00388 ppm1 2.373 ppm2 2.723
 
! ############### c13noe.1431 folded +
assi (attr store1 < 1.013 and attr store1 > 0.913 )
     ((attr store1 < 2.346 and attr store1 > 2.286 ) and 
      (bondedto (attr store1 < 125.202109131  and attr store1 > 124.402109131 ) or 
       bondedto (attr store1 < 77.478  and attr store1 > 76.678 ) or 
       bondedto (attr store1 < 29.7538908686  and attr store1 > 28.9538908686 ))) 
6 0.1 0.1 peak 1431 volume 19.87466 ppm1 2.316 ppm2 0.963
 
! ############### c13noe.1432 folded +
assi (attr store1 < 4.392 and attr store1 > 4.292 )
     ((attr store1 < 2.303 and attr store1 > 2.243 ) and 
      (bondedto (attr store1 < 125.237109131  and attr store1 > 124.437109131 ) or 
       bondedto (attr store1 < 77.513  and attr store1 > 76.713 ) or 
       bondedto (attr store1 < 29.7888908686  and attr store1 > 28.9888908686 ))) 
6 0.1 0.1 peak 1432 volume 17.32935 ppm1 2.273 ppm2 4.342
 
! ############### c13noe.1433 folded +
assi (attr store1 < 1.625 and attr store1 > 1.525 )
     ((attr store1 < 2.303 and attr store1 > 2.243 ) and 
      (bondedto (attr store1 < 125.237109131  and attr store1 > 124.437109131 ) or 
       bondedto (attr store1 < 77.513  and attr store1 > 76.713 ) or 
       bondedto (attr store1 < 29.7888908686  and attr store1 > 28.9888908686 ))) 
6 0.1 0.1 peak 1433 volume 11.47189 ppm1 2.273 ppm2 1.575
 
! ############### c13noe.1434 folded +
assi (attr store1 < 8.078 and attr store1 > 7.978 )
     ((attr store1 < 2.3 and attr store1 > 2.24 ) and 
      (bondedto (attr store1 < 125.234109131  and attr store1 > 124.434109131 ) or 
       bondedto (attr store1 < 77.51  and attr store1 > 76.71 ) or 
       bondedto (attr store1 < 29.7858908686  and attr store1 > 28.9858908686 ))) 
6 0.1 0.1 peak 1434 volume 22.98696 ppm1 2.270 ppm2 8.028
 
! ############### c13noe.1435 folded +
assi (attr store1 < 8.076 and attr store1 > 7.976 )
     ((attr store1 < 2.223 and attr store1 > 2.163 ) and 
      (bondedto (attr store1 < 125.264109131  and attr store1 > 124.464109131 ) or 
       bondedto (attr store1 < 77.54  and attr store1 > 76.74 ) or 
       bondedto (attr store1 < 29.8158908686  and attr store1 > 29.0158908686 ))) 
6 0.1 0.1 peak 1435 volume 21.46652 ppm1 2.193 ppm2 8.026
 
! ############### c13noe.1436 folded +
assi (attr store1 < 1.617 and attr store1 > 1.517 )
     ((attr store1 < 2.214 and attr store1 > 2.154 ) and 
      (bondedto (attr store1 < 125.243109131  and attr store1 > 124.443109131 ) or 
       bondedto (attr store1 < 77.519  and attr store1 > 76.719 ) or 
       bondedto (attr store1 < 29.7948908686  and attr store1 > 28.9948908686 ))) 
6 0.1 0.1 peak 1436 volume 13.46854 ppm1 2.184 ppm2 1.567
 
! ############### c13noe.1437 folded +
assi (attr store1 < 8.178 and attr store1 > 8.078 )
     ((attr store1 < 2.177 and attr store1 > 2.117 ) and 
      (bondedto (attr store1 < 125.227109131  and attr store1 > 124.427109131 ) or 
       bondedto (attr store1 < 77.503  and attr store1 > 76.703 ) or 
       bondedto (attr store1 < 29.7788908686  and attr store1 > 28.9788908686 ))) 
6 0.1 0.1 peak 1437 volume 11.82798 ppm1 2.147 ppm2 8.128
 
! ############### c13noe.1438 folded +
assi (attr store1 < 4.339 and attr store1 > 4.239 )
     ((attr store1 < 2.096 and attr store1 > 2.036 ) and 
      (bondedto (attr store1 < 125.223109131  and attr store1 > 124.423109131 ) or 
       bondedto (attr store1 < 77.499  and attr store1 > 76.699 ) or 
       bondedto (attr store1 < 29.7748908686  and attr store1 > 28.9748908686 ))) 
6 0.1 0.1 peak 1438 volume 16.49343 ppm1 2.066 ppm2 4.289
 
! ############### c13noe.1439 folded +
assi (attr store1 < 4.12 and attr store1 > 4.02 )
     ((attr store1 < 2.095 and attr store1 > 2.035 ) and 
      (bondedto (attr store1 < 125.215109131  and attr store1 > 124.415109131 ) or 
       bondedto (attr store1 < 77.491  and attr store1 > 76.691 ) or 
       bondedto (attr store1 < 29.7668908686  and attr store1 > 28.9668908686 ))) 
6 0.1 0.1 peak 1439 volume 32.02507 ppm1 2.065 ppm2 4.070
 
! ############### c13noe.1440 folded +
assi (attr store1 < 8.404 and attr store1 > 8.304 )
     ((attr store1 < 2.088 and attr store1 > 2.028 ) and 
      (bondedto (attr store1 < 125.242109131  and attr store1 > 124.442109131 ) or 
       bondedto (attr store1 < 77.518  and attr store1 > 76.718 ) or 
       bondedto (attr store1 < 29.7938908686  and attr store1 > 28.9938908686 ))) 
6 0.1 0.1 peak 1440 volume 21.65688 ppm1 2.058 ppm2 8.354
 
! ############### c13noe.1441 folded +
assi (attr store1 < 4.154 and attr store1 > 4.054 )
     ((attr store1 < 1.984 and attr store1 > 1.924 ) and 
      (bondedto (attr store1 < 125.215109131  and attr store1 > 124.415109131 ) or 
       bondedto (attr store1 < 77.491  and attr store1 > 76.691 ) or 
       bondedto (attr store1 < 29.7668908686  and attr store1 > 28.9668908686 ))) 
6 0.1 0.1 peak 1441 volume 6.61174 ppm1 1.954 ppm2 4.104
 
! ############### c13noe.1442 folded -
assi (attr store1 < 0.922 and attr store1 > 0.822 )
     ((attr store1 < 1.224 and attr store1 > 1.164 ) and 
      (bondedto (attr store1 < 101.343054566  and attr store1 > 100.543054566 ) or 
       bondedto (attr store1 < 149.067163697  and attr store1 > 148.267163697) or 
       bondedto (attr store1 < 53.6189454343  and attr store1 > 52.8189454343 ))) 
6 0.1 0.1 peak 1442 volume 14.53438 ppm1 1.194 ppm2 0.872
 
! ############### c13noe.1443 folded +
assi (attr store1 < 1.013 and attr store1 > 0.913 )
     ((attr store1 < 2.356 and attr store1 > 2.296 ) and 
      (bondedto (attr store1 < 125.173109131  and attr store1 > 124.373109131 ) or 
       bondedto (attr store1 < 77.449  and attr store1 > 76.649 ) or 
       bondedto (attr store1 < 29.7248908686  and attr store1 > 28.9248908686 ))) 
6 0.1 0.1 peak 1443 volume 19.96110 ppm1 2.326 ppm2 0.963
 
! ############### c13noe.1444 folded +
assi (attr store1 < 8.321 and attr store1 > 8.221 )
     ((attr store1 < 2.348 and attr store1 > 2.288 ) and 
      (bondedto (attr store1 < 125.136109131  and attr store1 > 124.336109131 ) or 
       bondedto (attr store1 < 77.412  and attr store1 > 76.612 ) or 
       bondedto (attr store1 < 29.6878908686  and attr store1 > 28.8878908686 ))) 
6 0.1 0.1 peak 1444 volume 8.80892 ppm1 2.318 ppm2 8.271
 
! ############### c13noe.1445 folded +
assi (attr store1 < 3.652 and attr store1 > 3.552 )
     ((attr store1 < 2.349 and attr store1 > 2.289 ) and 
      (bondedto (attr store1 < 125.164109131  and attr store1 > 124.364109131 ) or 
       bondedto (attr store1 < 77.44  and attr store1 > 76.64 ) or 
       bondedto (attr store1 < 29.7158908686  and attr store1 > 28.9158908686 ))) 
6 0.1 0.1 peak 1445 volume 12.92369 ppm1 2.319 ppm2 3.602
 
! ############### c13noe.1446 folded +
assi (attr store1 < 1.184 and attr store1 > 1.084 )
     ((attr store1 < 2.348 and attr store1 > 2.288 ) and 
      (bondedto (attr store1 < 125.172109131  and attr store1 > 124.372109131 ) or 
       bondedto (attr store1 < 77.448  and attr store1 > 76.648 ) or 
       bondedto (attr store1 < 29.7238908686  and attr store1 > 28.9238908686 ))) 
6 0.1 0.1 peak 1446 volume 17.06746 ppm1 2.318 ppm2 1.134
 
! ############### c13noe.1447 folded +
assi (attr store1 < 3.727 and attr store1 > 3.627 )
     ((attr store1 < 2.345 and attr store1 > 2.285 ) and 
      (bondedto (attr store1 < 125.146109131  and attr store1 > 124.346109131 ) or 
       bondedto (attr store1 < 77.422  and attr store1 > 76.622 ) or 
       bondedto (attr store1 < 29.6978908686  and attr store1 > 28.8978908686 ))) 
6 0.1 0.1 peak 1447 volume 10.51788 ppm1 2.315 ppm2 3.677
 
! ############### c13noe.1448 folded +
assi (attr store1 < 8.085 and attr store1 > 7.985 )
     ((attr store1 < 2.11 and attr store1 > 2.05 ) and 
      (bondedto (attr store1 < 125.121109131  and attr store1 > 124.321109131 ) or 
       bondedto (attr store1 < 77.397  and attr store1 > 76.597 ) or 
       bondedto (attr store1 < 29.6728908686  and attr store1 > 28.8728908686 ))) 
6 0.1 0.1 peak 1448 volume 24.65509 ppm1 2.080 ppm2 8.035
 
! ############### c13noe.1449 folded +
assi (attr store1 < 4.053 and attr store1 > 3.953 )
     ((attr store1 < 2.11 and attr store1 > 2.05 ) and 
      (bondedto (attr store1 < 125.116109131  and attr store1 > 124.316109131 ) or 
       bondedto (attr store1 < 77.392  and attr store1 > 76.592 ) or 
       bondedto (attr store1 < 29.6678908686  and attr store1 > 28.8678908686 ))) 
6 0.1 0.1 peak 1449 volume 33.98309 ppm1 2.080 ppm2 4.003
 
! ############### c13noe.1450 folded +
assi (attr store1 < 1.936 and attr store1 > 1.836 )
     ((attr store1 < 2.114 and attr store1 > 2.054 ) and 
      (bondedto (attr store1 < 125.008109131  and attr store1 > 124.208109131 ) or 
       bondedto (attr store1 < 77.284  and attr store1 > 76.484 ) or 
       bondedto (attr store1 < 29.5598908686  and attr store1 > 28.7598908686 ))) 
6 0.1 0.1 peak 1450 volume 85.67240 ppm1 2.084 ppm2 1.886
 
! ############### c13noe.1451 folded +
assi (attr store1 < 7.931 and attr store1 > 7.831 )
     ((attr store1 < 2.108 and attr store1 > 2.048 ) and 
      (bondedto (attr store1 < 125.058109131  and attr store1 > 124.258109131 ) or 
       bondedto (attr store1 < 77.334  and attr store1 > 76.534 ) or 
       bondedto (attr store1 < 29.6098908686  and attr store1 > 28.8098908686 ))) 
6 0.1 0.1 peak 1451 volume 7.43128 ppm1 2.078 ppm2 7.881
 
! ############### c13noe.1452 folded +
assi (attr store1 < 8.089 and attr store1 > 7.989 )
     ((attr store1 < 1.92 and attr store1 > 1.86 ) and 
      (bondedto (attr store1 < 125.024109131  and attr store1 > 124.224109131 ) or 
       bondedto (attr store1 < 77.3  and attr store1 > 76.5 ) or 
       bondedto (attr store1 < 29.5758908686  and attr store1 > 28.7758908686 ))) 
6 0.1 0.1 peak 1452 volume 17.89876 ppm1 1.890 ppm2 8.039
 
! ############### c13noe.1453 folded +
assi (attr store1 < 4.049 and attr store1 > 3.949 )
     ((attr store1 < 1.915 and attr store1 > 1.855 ) and 
      (bondedto (attr store1 < 125.010109131  and attr store1 > 124.210109131 ) or 
       bondedto (attr store1 < 77.286  and attr store1 > 76.486 ) or 
       bondedto (attr store1 < 29.5618908686  and attr store1 > 28.7618908686 ))) 
6 0.1 0.1 peak 1453 volume 26.25893 ppm1 1.885 ppm2 3.999
 
! ############### c13noe.1454 folded +
assi (attr store1 < 2.13 and attr store1 > 2.03 )
     ((attr store1 < 1.916 and attr store1 > 1.856 ) and 
      (bondedto (attr store1 < 125.001109131  and attr store1 > 124.201109131 ) or 
       bondedto (attr store1 < 77.277  and attr store1 > 76.477 ) or 
       bondedto (attr store1 < 29.5528908686  and attr store1 > 28.7528908686 ))) 
6 0.1 0.1 peak 1454 volume 62.90295 ppm1 1.886 ppm2 2.080
 
! ############### c13noe.1455 folded +
assi (attr store1 < 7.92 and attr store1 > 7.82 )
     ((attr store1 < 1.907 and attr store1 > 1.847 ) and 
      (bondedto (attr store1 < 125.019109131  and attr store1 > 124.219109131 ) or 
       bondedto (attr store1 < 77.295  and attr store1 > 76.495 ) or 
       bondedto (attr store1 < 29.5708908686  and attr store1 > 28.7708908686 ))) 
6 0.1 0.1 peak 1455 volume 7.40058 ppm1 1.877 ppm2 7.870
 
! ############### c13noe.1456 folded +
assi (attr store1 < 3.065 and attr store1 > 2.965 )
     ((attr store1 < 1.849 and attr store1 > 1.789 ) and 
      (bondedto (attr store1 < 124.993109131  and attr store1 > 124.193109131 ) or 
       bondedto (attr store1 < 77.269  and attr store1 > 76.469 ) or 
       bondedto (attr store1 < 29.5448908686  and attr store1 > 28.7448908686 ))) 
6 0.1 0.1 peak 1456 volume 18.10229 ppm1 1.819 ppm2 3.015
 
! ############### c13noe.1457 folded +
assi (attr store1 < 1.58 and attr store1 > 1.48 )
     ((attr store1 < 1.85 and attr store1 > 1.79 ) and 
      (bondedto (attr store1 < 125.000109131  and attr store1 > 124.200109131 ) or 
       bondedto (attr store1 < 77.276  and attr store1 > 76.476 ) or 
       bondedto (attr store1 < 29.5518908686  and attr store1 > 28.7518908686 ))) 
6 0.1 0.1 peak 1457 volume 97.19896 ppm1 1.820 ppm2 1.530
 
! ############### c13noe.1458 folded +
assi (attr store1 < 0.963 and attr store1 > 0.863 )
     ((attr store1 < 1.851 and attr store1 > 1.791 ) and 
      (bondedto (attr store1 < 125.006109131  and attr store1 > 124.206109131 ) or 
       bondedto (attr store1 < 77.282  and attr store1 > 76.482 ) or 
       bondedto (attr store1 < 29.5578908686  and attr store1 > 28.7578908686 ))) 
6 0.1 0.1 peak 1458 volume 30.28980 ppm1 1.821 ppm2 0.913
 
! ############### c13noe.1459 folded +
assi (attr store1 < 4.021 and attr store1 > 3.921 )
     ((attr store1 < 1.846 and attr store1 > 1.786 ) and 
      (bondedto (attr store1 < 125.038109131  and attr store1 > 124.238109131 ) or 
       bondedto (attr store1 < 77.314  and attr store1 > 76.514 ) or 
       bondedto (attr store1 < 29.5898908686  and attr store1 > 28.7898908686 ))) 
6 0.1 0.1 peak 1459 volume 10.46403 ppm1 1.816 ppm2 3.971
 
! ############### c13noe.1460 folded +
assi (attr store1 < 3.067 and attr store1 > 2.967 )
     ((attr store1 < 1.563 and attr store1 > 1.503 ) and 
      (bondedto (attr store1 < 125.006109131  and attr store1 > 124.206109131 ) or 
       bondedto (attr store1 < 77.282  and attr store1 > 76.482 ) or 
       bondedto (attr store1 < 29.5578908686  and attr store1 > 28.7578908686 ))) 
6 0.1 0.1 peak 1460 volume 26.23956 ppm1 1.533 ppm2 3.017
 
! ############### c13noe.1461 folded +
assi (attr store1 < 2.407 and attr store1 > 2.307 )
     ((attr store1 < 1.562 and attr store1 > 1.502 ) and 
      (bondedto (attr store1 < 125.016109131  and attr store1 > 124.216109131 ) or 
       bondedto (attr store1 < 77.292  and attr store1 > 76.492 ) or 
       bondedto (attr store1 < 29.5678908686  and attr store1 > 28.7678908686 ))) 
6 0.1 0.1 peak 1461 volume 10.57460 ppm1 1.532 ppm2 2.357
 
! ############### c13noe.1462 folded +
assi (attr store1 < 1.874 and attr store1 > 1.774 )
     ((attr store1 < 1.562 and attr store1 > 1.502 ) and 
      (bondedto (attr store1 < 124.993109131  and attr store1 > 124.193109131 ) or 
       bondedto (attr store1 < 77.269  and attr store1 > 76.469 ) or 
       bondedto (attr store1 < 29.5448908686  and attr store1 > 28.7448908686 ))) 
6 0.1 0.1 peak 1462 volume 79.25034 ppm1 1.532 ppm2 1.824
 
! ############### c13noe.1463 folded +
assi (attr store1 < 1.674 and attr store1 > 1.574 )
     ((attr store1 < 1.565 and attr store1 > 1.505 ) and 
      (bondedto (attr store1 < 125.036109131  and attr store1 > 124.236109131 ) or 
       bondedto (attr store1 < 77.312  and attr store1 > 76.512 ) or 
       bondedto (attr store1 < 29.5878908686  and attr store1 > 28.7878908686 ))) 
6 0.1 0.1 peak 1463 volume 30.59390 ppm1 1.535 ppm2 1.624
 
! ############### c13noe.1464 folded +
assi (attr store1 < 4.015 and attr store1 > 3.915 )
     ((attr store1 < 1.56 and attr store1 > 1.5 ) and 
      (bondedto (attr store1 < 124.996109131  and attr store1 > 124.196109131 ) or 
       bondedto (attr store1 < 77.272  and attr store1 > 76.472 ) or 
       bondedto (attr store1 < 29.5478908686  and attr store1 > 28.7478908686 ))) 
6 0.1 0.1 peak 1464 volume 9.36615 ppm1 1.530 ppm2 3.965
 
! ############### c13noe.1465 folded +
assi (attr store1 < 2.268 and attr store1 > 2.168 )
     ((attr store1 < 1.913 and attr store1 > 1.853 ) and 
      (bondedto (attr store1 < 124.971109131  and attr store1 > 124.171109131 ) or 
       bondedto (attr store1 < 77.247  and attr store1 > 76.447 ) or 
       bondedto (attr store1 < 29.5228908686  and attr store1 > 28.7228908686 ))) 
6 0.1 0.1 peak 1465 volume 22.84976 ppm1 1.883 ppm2 2.218
 
! ############### c13noe.1466 folded +
assi (attr store1 < 2.404 and attr store1 > 2.304 )
     ((attr store1 < 1.854 and attr store1 > 1.794 ) and 
      (bondedto (attr store1 < 124.977109131  and attr store1 > 124.177109131 ) or 
       bondedto (attr store1 < 77.253  and attr store1 > 76.453 ) or 
       bondedto (attr store1 < 29.5288908686  and attr store1 > 28.7288908686 ))) 
6 0.1 0.1 peak 1466 volume 8.90488 ppm1 1.824 ppm2 2.354
 
! ############### c13noe.1467 folded +
assi (attr store1 < 7.056 and attr store1 > 6.956 )
     ((attr store1 < 1.754 and attr store1 > 1.694 ) and 
      (bondedto (attr store1 < 124.903109131  and attr store1 > 124.103109131 ) or 
       bondedto (attr store1 < 77.179  and attr store1 > 76.379 ) or 
       bondedto (attr store1 < 29.4548908686  and attr store1 > 28.6548908686 ))) 
6 0.1 0.1 peak 1467 volume 8.83438 ppm1 1.724 ppm2 7.006
 
! ############### c13noe.1468 folded +
assi (attr store1 < 0.963 and attr store1 > 0.863 )
     ((attr store1 < 1.56 and attr store1 > 1.5 ) and 
      (bondedto (attr store1 < 124.931109131  and attr store1 > 124.131109131 ) or 
       bondedto (attr store1 < 77.207  and attr store1 > 76.407 ) or 
       bondedto (attr store1 < 29.4828908686  and attr store1 > 28.6828908686 ))) 
6 0.1 0.1 peak 1468 volume 48.95221 ppm1 1.530 ppm2 0.913
 
! ############### c13noe.1469 folded +
assi (attr store1 < 1.265 and attr store1 > 1.165 )
     ((attr store1 < 1.482 and attr store1 > 1.422 ) and 
      (bondedto (attr store1 < 124.965109131  and attr store1 > 124.165109131 ) or 
       bondedto (attr store1 < 77.241  and attr store1 > 76.441 ) or 
       bondedto (attr store1 < 29.5168908686  and attr store1 > 28.7168908686 ))) 
6 0.1 0.1 peak 1469 volume 13.56066 ppm1 1.452 ppm2 1.215
 
! ############### c13noe.1470 folded -
assi (attr store1 < 2.01 and attr store1 > 1.91 )
     ((attr store1 < 2.346 and attr store1 > 2.286 ) and 
      (bondedto (attr store1 < 101.043054566  and attr store1 > 100.243054566 ) or 
       bondedto (attr store1 < 148.767163697  and attr store1 > 147.967163697) or 
       bondedto (attr store1 < 53.3189454343  and attr store1 > 52.5189454343 ))) 
6 0.1 0.1 peak 1470 volume 26.17054 ppm1 2.316 ppm2 1.960
 
! ############### c13noe.1471 folded -
assi (attr store1 < 2.366 and attr store1 > 2.266 )
     ((attr store1 < 2.011 and attr store1 > 1.951 ) and 
      (bondedto (attr store1 < 101.085054566  and attr store1 > 100.285054566 ) or 
       bondedto (attr store1 < 148.809163697  and attr store1 > 148.009163697) or 
       bondedto (attr store1 < 53.3609454343  and attr store1 > 52.5609454343 ))) 
6 0.1 0.1 peak 1471 volume 16.99489 ppm1 1.981 ppm2 2.316
 
! ############### c13noe.1472 folded -
assi (attr store1 < 2.361 and attr store1 > 2.261 )
     ((attr store1 < 1.975 and attr store1 > 1.915 ) and 
      (bondedto (attr store1 < 101.049054566  and attr store1 > 100.249054566 ) or 
       bondedto (attr store1 < 148.773163697  and attr store1 > 147.973163697) or 
       bondedto (attr store1 < 53.3249454343  and attr store1 > 52.5249454343 ))) 
6 0.1 0.1 peak 1472 volume 17.16835 ppm1 1.945 ppm2 2.311
 
! ############### c13noe.1473 folded +
assi (attr store1 < 8.482 and attr store1 > 8.382 )
     ((attr store1 < 3.53 and attr store1 > 3.47 ) and 
      (bondedto (attr store1 < 124.824109131  and attr store1 > 124.024109131 ) or 
       bondedto (attr store1 < 77.1  and attr store1 > 76.3 ) or 
       bondedto (attr store1 < 29.3758908686  and attr store1 > 28.5758908686 ))) 
6 0.1 0.1 peak 1473 volume 9.78243 ppm1 3.500 ppm2 8.432
 
! ############### c13noe.1474 folded +
assi (attr store1 < 4.111 and attr store1 > 4.011 )
     ((attr store1 < 3.493 and attr store1 > 3.433 ) and 
      (bondedto (attr store1 < 124.847109131  and attr store1 > 124.047109131 ) or 
       bondedto (attr store1 < 77.123  and attr store1 > 76.323 ) or 
       bondedto (attr store1 < 29.3988908686  and attr store1 > 28.5988908686 ))) 
6 0.1 0.1 peak 1474 volume 10.82574 ppm1 3.463 ppm2 4.061
 
! ############### c13noe.1475 folded +
assi (attr store1 < 4.169 and attr store1 > 4.069 )
     ((attr store1 < 1.754 and attr store1 > 1.694 ) and 
      (bondedto (attr store1 < 124.866109131  and attr store1 > 124.066109131 ) or 
       bondedto (attr store1 < 77.142  and attr store1 > 76.342 ) or 
       bondedto (attr store1 < 29.4178908686  and attr store1 > 28.6178908686 ))) 
6 0.1 0.1 peak 1475 volume 25.62909 ppm1 1.724 ppm2 4.119
 
! ############### c13noe.1476 folded +
assi (attr store1 < 3.07 and attr store1 > 2.97 )
     ((attr store1 < 1.751 and attr store1 > 1.691 ) and 
      (bondedto (attr store1 < 124.885109131  and attr store1 > 124.085109131 ) or 
       bondedto (attr store1 < 77.161  and attr store1 > 76.361 ) or 
       bondedto (attr store1 < 29.4368908686  and attr store1 > 28.6368908686 ))) 
6 0.1 0.1 peak 1476 volume 123.90936 ppm1 1.721 ppm2 3.020
 
! ############### c13noe.1477 folded +
assi (attr store1 < 1.589 and attr store1 > 1.489 )
     ((attr store1 < 1.751 and attr store1 > 1.691 ) and 
      (bondedto (attr store1 < 124.879109131  and attr store1 > 124.079109131 ) or 
       bondedto (attr store1 < 77.155  and attr store1 > 76.355 ) or 
       bondedto (attr store1 < 29.4308908686  and attr store1 > 28.6308908686 ))) 
6 0.1 0.1 peak 1477 volume 160.56650 ppm1 1.721 ppm2 1.539
 
! ############### c13noe.1478 folded +
assi (attr store1 < 1.166 and attr store1 > 1.066 )
     ((attr store1 < 1.75 and attr store1 > 1.69 ) and 
      (bondedto (attr store1 < 124.882109131  and attr store1 > 124.082109131 ) or 
       bondedto (attr store1 < 77.158  and attr store1 > 76.358 ) or 
       bondedto (attr store1 < 29.4338908686  and attr store1 > 28.6338908686 ))) 
6 0.1 0.1 peak 1478 volume 22.61281 ppm1 1.720 ppm2 1.116
 
! ############### c13noe.1479 folded +
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 1.748 and attr store1 > 1.688 ) and 
      (bondedto (attr store1 < 124.888109131  and attr store1 > 124.088109131 ) or 
       bondedto (attr store1 < 77.164  and attr store1 > 76.364 ) or 
       bondedto (attr store1 < 29.4398908686  and attr store1 > 28.6398908686 ))) 
6 0.1 0.1 peak 1479 volume 13.34680 ppm1 1.718 ppm2 4.686
 
! ############### c13noe.1480 folded +
assi (attr store1 < 0.929 and attr store1 > 0.829 )
     ((attr store1 < 1.225 and attr store1 > 1.165 ) and 
      (bondedto (attr store1 < 124.826109131  and attr store1 > 124.026109131 ) or 
       bondedto (attr store1 < 77.102  and attr store1 > 76.302 ) or 
       bondedto (attr store1 < 29.3778908686  and attr store1 > 28.5778908686 ))) 
6 0.1 0.1 peak 1480 volume 12.47691 ppm1 1.195 ppm2 0.879
 
! ############### c13noe.1481 folded +
assi (attr store1 < 4.11 and attr store1 > 4.01 )
     ((attr store1 < 3.519 and attr store1 > 3.459 ) and 
      (bondedto (attr store1 < 124.786109131  and attr store1 > 123.986109131 ) or 
       bondedto (attr store1 < 77.062  and attr store1 > 76.262 ) or 
       bondedto (attr store1 < 29.3378908686  and attr store1 > 28.5378908686 ))) 
6 0.1 0.1 peak 1481 volume 10.00660 ppm1 3.489 ppm2 4.060
 
! ############### c13noe.1482 folded +
assi (attr store1 < 8.486 and attr store1 > 8.386 )
     ((attr store1 < 3.499 and attr store1 > 3.439 ) and 
      (bondedto (attr store1 < 124.799109131  and attr store1 > 123.999109131 ) or 
       bondedto (attr store1 < 77.075  and attr store1 > 76.275 ) or 
       bondedto (attr store1 < 29.3508908686  and attr store1 > 28.5508908686 ))) 
6 0.1 0.1 peak 1482 volume 10.51061 ppm1 3.469 ppm2 8.436
 
! ############### c13noe.1483 folded +
assi (attr store1 < 4.174 and attr store1 > 4.074 )
     ((attr store1 < 1.788 and attr store1 > 1.728 ) and 
      (bondedto (attr store1 < 124.739109131  and attr store1 > 123.939109131 ) or 
       bondedto (attr store1 < 77.015  and attr store1 > 76.215 ) or 
       bondedto (attr store1 < 29.2908908686  and attr store1 > 28.4908908686 ))) 
6 0.1 0.1 peak 1483 volume 17.74534 ppm1 1.758 ppm2 4.124
 
! ############### c13noe.1484 folded -
assi (attr store1 < 2.827 and attr store1 > 2.727 )
     ((attr store1 < 2.97 and attr store1 > 2.91 ) and 
      (bondedto (attr store1 < 100.895054566  and attr store1 > 100.095054566 ) or 
       bondedto (attr store1 < 148.619163697  and attr store1 > 147.819163697) or 
       bondedto (attr store1 < 53.1709454343  and attr store1 > 52.3709454343 ))) 
6 0.1 0.1 peak 1484 volume 6.80922 ppm1 2.940 ppm2 2.777
 
! ############### c13noe.1485 folded -
assi (attr store1 < 2.987 and attr store1 > 2.887 )
     ((attr store1 < 2.81 and attr store1 > 2.75 ) and 
      (bondedto (attr store1 < 100.902054566  and attr store1 > 100.102054566 ) or 
       bondedto (attr store1 < 148.626163697  and attr store1 > 147.826163697) or 
       bondedto (attr store1 < 53.1779454343  and attr store1 > 52.3779454343 ))) 
6 0.1 0.1 peak 1485 volume 7.54529 ppm1 2.780 ppm2 2.937
 
! ############### c13noe.1486 folded -
assi (attr store1 < 2.721 and attr store1 > 2.621 )
     ((attr store1 < 2.79 and attr store1 > 2.73 ) and 
      (bondedto (attr store1 < 100.873054566  and attr store1 > 100.073054566 ) or 
       bondedto (attr store1 < 148.597163697  and attr store1 > 147.797163697) or 
       bondedto (attr store1 < 53.1489454343  and attr store1 > 52.3489454343 ))) 
6 0.1 0.1 peak 1486 volume 7.41896 ppm1 2.760 ppm2 2.671
 
! ############### c13noe.1487 folded -
assi (attr store1 < 2.806 and attr store1 > 2.706 )
     ((attr store1 < 2.701 and attr store1 > 2.641 ) and 
      (bondedto (attr store1 < 100.876054566  and attr store1 > 100.076054566 ) or 
       bondedto (attr store1 < 148.600163697  and attr store1 > 147.800163697) or 
       bondedto (attr store1 < 53.1519454343  and attr store1 > 52.3519454343 ))) 
6 0.1 0.1 peak 1487 volume 11.30459 ppm1 2.671 ppm2 2.756
 
! ############### c13noe.1488 folded +
assi (attr store1 < 7.981 and attr store1 > 7.881 )
     ((attr store1 < 1.985 and attr store1 > 1.925 ) and 
      (bondedto (attr store1 < 124.665109131  and attr store1 > 123.865109131 ) or 
       bondedto (attr store1 < 76.941  and attr store1 > 76.141 ) or 
       bondedto (attr store1 < 29.2168908686  and attr store1 > 28.4168908686 ))) 
6 0.1 0.1 peak 1488 volume 6.32516 ppm1 1.955 ppm2 7.931
 
! ############### c13noe.1489 folded +
assi (attr store1 < 4.327 and attr store1 > 4.227 )
     ((attr store1 < 1.981 and attr store1 > 1.921 ) and 
      (bondedto (attr store1 < 124.690109131  and attr store1 > 123.890109131 ) or 
       bondedto (attr store1 < 76.966  and attr store1 > 76.166 ) or 
       bondedto (attr store1 < 29.2418908686  and attr store1 > 28.4418908686 ))) 
6 0.1 0.1 peak 1489 volume 8.25072 ppm1 1.951 ppm2 4.277
 
! ############### c13noe.1490 folded +
assi (attr store1 < 2.154 and attr store1 > 2.054 )
     ((attr store1 < 1.98 and attr store1 > 1.92 ) and 
      (bondedto (attr store1 < 124.666109131  and attr store1 > 123.866109131 ) or 
       bondedto (attr store1 < 76.942  and attr store1 > 76.142 ) or 
       bondedto (attr store1 < 29.2178908686  and attr store1 > 28.4178908686 ))) 
6 0.1 0.1 peak 1490 volume 36.71226 ppm1 1.950 ppm2 2.104
 
! ############### c13noe.1491 folded +
assi (attr store1 < 7.452 and attr store1 > 7.352 )
     ((attr store1 < 1.978 and attr store1 > 1.918 ) and 
      (bondedto (attr store1 < 124.675109131  and attr store1 > 123.875109131 ) or 
       bondedto (attr store1 < 76.951  and attr store1 > 76.151 ) or 
       bondedto (attr store1 < 29.2268908686  and attr store1 > 28.4268908686 ))) 
6 0.1 0.1 peak 1491 volume 13.33860 ppm1 1.948 ppm2 7.402
 
! ############### c13noe.1492 folded +
assi (attr store1 < 4.172 and attr store1 > 4.072 )
     ((attr store1 < 1.976 and attr store1 > 1.916 ) and 
      (bondedto (attr store1 < 124.678109131  and attr store1 > 123.878109131 ) or 
       bondedto (attr store1 < 76.954  and attr store1 > 76.154 ) or 
       bondedto (attr store1 < 29.2298908686  and attr store1 > 28.4298908686 ))) 
6 0.1 0.1 peak 1492 volume 16.22420 ppm1 1.946 ppm2 4.122
 
! ############### c13noe.1493 folded +
assi (attr store1 < 1.807 and attr store1 > 1.707 )
     ((attr store1 < 1.978 and attr store1 > 1.918 ) and 
      (bondedto (attr store1 < 124.699109131  and attr store1 > 123.899109131 ) or 
       bondedto (attr store1 < 76.975  and attr store1 > 76.175 ) or 
       bondedto (attr store1 < 29.2508908686  and attr store1 > 28.4508908686 ))) 
6 0.1 0.1 peak 1493 volume 47.86561 ppm1 1.948 ppm2 1.757
 
! ############### c13noe.1494 folded +
assi (attr store1 < 0.961 and attr store1 > 0.861 )
     ((attr store1 < 1.893 and attr store1 > 1.833 ) and 
      (bondedto (attr store1 < 124.684109131  and attr store1 > 123.884109131 ) or 
       bondedto (attr store1 < 76.96  and attr store1 > 76.16 ) or 
       bondedto (attr store1 < 29.2358908686  and attr store1 > 28.4358908686 ))) 
6 0.1 0.1 peak 1494 volume 27.90192 ppm1 1.863 ppm2 0.911
 
! ############### c13noe.1495 folded +
assi (attr store1 < 7.45 and attr store1 > 7.35 )
     ((attr store1 < 1.792 and attr store1 > 1.732 ) and 
      (bondedto (attr store1 < 124.677109131  and attr store1 > 123.877109131 ) or 
       bondedto (attr store1 < 76.953  and attr store1 > 76.153 ) or 
       bondedto (attr store1 < 29.2288908686  and attr store1 > 28.4288908686 ))) 
6 0.1 0.1 peak 1495 volume 12.58129 ppm1 1.762 ppm2 7.400
 
! ############### c13noe.1496 folded +
assi (attr store1 < 1.987 and attr store1 > 1.887 )
     ((attr store1 < 1.793 and attr store1 > 1.733 ) and 
      (bondedto (attr store1 < 124.680109131  and attr store1 > 123.880109131 ) or 
       bondedto (attr store1 < 76.956  and attr store1 > 76.156 ) or 
       bondedto (attr store1 < 29.2318908686  and attr store1 > 28.4318908686 ))) 
6 0.1 0.1 peak 1496 volume 61.67070 ppm1 1.763 ppm2 1.937
 
! ############### c13noe.1497 folded +
assi (attr store1 < 7.98 and attr store1 > 7.88 )
     ((attr store1 < 1.785 and attr store1 > 1.725 ) and 
      (bondedto (attr store1 < 124.676109131  and attr store1 > 123.876109131 ) or 
       bondedto (attr store1 < 76.952  and attr store1 > 76.152 ) or 
       bondedto (attr store1 < 29.2278908686  and attr store1 > 28.4278908686 ))) 
6 0.1 0.1 peak 1497 volume 7.99625 ppm1 1.755 ppm2 7.930
 
! ############### c13noe.1498 folded +
assi (attr store1 < 4.312 and attr store1 > 4.212 )
     ((attr store1 < 1.785 and attr store1 > 1.725 ) and 
      (bondedto (attr store1 < 124.679109131  and attr store1 > 123.879109131 ) or 
       bondedto (attr store1 < 76.955  and attr store1 > 76.155 ) or 
       bondedto (attr store1 < 29.2308908686  and attr store1 > 28.4308908686 ))) 
6 0.1 0.1 peak 1498 volume 8.58830 ppm1 1.755 ppm2 4.262
 
! ############### c13noe.1499 folded +
assi (attr store1 < 2.156 and attr store1 > 2.056 )
     ((attr store1 < 1.785 and attr store1 > 1.725 ) and 
      (bondedto (attr store1 < 124.678109131  and attr store1 > 123.878109131 ) or 
       bondedto (attr store1 < 76.954  and attr store1 > 76.154 ) or 
       bondedto (attr store1 < 29.2298908686  and attr store1 > 28.4298908686 ))) 
6 0.1 0.1 peak 1499 volume 28.13846 ppm1 1.755 ppm2 2.106
 
! ############### c13noe.1500 folded +
assi (attr store1 < 3.768 and attr store1 > 3.668 )
     ((attr store1 < 1.557 and attr store1 > 1.497 ) and 
      (bondedto (attr store1 < 124.667109131  and attr store1 > 123.867109131 ) or 
       bondedto (attr store1 < 76.943  and attr store1 > 76.143 ) or 
       bondedto (attr store1 < 29.2188908686  and attr store1 > 28.4188908686 ))) 
6 0.1 0.1 peak 1500 volume 6.30420 ppm1 1.527 ppm2 3.718
 
! ############### c13noe.1501 folded -
assi (attr store1 < 3.207 and attr store1 > 3.107 )
     ((attr store1 < 3.276 and attr store1 > 3.216 ) and 
      (bondedto (attr store1 < 100.782054566  and attr store1 > 99.982054566 ) or 
       bondedto (attr store1 < 148.506163697  and attr store1 > 147.706163697) or 
       bondedto (attr store1 < 53.0579454343  and attr store1 > 52.2579454343 ))) 
6 0.1 0.1 peak 1501 volume 17.44111 ppm1 3.246 ppm2 3.157
 
! ############### c13noe.1502 folded -
assi (attr store1 < 3.301 and attr store1 > 3.201 )
     ((attr store1 < 3.183 and attr store1 > 3.123 ) and 
      (bondedto (attr store1 < 100.800054566  and attr store1 > 100.000054566 ) or 
       bondedto (attr store1 < 148.524163697  and attr store1 > 147.724163697) or 
       bondedto (attr store1 < 53.0759454343  and attr store1 > 52.2759454343 ))) 
6 0.1 0.1 peak 1502 volume 23.93979 ppm1 3.153 ppm2 3.251
 
! ############### c13noe.1503 folded +
assi (attr store1 < 3.839 and attr store1 > 3.739 )
     ((attr store1 < 2.316 and attr store1 > 2.256 ) and 
      (bondedto (attr store1 < 124.449109131  and attr store1 > 123.649109131 ) or 
       bondedto (attr store1 < 76.725  and attr store1 > 75.925 ) or 
       bondedto (attr store1 < 29.0008908686  and attr store1 > 28.2008908686 ))) 
6 0.1 0.1 peak 1503 volume 9.48202 ppm1 2.286 ppm2 3.789
 
! ############### c13noe.1504 folded +
assi (attr store1 < 3.831 and attr store1 > 3.731 )
     ((attr store1 < 2.24 and attr store1 > 2.18 ) and 
      (bondedto (attr store1 < 124.467109131  and attr store1 > 123.667109131 ) or 
       bondedto (attr store1 < 76.743  and attr store1 > 75.943 ) or 
       bondedto (attr store1 < 29.0188908686  and attr store1 > 28.2188908686 ))) 
6 0.1 0.1 peak 1504 volume 10.61711 ppm1 2.210 ppm2 3.781
 
! ############### c13noe.1505 folded +
assi (attr store1 < 9.412 and attr store1 > 9.312 )
     ((attr store1 < 2.07 and attr store1 > 2.01 ) and 
      (bondedto (attr store1 < 124.458109131  and attr store1 > 123.658109131 ) or 
       bondedto (attr store1 < 76.734  and attr store1 > 75.934 ) or 
       bondedto (attr store1 < 29.0098908686  and attr store1 > 28.2098908686 ))) 
6 0.1 0.1 peak 1505 volume 20.00606 ppm1 2.040 ppm2 9.362
 
! ############### c13noe.1506 folded +
assi (attr store1 < 4.116 and attr store1 > 4.016 )
     ((attr store1 < 2.07 and attr store1 > 2.01 ) and 
      (bondedto (attr store1 < 124.446109131  and attr store1 > 123.646109131 ) or 
       bondedto (attr store1 < 76.722  and attr store1 > 75.922 ) or 
       bondedto (attr store1 < 28.9978908686  and attr store1 > 28.1978908686 ))) 
6 0.1 0.1 peak 1506 volume 29.16982 ppm1 2.040 ppm2 4.066
 
! ############### c13noe.1507 folded +
assi (attr store1 < 2.583 and attr store1 > 2.483 )
     ((attr store1 < 2.691 and attr store1 > 2.631 ) and 
      (bondedto (attr store1 < 124.392109131  and attr store1 > 123.592109131 ) or 
       bondedto (attr store1 < 76.668  and attr store1 > 75.868 ) or 
       bondedto (attr store1 < 28.9438908686  and attr store1 > 28.1438908686 ))) 
6 0.1 0.1 peak 1507 volume 10.27160 ppm1 2.661 ppm2 2.533
 
! ############### c13noe.1508 folded +
assi (attr store1 < 2.699 and attr store1 > 2.599 )
     ((attr store1 < 2.686 and attr store1 > 2.626 ) and 
      (bondedto (attr store1 < 124.363109131  and attr store1 > 123.563109131 ) or 
       bondedto (attr store1 < 76.639  and attr store1 > 75.839 ) or 
       bondedto (attr store1 < 28.9148908686  and attr store1 > 28.1148908686 ))) 
6 0.1 0.1 peak 1508 volume 13.30947 ppm1 2.656 ppm2 2.649
 
! ############### c13noe.1509 folded +
assi (attr store1 < 2.419 and attr store1 > 2.319 )
     ((attr store1 < 2.684 and attr store1 > 2.624 ) and 
      (bondedto (attr store1 < 124.371109131  and attr store1 > 123.571109131 ) or 
       bondedto (attr store1 < 76.647  and attr store1 > 75.847 ) or 
       bondedto (attr store1 < 28.9228908686  and attr store1 > 28.1228908686 ))) 
6 0.1 0.1 peak 1509 volume 21.28198 ppm1 2.654 ppm2 2.369
 
! ############### c13noe.1510 folded +
assi (attr store1 < 7.862 and attr store1 > 7.762 )
     ((attr store1 < 2.403 and attr store1 > 2.343 ) and 
      (bondedto (attr store1 < 124.384109131  and attr store1 > 123.584109131 ) or 
       bondedto (attr store1 < 76.66  and attr store1 > 75.86 ) or 
       bondedto (attr store1 < 28.9358908686  and attr store1 > 28.1358908686 ))) 
6 0.1 0.1 peak 1510 volume 8.35512 ppm1 2.373 ppm2 7.812
 
! ############### c13noe.1511 folded +
assi (attr store1 < 4.159 and attr store1 > 4.059 )
     ((attr store1 < 2.399 and attr store1 > 2.339 ) and 
      (bondedto (attr store1 < 124.376109131  and attr store1 > 123.576109131 ) or 
       bondedto (attr store1 < 76.652  and attr store1 > 75.852 ) or 
       bondedto (attr store1 < 28.9278908686  and attr store1 > 28.1278908686 ))) 
6 0.1 0.1 peak 1511 volume 8.65662 ppm1 2.369 ppm2 4.109
 
! ############### c13noe.1512 folded +
assi (attr store1 < 4.077 and attr store1 > 3.977 )
     ((attr store1 < 2.398 and attr store1 > 2.338 ) and 
      (bondedto (attr store1 < 124.404109131  and attr store1 > 123.604109131 ) or 
       bondedto (attr store1 < 76.68  and attr store1 > 75.88 ) or 
       bondedto (attr store1 < 28.9558908686  and attr store1 > 28.1558908686 ))) 
6 0.1 0.1 peak 1512 volume 9.02624 ppm1 2.368 ppm2 4.027
 
! ############### c13noe.1513 folded +
assi (attr store1 < 2.815 and attr store1 > 2.715 )
     ((attr store1 < 2.398 and attr store1 > 2.338 ) and 
      (bondedto (attr store1 < 124.370109131  and attr store1 > 123.570109131 ) or 
       bondedto (attr store1 < 76.646  and attr store1 > 75.846 ) or 
       bondedto (attr store1 < 28.9218908686  and attr store1 > 28.1218908686 ))) 
6 0.1 0.1 peak 1513 volume 12.03987 ppm1 2.368 ppm2 2.765
 
! ############### c13noe.1514 folded +
assi (attr store1 < 2.705 and attr store1 > 2.605 )
     ((attr store1 < 2.395 and attr store1 > 2.335 ) and 
      (bondedto (attr store1 < 124.394109131  and attr store1 > 123.594109131 ) or 
       bondedto (attr store1 < 76.67  and attr store1 > 75.87 ) or 
       bondedto (attr store1 < 28.9458908686  and attr store1 > 28.1458908686 ))) 
6 0.1 0.1 peak 1514 volume 23.84995 ppm1 2.365 ppm2 2.655
 
! ############### c13noe.1515 folded +
assi (attr store1 < 2.415 and attr store1 > 2.315 )
     ((attr store1 < 2.392 and attr store1 > 2.332 ) and 
      (bondedto (attr store1 < 124.413109131  and attr store1 > 123.613109131 ) or 
       bondedto (attr store1 < 76.689  and attr store1 > 75.889 ) or 
       bondedto (attr store1 < 28.9648908686  and attr store1 > 28.1648908686 ))) 
6 0.1 0.1 peak 1515 volume 38.26292 ppm1 2.362 ppm2 2.365
 
! ############### c13noe.1516 folded +
assi (attr store1 < 8.236 and attr store1 > 8.136 )
     ((attr store1 < 2.382 and attr store1 > 2.322 ) and 
      (bondedto (attr store1 < 124.354109131  and attr store1 > 123.554109131 ) or 
       bondedto (attr store1 < 76.63  and attr store1 > 75.83 ) or 
       bondedto (attr store1 < 28.9058908686  and attr store1 > 28.1058908686 ))) 
6 0.1 0.1 peak 1516 volume 7.54425 ppm1 2.352 ppm2 8.186
 
! ############### c13noe.1517 folded +
assi (attr store1 < 3.838 and attr store1 > 3.738 )
     ((attr store1 < 2.301 and attr store1 > 2.241 ) and 
      (bondedto (attr store1 < 124.407109131  and attr store1 > 123.607109131 ) or 
       bondedto (attr store1 < 76.683  and attr store1 > 75.883 ) or 
       bondedto (attr store1 < 28.9588908686  and attr store1 > 28.1588908686 ))) 
6 0.1 0.1 peak 1517 volume 8.65530 ppm1 2.271 ppm2 3.788
 
! ############### c13noe.1518 folded +
assi (attr store1 < 8.221 and attr store1 > 8.121 )
     ((attr store1 < 2.238 and attr store1 > 2.178 ) and 
      (bondedto (attr store1 < 124.376109131  and attr store1 > 123.576109131 ) or 
       bondedto (attr store1 < 76.652  and attr store1 > 75.852 ) or 
       bondedto (attr store1 < 28.9278908686  and attr store1 > 28.1278908686 ))) 
6 0.1 0.1 peak 1518 volume 24.69036 ppm1 2.208 ppm2 8.171
 
! ############### c13noe.1519 folded -
assi (attr store1 < 1.25 and attr store1 > 1.15 )
     ((attr store1 < 1.481 and attr store1 > 1.421 ) and 
      (bondedto (attr store1 < 100.534054566  and attr store1 > 99.734054566 ) or 
       bondedto (attr store1 < 148.258163697  and attr store1 > 147.458163697) or 
       bondedto (attr store1 < 52.8099454343  and attr store1 > 52.0099454343 ))) 
6 0.1 0.1 peak 1519 volume 49.37845 ppm1 1.451 ppm2 1.200
 
! ############### c13noe.1520 folded +
assi (attr store1 < 8.234 and attr store1 > 8.134 )
     ((attr store1 < 2.3 and attr store1 > 2.24 ) and 
      (bondedto (attr store1 < 124.290109131  and attr store1 > 123.490109131 ) or 
       bondedto (attr store1 < 76.566  and attr store1 > 75.766 ) or 
       bondedto (attr store1 < 28.8418908686  and attr store1 > 28.0418908686 ))) 
6 0.1 0.1 peak 1520 volume 22.43233 ppm1 2.270 ppm2 8.184
 
! ############### c13noe.1521 folded +
assi (attr store1 < 4.16 and attr store1 > 4.06 )
     ((attr store1 < 2.297 and attr store1 > 2.237 ) and 
      (bondedto (attr store1 < 124.314109131  and attr store1 > 123.514109131 ) or 
       bondedto (attr store1 < 76.59  and attr store1 > 75.79 ) or 
       bondedto (attr store1 < 28.8658908686  and attr store1 > 28.0658908686 ))) 
6 0.1 0.1 peak 1521 volume 29.21433 ppm1 2.267 ppm2 4.110
 
! ############### c13noe.1522 folded +
assi (attr store1 < 4.156 and attr store1 > 4.056 )
     ((attr store1 < 2.233 and attr store1 > 2.173 ) and 
      (bondedto (attr store1 < 124.309109131  and attr store1 > 123.509109131 ) or 
       bondedto (attr store1 < 76.585  and attr store1 > 75.785 ) or 
       bondedto (attr store1 < 28.8608908686  and attr store1 > 28.0608908686 ))) 
6 0.1 0.1 peak 1522 volume 32.84315 ppm1 2.203 ppm2 4.106
 
! ############### c13noe.1523 folded +
assi (attr store1 < 2.595 and attr store1 > 2.495 )
     ((attr store1 < 2.232 and attr store1 > 2.172 ) and 
      (bondedto (attr store1 < 124.264109131  and attr store1 > 123.464109131 ) or 
       bondedto (attr store1 < 76.54  and attr store1 > 75.74 ) or 
       bondedto (attr store1 < 28.8158908686  and attr store1 > 28.0158908686 ))) 
6 0.1 0.1 peak 1523 volume 62.15210 ppm1 2.202 ppm2 2.545
 
! ############### c13noe.1524 folded +
assi (attr store1 < 4.526 and attr store1 > 4.426 )
     ((attr store1 < 1.979 and attr store1 > 1.919 ) and 
      (bondedto (attr store1 < 124.263109131  and attr store1 > 123.463109131 ) or 
       bondedto (attr store1 < 76.539  and attr store1 > 75.739 ) or 
       bondedto (attr store1 < 28.8148908686  and attr store1 > 28.0148908686 ))) 
6 0.1 0.1 peak 1524 volume 11.20025 ppm1 1.949 ppm2 4.476
 
! ############### c13noe.1525 folded +
assi (attr store1 < 3.888 and attr store1 > 3.788 )
     ((attr store1 < 3.687 and attr store1 > 3.627 ) and 
      (bondedto (attr store1 < 124.162109131  and attr store1 > 123.362109131 ) or 
       bondedto (attr store1 < 76.438  and attr store1 > 75.638 ) or 
       bondedto (attr store1 < 28.7138908686  and attr store1 > 27.9138908686 ))) 
6 0.1 0.1 peak 1525 volume 16.73528 ppm1 3.657 ppm2 3.838
 
! ############### c13noe.1526 folded +
assi (attr store1 < 7.453 and attr store1 > 7.353 )
     ((attr store1 < 2.302 and attr store1 > 2.242 ) and 
      (bondedto (attr store1 < 124.228109131  and attr store1 > 123.428109131 ) or 
       bondedto (attr store1 < 76.504  and attr store1 > 75.704 ) or 
       bondedto (attr store1 < 28.7798908686  and attr store1 > 27.9798908686 ))) 
6 0.1 0.1 peak 1526 volume 8.64925 ppm1 2.272 ppm2 7.403
 
! ############### c13noe.1527 folded +
assi (attr store1 < 4.516 and attr store1 > 4.416 )
     ((attr store1 < 2.288 and attr store1 > 2.228 ) and 
      (bondedto (attr store1 < 124.195109131  and attr store1 > 123.395109131 ) or 
       bondedto (attr store1 < 76.471  and attr store1 > 75.671 ) or 
       bondedto (attr store1 < 28.7468908686  and attr store1 > 27.9468908686 ))) 
6 0.1 0.1 peak 1527 volume 10.13426 ppm1 2.258 ppm2 4.466
 
! ############### c13noe.1528 folded +
assi (attr store1 < 4.309 and attr store1 > 4.209 )
     ((attr store1 < 2.278 and attr store1 > 2.218 ) and 
      (bondedto (attr store1 < 124.163109131  and attr store1 > 123.363109131 ) or 
       bondedto (attr store1 < 76.439  and attr store1 > 75.639 ) or 
       bondedto (attr store1 < 28.7148908686  and attr store1 > 27.9148908686 ))) 
6 0.1 0.1 peak 1528 volume 13.21864 ppm1 2.248 ppm2 4.259
 
! ############### c13noe.1529 folded +
assi (attr store1 < 3.728 and attr store1 > 3.628 )
     ((attr store1 < 2.28 and attr store1 > 2.22 ) and 
      (bondedto (attr store1 < 124.166109131  and attr store1 > 123.366109131 ) or 
       bondedto (attr store1 < 76.442  and attr store1 > 75.642 ) or 
       bondedto (attr store1 < 28.7178908686  and attr store1 > 27.9178908686 ))) 
6 0.1 0.1 peak 1529 volume 15.32920 ppm1 2.250 ppm2 3.678
 
! ############### c13noe.1530 folded +
assi (attr store1 < 2.07 and attr store1 > 1.97 )
     ((attr store1 < 2.279 and attr store1 > 2.219 ) and 
      (bondedto (attr store1 < 124.158109131  and attr store1 > 123.358109131 ) or 
       bondedto (attr store1 < 76.434  and attr store1 > 75.634 ) or 
       bondedto (attr store1 < 28.7098908686  and attr store1 > 27.9098908686 ))) 
6 0.1 0.1 peak 1530 volume 76.99686 ppm1 2.249 ppm2 2.020
 
! ############### c13noe.1531 folded +
assi (attr store1 < 7.451 and attr store1 > 7.351 )
     ((attr store1 < 2.233 and attr store1 > 2.173 ) and 
      (bondedto (attr store1 < 124.220109131  and attr store1 > 123.420109131 ) or 
       bondedto (attr store1 < 76.496  and attr store1 > 75.696 ) or 
       bondedto (attr store1 < 28.7718908686  and attr store1 > 27.9718908686 ))) 
6 0.1 0.1 peak 1531 volume 7.79166 ppm1 2.203 ppm2 7.401
 
! ############### c13noe.1532 folded +
assi (attr store1 < 4.515 and attr store1 > 4.415 )
     ((attr store1 < 2.111 and attr store1 > 2.051 ) and 
      (bondedto (attr store1 < 124.195109131  and attr store1 > 123.395109131 ) or 
       bondedto (attr store1 < 76.471  and attr store1 > 75.671 ) or 
       bondedto (attr store1 < 28.7468908686  and attr store1 > 27.9468908686 ))) 
6 0.1 0.1 peak 1532 volume 10.53641 ppm1 2.081 ppm2 4.465
 
! ############### c13noe.1533 folded +
assi (attr store1 < 3.816 and attr store1 > 3.716 )
     ((attr store1 < 2.112 and attr store1 > 2.052 ) and 
      (bondedto (attr store1 < 124.178109131  and attr store1 > 123.378109131 ) or 
       bondedto (attr store1 < 76.454  and attr store1 > 75.654 ) or 
       bondedto (attr store1 < 28.7298908686  and attr store1 > 27.9298908686 ))) 
6 0.1 0.1 peak 1533 volume 12.85684 ppm1 2.082 ppm2 3.766
 
! ############### c13noe.1534 folded +
assi (attr store1 < 3.527 and attr store1 > 3.427 )
     ((attr store1 < 2.109 and attr store1 > 2.049 ) and 
      (bondedto (attr store1 < 124.213109131  and attr store1 > 123.413109131 ) or 
       bondedto (attr store1 < 76.489  and attr store1 > 75.689 ) or 
       bondedto (attr store1 < 28.7648908686  and attr store1 > 27.9648908686 ))) 
6 0.1 0.1 peak 1534 volume 15.82127 ppm1 2.079 ppm2 3.477
 
! ############### c13noe.1535 folded +
assi (attr store1 < 3.648 and attr store1 > 3.548 )
     ((attr store1 < 2.048 and attr store1 > 1.988 ) and 
      (bondedto (attr store1 < 124.175109131  and attr store1 > 123.375109131 ) or 
       bondedto (attr store1 < 76.451  and attr store1 > 75.651 ) or 
       bondedto (attr store1 < 28.7268908686  and attr store1 > 27.9268908686 ))) 
6 0.1 0.1 peak 1535 volume 14.81266 ppm1 2.018 ppm2 3.598
 
! ############### c13noe.1536 folded +
assi (attr store1 < 3.527 and attr store1 > 3.427 )
     ((attr store1 < 1.982 and attr store1 > 1.922 ) and 
      (bondedto (attr store1 < 124.226109131  and attr store1 > 123.426109131 ) or 
       bondedto (attr store1 < 76.502  and attr store1 > 75.702 ) or 
       bondedto (attr store1 < 28.7778908686  and attr store1 > 27.9778908686 ))) 
6 0.1 0.1 peak 1536 volume 11.91048 ppm1 1.952 ppm2 3.477
 
! ############### c13noe.1537 folded +
assi (attr store1 < 2.522 and attr store1 > 2.422 )
     ((attr store1 < 1.983 and attr store1 > 1.923 ) and 
      (bondedto (attr store1 < 124.213109131  and attr store1 > 123.413109131 ) or 
       bondedto (attr store1 < 76.489  and attr store1 > 75.689 ) or 
       bondedto (attr store1 < 28.7648908686  and attr store1 > 27.9648908686 ))) 
6 0.1 0.1 peak 1537 volume 16.89911 ppm1 1.953 ppm2 2.472
 
! ############### c13noe.1538 folded +
assi (attr store1 < 3.814 and attr store1 > 3.714 )
     ((attr store1 < 1.978 and attr store1 > 1.918 ) and 
      (bondedto (attr store1 < 124.185109131  and attr store1 > 123.385109131 ) or 
       bondedto (attr store1 < 76.461  and attr store1 > 75.661 ) or 
       bondedto (attr store1 < 28.7368908686  and attr store1 > 27.9368908686 ))) 
6 0.1 0.1 peak 1538 volume 12.87005 ppm1 1.948 ppm2 3.764
 
! ############### c13noe.1539 folded -
assi (attr store1 < 1.501 and attr store1 > 1.401 )
     ((attr store1 < 1.224 and attr store1 > 1.164 ) and 
      (bondedto (attr store1 < 100.343054566  and attr store1 > 99.5430545657 ) or 
       bondedto (attr store1 < 148.067163697  and attr store1 > 147.267163697) or 
       bondedto (attr store1 < 52.6189454343  and attr store1 > 51.8189454343 ))) 
6 0.1 0.1 peak 1539 volume 42.36696 ppm1 1.194 ppm2 1.451
 
! ############### c13noe.1540 folded +
assi (attr store1 < 3.705 and attr store1 > 3.605 )
     ((attr store1 < 2.274 and attr store1 > 2.214 ) and 
      (bondedto (attr store1 < 124.119109131  and attr store1 > 123.319109131 ) or 
       bondedto (attr store1 < 76.395  and attr store1 > 75.595 ) or 
       bondedto (attr store1 < 28.6708908686  and attr store1 > 27.8708908686 ))) 
6 0.1 0.1 peak 1540 volume 15.03867 ppm1 2.244 ppm2 3.655
 
! ############### c13noe.1541 folded +
assi (attr store1 < 3.641 and attr store1 > 3.541 )
     ((attr store1 < 2.274 and attr store1 > 2.214 ) and 
      (bondedto (attr store1 < 124.127109131  and attr store1 > 123.327109131 ) or 
       bondedto (attr store1 < 76.403  and attr store1 > 75.603 ) or 
       bondedto (attr store1 < 28.6788908686  and attr store1 > 27.8788908686 ))) 
6 0.1 0.1 peak 1541 volume 15.40863 ppm1 2.244 ppm2 3.591
 
! ############### c13noe.1542 folded +
assi (attr store1 < 3.579 and attr store1 > 3.479 )
     ((attr store1 < 2.141 and attr store1 > 2.081 ) and 
      (bondedto (attr store1 < 124.096109131  and attr store1 > 123.296109131 ) or 
       bondedto (attr store1 < 76.372  and attr store1 > 75.572 ) or 
       bondedto (attr store1 < 28.6478908686  and attr store1 > 27.8478908686 ))) 
6 0.1 0.1 peak 1542 volume 13.26950 ppm1 2.111 ppm2 3.529
 
! ############### c13noe.1543 folded +
assi (attr store1 < 4.035 and attr store1 > 3.935 )
     ((attr store1 < 2.132 and attr store1 > 2.072 ) and 
      (bondedto (attr store1 < 124.103109131  and attr store1 > 123.303109131 ) or 
       bondedto (attr store1 < 76.379  and attr store1 > 75.579 ) or 
       bondedto (attr store1 < 28.6548908686  and attr store1 > 27.8548908686 ))) 
6 0.1 0.1 peak 1543 volume 14.17466 ppm1 2.102 ppm2 3.985
 
! ############### c13noe.1544 folded +
assi (attr store1 < 4.038 and attr store1 > 3.938 )
     ((attr store1 < 2.082 and attr store1 > 2.022 ) and 
      (bondedto (attr store1 < 124.067109131  and attr store1 > 123.267109131 ) or 
       bondedto (attr store1 < 76.343  and attr store1 > 75.543 ) or 
       bondedto (attr store1 < 28.6188908686  and attr store1 > 27.8188908686 ))) 
6 0.1 0.1 peak 1544 volume 9.81454 ppm1 2.052 ppm2 3.988
 
! ############### c13noe.1545 folded +
assi (attr store1 < 3.813 and attr store1 > 3.713 )
     ((attr store1 < 2.053 and attr store1 > 1.993 ) and 
      (bondedto (attr store1 < 124.126109131  and attr store1 > 123.326109131 ) or 
       bondedto (attr store1 < 76.402  and attr store1 > 75.602 ) or 
       bondedto (attr store1 < 28.6778908686  and attr store1 > 27.8778908686 ))) 
6 0.1 0.1 peak 1545 volume 8.37490 ppm1 2.023 ppm2 3.763
 
! ############### c13noe.1546 folded +
assi (attr store1 < 4.309 and attr store1 > 4.209 )
     ((attr store1 < 2.046 and attr store1 > 1.986 ) and 
      (bondedto (attr store1 < 124.125109131  and attr store1 > 123.325109131 ) or 
       bondedto (attr store1 < 76.401  and attr store1 > 75.601 ) or 
       bondedto (attr store1 < 28.6768908686  and attr store1 > 27.8768908686 ))) 
6 0.1 0.1 peak 1546 volume 11.33062 ppm1 2.016 ppm2 4.259
 
! ############### c13noe.1547 folded +
assi (attr store1 < 3.73 and attr store1 > 3.63 )
     ((attr store1 < 2.049 and attr store1 > 1.989 ) and 
      (bondedto (attr store1 < 124.143109131  and attr store1 > 123.343109131 ) or 
       bondedto (attr store1 < 76.419  and attr store1 > 75.619 ) or 
       bondedto (attr store1 < 28.6948908686  and attr store1 > 27.8948908686 ))) 
6 0.1 0.1 peak 1547 volume 16.39212 ppm1 2.019 ppm2 3.680
 
! ############### c13noe.1548 folded +
assi (attr store1 < 1.374 and attr store1 > 1.274 )
     ((attr store1 < 2.059 and attr store1 > 1.999 ) and 
      (bondedto (attr store1 < 123.972109131  and attr store1 > 123.172109131 ) or 
       bondedto (attr store1 < 76.248  and attr store1 > 75.448 ) or 
       bondedto (attr store1 < 28.5238908686  and attr store1 > 27.7238908686 ))) 
6 0.1 0.1 peak 1548 volume 10.43145 ppm1 2.029 ppm2 1.324
 
! ############### c13noe.1549 folded +
assi (attr store1 < 4.039 and attr store1 > 3.939 )
     ((attr store1 < 1.751 and attr store1 > 1.691 ) and 
      (bondedto (attr store1 < 123.986109131  and attr store1 > 123.186109131 ) or 
       bondedto (attr store1 < 76.262  and attr store1 > 75.462 ) or 
       bondedto (attr store1 < 28.5378908686  and attr store1 > 27.7378908686 ))) 
6 0.1 0.1 peak 1549 volume 9.53090 ppm1 1.721 ppm2 3.989
 
! ############### c13noe.1550 folded +
assi (attr store1 < 2.1 and attr store1 > 2.0 )
     ((attr store1 < 1.746 and attr store1 > 1.686 ) and 
      (bondedto (attr store1 < 123.999109131  and attr store1 > 123.199109131 ) or 
       bondedto (attr store1 < 76.275  and attr store1 > 75.475 ) or 
       bondedto (attr store1 < 28.5508908686  and attr store1 > 27.7508908686 ))) 
6 0.1 0.1 peak 1550 volume 28.93415 ppm1 1.716 ppm2 2.050
 
! ############### c13noe.1551 folded +
assi (attr store1 < 3.248 and attr store1 > 3.148 )
     ((attr store1 < 1.735 and attr store1 > 1.675 ) and 
      (bondedto (attr store1 < 124.012109131  and attr store1 > 123.212109131 ) or 
       bondedto (attr store1 < 76.288  and attr store1 > 75.488 ) or 
       bondedto (attr store1 < 28.5638908686  and attr store1 > 27.7638908686 ))) 
6 0.1 0.1 peak 1551 volume 7.23463 ppm1 1.705 ppm2 3.198
 
! ############### c13noe.1552 folded +
assi (attr store1 < 7.945 and attr store1 > 7.845 )
     ((attr store1 < 1.671 and attr store1 > 1.611 ) and 
      (bondedto (attr store1 < 123.976109131  and attr store1 > 123.176109131 ) or 
       bondedto (attr store1 < 76.252  and attr store1 > 75.452 ) or 
       bondedto (attr store1 < 28.5278908686  and attr store1 > 27.7278908686 ))) 
6 0.1 0.1 peak 1552 volume 27.18243 ppm1 1.641 ppm2 7.895
 
! ############### c13noe.1553 folded +
assi (attr store1 < 1.376 and attr store1 > 1.276 )
     ((attr store1 < 1.67 and attr store1 > 1.61 ) and 
      (bondedto (attr store1 < 123.966109131  and attr store1 > 123.166109131 ) or 
       bondedto (attr store1 < 76.242  and attr store1 > 75.442 ) or 
       bondedto (attr store1 < 28.5178908686  and attr store1 > 27.7178908686 ))) 
6 0.1 0.1 peak 1553 volume 197.17657 ppm1 1.640 ppm2 1.326
 
! ############### c13noe.1554 folded +
assi (attr store1 < 7.944 and attr store1 > 7.844 )
     ((attr store1 < 1.355 and attr store1 > 1.295 ) and 
      (bondedto (attr store1 < 123.984109131  and attr store1 > 123.184109131 ) or 
       bondedto (attr store1 < 76.26  and attr store1 > 75.46 ) or 
       bondedto (attr store1 < 28.5358908686  and attr store1 > 27.7358908686 ))) 
6 0.1 0.1 peak 1554 volume 21.08779 ppm1 1.325 ppm2 7.894
 
! ############### c13noe.1555 folded +
assi (attr store1 < 4.181 and attr store1 > 4.081 )
     ((attr store1 < 1.355 and attr store1 > 1.295 ) and 
      (bondedto (attr store1 < 123.998109131  and attr store1 > 123.198109131 ) or 
       bondedto (attr store1 < 76.274  and attr store1 > 75.474 ) or 
       bondedto (attr store1 < 28.5498908686  and attr store1 > 27.7498908686 ))) 
6 0.1 0.1 peak 1555 volume 22.95062 ppm1 1.325 ppm2 4.131
 
! ############### c13noe.1556 folded +
assi (attr store1 < 2.078 and attr store1 > 1.978 )
     ((attr store1 < 1.356 and attr store1 > 1.296 ) and 
      (bondedto (attr store1 < 123.979109131  and attr store1 > 123.179109131 ) or 
       bondedto (attr store1 < 76.255  and attr store1 > 75.455 ) or 
       bondedto (attr store1 < 28.5308908686  and attr store1 > 27.7308908686 ))) 
6 0.1 0.1 peak 1556 volume 21.44245 ppm1 1.326 ppm2 2.028
 
! ############### c13noe.1557 folded +
assi (attr store1 < 1.689 and attr store1 > 1.589 )
     ((attr store1 < 1.355 and attr store1 > 1.295 ) and 
      (bondedto (attr store1 < 123.981109131  and attr store1 > 123.181109131 ) or 
       bondedto (attr store1 < 76.257  and attr store1 > 75.457 ) or 
       bondedto (attr store1 < 28.5328908686  and attr store1 > 27.7328908686 ))) 
6 0.1 0.1 peak 1557 volume 194.34224 ppm1 1.325 ppm2 1.639
 
! ############### c13noe.1558 folded +
assi (attr store1 < 3.211 and attr store1 > 3.111 )
     ((attr store1 < 3.278 and attr store1 > 3.218 ) and 
      (bondedto (attr store1 < 123.912109131  and attr store1 > 123.112109131 ) or 
       bondedto (attr store1 < 76.188  and attr store1 > 75.388 ) or 
       bondedto (attr store1 < 28.4638908686  and attr store1 > 27.6638908686 ))) 
6 0.1 0.1 peak 1558 volume 25.21767 ppm1 3.248 ppm2 3.161
 
! ############### c13noe.1559 folded +
assi (attr store1 < 3.298 and attr store1 > 3.198 )
     ((attr store1 < 3.193 and attr store1 > 3.133 ) and 
      (bondedto (attr store1 < 123.945109131  and attr store1 > 123.145109131 ) or 
       bondedto (attr store1 < 76.221  and attr store1 > 75.421 ) or 
       bondedto (attr store1 < 28.4968908686  and attr store1 > 27.6968908686 ))) 
6 0.1 0.1 peak 1559 volume 19.88687 ppm1 3.163 ppm2 3.248
 
! ############### c13noe.1560 folded +
assi (attr store1 < 2.083 and attr store1 > 1.983 )
     ((attr store1 < 1.674 and attr store1 > 1.614 ) and 
      (bondedto (attr store1 < 123.941109131  and attr store1 > 123.141109131 ) or 
       bondedto (attr store1 < 76.217  and attr store1 > 75.417 ) or 
       bondedto (attr store1 < 28.4928908686  and attr store1 > 27.6928908686 ))) 
6 0.1 0.1 peak 1560 volume 36.47802 ppm1 1.644 ppm2 2.033
 
! ############### c13noe.1561 folded +
assi (attr store1 < 1.038 and attr store1 > 0.938 )
     ((attr store1 < 1.673 and attr store1 > 1.613 ) and 
      (bondedto (attr store1 < 123.927109131  and attr store1 > 123.127109131 ) or 
       bondedto (attr store1 < 76.203  and attr store1 > 75.403 ) or 
       bondedto (attr store1 < 28.4788908686  and attr store1 > 27.6788908686 ))) 
6 0.1 0.1 peak 1561 volume 35.57658 ppm1 1.643 ppm2 0.988
 
! ############### c13noe.1562 folded +
assi (attr store1 < 0.968 and attr store1 > 0.868 )
     ((attr store1 < 1.673 and attr store1 > 1.613 ) and 
      (bondedto (attr store1 < 123.948109131  and attr store1 > 123.148109131 ) or 
       bondedto (attr store1 < 76.224  and attr store1 > 75.424 ) or 
       bondedto (attr store1 < 28.4998908686  and attr store1 > 27.6998908686 ))) 
6 0.1 0.1 peak 1562 volume 76.02555 ppm1 1.643 ppm2 0.918
 
! ############### c13noe.1563 folded +
assi (attr store1 < 4.183 and attr store1 > 4.083 )
     ((attr store1 < 1.669 and attr store1 > 1.609 ) and 
      (bondedto (attr store1 < 123.959109131  and attr store1 > 123.159109131 ) or 
       bondedto (attr store1 < 76.235  and attr store1 > 75.435 ) or 
       bondedto (attr store1 < 28.5108908686  and attr store1 > 27.7108908686 ))) 
6 0.1 0.1 peak 1563 volume 20.13358 ppm1 1.639 ppm2 4.133
 
! ############### c13noe.1564 folded +
assi (attr store1 < 1.044 and attr store1 > 0.944 )
     ((attr store1 < 1.36 and attr store1 > 1.3 ) and 
      (bondedto (attr store1 < 123.953109131  and attr store1 > 123.153109131 ) or 
       bondedto (attr store1 < 76.229  and attr store1 > 75.429 ) or 
       bondedto (attr store1 < 28.5048908686  and attr store1 > 27.7048908686 ))) 
6 0.1 0.1 peak 1564 volume 39.77060 ppm1 1.330 ppm2 0.994
 
! ############### c13noe.1565 folded +
assi (attr store1 < 0.971 and attr store1 > 0.871 )
     ((attr store1 < 1.359 and attr store1 > 1.299 ) and 
      (bondedto (attr store1 < 123.956109131  and attr store1 > 123.156109131 ) or 
       bondedto (attr store1 < 76.232  and attr store1 > 75.432 ) or 
       bondedto (attr store1 < 28.5078908686  and attr store1 > 27.7078908686 ))) 
6 0.1 0.1 peak 1565 volume 58.20703 ppm1 1.329 ppm2 0.921
 
! ############### c13noe.1566 folded +
assi (attr store1 < 4.247 and attr store1 > 4.147 )
     ((attr store1 < 1.351 and attr store1 > 1.291 ) and 
      (bondedto (attr store1 < 123.944109131  and attr store1 > 123.144109131 ) or 
       bondedto (attr store1 < 76.22  and attr store1 > 75.42 ) or 
       bondedto (attr store1 < 28.4958908686  and attr store1 > 27.6958908686 ))) 
6 0.1 0.1 peak 1566 volume 13.14705 ppm1 1.321 ppm2 4.197
 
! ############### c13noe.1567 folded -
assi (attr store1 < 3.91 and attr store1 > 3.81 )
     ((attr store1 < 3.813 and attr store1 > 3.753 ) and 
      (bondedto (attr store1 < 100.023054566  and attr store1 > 99.2230545657 ) or 
       bondedto (attr store1 < 147.747163697  and attr store1 > 146.947163697) or 
       bondedto (attr store1 < 52.2989454343  and attr store1 > 51.4989454343 ))) 
6 0.1 0.1 peak 1567 volume 31.17137 ppm1 3.783 ppm2 3.860
 
! ############### c13noe.1568 folded +
assi (attr store1 < 3.867 and attr store1 > 3.767 )
     ((attr store1 < 2.158 and attr store1 > 2.098 ) and 
      (bondedto (attr store1 < 123.805109131  and attr store1 > 123.005109131 ) or 
       bondedto (attr store1 < 76.081  and attr store1 > 75.281 ) or 
       bondedto (attr store1 < 28.3568908686  and attr store1 > 27.5568908686 ))) 
6 0.1 0.1 peak 1568 volume 20.27851 ppm1 2.128 ppm2 3.817
 
! ############### c13noe.1569 folded +
assi (attr store1 < 2.174 and attr store1 > 2.074 )
     ((attr store1 < 2.007 and attr store1 > 1.947 ) and 
      (bondedto (attr store1 < 123.801109131  and attr store1 > 123.001109131 ) or 
       bondedto (attr store1 < 76.077  and attr store1 > 75.277 ) or 
       bondedto (attr store1 < 28.3528908686  and attr store1 > 27.5528908686 ))) 
6 0.1 0.1 peak 1569 volume 67.53205 ppm1 1.977 ppm2 2.124
 
! ############### c13noe.1570 folded +
assi (attr store1 < 3.88 and attr store1 > 3.78 )
     ((attr store1 < 2.004 and attr store1 > 1.944 ) and 
      (bondedto (attr store1 < 123.781109131  and attr store1 > 122.981109131 ) or 
       bondedto (attr store1 < 76.057  and attr store1 > 75.257 ) or 
       bondedto (attr store1 < 28.3328908686  and attr store1 > 27.5328908686 ))) 
6 0.1 0.1 peak 1570 volume 15.54539 ppm1 1.974 ppm2 3.830
 
! ############### c13noe.1571 folded +
assi (attr store1 < 0.998 and attr store1 > 0.898 )
     ((attr store1 < 1.752 and attr store1 > 1.692 ) and 
      (bondedto (attr store1 < 123.856109131  and attr store1 > 123.056109131 ) or 
       bondedto (attr store1 < 76.132  and attr store1 > 75.332 ) or 
       bondedto (attr store1 < 28.4078908686  and attr store1 > 27.6078908686 ))) 
6 0.1 0.1 peak 1571 volume 16.23438 ppm1 1.722 ppm2 0.948
 
! ############### c13noe.1572 folded +
assi (attr store1 < 2.211 and attr store1 > 2.111 )
     ((attr store1 < 1.518 and attr store1 > 1.458 ) and 
      (bondedto (attr store1 < 123.811109131  and attr store1 > 123.011109131 ) or 
       bondedto (attr store1 < 76.087  and attr store1 > 75.287 ) or 
       bondedto (attr store1 < 28.3628908686  and attr store1 > 27.5628908686 ))) 
6 0.1 0.1 peak 1572 volume 11.05906 ppm1 1.488 ppm2 2.161
 
! ############### c13noe.1573 folded +
assi (attr store1 < 7.744 and attr store1 > 7.644 )
     ((attr store1 < 1.508 and attr store1 > 1.448 ) and 
      (bondedto (attr store1 < 123.788109131  and attr store1 > 122.988109131 ) or 
       bondedto (attr store1 < 76.064  and attr store1 > 75.264 ) or 
       bondedto (attr store1 < 28.3398908686  and attr store1 > 27.5398908686 ))) 
6 0.1 0.1 peak 1573 volume 7.78376 ppm1 1.478 ppm2 7.694
 
! ############### c13noe.1574 folded +
assi (attr store1 < 4.229 and attr store1 > 4.129 )
     ((attr store1 < 1.501 and attr store1 > 1.441 ) and 
      (bondedto (attr store1 < 123.803109131  and attr store1 > 123.003109131 ) or 
       bondedto (attr store1 < 76.079  and attr store1 > 75.279 ) or 
       bondedto (attr store1 < 28.3548908686  and attr store1 > 27.5548908686 ))) 
6 0.1 0.1 peak 1574 volume 10.06253 ppm1 1.471 ppm2 4.179
 
! ############### c13noe.1575 folded +
assi (attr store1 < 2.224 and attr store1 > 2.124 )
     ((attr store1 < 1.09 and attr store1 > 1.03 ) and 
      (bondedto (attr store1 < 123.781109131  and attr store1 > 122.981109131 ) or 
       bondedto (attr store1 < 76.057  and attr store1 > 75.257 ) or 
       bondedto (attr store1 < 28.3328908686  and attr store1 > 27.5328908686 ))) 
6 0.1 0.1 peak 1575 volume 11.40897 ppm1 1.060 ppm2 2.174
 
! ############### c13noe.1576 folded +
assi (attr store1 < 1.546 and attr store1 > 1.446 )
     ((attr store1 < 0.999 and attr store1 > 0.939 ) and 
      (bondedto (attr store1 < 123.832109131  and attr store1 > 123.032109131 ) or 
       bondedto (attr store1 < 76.108  and attr store1 > 75.308 ) or 
       bondedto (attr store1 < 28.3838908686  and attr store1 > 27.5838908686 ))) 
6 0.1 0.1 peak 1576 volume 17.04798 ppm1 0.969 ppm2 1.496
 
! ############### c13noe.1577 folded +
assi (attr store1 < 1.189 and attr store1 > 1.089 )
     ((attr store1 < 2.157 and attr store1 > 2.097 ) and 
      (bondedto (attr store1 < 123.758109131  and attr store1 > 122.958109131 ) or 
       bondedto (attr store1 < 76.034  and attr store1 > 75.234 ) or 
       bondedto (attr store1 < 28.3098908686  and attr store1 > 27.5098908686 ))) 
6 0.1 0.1 peak 1577 volume 8.99160 ppm1 2.127 ppm2 1.139
 
! ############### c13noe.1578 folded +
assi (attr store1 < 3.306 and attr store1 > 3.206 )
     ((attr store1 < 1.754 and attr store1 > 1.694 ) and 
      (bondedto (attr store1 < 123.705109131  and attr store1 > 122.905109131 ) or 
       bondedto (attr store1 < 75.981  and attr store1 > 75.181 ) or 
       bondedto (attr store1 < 28.2568908686  and attr store1 > 27.4568908686 ))) 
6 0.1 0.1 peak 1578 volume 8.96682 ppm1 1.724 ppm2 3.256
 
! ############### c13noe.1579 folded +
assi (attr store1 < 7.587 and attr store1 > 7.487 )
     ((attr store1 < 1.695 and attr store1 > 1.635 ) and 
      (bondedto (attr store1 < 123.723109131  and attr store1 > 122.923109131 ) or 
       bondedto (attr store1 < 75.999  and attr store1 > 75.199 ) or 
       bondedto (attr store1 < 28.2748908686  and attr store1 > 27.4748908686 ))) 
6 0.1 0.1 peak 1579 volume 7.23085 ppm1 1.665 ppm2 7.537
 
! ############### c13noe.1580 folded +
assi (attr store1 < 4.393 and attr store1 > 4.293 )
     ((attr store1 < 1.691 and attr store1 > 1.631 ) and 
      (bondedto (attr store1 < 123.739109131  and attr store1 > 122.939109131 ) or 
       bondedto (attr store1 < 76.015  and attr store1 > 75.215 ) or 
       bondedto (attr store1 < 28.2908908686  and attr store1 > 27.4908908686 ))) 
6 0.1 0.1 peak 1580 volume 7.80936 ppm1 1.661 ppm2 4.343
 
! ############### c13noe.1581 folded +
assi (attr store1 < 7.799 and attr store1 > 7.699 )
     ((attr store1 < 1.095 and attr store1 > 1.035 ) and 
      (bondedto (attr store1 < 123.736109131  and attr store1 > 122.936109131 ) or 
       bondedto (attr store1 < 76.012  and attr store1 > 75.212 ) or 
       bondedto (attr store1 < 28.2878908686  and attr store1 > 27.4878908686 ))) 
6 0.1 0.1 peak 1581 volume 8.59330 ppm1 1.065 ppm2 7.749
 
! ############### c13noe.1582 folded +
assi (attr store1 < 8.404 and attr store1 > 8.304 )
     ((attr store1 < 1.092 and attr store1 > 1.032 ) and 
      (bondedto (attr store1 < 123.756109131  and attr store1 > 122.956109131 ) or 
       bondedto (attr store1 < 76.032  and attr store1 > 75.232 ) or 
       bondedto (attr store1 < 28.3078908686  and attr store1 > 27.5078908686 ))) 
6 0.1 0.1 peak 1582 volume 8.34940 ppm1 1.062 ppm2 8.354
 
! ############### c13noe.1583 folded +
assi (attr store1 < 7.152 and attr store1 > 7.052 )
     ((attr store1 < 1.091 and attr store1 > 1.031 ) and 
      (bondedto (attr store1 < 123.740109131  and attr store1 > 122.940109131 ) or 
       bondedto (attr store1 < 76.016  and attr store1 > 75.216 ) or 
       bondedto (attr store1 < 28.2918908686  and attr store1 > 27.4918908686 ))) 
6 0.1 0.1 peak 1583 volume 30.04676 ppm1 1.061 ppm2 7.102
 
! ############### c13noe.1584 folded +
assi (attr store1 < 6.938 and attr store1 > 6.838 )
     ((attr store1 < 1.092 and attr store1 > 1.032 ) and 
      (bondedto (attr store1 < 123.730109131  and attr store1 > 122.930109131 ) or 
       bondedto (attr store1 < 76.006  and attr store1 > 75.206 ) or 
       bondedto (attr store1 < 28.2818908686  and attr store1 > 27.4818908686 ))) 
6 0.1 0.1 peak 1584 volume 14.73870 ppm1 1.062 ppm2 6.888
 
! ############### c13noe.1585 folded +
assi (attr store1 < 4.735 and attr store1 > 4.635 )
     ((attr store1 < 1.092 and attr store1 > 1.032 ) and 
      (bondedto (attr store1 < 123.776109131  and attr store1 > 122.976109131 ) or 
       bondedto (attr store1 < 76.052  and attr store1 > 75.252 ) or 
       bondedto (attr store1 < 28.3278908686  and attr store1 > 27.5278908686 ))) 
6 0.1 0.1 peak 1585 volume 8.83189 ppm1 1.062 ppm2 4.685
 
! ############### c13noe.1586 folded +
assi (attr store1 < 3.951 and attr store1 > 3.851 )
     ((attr store1 < 1.092 and attr store1 > 1.032 ) and 
      (bondedto (attr store1 < 123.758109131  and attr store1 > 122.958109131 ) or 
       bondedto (attr store1 < 76.034  and attr store1 > 75.234 ) or 
       bondedto (attr store1 < 28.3098908686  and attr store1 > 27.5098908686 ))) 
6 0.1 0.1 peak 1586 volume 17.54976 ppm1 1.062 ppm2 3.901
 
! ############### c13noe.1587 folded +
assi (attr store1 < 3.07 and attr store1 > 2.97 )
     ((attr store1 < 1.09 and attr store1 > 1.03 ) and 
      (bondedto (attr store1 < 123.744109131  and attr store1 > 122.944109131 ) or 
       bondedto (attr store1 < 76.02  and attr store1 > 75.22 ) or 
       bondedto (attr store1 < 28.2958908686  and attr store1 > 27.4958908686 ))) 
6 0.1 0.1 peak 1587 volume 9.60029 ppm1 1.060 ppm2 3.020
 
! ############### c13noe.1588 folded +
assi (attr store1 < 1.953 and attr store1 > 1.853 )
     ((attr store1 < 1.091 and attr store1 > 1.031 ) and 
      (bondedto (attr store1 < 123.751109131  and attr store1 > 122.951109131 ) or 
       bondedto (attr store1 < 76.027  and attr store1 > 75.227 ) or 
       bondedto (attr store1 < 28.3028908686  and attr store1 > 27.5028908686 ))) 
6 0.1 0.1 peak 1588 volume 35.98103 ppm1 1.061 ppm2 1.903
 
! ############### c13noe.1589 folded +
assi (attr store1 < 1.573 and attr store1 > 1.473 )
     ((attr store1 < 1.092 and attr store1 > 1.032 ) and 
      (bondedto (attr store1 < 123.748109131  and attr store1 > 122.948109131 ) or 
       bondedto (attr store1 < 76.024  and attr store1 > 75.224 ) or 
       bondedto (attr store1 < 28.2998908686  and attr store1 > 27.4998908686 ))) 
6 0.1 0.1 peak 1589 volume 38.28349 ppm1 1.062 ppm2 1.523
 
! ############### c13noe.1590 folded +
assi (attr store1 < 0.956 and attr store1 > 0.856 )
     ((attr store1 < 1.091 and attr store1 > 1.031 ) and 
      (bondedto (attr store1 < 123.764109131  and attr store1 > 122.964109131 ) or 
       bondedto (attr store1 < 76.04  and attr store1 > 75.24 ) or 
       bondedto (attr store1 < 28.3158908686  and attr store1 > 27.5158908686 ))) 
6 0.1 0.1 peak 1590 volume 105.21389 ppm1 1.061 ppm2 0.906
 
! ############### c13noe.1591 folded +
assi (attr store1 < 0.858 and attr store1 > 0.758 )
     ((attr store1 < 1.091 and attr store1 > 1.031 ) and 
      (bondedto (attr store1 < 123.752109131  and attr store1 > 122.952109131 ) or 
       bondedto (attr store1 < 76.028  and attr store1 > 75.228 ) or 
       bondedto (attr store1 < 28.3038908686  and attr store1 > 27.5038908686 ))) 
6 0.1 0.1 peak 1591 volume 37.21825 ppm1 1.061 ppm2 0.808
 
! ############### c13noe.1592 folded +
assi (attr store1 < 2.432 and attr store1 > 2.332 )
     ((attr store1 < 1.089 and attr store1 > 1.029 ) and 
      (bondedto (attr store1 < 123.741109131  and attr store1 > 122.941109131 ) or 
       bondedto (attr store1 < 76.017  and attr store1 > 75.217 ) or 
       bondedto (attr store1 < 28.2928908686  and attr store1 > 27.4928908686 ))) 
6 0.1 0.1 peak 1592 volume 23.52070 ppm1 1.059 ppm2 2.382
 
! ############### c13noe.1593 folded -
assi (attr store1 < 3.716 and attr store1 > 3.616 )
     ((attr store1 < 3.866 and attr store1 > 3.806 ) and 
      (bondedto (attr store1 < 99.8750545657  and attr store1 > 99.0750545657 ) or 
       bondedto (attr store1 < 147.599163697  and attr store1 > 146.799163697) or 
       bondedto (attr store1 < 52.1509454343  and attr store1 > 51.3509454343 ))) 
6 0.1 0.1 peak 1593 volume 75.34472 ppm1 3.836 ppm2 3.666
 
! ############### c13noe.1594 folded -
assi (attr store1 < 3.886 and attr store1 > 3.786 )
     ((attr store1 < 3.701 and attr store1 > 3.641 ) and 
      (bondedto (attr store1 < 99.8400545657  and attr store1 > 99.0400545657 ) or 
       bondedto (attr store1 < 147.564163697  and attr store1 > 146.764163697) or 
       bondedto (attr store1 < 52.1159454343  and attr store1 > 51.3159454343 ))) 
6 0.1 0.1 peak 1594 volume 90.33023 ppm1 3.671 ppm2 3.836
 
! ############### c13noe.1595 folded -
assi (attr store1 < 1.774 and attr store1 > 1.674 )
     ((attr store1 < 3.266 and attr store1 > 3.206 ) and 
      (bondedto (attr store1 < 99.8590545657  and attr store1 > 99.0590545657 ) or 
       bondedto (attr store1 < 147.583163697  and attr store1 > 146.783163697) or 
       bondedto (attr store1 < 52.1349454343  and attr store1 > 51.3349454343 ))) 
6 0.1 0.1 peak 1595 volume 8.08523 ppm1 3.236 ppm2 1.724
 
! ############### c13noe.1596 folded +
assi (attr store1 < 1.702 and attr store1 > 1.602 )
     ((attr store1 < 1.478 and attr store1 > 1.418 ) and 
      (bondedto (attr store1 < 123.664109131  and attr store1 > 122.864109131 ) or 
       bondedto (attr store1 < 75.94  and attr store1 > 75.14 ) or 
       bondedto (attr store1 < 28.2158908686  and attr store1 > 27.4158908686 ))) 
6 0.1 0.1 peak 1596 volume 20.72586 ppm1 1.448 ppm2 1.652
 
! ############### c13noe.1597 folded -
assi (attr store1 < 3.897 and attr store1 > 3.797 )
     ((attr store1 < 3.934 and attr store1 > 3.874 ) and 
      (bondedto (attr store1 < 99.7320545657  and attr store1 > 98.9320545657 ) or 
       bondedto (attr store1 < 147.456163697  and attr store1 > 146.656163697) or 
       bondedto (attr store1 < 52.0079454343  and attr store1 > 51.2079454343 ))) 
6 0.1 0.1 peak 1597 volume 32.41278 ppm1 3.904 ppm2 3.847
 
! ############### c13noe.1598 folded +
assi (attr store1 < 2.365 and attr store1 > 2.265 )
     ((attr store1 < 1.944 and attr store1 > 1.884 ) and 
      (bondedto (attr store1 < 123.537109131  and attr store1 > 122.737109131 ) or 
       bondedto (attr store1 < 75.813  and attr store1 > 75.013 ) or 
       bondedto (attr store1 < 28.0888908686  and attr store1 > 27.2888908686 ))) 
6 0.1 0.1 peak 1598 volume 21.85205 ppm1 1.914 ppm2 2.315
 
! ############### c13noe.1599 folded +
assi (attr store1 < 4.21 and attr store1 > 4.11 )
     ((attr store1 < 1.248 and attr store1 > 1.188 ) and 
      (bondedto (attr store1 < 123.517109131  and attr store1 > 122.717109131 ) or 
       bondedto (attr store1 < 75.793  and attr store1 > 74.993 ) or 
       bondedto (attr store1 < 28.0688908686  and attr store1 > 27.2688908686 ))) 
6 0.1 0.1 peak 1599 volume 14.69326 ppm1 1.218 ppm2 4.160
 
! ############### c13noe.1600 folded +
assi (attr store1 < 8.106 and attr store1 > 8.006 )
     ((attr store1 < 1.243 and attr store1 > 1.183 ) and 
      (bondedto (attr store1 < 123.506109131  and attr store1 > 122.706109131 ) or 
       bondedto (attr store1 < 75.782  and attr store1 > 74.982 ) or 
       bondedto (attr store1 < 28.0578908686  and attr store1 > 27.2578908686 ))) 
6 0.1 0.1 peak 1600 volume 14.60459 ppm1 1.213 ppm2 8.056
 
! ############### c13noe.1601 folded -
assi (attr store1 < 3.21 and attr store1 > 3.11 )
     ((attr store1 < 3.28 and attr store1 > 3.22 ) and 
      (bondedto (attr store1 < 99.6380545657  and attr store1 > 98.8380545657 ) or 
       bondedto (attr store1 < 147.362163697  and attr store1 > 146.562163697) or 
       bondedto (attr store1 < 51.9139454343  and attr store1 > 51.1139454343 ))) 
6 0.1 0.1 peak 1601 volume 25.32788 ppm1 3.250 ppm2 3.160
 
! ############### c13noe.1602 folded +
assi (attr store1 < 3.923 and attr store1 > 3.823 )
     ((attr store1 < 2.239 and attr store1 > 2.179 ) and 
      (bondedto (attr store1 < 123.470109131  and attr store1 > 122.670109131 ) or 
       bondedto (attr store1 < 75.746  and attr store1 > 74.946 ) or 
       bondedto (attr store1 < 28.0218908686  and attr store1 > 27.2218908686 ))) 
6 0.1 0.1 peak 1602 volume 12.91686 ppm1 2.209 ppm2 3.873
 
! ############### c13noe.1603 folded +
assi (attr store1 < 2.398 and attr store1 > 2.298 )
     ((attr store1 < 2.234 and attr store1 > 2.174 ) and 
      (bondedto (attr store1 < 123.464109131  and attr store1 > 122.664109131 ) or 
       bondedto (attr store1 < 75.74  and attr store1 > 74.94 ) or 
       bondedto (attr store1 < 28.0158908686  and attr store1 > 27.2158908686 ))) 
6 0.1 0.1 peak 1603 volume 23.34440 ppm1 2.204 ppm2 2.348
 
! ############### c13noe.1604 folded +
assi (attr store1 < 3.802 and attr store1 > 3.702 )
     ((attr store1 < 2.229 and attr store1 > 2.169 ) and 
      (bondedto (attr store1 < 123.449109131  and attr store1 > 122.649109131 ) or 
       bondedto (attr store1 < 75.725  and attr store1 > 74.925 ) or 
       bondedto (attr store1 < 28.0008908686  and attr store1 > 27.2008908686 ))) 
6 0.1 0.1 peak 1604 volume 12.17763 ppm1 2.199 ppm2 3.752
 
! ############### c13noe.1605 folded +
assi (attr store1 < 1.967 and attr store1 > 1.867 )
     ((attr store1 < 2.232 and attr store1 > 2.172 ) and 
      (bondedto (attr store1 < 123.461109131  and attr store1 > 122.661109131 ) or 
       bondedto (attr store1 < 75.737  and attr store1 > 74.937 ) or 
       bondedto (attr store1 < 28.0128908686  and attr store1 > 27.2128908686 ))) 
6 0.1 0.1 peak 1605 volume 40.68563 ppm1 2.202 ppm2 1.917
 
! ############### c13noe.1606 folded +
assi (attr store1 < 3.887 and attr store1 > 3.787 )
     ((attr store1 < 2.074 and attr store1 > 2.014 ) and 
      (bondedto (attr store1 < 123.420109131  and attr store1 > 122.620109131 ) or 
       bondedto (attr store1 < 75.696  and attr store1 > 74.896 ) or 
       bondedto (attr store1 < 27.9718908686  and attr store1 > 27.1718908686 ))) 
6 0.1 0.1 peak 1606 volume 60.81033 ppm1 2.044 ppm2 3.837
 
! ############### c13noe.1607 folded +
assi (attr store1 < 4.504 and attr store1 > 4.404 )
     ((attr store1 < 2.07 and attr store1 > 2.01 ) and 
      (bondedto (attr store1 < 123.424109131  and attr store1 > 122.624109131 ) or 
       bondedto (attr store1 < 75.7  and attr store1 > 74.9 ) or 
       bondedto (attr store1 < 27.9758908686  and attr store1 > 27.1758908686 ))) 
6 0.1 0.1 peak 1607 volume 11.52719 ppm1 2.040 ppm2 4.454
 
! ############### c13noe.1608 folded +
assi (attr store1 < 3.927 and attr store1 > 3.827 )
     ((attr store1 < 1.948 and attr store1 > 1.888 ) and 
      (bondedto (attr store1 < 123.446109131  and attr store1 > 122.646109131 ) or 
       bondedto (attr store1 < 75.722  and attr store1 > 74.922 ) or 
       bondedto (attr store1 < 27.9978908686  and attr store1 > 27.1978908686 ))) 
6 0.1 0.1 peak 1608 volume 10.67764 ppm1 1.918 ppm2 3.877
 
! ############### c13noe.1609 folded +
assi (attr store1 < 3.802 and attr store1 > 3.702 )
     ((attr store1 < 1.944 and attr store1 > 1.884 ) and 
      (bondedto (attr store1 < 123.484109131  and attr store1 > 122.684109131 ) or 
       bondedto (attr store1 < 75.76  and attr store1 > 74.96 ) or 
       bondedto (attr store1 < 28.0358908686  and attr store1 > 27.2358908686 ))) 
6 0.1 0.1 peak 1609 volume 8.98540 ppm1 1.914 ppm2 3.752
 
! ############### c13noe.1610 folded +
assi (attr store1 < 2.385 and attr store1 > 2.285 )
     ((attr store1 < 1.944 and attr store1 > 1.884 ) and 
      (bondedto (attr store1 < 123.460109131  and attr store1 > 122.660109131 ) or 
       bondedto (attr store1 < 75.736  and attr store1 > 74.936 ) or 
       bondedto (attr store1 < 28.0118908686  and attr store1 > 27.2118908686 ))) 
6 0.1 0.1 peak 1610 volume 21.64272 ppm1 1.914 ppm2 2.335
 
! ############### c13noe.1611 folded +
assi (attr store1 < 2.248 and attr store1 > 2.148 )
     ((attr store1 < 1.943 and attr store1 > 1.883 ) and 
      (bondedto (attr store1 < 123.431109131  and attr store1 > 122.631109131 ) or 
       bondedto (attr store1 < 75.707  and attr store1 > 74.907 ) or 
       bondedto (attr store1 < 27.9828908686  and attr store1 > 27.1828908686 ))) 
6 0.1 0.1 peak 1611 volume 39.26933 ppm1 1.913 ppm2 2.198
 
! ############### c13noe.1612 folded +
assi (attr store1 < 4.234 and attr store1 > 4.134 )
     ((attr store1 < 1.898 and attr store1 > 1.838 ) and 
      (bondedto (attr store1 < 123.429109131  and attr store1 > 122.629109131 ) or 
       bondedto (attr store1 < 75.705  and attr store1 > 74.905 ) or 
       bondedto (attr store1 < 27.9808908686  and attr store1 > 27.1808908686 ))) 
6 0.1 0.1 peak 1612 volume 8.35942 ppm1 1.868 ppm2 4.184
 
! ############### c13noe.1613 folded +
assi (attr store1 < 7.319 and attr store1 > 7.219 )
     ((attr store1 < 1.894 and attr store1 > 1.834 ) and 
      (bondedto (attr store1 < 123.460109131  and attr store1 > 122.660109131 ) or 
       bondedto (attr store1 < 75.736  and attr store1 > 74.936 ) or 
       bondedto (attr store1 < 28.0118908686  and attr store1 > 27.2118908686 ))) 
6 0.1 0.1 peak 1613 volume 10.83232 ppm1 1.864 ppm2 7.269
 
! ############### c13noe.1614 folded +
assi (attr store1 < 0.939 and attr store1 > 0.839 )
     ((attr store1 < 1.893 and attr store1 > 1.833 ) and 
      (bondedto (attr store1 < 123.442109131  and attr store1 > 122.642109131 ) or 
       bondedto (attr store1 < 75.718  and attr store1 > 74.918 ) or 
       bondedto (attr store1 < 27.9938908686  and attr store1 > 27.1938908686 ))) 
6 0.1 0.1 peak 1614 volume 83.46660 ppm1 1.863 ppm2 0.889
 
! ############### c13noe.1615 folded +
assi (attr store1 < 1.449 and attr store1 > 1.349 )
     ((attr store1 < 1.664 and attr store1 > 1.604 ) and 
      (bondedto (attr store1 < 123.416109131  and attr store1 > 122.616109131 ) or 
       bondedto (attr store1 < 75.692  and attr store1 > 74.892 ) or 
       bondedto (attr store1 < 27.9678908686  and attr store1 > 27.1678908686 ))) 
6 0.1 0.1 peak 1615 volume 7.73290 ppm1 1.634 ppm2 1.399
 
! ############### c13noe.1616 folded +
assi (attr store1 < 7.862 and attr store1 > 7.762 )
     ((attr store1 < 1.59 and attr store1 > 1.53 ) and 
      (bondedto (attr store1 < 123.430109131  and attr store1 > 122.630109131 ) or 
       bondedto (attr store1 < 75.706  and attr store1 > 74.906 ) or 
       bondedto (attr store1 < 27.9818908686  and attr store1 > 27.1818908686 ))) 
6 0.1 0.1 peak 1616 volume 11.77906 ppm1 1.560 ppm2 7.812
 
! ############### c13noe.1617 folded +
assi (attr store1 < 4.324 and attr store1 > 4.224 )
     ((attr store1 < 1.593 and attr store1 > 1.533 ) and 
      (bondedto (attr store1 < 123.456109131  and attr store1 > 122.656109131 ) or 
       bondedto (attr store1 < 75.732  and attr store1 > 74.932 ) or 
       bondedto (attr store1 < 28.0078908686  and attr store1 > 27.2078908686 ))) 
6 0.1 0.1 peak 1617 volume 12.25776 ppm1 1.563 ppm2 4.274
 
! ############### c13noe.1618 folded +
assi (attr store1 < 0.761 and attr store1 > 0.661 )
     ((attr store1 < 1.593 and attr store1 > 1.533 ) and 
      (bondedto (attr store1 < 123.445109131  and attr store1 > 122.645109131 ) or 
       bondedto (attr store1 < 75.721  and attr store1 > 74.921 ) or 
       bondedto (attr store1 < 27.9968908686  and attr store1 > 27.1968908686 ))) 
6 0.1 0.1 peak 1618 volume 37.09313 ppm1 1.563 ppm2 0.711
 
! ############### c13noe.1619 folded +
assi (attr store1 < 0.706 and attr store1 > 0.606 )
     ((attr store1 < 1.589 and attr store1 > 1.529 ) and 
      (bondedto (attr store1 < 123.445109131  and attr store1 > 122.645109131 ) or 
       bondedto (attr store1 < 75.721  and attr store1 > 74.921 ) or 
       bondedto (attr store1 < 27.9968908686  and attr store1 > 27.1968908686 ))) 
6 0.1 0.1 peak 1619 volume 39.27015 ppm1 1.559 ppm2 0.656
 
! ############### c13noe.1620 folded +
assi (attr store1 < 4.208 and attr store1 > 4.108 )
     ((attr store1 < 1.481 and attr store1 > 1.421 ) and 
      (bondedto (attr store1 < 123.485109131  and attr store1 > 122.685109131 ) or 
       bondedto (attr store1 < 75.761  and attr store1 > 74.961 ) or 
       bondedto (attr store1 < 28.0368908686  and attr store1 > 27.2368908686 ))) 
6 0.1 0.1 peak 1620 volume 13.52073 ppm1 1.451 ppm2 4.158
 
! ############### c13noe.1621 folded +
assi (attr store1 < 1.939 and attr store1 > 1.839 )
     ((attr store1 < 1.479 and attr store1 > 1.419 ) and 
      (bondedto (attr store1 < 123.472109131  and attr store1 > 122.672109131 ) or 
       bondedto (attr store1 < 75.748  and attr store1 > 74.948 ) or 
       bondedto (attr store1 < 28.0238908686  and attr store1 > 27.2238908686 ))) 
6 0.1 0.1 peak 1621 volume 37.03881 ppm1 1.449 ppm2 1.889
 
! ############### c13noe.1622 folded +
assi (attr store1 < 0.937 and attr store1 > 0.837 )
     ((attr store1 < 1.481 and attr store1 > 1.421 ) and 
      (bondedto (attr store1 < 123.477109131  and attr store1 > 122.677109131 ) or 
       bondedto (attr store1 < 75.753  and attr store1 > 74.953 ) or 
       bondedto (attr store1 < 28.0288908686  and attr store1 > 27.2288908686 ))) 
6 0.1 0.1 peak 1622 volume 85.81611 ppm1 1.451 ppm2 0.887
 
! ############### c13noe.1623 folded +
assi (attr store1 < 8.1 and attr store1 > 8.0 )
     ((attr store1 < 1.477 and attr store1 > 1.417 ) and 
      (bondedto (attr store1 < 123.469109131  and attr store1 > 122.669109131 ) or 
       bondedto (attr store1 < 75.745  and attr store1 > 74.945 ) or 
       bondedto (attr store1 < 28.0208908686  and attr store1 > 27.2208908686 ))) 
6 0.1 0.1 peak 1623 volume 11.00128 ppm1 1.447 ppm2 8.050
 
! ############### c13noe.1624 folded +
assi (attr store1 < 1.937 and attr store1 > 1.837 )
     ((attr store1 < 1.246 and attr store1 > 1.186 ) and 
      (bondedto (attr store1 < 123.481109131  and attr store1 > 122.681109131 ) or 
       bondedto (attr store1 < 75.757  and attr store1 > 74.957 ) or 
       bondedto (attr store1 < 28.0328908686  and attr store1 > 27.2328908686 ))) 
6 0.1 0.1 peak 1624 volume 25.76952 ppm1 1.216 ppm2 1.887
 
! ############### c13noe.1625 folded +
assi (attr store1 < 0.945 and attr store1 > 0.845 )
     ((attr store1 < 1.243 and attr store1 > 1.183 ) and 
      (bondedto (attr store1 < 123.477109131  and attr store1 > 122.677109131 ) or 
       bondedto (attr store1 < 75.753  and attr store1 > 74.953 ) or 
       bondedto (attr store1 < 28.0288908686  and attr store1 > 27.2288908686 ))) 
6 0.1 0.1 peak 1625 volume 77.21394 ppm1 1.213 ppm2 0.895
 
! ############### c13noe.1626 folded +
assi (attr store1 < 7.844 and attr store1 > 7.744 )
     ((attr store1 < 0.919 and attr store1 > 0.859 ) and 
      (bondedto (attr store1 < 123.432109131  and attr store1 > 122.632109131 ) or 
       bondedto (attr store1 < 75.708  and attr store1 > 74.908 ) or 
       bondedto (attr store1 < 27.9838908686  and attr store1 > 27.1838908686 ))) 
6 0.1 0.1 peak 1626 volume 9.00495 ppm1 0.889 ppm2 7.794
 
! ############### c13noe.1627 folded +
assi (attr store1 < 4.158 and attr store1 > 4.058 )
     ((attr store1 < 0.914 and attr store1 > 0.854 ) and 
      (bondedto (attr store1 < 123.424109131  and attr store1 > 122.624109131 ) or 
       bondedto (attr store1 < 75.7  and attr store1 > 74.9 ) or 
       bondedto (attr store1 < 27.9758908686  and attr store1 > 27.1758908686 ))) 
6 0.1 0.1 peak 1627 volume 37.32106 ppm1 0.884 ppm2 4.108
 
! ############### c13noe.1628 folded +
assi (attr store1 < 3.911 and attr store1 > 3.811 )
     ((attr store1 < 0.915 and attr store1 > 0.855 ) and 
      (bondedto (attr store1 < 123.449109131  and attr store1 > 122.649109131 ) or 
       bondedto (attr store1 < 75.725  and attr store1 > 74.925 ) or 
       bondedto (attr store1 < 28.0008908686  and attr store1 > 27.2008908686 ))) 
6 0.1 0.1 peak 1628 volume 27.92280 ppm1 0.885 ppm2 3.861
 
! ############### c13noe.1629 folded +
assi (attr store1 < 7.681 and attr store1 > 7.581 )
     ((attr store1 < 0.912 and attr store1 > 0.852 ) and 
      (bondedto (attr store1 < 123.411109131  and attr store1 > 122.611109131 ) or 
       bondedto (attr store1 < 75.687  and attr store1 > 74.887 ) or 
       bondedto (attr store1 < 27.9628908686  and attr store1 > 27.1628908686 ))) 
6 0.1 0.1 peak 1629 volume 11.05550 ppm1 0.882 ppm2 7.631
 
! ############### c13noe.1630 folded +
assi (attr store1 < 7.318 and attr store1 > 7.218 )
     ((attr store1 < 0.913 and attr store1 > 0.853 ) and 
      (bondedto (attr store1 < 123.459109131  and attr store1 > 122.659109131 ) or 
       bondedto (attr store1 < 75.735  and attr store1 > 74.935 ) or 
       bondedto (attr store1 < 28.0108908686  and attr store1 > 27.2108908686 ))) 
6 0.1 0.1 peak 1630 volume 23.27307 ppm1 0.883 ppm2 7.268
 
! ############### c13noe.1631 folded +
assi (attr store1 < 4.74 and attr store1 > 4.64 )
     ((attr store1 < 0.91 and attr store1 > 0.85 ) and 
      (bondedto (attr store1 < 123.470109131  and attr store1 > 122.670109131 ) or 
       bondedto (attr store1 < 75.746  and attr store1 > 74.946 ) or 
       bondedto (attr store1 < 28.0218908686  and attr store1 > 27.2218908686 ))) 
6 0.1 0.1 peak 1631 volume 10.33739 ppm1 0.880 ppm2 4.690
 
! ############### c13noe.1632 folded -
assi (attr store1 < 3.301 and attr store1 > 3.201 )
     ((attr store1 < 3.194 and attr store1 > 3.134 ) and 
      (bondedto (attr store1 < 99.5920545657  and attr store1 > 98.7920545657 ) or 
       bondedto (attr store1 < 147.316163697  and attr store1 > 146.516163697) or 
       bondedto (attr store1 < 51.8679454343  and attr store1 > 51.0679454343 ))) 
6 0.1 0.1 peak 1632 volume 27.42867 ppm1 3.164 ppm2 3.251
 
! ############### c13noe.1633 folded +
assi (attr store1 < 3.722 and attr store1 > 3.622 )
     ((attr store1 < 2.062 and attr store1 > 2.002 ) and 
      (bondedto (attr store1 < 123.383109131  and attr store1 > 122.583109131 ) or 
       bondedto (attr store1 < 75.659  and attr store1 > 74.859 ) or 
       bondedto (attr store1 < 27.9348908686  and attr store1 > 27.1348908686 ))) 
6 0.1 0.1 peak 1633 volume 42.49818 ppm1 2.032 ppm2 3.672
 
! ############### c13noe.1634 folded +
assi (attr store1 < 1.095 and attr store1 > 0.995 )
     ((attr store1 < 1.91 and attr store1 > 1.85 ) and 
      (bondedto (attr store1 < 123.362109131  and attr store1 > 122.562109131 ) or 
       bondedto (attr store1 < 75.638  and attr store1 > 74.838 ) or 
       bondedto (attr store1 < 27.9138908686  and attr store1 > 27.1138908686 ))) 
6 0.1 0.1 peak 1634 volume 16.30427 ppm1 1.880 ppm2 1.045
 
! ############### c13noe.1635 folded +
assi (attr store1 < 1.579 and attr store1 > 1.479 )
     ((attr store1 < 1.888 and attr store1 > 1.828 ) and 
      (bondedto (attr store1 < 123.373109131  and attr store1 > 122.573109131 ) or 
       bondedto (attr store1 < 75.649  and attr store1 > 74.849 ) or 
       bondedto (attr store1 < 27.9248908686  and attr store1 > 27.1248908686 ))) 
6 0.1 0.1 peak 1635 volume 19.12242 ppm1 1.858 ppm2 1.529
 
! ############### c13noe.1636 folded +
assi (attr store1 < 0.924 and attr store1 > 0.824 )
     ((attr store1 < 1.7 and attr store1 > 1.64 ) and 
      (bondedto (attr store1 < 123.396109131  and attr store1 > 122.596109131 ) or 
       bondedto (attr store1 < 75.672  and attr store1 > 74.872 ) or 
       bondedto (attr store1 < 27.9478908686  and attr store1 > 27.1478908686 ))) 
6 0.1 0.1 peak 1636 volume 86.51895 ppm1 1.670 ppm2 0.874
 
! ############### c13noe.1637 folded +
assi (attr store1 < 7.78 and attr store1 > 7.68 )
     ((attr store1 < 1.59 and attr store1 > 1.53 ) and 
      (bondedto (attr store1 < 123.383109131  and attr store1 > 122.583109131 ) or 
       bondedto (attr store1 < 75.659  and attr store1 > 74.859 ) or 
       bondedto (attr store1 < 27.9348908686  and attr store1 > 27.1348908686 ))) 
6 0.1 0.1 peak 1637 volume 8.61852 ppm1 1.560 ppm2 7.730
 
! ############### c13noe.1638 folded +
assi (attr store1 < 8.493 and attr store1 > 8.393 )
     ((attr store1 < 0.914 and attr store1 > 0.854 ) and 
      (bondedto (attr store1 < 123.338109131  and attr store1 > 122.538109131 ) or 
       bondedto (attr store1 < 75.614  and attr store1 > 74.814 ) or 
       bondedto (attr store1 < 27.8898908686  and attr store1 > 27.0898908686 ))) 
6 0.1 0.1 peak 1638 volume 16.69382 ppm1 0.884 ppm2 8.443
 
! ############### c13noe.1639 folded +
assi (attr store1 < 7.759 and attr store1 > 7.659 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 123.351109131  and attr store1 > 122.551109131 ) or 
       bondedto (attr store1 < 75.627  and attr store1 > 74.827 ) or 
       bondedto (attr store1 < 27.9028908686  and attr store1 > 27.1028908686 ))) 
6 0.1 0.1 peak 1639 volume 18.38067 ppm1 0.888 ppm2 7.709
 
! ############### c13noe.1640 folded +
assi (attr store1 < 4.232 and attr store1 > 4.132 )
     ((attr store1 < 0.916 and attr store1 > 0.856 ) and 
      (bondedto (attr store1 < 123.350109131  and attr store1 > 122.550109131 ) or 
       bondedto (attr store1 < 75.626  and attr store1 > 74.826 ) or 
       bondedto (attr store1 < 27.9018908686  and attr store1 > 27.1018908686 ))) 
6 0.1 0.1 peak 1640 volume 49.39669 ppm1 0.886 ppm2 4.182
 
! ############### c13noe.1641 folded +
assi (attr store1 < 3.393 and attr store1 > 3.293 )
     ((attr store1 < 0.898 and attr store1 > 0.838 ) and 
      (bondedto (attr store1 < 123.341109131  and attr store1 > 122.541109131 ) or 
       bondedto (attr store1 < 75.617  and attr store1 > 74.817 ) or 
       bondedto (attr store1 < 27.8928908686  and attr store1 > 27.0928908686 ))) 
6 0.1 0.1 peak 1641 volume 11.25173 ppm1 0.868 ppm2 3.343
 
! ############### c13noe.1642 folded +
assi (attr store1 < 8.73 and attr store1 > 8.63 )
     ((attr store1 < 0.895 and attr store1 > 0.835 ) and 
      (bondedto (attr store1 < 123.395109131  and attr store1 > 122.595109131 ) or 
       bondedto (attr store1 < 75.671  and attr store1 > 74.871 ) or 
       bondedto (attr store1 < 27.9468908686  and attr store1 > 27.1468908686 ))) 
6 0.1 0.1 peak 1642 volume 9.05233 ppm1 0.865 ppm2 8.680
 
! ############### c13noe.1643 folded +
assi (attr store1 < 8.501 and attr store1 > 8.401 )
     ((attr store1 < 0.896 and attr store1 > 0.836 ) and 
      (bondedto (attr store1 < 123.353109131  and attr store1 > 122.553109131 ) or 
       bondedto (attr store1 < 75.629  and attr store1 > 74.829 ) or 
       bondedto (attr store1 < 27.9048908686  and attr store1 > 27.1048908686 ))) 
6 0.1 0.1 peak 1643 volume 18.85248 ppm1 0.866 ppm2 8.451
 
! ############### c13noe.1644 folded +
assi (attr store1 < 7.58 and attr store1 > 7.48 )
     ((attr store1 < 0.894 and attr store1 > 0.834 ) and 
      (bondedto (attr store1 < 123.361109131  and attr store1 > 122.561109131 ) or 
       bondedto (attr store1 < 75.637  and attr store1 > 74.837 ) or 
       bondedto (attr store1 < 27.9128908686  and attr store1 > 27.1128908686 ))) 
6 0.1 0.1 peak 1644 volume 14.32043 ppm1 0.864 ppm2 7.530
 
! ############### c13noe.1645 folded +
assi (attr store1 < 1.503 and attr store1 > 1.403 )
     ((attr store1 < 1.931 and attr store1 > 1.871 ) and 
      (bondedto (attr store1 < 123.258109131  and attr store1 > 122.458109131 ) or 
       bondedto (attr store1 < 75.534  and attr store1 > 74.734 ) or 
       bondedto (attr store1 < 27.8098908686  and attr store1 > 27.0098908686 ))) 
6 0.1 0.1 peak 1645 volume 23.55750 ppm1 1.901 ppm2 1.453
 
! ############### c13noe.1646 folded +
assi (attr store1 < 1.102 and attr store1 > 1.002 )
     ((attr store1 < 1.894 and attr store1 > 1.834 ) and 
      (bondedto (attr store1 < 123.266109131  and attr store1 > 122.466109131 ) or 
       bondedto (attr store1 < 75.542  and attr store1 > 74.742 ) or 
       bondedto (attr store1 < 27.8178908686  and attr store1 > 27.0178908686 ))) 
6 0.1 0.1 peak 1646 volume 18.35901 ppm1 1.864 ppm2 1.052
 
! ############### c13noe.1647 folded +
assi (attr store1 < 4.069 and attr store1 > 3.969 )
     ((attr store1 < 1.886 and attr store1 > 1.826 ) and 
      (bondedto (attr store1 < 123.246109131  and attr store1 > 122.446109131 ) or 
       bondedto (attr store1 < 75.522  and attr store1 > 74.722 ) or 
       bondedto (attr store1 < 27.7978908686  and attr store1 > 26.9978908686 ))) 
6 0.1 0.1 peak 1647 volume 8.59443 ppm1 1.856 ppm2 4.019
 
! ############### c13noe.1648 folded +
assi (attr store1 < 3.982 and attr store1 > 3.882 )
     ((attr store1 < 1.884 and attr store1 > 1.824 ) and 
      (bondedto (attr store1 < 123.261109131  and attr store1 > 122.461109131 ) or 
       bondedto (attr store1 < 75.537  and attr store1 > 74.737 ) or 
       bondedto (attr store1 < 27.8128908686  and attr store1 > 27.0128908686 ))) 
6 0.1 0.1 peak 1648 volume 9.34117 ppm1 1.854 ppm2 3.932
 
! ############### c13noe.1649 folded +
assi (attr store1 < 8.011 and attr store1 > 7.911 )
     ((attr store1 < 1.878 and attr store1 > 1.818 ) and 
      (bondedto (attr store1 < 123.275109131  and attr store1 > 122.475109131 ) or 
       bondedto (attr store1 < 75.551  and attr store1 > 74.751 ) or 
       bondedto (attr store1 < 27.8268908686  and attr store1 > 27.0268908686 ))) 
6 0.1 0.1 peak 1649 volume 15.60151 ppm1 1.848 ppm2 7.961
 
! ############### c13noe.1650 folded +
assi (attr store1 < 8.777 and attr store1 > 8.677 )
     ((attr store1 < 1.789 and attr store1 > 1.729 ) and 
      (bondedto (attr store1 < 123.244109131  and attr store1 > 122.444109131 ) or 
       bondedto (attr store1 < 75.52  and attr store1 > 74.72 ) or 
       bondedto (attr store1 < 27.7958908686  and attr store1 > 26.9958908686 ))) 
6 0.1 0.1 peak 1650 volume 9.48079 ppm1 1.759 ppm2 8.727
 
! ############### c13noe.1651 folded +
assi (attr store1 < 0.89 and attr store1 > 0.79 )
     ((attr store1 < 1.585 and attr store1 > 1.525 ) and 
      (bondedto (attr store1 < 123.285109131  and attr store1 > 122.485109131 ) or 
       bondedto (attr store1 < 75.561  and attr store1 > 74.761 ) or 
       bondedto (attr store1 < 27.8368908686  and attr store1 > 27.0368908686 ))) 
6 0.1 0.1 peak 1651 volume 35.88512 ppm1 1.555 ppm2 0.840
 
! ############### c13noe.1652 folded +
assi (attr store1 < 4.048 and attr store1 > 3.948 )
     ((attr store1 < 1.581 and attr store1 > 1.521 ) and 
      (bondedto (attr store1 < 123.287109131  and attr store1 > 122.487109131 ) or 
       bondedto (attr store1 < 75.563  and attr store1 > 74.763 ) or 
       bondedto (attr store1 < 27.8388908686  and attr store1 > 27.0388908686 ))) 
6 0.1 0.1 peak 1652 volume 9.05841 ppm1 1.551 ppm2 3.998
 
! ############### c13noe.1653 folded +
assi (attr store1 < 1.247 and attr store1 > 1.147 )
     ((attr store1 < 1.483 and attr store1 > 1.423 ) and 
      (bondedto (attr store1 < 123.291109131  and attr store1 > 122.491109131 ) or 
       bondedto (attr store1 < 75.567  and attr store1 > 74.767 ) or 
       bondedto (attr store1 < 27.8428908686  and attr store1 > 27.0428908686 ))) 
6 0.1 0.1 peak 1653 volume 494.42715 ppm1 1.453 ppm2 1.197
 
! ############### c13noe.1654 folded +
assi (attr store1 < 1.501 and attr store1 > 1.401 )
     ((attr store1 < 1.225 and attr store1 > 1.165 ) and 
      (bondedto (attr store1 < 123.279109131  and attr store1 > 122.479109131 ) or 
       bondedto (attr store1 < 75.555  and attr store1 > 74.755 ) or 
       bondedto (attr store1 < 27.8308908686  and attr store1 > 27.0308908686 ))) 
6 0.1 0.1 peak 1654 volume 458.82385 ppm1 1.195 ppm2 1.451
 
! ############### c13noe.1655 folded +
assi (attr store1 < 8.719 and attr store1 > 8.619 )
     ((attr store1 < 0.982 and attr store1 > 0.922 ) and 
      (bondedto (attr store1 < 123.253109131  and attr store1 > 122.453109131 ) or 
       bondedto (attr store1 < 75.529  and attr store1 > 74.729 ) or 
       bondedto (attr store1 < 27.8048908686  and attr store1 > 27.0048908686 ))) 
6 0.1 0.1 peak 1655 volume 11.07147 ppm1 0.952 ppm2 8.669
 
! ############### c13noe.1656 folded +
assi (attr store1 < 8.504 and attr store1 > 8.404 )
     ((attr store1 < 0.982 and attr store1 > 0.922 ) and 
      (bondedto (attr store1 < 123.244109131  and attr store1 > 122.444109131 ) or 
       bondedto (attr store1 < 75.52  and attr store1 > 74.72 ) or 
       bondedto (attr store1 < 27.7958908686  and attr store1 > 26.9958908686 ))) 
6 0.1 0.1 peak 1656 volume 11.33959 ppm1 0.952 ppm2 8.454
 
! ############### c13noe.1657 folded +
assi (attr store1 < 4.498 and attr store1 > 4.398 )
     ((attr store1 < 0.984 and attr store1 > 0.924 ) and 
      (bondedto (attr store1 < 123.238109131  and attr store1 > 122.438109131 ) or 
       bondedto (attr store1 < 75.514  and attr store1 > 74.714 ) or 
       bondedto (attr store1 < 27.7898908686  and attr store1 > 26.9898908686 ))) 
6 0.1 0.1 peak 1657 volume 7.63467 ppm1 0.954 ppm2 4.448
 
! ############### c13noe.1658 folded +
assi (attr store1 < 3.773 and attr store1 > 3.673 )
     ((attr store1 < 0.982 and attr store1 > 0.922 ) and 
      (bondedto (attr store1 < 123.267109131  and attr store1 > 122.467109131 ) or 
       bondedto (attr store1 < 75.543  and attr store1 > 74.743 ) or 
       bondedto (attr store1 < 27.8188908686  and attr store1 > 27.0188908686 ))) 
6 0.1 0.1 peak 1658 volume 13.93422 ppm1 0.952 ppm2 3.723
 
! ############### c13noe.1659 folded +
assi (attr store1 < 3.604 and attr store1 > 3.504 )
     ((attr store1 < 0.982 and attr store1 > 0.922 ) and 
      (bondedto (attr store1 < 123.271109131  and attr store1 > 122.471109131 ) or 
       bondedto (attr store1 < 75.547  and attr store1 > 74.747 ) or 
       bondedto (attr store1 < 27.8228908686  and attr store1 > 27.0228908686 ))) 
6 0.1 0.1 peak 1659 volume 10.64532 ppm1 0.952 ppm2 3.554
 
! ############### c13noe.1660 folded +
assi (attr store1 < 3.689 and attr store1 > 3.589 )
     ((attr store1 < 0.926 and attr store1 > 0.866 ) and 
      (bondedto (attr store1 < 123.301109131  and attr store1 > 122.501109131 ) or 
       bondedto (attr store1 < 75.577  and attr store1 > 74.777 ) or 
       bondedto (attr store1 < 27.8528908686  and attr store1 > 27.0528908686 ))) 
6 0.1 0.1 peak 1660 volume 18.16532 ppm1 0.896 ppm2 3.639
 
! ############### c13noe.1661 folded +
assi (attr store1 < 8.982 and attr store1 > 8.882 )
     ((attr store1 < 0.923 and attr store1 > 0.863 ) and 
      (bondedto (attr store1 < 123.283109131  and attr store1 > 122.483109131 ) or 
       bondedto (attr store1 < 75.559  and attr store1 > 74.759 ) or 
       bondedto (attr store1 < 27.8348908686  and attr store1 > 27.0348908686 ))) 
6 0.1 0.1 peak 1661 volume 8.58715 ppm1 0.893 ppm2 8.932
 
! ############### c13noe.1662 folded +
assi (attr store1 < 8.584 and attr store1 > 8.484 )
     ((attr store1 < 0.917 and attr store1 > 0.857 ) and 
      (bondedto (attr store1 < 123.286109131  and attr store1 > 122.486109131 ) or 
       bondedto (attr store1 < 75.562  and attr store1 > 74.762 ) or 
       bondedto (attr store1 < 27.8378908686  and attr store1 > 27.0378908686 ))) 
6 0.1 0.1 peak 1662 volume 9.21123 ppm1 0.887 ppm2 8.534
 
! ############### c13noe.1663 folded -
assi (attr store1 < 3.31 and attr store1 > 3.21 )
     ((attr store1 < 3.191 and attr store1 > 3.131 ) and 
      (bondedto (attr store1 < 99.4180545657  and attr store1 > 98.6180545657 ) or 
       bondedto (attr store1 < 147.142163697  and attr store1 > 146.342163697) or 
       bondedto (attr store1 < 51.6939454343  and attr store1 > 50.8939454343 ))) 
6 0.1 0.1 peak 1663 volume 25.27681 ppm1 3.161 ppm2 3.260
 
! ############### c13noe.1664 folded +
assi (attr store1 < 2.367 and attr store1 > 2.267 )
     ((attr store1 < 2.002 and attr store1 > 1.942 ) and 
      (bondedto (attr store1 < 123.194109131  and attr store1 > 122.394109131 ) or 
       bondedto (attr store1 < 75.47  and attr store1 > 74.67 ) or 
       bondedto (attr store1 < 27.7458908686  and attr store1 > 26.9458908686 ))) 
6 0.1 0.1 peak 1664 volume 17.28821 ppm1 1.972 ppm2 2.317
 
! ############### c13noe.1665 folded +
assi (attr store1 < 2.361 and attr store1 > 2.261 )
     ((attr store1 < 1.965 and attr store1 > 1.905 ) and 
      (bondedto (attr store1 < 123.180109131  and attr store1 > 122.380109131 ) or 
       bondedto (attr store1 < 75.456  and attr store1 > 74.656 ) or 
       bondedto (attr store1 < 27.7318908686  and attr store1 > 26.9318908686 ))) 
6 0.1 0.1 peak 1665 volume 23.31451 ppm1 1.935 ppm2 2.311
 
! ############### c13noe.1666 folded +
assi (attr store1 < 2.759 and attr store1 > 2.659 )
     ((attr store1 < 1.788 and attr store1 > 1.728 ) and 
      (bondedto (attr store1 < 123.173109131  and attr store1 > 122.373109131 ) or 
       bondedto (attr store1 < 75.449  and attr store1 > 74.649 ) or 
       bondedto (attr store1 < 27.7248908686  and attr store1 > 26.9248908686 ))) 
6 0.1 0.1 peak 1666 volume 8.20488 ppm1 1.758 ppm2 2.709
 
! ############### c13noe.1667 folded +
assi (attr store1 < 4.258 and attr store1 > 4.158 )
     ((attr store1 < 1.782 and attr store1 > 1.722 ) and 
      (bondedto (attr store1 < 123.201109131  and attr store1 > 122.401109131 ) or 
       bondedto (attr store1 < 75.477  and attr store1 > 74.677 ) or 
       bondedto (attr store1 < 27.7528908686  and attr store1 > 26.9528908686 ))) 
6 0.1 0.1 peak 1667 volume 20.91085 ppm1 1.752 ppm2 4.208
 
! ############### c13noe.1668 folded +
assi (attr store1 < 3.364 and attr store1 > 3.264 )
     ((attr store1 < 1.779 and attr store1 > 1.719 ) and 
      (bondedto (attr store1 < 123.194109131  and attr store1 > 122.394109131 ) or 
       bondedto (attr store1 < 75.47  and attr store1 > 74.67 ) or 
       bondedto (attr store1 < 27.7458908686  and attr store1 > 26.9458908686 ))) 
6 0.1 0.1 peak 1668 volume 31.31537 ppm1 1.749 ppm2 3.314
 
! ############### c13noe.1669 folded +
assi (attr store1 < 2.85 and attr store1 > 2.75 )
     ((attr store1 < 1.778 and attr store1 > 1.718 ) and 
      (bondedto (attr store1 < 123.161109131  and attr store1 > 122.361109131 ) or 
       bondedto (attr store1 < 75.437  and attr store1 > 74.637 ) or 
       bondedto (attr store1 < 27.7128908686  and attr store1 > 26.9128908686 ))) 
6 0.1 0.1 peak 1669 volume 9.95230 ppm1 1.748 ppm2 2.800
 
! ############### c13noe.1670 folded +
assi (attr store1 < 3.299 and attr store1 > 3.199 )
     ((attr store1 < 1.775 and attr store1 > 1.715 ) and 
      (bondedto (attr store1 < 123.170109131  and attr store1 > 122.370109131 ) or 
       bondedto (attr store1 < 75.446  and attr store1 > 74.646 ) or 
       bondedto (attr store1 < 27.7218908686  and attr store1 > 26.9218908686 ))) 
6 0.1 0.1 peak 1670 volume 34.55150 ppm1 1.745 ppm2 3.249
 
! ############### c13noe.1671 folded +
assi (attr store1 < 3.201 and attr store1 > 3.101 )
     ((attr store1 < 1.728 and attr store1 > 1.668 ) and 
      (bondedto (attr store1 < 123.187109131  and attr store1 > 122.387109131 ) or 
       bondedto (attr store1 < 75.463  and attr store1 > 74.663 ) or 
       bondedto (attr store1 < 27.7388908686  and attr store1 > 26.9388908686 ))) 
6 0.1 0.1 peak 1671 volume 12.18125 ppm1 1.698 ppm2 3.151
 
! ############### c13noe.1672 folded +
assi (attr store1 < 2.76 and attr store1 > 2.66 )
     ((attr store1 < 1.729 and attr store1 > 1.669 ) and 
      (bondedto (attr store1 < 123.170109131  and attr store1 > 122.370109131 ) or 
       bondedto (attr store1 < 75.446  and attr store1 > 74.646 ) or 
       bondedto (attr store1 < 27.7218908686  and attr store1 > 26.9218908686 ))) 
6 0.1 0.1 peak 1672 volume 9.99872 ppm1 1.699 ppm2 2.710
 
! ############### c13noe.1673 folded +
assi (attr store1 < 8.281 and attr store1 > 8.181 )
     ((attr store1 < 1.724 and attr store1 > 1.664 ) and 
      (bondedto (attr store1 < 123.180109131  and attr store1 > 122.380109131 ) or 
       bondedto (attr store1 < 75.456  and attr store1 > 74.656 ) or 
       bondedto (attr store1 < 27.7318908686  and attr store1 > 26.9318908686 ))) 
6 0.1 0.1 peak 1673 volume 7.41502 ppm1 1.694 ppm2 8.231
 
! ############### c13noe.1674 folded +
assi (attr store1 < 4.735 and attr store1 > 4.635 )
     ((attr store1 < 1.723 and attr store1 > 1.663 ) and 
      (bondedto (attr store1 < 123.162109131  and attr store1 > 122.362109131 ) or 
       bondedto (attr store1 < 75.438  and attr store1 > 74.638 ) or 
       bondedto (attr store1 < 27.7138908686  and attr store1 > 26.9138908686 ))) 
6 0.1 0.1 peak 1674 volume 10.73299 ppm1 1.693 ppm2 4.685
 
! ############### c13noe.1675 folded +
assi (attr store1 < 4.262 and attr store1 > 4.162 )
     ((attr store1 < 1.722 and attr store1 > 1.662 ) and 
      (bondedto (attr store1 < 123.156109131  and attr store1 > 122.356109131 ) or 
       bondedto (attr store1 < 75.432  and attr store1 > 74.632 ) or 
       bondedto (attr store1 < 27.7078908686  and attr store1 > 26.9078908686 ))) 
6 0.1 0.1 peak 1675 volume 22.90339 ppm1 1.692 ppm2 4.212
 
! ############### c13noe.1676 folded +
assi (attr store1 < 8.772 and attr store1 > 8.672 )
     ((attr store1 < 1.719 and attr store1 > 1.659 ) and 
      (bondedto (attr store1 < 123.176109131  and attr store1 > 122.376109131 ) or 
       bondedto (attr store1 < 75.452  and attr store1 > 74.652 ) or 
       bondedto (attr store1 < 27.7278908686  and attr store1 > 26.9278908686 ))) 
6 0.1 0.1 peak 1676 volume 7.28124 ppm1 1.689 ppm2 8.722
 
! ############### c13noe.1677 folded +
assi (attr store1 < 3.301 and attr store1 > 3.201 )
     ((attr store1 < 1.72 and attr store1 > 1.66 ) and 
      (bondedto (attr store1 < 123.201109131  and attr store1 > 122.401109131 ) or 
       bondedto (attr store1 < 75.477  and attr store1 > 74.677 ) or 
       bondedto (attr store1 < 27.7528908686  and attr store1 > 26.9528908686 ))) 
6 0.1 0.1 peak 1677 volume 31.15221 ppm1 1.690 ppm2 3.251
 
! ############### c13noe.1678 folded +
assi (attr store1 < 2.855 and attr store1 > 2.755 )
     ((attr store1 < 1.72 and attr store1 > 1.66 ) and 
      (bondedto (attr store1 < 123.196109131  and attr store1 > 122.396109131 ) or 
       bondedto (attr store1 < 75.472  and attr store1 > 74.672 ) or 
       bondedto (attr store1 < 27.7478908686  and attr store1 > 26.9478908686 ))) 
6 0.1 0.1 peak 1678 volume 11.24521 ppm1 1.690 ppm2 2.805
 
! ############### c13noe.1679 folded +
assi (attr store1 < 8.598 and attr store1 > 8.498 )
     ((attr store1 < 1.06 and attr store1 > 1.0 ) and 
      (bondedto (attr store1 < 123.150109131  and attr store1 > 122.350109131 ) or 
       bondedto (attr store1 < 75.426  and attr store1 > 74.626 ) or 
       bondedto (attr store1 < 27.7018908686  and attr store1 > 26.9018908686 ))) 
6 0.1 0.1 peak 1679 volume 9.70660 ppm1 1.030 ppm2 8.548
 
! ############### c13noe.1680 folded +
assi (attr store1 < 4.509 and attr store1 > 4.409 )
     ((attr store1 < 1.058 and attr store1 > 0.998 ) and 
      (bondedto (attr store1 < 123.136109131  and attr store1 > 122.336109131 ) or 
       bondedto (attr store1 < 75.412  and attr store1 > 74.612 ) or 
       bondedto (attr store1 < 27.6878908686  and attr store1 > 26.8878908686 ))) 
6 0.1 0.1 peak 1680 volume 12.36842 ppm1 1.028 ppm2 4.459
 
! ############### c13noe.1681 folded +
assi (attr store1 < 4.224 and attr store1 > 4.124 )
     ((attr store1 < 1.058 and attr store1 > 0.998 ) and 
      (bondedto (attr store1 < 123.167109131  and attr store1 > 122.367109131 ) or 
       bondedto (attr store1 < 75.443  and attr store1 > 74.643 ) or 
       bondedto (attr store1 < 27.7188908686  and attr store1 > 26.9188908686 ))) 
6 0.1 0.1 peak 1681 volume 13.96460 ppm1 1.028 ppm2 4.174
 
! ############### c13noe.1682 folded +
assi (attr store1 < 4.125 and attr store1 > 4.025 )
     ((attr store1 < 1.06 and attr store1 > 1.0 ) and 
      (bondedto (attr store1 < 123.168109131  and attr store1 > 122.368109131 ) or 
       bondedto (attr store1 < 75.444  and attr store1 > 74.644 ) or 
       bondedto (attr store1 < 27.7198908686  and attr store1 > 26.9198908686 ))) 
6 0.1 0.1 peak 1682 volume 9.59429 ppm1 1.030 ppm2 4.075
 
! ############### c13noe.1683 folded +
assi (attr store1 < 3.631 and attr store1 > 3.531 )
     ((attr store1 < 1.058 and attr store1 > 0.998 ) and 
      (bondedto (attr store1 < 123.202109131  and attr store1 > 122.402109131 ) or 
       bondedto (attr store1 < 75.478  and attr store1 > 74.678 ) or 
       bondedto (attr store1 < 27.7538908686  and attr store1 > 26.9538908686 ))) 
6 0.1 0.1 peak 1683 volume 6.29549 ppm1 1.028 ppm2 3.581
 
! ############### c13noe.1684 folded +
assi (attr store1 < 3.766 and attr store1 > 3.666 )
     ((attr store1 < 1.056 and attr store1 > 0.996 ) and 
      (bondedto (attr store1 < 123.143109131  and attr store1 > 122.343109131 ) or 
       bondedto (attr store1 < 75.419  and attr store1 > 74.619 ) or 
       bondedto (attr store1 < 27.6948908686  and attr store1 > 26.8948908686 ))) 
6 0.1 0.1 peak 1684 volume 6.35955 ppm1 1.026 ppm2 3.716
 
! ############### c13noe.1685 folded +
assi (attr store1 < 4.134 and attr store1 > 4.034 )
     ((attr store1 < 0.981 and attr store1 > 0.921 ) and 
      (bondedto (attr store1 < 123.211109131  and attr store1 > 122.411109131 ) or 
       bondedto (attr store1 < 75.487  and attr store1 > 74.687 ) or 
       bondedto (attr store1 < 27.7628908686  and attr store1 > 26.9628908686 ))) 
6 0.1 0.1 peak 1685 volume 20.10765 ppm1 0.951 ppm2 4.084
 
! ############### c13noe.1686 folded +
assi (attr store1 < 0.844 and attr store1 > 0.744 )
     ((attr store1 < 0.523 and attr store1 > 0.463 ) and 
      (bondedto (attr store1 < 123.158109131  and attr store1 > 122.358109131 ) or 
       bondedto (attr store1 < 75.434  and attr store1 > 74.634 ) or 
       bondedto (attr store1 < 27.7098908686  and attr store1 > 26.9098908686 ))) 
6 0.1 0.1 peak 1686 volume 12.52479 ppm1 0.493 ppm2 0.794
 
! ############### c13noe.1687 folded -
assi (attr store1 < 2.051 and attr store1 > 1.951 )
     ((attr store1 < 2.126 and attr store1 > 2.066 ) and 
      (bondedto (attr store1 < 99.3140545657  and attr store1 > 98.5140545657 ) or 
       bondedto (attr store1 < 147.038163697  and attr store1 > 146.238163697) or 
       bondedto (attr store1 < 51.5899454343  and attr store1 > 50.7899454343 ))) 
6 0.1 0.1 peak 1687 volume 7.54279 ppm1 2.096 ppm2 2.001
 
! ############### c13noe.1688 folded +
assi (attr store1 < 8.98 and attr store1 > 8.88 )
     ((attr store1 < 1.909 and attr store1 > 1.849 ) and 
      (bondedto (attr store1 < 123.110109131  and attr store1 > 122.310109131 ) or 
       bondedto (attr store1 < 75.386  and attr store1 > 74.586 ) or 
       bondedto (attr store1 < 27.6618908686  and attr store1 > 26.8618908686 ))) 
6 0.1 0.1 peak 1688 volume 7.85418 ppm1 1.879 ppm2 8.930
 
! ############### c13noe.1689 folded +
assi (attr store1 < 4.162 and attr store1 > 4.062 )
     ((attr store1 < 1.785 and attr store1 > 1.725 ) and 
      (bondedto (attr store1 < 123.072109131  and attr store1 > 122.272109131 ) or 
       bondedto (attr store1 < 75.348  and attr store1 > 74.548 ) or 
       bondedto (attr store1 < 27.6238908686  and attr store1 > 26.8238908686 ))) 
6 0.1 0.1 peak 1689 volume 12.04021 ppm1 1.755 ppm2 4.112
 
! ############### c13noe.1690 folded +
assi (attr store1 < 4.193 and attr store1 > 4.093 )
     ((attr store1 < 1.722 and attr store1 > 1.662 ) and 
      (bondedto (attr store1 < 123.102109131  and attr store1 > 122.302109131 ) or 
       bondedto (attr store1 < 75.378  and attr store1 > 74.578 ) or 
       bondedto (attr store1 < 27.6538908686  and attr store1 > 26.8538908686 ))) 
6 0.1 0.1 peak 1690 volume 18.50522 ppm1 1.692 ppm2 4.143
 
! ############### c13noe.1691 folded +
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 1.715 and attr store1 > 1.655 ) and 
      (bondedto (attr store1 < 123.079109131  and attr store1 > 122.279109131 ) or 
       bondedto (attr store1 < 75.355  and attr store1 > 74.555 ) or 
       bondedto (attr store1 < 27.6308908686  and attr store1 > 26.8308908686 ))) 
6 0.1 0.1 peak 1691 volume 10.70390 ppm1 1.685 ppm2 4.688
 
! ############### c13noe.1692 folded +
assi (attr store1 < 4.188 and attr store1 > 4.088 )
     ((attr store1 < 1.708 and attr store1 > 1.648 ) and 
      (bondedto (attr store1 < 123.087109131  and attr store1 > 122.287109131 ) or 
       bondedto (attr store1 < 75.363  and attr store1 > 74.563 ) or 
       bondedto (attr store1 < 27.6388908686  and attr store1 > 26.8388908686 ))) 
6 0.1 0.1 peak 1692 volume 19.30482 ppm1 1.678 ppm2 4.138
 
! ############### c13noe.1693 folded +
assi (attr store1 < 1.741 and attr store1 > 1.641 )
     ((attr store1 < 1.584 and attr store1 > 1.524 ) and 
      (bondedto (attr store1 < 123.103109131  and attr store1 > 122.303109131 ) or 
       bondedto (attr store1 < 75.379  and attr store1 > 74.579 ) or 
       bondedto (attr store1 < 27.6548908686  and attr store1 > 26.8548908686 ))) 
6 0.1 0.1 peak 1693 volume 48.17958 ppm1 1.554 ppm2 1.691
 
! ############### c13noe.1694 folded +
assi (attr store1 < 8.499 and attr store1 > 8.399 )
     ((attr store1 < 1.059 and attr store1 > 0.999 ) and 
      (bondedto (attr store1 < 123.092109131  and attr store1 > 122.292109131 ) or 
       bondedto (attr store1 < 75.368  and attr store1 > 74.568 ) or 
       bondedto (attr store1 < 27.6438908686  and attr store1 > 26.8438908686 ))) 
6 0.1 0.1 peak 1694 volume 8.24678 ppm1 1.029 ppm2 8.449
 
! ############### c13noe.1695 folded +
assi (attr store1 < 1.103 and attr store1 > 1.003 )
     ((attr store1 < 1.914 and attr store1 > 1.854 ) and 
      (bondedto (attr store1 < 122.957109131  and attr store1 > 122.157109131 ) or 
       bondedto (attr store1 < 75.233  and attr store1 > 74.433 ) or 
       bondedto (attr store1 < 27.5088908686  and attr store1 > 26.7088908686 ))) 
6 0.1 0.1 peak 1695 volume 19.12394 ppm1 1.884 ppm2 1.053
 
! ############### c13noe.1696 folded +
assi (attr store1 < 7.86 and attr store1 > 7.76 )
     ((attr store1 < 1.876 and attr store1 > 1.816 ) and 
      (bondedto (attr store1 < 122.970109131  and attr store1 > 122.170109131 ) or 
       bondedto (attr store1 < 75.246  and attr store1 > 74.446 ) or 
       bondedto (attr store1 < 27.5218908686  and attr store1 > 26.7218908686 ))) 
6 0.1 0.1 peak 1696 volume 25.54371 ppm1 1.846 ppm2 7.810
 
! ############### c13noe.1697 folded +
assi (attr store1 < 4.252 and attr store1 > 4.152 )
     ((attr store1 < 1.875 and attr store1 > 1.815 ) and 
      (bondedto (attr store1 < 122.972109131  and attr store1 > 122.172109131 ) or 
       bondedto (attr store1 < 75.248  and attr store1 > 74.448 ) or 
       bondedto (attr store1 < 27.5238908686  and attr store1 > 26.7238908686 ))) 
6 0.1 0.1 peak 1697 volume 17.06383 ppm1 1.845 ppm2 4.202
 
! ############### c13noe.1698 folded +
assi (attr store1 < 1.739 and attr store1 > 1.639 )
     ((attr store1 < 1.875 and attr store1 > 1.815 ) and 
      (bondedto (attr store1 < 122.990109131  and attr store1 > 122.190109131 ) or 
       bondedto (attr store1 < 75.266  and attr store1 > 74.466 ) or 
       bondedto (attr store1 < 27.5418908686  and attr store1 > 26.7418908686 ))) 
6 0.1 0.1 peak 1698 volume 48.29695 ppm1 1.845 ppm2 1.689
 
! ############### c13noe.1699 folded +
assi (attr store1 < 4.153 and attr store1 > 4.053 )
     ((attr store1 < 1.872 and attr store1 > 1.812 ) and 
      (bondedto (attr store1 < 122.991109131  and attr store1 > 122.191109131 ) or 
       bondedto (attr store1 < 75.267  and attr store1 > 74.467 ) or 
       bondedto (attr store1 < 27.5428908686  and attr store1 > 26.7428908686 ))) 
6 0.1 0.1 peak 1699 volume 12.99147 ppm1 1.842 ppm2 4.103
 
! ############### c13noe.1700 folded +
assi (attr store1 < 0.987 and attr store1 > 0.887 )
     ((attr store1 < 1.874 and attr store1 > 1.814 ) and 
      (bondedto (attr store1 < 122.988109131  and attr store1 > 122.188109131 ) or 
       bondedto (attr store1 < 75.264  and attr store1 > 74.464 ) or 
       bondedto (attr store1 < 27.5398908686  and attr store1 > 26.7398908686 ))) 
6 0.1 0.1 peak 1700 volume 101.87802 ppm1 1.844 ppm2 0.937
 
! ############### c13noe.1701 folded +
assi (attr store1 < 8.854 and attr store1 > 8.754 )
     ((attr store1 < 1.809 and attr store1 > 1.749 ) and 
      (bondedto (attr store1 < 122.977109131  and attr store1 > 122.177109131 ) or 
       bondedto (attr store1 < 75.253  and attr store1 > 74.453 ) or 
       bondedto (attr store1 < 27.5288908686  and attr store1 > 26.7288908686 ))) 
6 0.1 0.1 peak 1701 volume 15.99658 ppm1 1.779 ppm2 8.804
 
! ############### c13noe.1702 folded +
assi (attr store1 < 0.928 and attr store1 > 0.828 )
     ((attr store1 < 1.805 and attr store1 > 1.745 ) and 
      (bondedto (attr store1 < 122.973109131  and attr store1 > 122.173109131 ) or 
       bondedto (attr store1 < 75.249  and attr store1 > 74.449 ) or 
       bondedto (attr store1 < 27.5248908686  and attr store1 > 26.7248908686 ))) 
6 0.1 0.1 peak 1702 volume 56.04314 ppm1 1.775 ppm2 0.878
 
! ############### c13noe.1703 folded +
assi (attr store1 < 4.168 and attr store1 > 4.068 )
     ((attr store1 < 1.795 and attr store1 > 1.735 ) and 
      (bondedto (attr store1 < 122.996109131  and attr store1 > 122.196109131 ) or 
       bondedto (attr store1 < 75.272  and attr store1 > 74.472 ) or 
       bondedto (attr store1 < 27.5478908686  and attr store1 > 26.7478908686 ))) 
6 0.1 0.1 peak 1703 volume 11.98083 ppm1 1.765 ppm2 4.118
 
! ############### c13noe.1704 folded +
assi (attr store1 < 3.302 and attr store1 > 3.202 )
     ((attr store1 < 1.752 and attr store1 > 1.692 ) and 
      (bondedto (attr store1 < 122.958109131  and attr store1 > 122.158109131 ) or 
       bondedto (attr store1 < 75.234  and attr store1 > 74.434 ) or 
       bondedto (attr store1 < 27.5098908686  and attr store1 > 26.7098908686 ))) 
6 0.1 0.1 peak 1704 volume 40.45151 ppm1 1.722 ppm2 3.252
 
! ############### c13noe.1705 folded +
assi (attr store1 < 7.812 and attr store1 > 7.712 )
     ((attr store1 < 1.702 and attr store1 > 1.642 ) and 
      (bondedto (attr store1 < 122.985109131  and attr store1 > 122.185109131 ) or 
       bondedto (attr store1 < 75.261  and attr store1 > 74.461 ) or 
       bondedto (attr store1 < 27.5368908686  and attr store1 > 26.7368908686 ))) 
6 0.1 0.1 peak 1705 volume 14.00341 ppm1 1.672 ppm2 7.762
 
! ############### c13noe.1706 folded +
assi (attr store1 < 0.968 and attr store1 > 0.868 )
     ((attr store1 < 1.698 and attr store1 > 1.638 ) and 
      (bondedto (attr store1 < 122.980109131  and attr store1 > 122.180109131 ) or 
       bondedto (attr store1 < 75.256  and attr store1 > 74.456 ) or 
       bondedto (attr store1 < 27.5318908686  and attr store1 > 26.7318908686 ))) 
6 0.1 0.1 peak 1706 volume 85.50996 ppm1 1.668 ppm2 0.918
 
! ############### c13noe.1707 folded -
assi (attr store1 < 7.593 and attr store1 > 7.493 )
     ((attr store1 < 3.801 and attr store1 > 3.741 ) and 
      (bondedto (attr store1 < 99.0900545657  and attr store1 > 98.2900545657 ) or 
       bondedto (attr store1 < 146.814163697  and attr store1 > 146.014163697) or 
       bondedto (attr store1 < 51.3659454343  and attr store1 > 50.5659454343 ))) 
6 0.1 0.1 peak 1707 volume 9.02439 ppm1 3.771 ppm2 7.543
 
! ############### c13noe.1708 folded -
assi (attr store1 < 3.512 and attr store1 > 3.412 )
     ((attr store1 < 3.79 and attr store1 > 3.73 ) and 
      (bondedto (attr store1 < 99.1160545657  and attr store1 > 98.3160545657 ) or 
       bondedto (attr store1 < 146.840163697  and attr store1 > 146.040163697) or 
       bondedto (attr store1 < 51.3919454343  and attr store1 > 50.5919454343 ))) 
6 0.1 0.1 peak 1708 volume 36.78729 ppm1 3.760 ppm2 3.462
 
! ############### c13noe.1709 folded -
assi (attr store1 < 7.587 and attr store1 > 7.487 )
     ((attr store1 < 3.498 and attr store1 > 3.438 ) and 
      (bondedto (attr store1 < 99.0900545657  and attr store1 > 98.2900545657 ) or 
       bondedto (attr store1 < 146.814163697  and attr store1 > 146.014163697) or 
       bondedto (attr store1 < 51.3659454343  and attr store1 > 50.5659454343 ))) 
6 0.1 0.1 peak 1709 volume 9.31321 ppm1 3.468 ppm2 7.537
 
! ############### c13noe.1710 folded +
assi (attr store1 < 3.366 and attr store1 > 3.266 )
     ((attr store1 < 3.283 and attr store1 > 3.223 ) and 
      (bondedto (attr store1 < 122.884109131  and attr store1 > 122.084109131 ) or 
       bondedto (attr store1 < 75.16  and attr store1 > 74.36 ) or 
       bondedto (attr store1 < 27.4358908686  and attr store1 > 26.6358908686 ))) 
6 0.1 0.1 peak 1710 volume 13.88072 ppm1 3.253 ppm2 3.316
 
! ############### c13noe.1711 folded +
assi (attr store1 < 4.76 and attr store1 > 4.66 )
     ((attr store1 < 1.753 and attr store1 > 1.693 ) and 
      (bondedto (attr store1 < 122.893109131  and attr store1 > 122.093109131 ) or 
       bondedto (attr store1 < 75.169  and attr store1 > 74.369 ) or 
       bondedto (attr store1 < 27.4448908686  and attr store1 > 26.6448908686 ))) 
6 0.1 0.1 peak 1711 volume 20.32018 ppm1 1.723 ppm2 4.710
 
! ############### c13noe.1712 folded +
assi (attr store1 < 7.617 and attr store1 > 7.517 )
     ((attr store1 < 1.646 and attr store1 > 1.586 ) and 
      (bondedto (attr store1 < 122.889109131  and attr store1 > 122.089109131 ) or 
       bondedto (attr store1 < 75.165  and attr store1 > 74.365 ) or 
       bondedto (attr store1 < 27.4408908686  and attr store1 > 26.6408908686 ))) 
6 0.1 0.1 peak 1712 volume 13.48705 ppm1 1.616 ppm2 7.567
 
! ############### c13noe.1713 folded +
assi (attr store1 < 0.837 and attr store1 > 0.737 )
     ((attr store1 < 1.643 and attr store1 > 1.583 ) and 
      (bondedto (attr store1 < 122.855109131  and attr store1 > 122.055109131 ) or 
       bondedto (attr store1 < 75.131  and attr store1 > 74.331 ) or 
       bondedto (attr store1 < 27.4068908686  and attr store1 > 26.6068908686 ))) 
6 0.1 0.1 peak 1713 volume 31.08384 ppm1 1.613 ppm2 0.787
 
! ############### c13noe.1714 folded +
assi (attr store1 < 7.596 and attr store1 > 7.496 )
     ((attr store1 < 1.619 and attr store1 > 1.559 ) and 
      (bondedto (attr store1 < 122.914109131  and attr store1 > 122.114109131 ) or 
       bondedto (attr store1 < 75.19  and attr store1 > 74.39 ) or 
       bondedto (attr store1 < 27.4658908686  and attr store1 > 26.6658908686 ))) 
6 0.1 0.1 peak 1714 volume 19.80262 ppm1 1.589 ppm2 7.546
 
! ############### c13noe.1715 folded +
assi (attr store1 < 3.962 and attr store1 > 3.862 )
     ((attr store1 < 1.617 and attr store1 > 1.557 ) and 
      (bondedto (attr store1 < 122.900109131  and attr store1 > 122.100109131 ) or 
       bondedto (attr store1 < 75.176  and attr store1 > 74.376 ) or 
       bondedto (attr store1 < 27.4518908686  and attr store1 > 26.6518908686 ))) 
6 0.1 0.1 peak 1715 volume 9.30823 ppm1 1.587 ppm2 3.912
 
! ############### c13noe.1716 folded +
assi (attr store1 < 0.544 and attr store1 > 0.444 )
     ((attr store1 < 1.619 and attr store1 > 1.559 ) and 
      (bondedto (attr store1 < 122.897109131  and attr store1 > 122.097109131 ) or 
       bondedto (attr store1 < 75.173  and attr store1 > 74.373 ) or 
       bondedto (attr store1 < 27.4488908686  and attr store1 > 26.6488908686 ))) 
6 0.1 0.1 peak 1716 volume 20.39491 ppm1 1.589 ppm2 0.494
 
! ############### c13noe.1717 folded +
assi (attr store1 < 4.477 and attr store1 > 4.377 )
     ((attr store1 < 1.615 and attr store1 > 1.555 ) and 
      (bondedto (attr store1 < 122.927109131  and attr store1 > 122.127109131 ) or 
       bondedto (attr store1 < 75.203  and attr store1 > 74.403 ) or 
       bondedto (attr store1 < 27.4788908686  and attr store1 > 26.6788908686 ))) 
6 0.1 0.1 peak 1717 volume 13.36171 ppm1 1.585 ppm2 4.427
 
! ############### c13noe.1718 folded +
assi (attr store1 < 1.178 and attr store1 > 1.078 )
     ((attr store1 < 1.616 and attr store1 > 1.556 ) and 
      (bondedto (attr store1 < 122.883109131  and attr store1 > 122.083109131 ) or 
       bondedto (attr store1 < 75.159  and attr store1 > 74.359 ) or 
       bondedto (attr store1 < 27.4348908686  and attr store1 > 26.6348908686 ))) 
6 0.1 0.1 peak 1718 volume 11.48789 ppm1 1.586 ppm2 1.128
 
! ############### c13noe.1719 folded +
assi (attr store1 < 7.776 and attr store1 > 7.676 )
     ((attr store1 < 0.864 and attr store1 > 0.804 ) and 
      (bondedto (attr store1 < 122.903109131  and attr store1 > 122.103109131 ) or 
       bondedto (attr store1 < 75.179  and attr store1 > 74.379 ) or 
       bondedto (attr store1 < 27.4548908686  and attr store1 > 26.6548908686 ))) 
6 0.1 0.1 peak 1719 volume 16.27370 ppm1 0.834 ppm2 7.726
 
! ############### c13noe.1720 folded +
assi (attr store1 < 4.165 and attr store1 > 4.065 )
     ((attr store1 < 0.864 and attr store1 > 0.804 ) and 
      (bondedto (attr store1 < 122.879109131  and attr store1 > 122.079109131 ) or 
       bondedto (attr store1 < 75.155  and attr store1 > 74.355 ) or 
       bondedto (attr store1 < 27.4308908686  and attr store1 > 26.6308908686 ))) 
6 0.1 0.1 peak 1720 volume 13.09737 ppm1 0.834 ppm2 4.115
 
! ############### c13noe.1721 folded +
assi (attr store1 < 3.932 and attr store1 > 3.832 )
     ((attr store1 < 0.865 and attr store1 > 0.805 ) and 
      (bondedto (attr store1 < 122.878109131  and attr store1 > 122.078109131 ) or 
       bondedto (attr store1 < 75.154  and attr store1 > 74.354 ) or 
       bondedto (attr store1 < 27.4298908686  and attr store1 > 26.6298908686 ))) 
6 0.1 0.1 peak 1721 volume 12.28687 ppm1 0.835 ppm2 3.882
 
! ############### c13noe.1722 folded +
assi (attr store1 < 4.056 and attr store1 > 3.956 )
     ((attr store1 < 0.864 and attr store1 > 0.804 ) and 
      (bondedto (attr store1 < 122.876109131  and attr store1 > 122.076109131 ) or 
       bondedto (attr store1 < 75.152  and attr store1 > 74.352 ) or 
       bondedto (attr store1 < 27.4278908686  and attr store1 > 26.6278908686 ))) 
6 0.1 0.1 peak 1722 volume 14.39995 ppm1 0.834 ppm2 4.006
 
! ############### c13noe.1723 folded +
assi (attr store1 < 1.632 and attr store1 > 1.532 )
     ((attr store1 < 0.522 and attr store1 > 0.462 ) and 
      (bondedto (attr store1 < 122.899109131  and attr store1 > 122.099109131 ) or 
       bondedto (attr store1 < 75.175  and attr store1 > 74.375 ) or 
       bondedto (attr store1 < 27.4508908686  and attr store1 > 26.6508908686 ))) 
6 0.1 0.1 peak 1723 volume 13.63925 ppm1 0.492 ppm2 1.582
 
! ############### c13noe.1724 folded +
assi (attr store1 < 1.765 and attr store1 > 1.665 )
     ((attr store1 < 0.505 and attr store1 > 0.445 ) and 
      (bondedto (attr store1 < 122.893109131  and attr store1 > 122.093109131 ) or 
       bondedto (attr store1 < 75.169  and attr store1 > 74.369 ) or 
       bondedto (attr store1 < 27.4448908686  and attr store1 > 26.6448908686 ))) 
6 0.1 0.1 peak 1724 volume 8.70405 ppm1 0.475 ppm2 1.715
 
! ############### c13noe.1725 folded -
assi (attr store1 < 4.912 and attr store1 > 4.812 )
     ((attr store1 < 3.893 and attr store1 > 3.833 ) and 
      (bondedto (attr store1 < 99.0400545657  and attr store1 > 98.2400545657 ) or 
       bondedto (attr store1 < 146.764163697  and attr store1 > 145.964163697) or 
       bondedto (attr store1 < 51.3159454343  and attr store1 > 50.5159454343 ))) 
6 0.1 0.1 peak 1725 volume 33.52704 ppm1 3.863 ppm2 4.862
 
! ############### c13noe.1726 folded -
assi (attr store1 < 2.124 and attr store1 > 2.024 )
     ((attr store1 < 3.817 and attr store1 > 3.757 ) and 
      (bondedto (attr store1 < 99.0300545657  and attr store1 > 98.2300545657 ) or 
       bondedto (attr store1 < 146.754163697  and attr store1 > 145.954163697) or 
       bondedto (attr store1 < 51.3059454343  and attr store1 > 50.5059454343 ))) 
6 0.1 0.1 peak 1726 volume 16.21204 ppm1 3.787 ppm2 2.074
 
! ############### c13noe.1727 folded -
assi (attr store1 < 4.907 and attr store1 > 4.807 )
     ((attr store1 < 3.804 and attr store1 > 3.744 ) and 
      (bondedto (attr store1 < 99.0360545657  and attr store1 > 98.2360545657 ) or 
       bondedto (attr store1 < 146.760163697  and attr store1 > 145.960163697) or 
       bondedto (attr store1 < 51.3119454343  and attr store1 > 50.5119454343 ))) 
6 0.1 0.1 peak 1727 volume 25.83791 ppm1 3.774 ppm2 4.857
 
! ############### c13noe.1728 folded -
assi (attr store1 < 2.018 and attr store1 > 1.918 )
     ((attr store1 < 3.794 and attr store1 > 3.734 ) and 
      (bondedto (attr store1 < 99.0150545657  and attr store1 > 98.2150545657 ) or 
       bondedto (attr store1 < 146.739163697  and attr store1 > 145.939163697) or 
       bondedto (attr store1 < 51.2909454343  and attr store1 > 50.4909454343 ))) 
6 0.1 0.1 peak 1728 volume 14.52736 ppm1 3.764 ppm2 1.968
 
! ############### c13noe.1729 folded -
assi (attr store1 < 1.881 and attr store1 > 1.781 )
     ((attr store1 < 3.796 and attr store1 > 3.736 ) and 
      (bondedto (attr store1 < 99.0470545657  and attr store1 > 98.2470545657 ) or 
       bondedto (attr store1 < 146.771163697  and attr store1 > 145.971163697) or 
       bondedto (attr store1 < 51.3229454343  and attr store1 > 50.5229454343 ))) 
6 0.1 0.1 peak 1729 volume 16.63396 ppm1 3.766 ppm2 1.831
 
! ############### c13noe.1730 folded -
assi (attr store1 < 2.119 and attr store1 > 2.019 )
     ((attr store1 < 3.789 and attr store1 > 3.729 ) and 
      (bondedto (attr store1 < 99.0670545657  and attr store1 > 98.2670545657 ) or 
       bondedto (attr store1 < 146.791163697  and attr store1 > 145.991163697) or 
       bondedto (attr store1 < 51.3429454343  and attr store1 > 50.5429454343 ))) 
6 0.1 0.1 peak 1730 volume 29.71293 ppm1 3.759 ppm2 2.069
 
! ############### c13noe.1731 folded -
assi (attr store1 < 2.521 and attr store1 > 2.421 )
     ((attr store1 < 3.507 and attr store1 > 3.447 ) and 
      (bondedto (attr store1 < 99.0410545657  and attr store1 > 98.2410545657 ) or 
       bondedto (attr store1 < 146.765163697  and attr store1 > 145.965163697) or 
       bondedto (attr store1 < 51.3169454343  and attr store1 > 50.5169454343 ))) 
6 0.1 0.1 peak 1731 volume 7.59205 ppm1 3.477 ppm2 2.471
 
! ############### c13noe.1732 folded -
assi (attr store1 < 2.123 and attr store1 > 2.023 )
     ((attr store1 < 3.502 and attr store1 > 3.442 ) and 
      (bondedto (attr store1 < 99.0280545657  and attr store1 > 98.2280545657 ) or 
       bondedto (attr store1 < 146.752163697  and attr store1 > 145.952163697) or 
       bondedto (attr store1 < 51.3039454343  and attr store1 > 50.5039454343 ))) 
6 0.1 0.1 peak 1732 volume 16.34384 ppm1 3.472 ppm2 2.073
 
! ############### c13noe.1733 folded -
assi (attr store1 < 1.881 and attr store1 > 1.781 )
     ((attr store1 < 3.504 and attr store1 > 3.444 ) and 
      (bondedto (attr store1 < 99.0440545657  and attr store1 > 98.2440545657 ) or 
       bondedto (attr store1 < 146.768163697  and attr store1 > 145.968163697) or 
       bondedto (attr store1 < 51.3199454343  and attr store1 > 50.5199454343 ))) 
6 0.1 0.1 peak 1733 volume 18.50668 ppm1 3.474 ppm2 1.831
 
! ############### c13noe.1734 folded -
assi (attr store1 < 2.003 and attr store1 > 1.903 )
     ((attr store1 < 3.5 and attr store1 > 3.44 ) and 
      (bondedto (attr store1 < 99.0470545657  and attr store1 > 98.2470545657 ) or 
       bondedto (attr store1 < 146.771163697  and attr store1 > 145.971163697) or 
       bondedto (attr store1 < 51.3229454343  and attr store1 > 50.5229454343 ))) 
6 0.1 0.1 peak 1734 volume 14.809 ppm1 3.470 ppm2 1.953
 
! ############### c13noe.1735 folded -
assi (attr store1 < 2.362 and attr store1 > 2.262 )
     ((attr store1 < 3.871 and attr store1 > 3.811 ) and 
      (bondedto (attr store1 < 98.8990545657  and attr store1 > 98.0990545657 ) or 
       bondedto (attr store1 < 146.623163697  and attr store1 > 145.823163697) or 
       bondedto (attr store1 < 51.1749454343  and attr store1 > 50.3749454343 ))) 
6 0.1 0.1 peak 1735 volume 13.93161 ppm1 3.841 ppm2 2.312
 
! ############### c13noe.1736 folded -
assi (attr store1 < 4.762 and attr store1 > 4.662 )
     ((attr store1 < 3.867 and attr store1 > 3.807 ) and 
      (bondedto (attr store1 < 98.9010545657  and attr store1 > 98.1010545657 ) or 
       bondedto (attr store1 < 146.625163697  and attr store1 > 145.825163697) or 
       bondedto (attr store1 < 51.1769454343  and attr store1 > 50.3769454343 ))) 
6 0.1 0.1 peak 1736 volume 112.37547 ppm1 3.837 ppm2 4.712
 
! ############### c13noe.1737 folded -
assi (attr store1 < 2.089 and attr store1 > 1.989 )
     ((attr store1 < 3.868 and attr store1 > 3.808 ) and 
      (bondedto (attr store1 < 98.9160545657  and attr store1 > 98.1160545657 ) or 
       bondedto (attr store1 < 146.640163697  and attr store1 > 145.840163697) or 
       bondedto (attr store1 < 51.1919454343  and attr store1 > 50.3919454343 ))) 
6 0.1 0.1 peak 1737 volume 86.15043 ppm1 3.838 ppm2 2.039
 
! ############### c13noe.1738 folded -
assi (attr store1 < 1.862 and attr store1 > 1.762 )
     ((attr store1 < 3.869 and attr store1 > 3.809 ) and 
      (bondedto (attr store1 < 98.8930545657  and attr store1 > 98.0930545657 ) or 
       bondedto (attr store1 < 146.617163697  and attr store1 > 145.817163697) or 
       bondedto (attr store1 < 51.1689454343  and attr store1 > 50.3689454343 ))) 
6 0.1 0.1 peak 1738 volume 7.2646 ppm1 3.839 ppm2 1.812
 
! ############### c13noe.1739 folded -
assi (attr store1 < 1.987 and attr store1 > 1.887 )
     ((attr store1 < 3.862 and attr store1 > 3.802 ) and 
      (bondedto (attr store1 < 98.9310545657  and attr store1 > 98.1310545657 ) or 
       bondedto (attr store1 < 146.655163697  and attr store1 > 145.855163697) or 
       bondedto (attr store1 < 51.2069454343  and attr store1 > 50.4069454343 ))) 
6 0.1 0.1 peak 1739 volume 17.57965 ppm1 3.832 ppm2 1.937
 
! ############### c13noe.1740 folded -
assi (attr store1 < 4.761 and attr store1 > 4.661 )
     ((attr store1 < 3.701 and attr store1 > 3.641 ) and 
      (bondedto (attr store1 < 98.9180545657  and attr store1 > 98.1180545657 ) or 
       bondedto (attr store1 < 146.642163697  and attr store1 > 145.842163697) or 
       bondedto (attr store1 < 51.1939454343  and attr store1 > 50.3939454343 ))) 
6 0.1 0.1 peak 1740 volume 105.52238 ppm1 3.671 ppm2 4.711
 
! ############### c13noe.1741 folded -
assi (attr store1 < 1.972 and attr store1 > 1.872 )
     ((attr store1 < 3.701 and attr store1 > 3.641 ) and 
      (bondedto (attr store1 < 98.9130545657  and attr store1 > 98.1130545657 ) or 
       bondedto (attr store1 < 146.637163697  and attr store1 > 145.837163697) or 
       bondedto (attr store1 < 51.1889454343  and attr store1 > 50.3889454343 ))) 
6 0.1 0.1 peak 1741 volume 28.56546 ppm1 3.671 ppm2 1.922
 
! ############### c13noe.1742 folded -
assi (attr store1 < 1.77 and attr store1 > 1.67 )
     ((attr store1 < 3.701 and attr store1 > 3.641 ) and 
      (bondedto (attr store1 < 98.9040545657  and attr store1 > 98.1040545657 ) or 
       bondedto (attr store1 < 146.628163697  and attr store1 > 145.828163697) or 
       bondedto (attr store1 < 51.1799454343  and attr store1 > 50.3799454343 ))) 
6 0.1 0.1 peak 1742 volume 8.2041 ppm1 3.671 ppm2 1.720
 
! ############### c13noe.1743 folded -
assi (attr store1 < 2.089 and attr store1 > 1.989 )
     ((attr store1 < 3.697 and attr store1 > 3.637 ) and 
      (bondedto (attr store1 < 98.9200545657  and attr store1 > 98.1200545657 ) or 
       bondedto (attr store1 < 146.644163697  and attr store1 > 145.844163697) or 
       bondedto (attr store1 < 51.1959454343  and attr store1 > 50.3959454343 ))) 
6 0.1 0.1 peak 1743 volume 59.47376 ppm1 3.667 ppm2 2.039
 
! ############### c13noe.1744 folded -
assi (attr store1 < 3.306 and attr store1 > 3.206 )
     ((attr store1 < 3.19 and attr store1 > 3.13 ) and 
      (bondedto (attr store1 < 98.9680545657  and attr store1 > 98.1680545657 ) or 
       bondedto (attr store1 < 146.692163697  and attr store1 > 145.892163697) or 
       bondedto (attr store1 < 51.2439454343  and attr store1 > 50.4439454343 ))) 
6 0.1 0.1 peak 1744 volume 28.80126 ppm1 3.160 ppm2 3.256
 
! ############### c13noe.1745 folded -
assi (attr store1 < 2.011 and attr store1 > 1.911 )
     ((attr store1 < 2.342 and attr store1 > 2.282 ) and 
      (bondedto (attr store1 < 98.9210545657  and attr store1 > 98.1210545657 ) or 
       bondedto (attr store1 < 146.645163697  and attr store1 > 145.845163697) or 
       bondedto (attr store1 < 51.1969454343  and attr store1 > 50.3969454343 ))) 
6 0.1 0.1 peak 1745 volume 16.68747 ppm1 2.312 ppm2 1.961
 
! ############### c13noe.1746 folded -
assi (attr store1 < 2.367 and attr store1 > 2.267 )
     ((attr store1 < 2.01 and attr store1 > 1.95 ) and 
      (bondedto (attr store1 < 98.9200545657  and attr store1 > 98.1200545657 ) or 
       bondedto (attr store1 < 146.644163697  and attr store1 > 145.844163697) or 
       bondedto (attr store1 < 51.1959454343  and attr store1 > 50.3959454343 ))) 
6 0.1 0.1 peak 1746 volume 15.3581 ppm1 1.980 ppm2 2.317
 
! ############### c13noe.1747 folded -
assi (attr store1 < 2.361 and attr store1 > 2.261 )
     ((attr store1 < 1.973 and attr store1 > 1.913 ) and 
      (bondedto (attr store1 < 98.9010545657  and attr store1 > 98.1010545657 ) or 
       bondedto (attr store1 < 146.625163697  and attr store1 > 145.825163697) or 
       bondedto (attr store1 < 51.1769454343  and attr store1 > 50.3769454343 ))) 
6 0.1 0.1 peak 1747 volume 17.77604 ppm1 1.943 ppm2 2.311
 
! ############### c13noe.1748 folded +
assi (attr store1 < 8.806 and attr store1 > 8.706 )
     ((attr store1 < 1.686 and attr store1 > 1.626 ) and 
      (bondedto (attr store1 < 122.727109131  and attr store1 > 121.927109131 ) or 
       bondedto (attr store1 < 75.003  and attr store1 > 74.203 ) or 
       bondedto (attr store1 < 27.2788908686  and attr store1 > 26.4788908686 ))) 
6 0.1 0.1 peak 1748 volume 9.24158 ppm1 1.656 ppm2 8.756
 
! ############### c13noe.1749 folded +
assi (attr store1 < 3.987 and attr store1 > 3.887 )
     ((attr store1 < 1.674 and attr store1 > 1.614 ) and 
      (bondedto (attr store1 < 122.711109131  and attr store1 > 121.911109131 ) or 
       bondedto (attr store1 < 74.987  and attr store1 > 74.187 ) or 
       bondedto (attr store1 < 27.2628908686  and attr store1 > 26.4628908686 ))) 
6 0.1 0.1 peak 1749 volume 9.96823 ppm1 1.644 ppm2 3.937
 
! ############### c13noe.1750 folded +
assi (attr store1 < 1.494 and attr store1 > 1.394 )
     ((attr store1 < 1.676 and attr store1 > 1.616 ) and 
      (bondedto (attr store1 < 122.700109131  and attr store1 > 121.900109131 ) or 
       bondedto (attr store1 < 74.976  and attr store1 > 74.176 ) or 
       bondedto (attr store1 < 27.2518908686  and attr store1 > 26.4518908686 ))) 
6 0.1 0.1 peak 1750 volume 52.48164 ppm1 1.646 ppm2 1.444
 
! ############### c13noe.1751 folded +
assi (attr store1 < 8.806 and attr store1 > 8.706 )
     ((attr store1 < 1.475 and attr store1 > 1.415 ) and 
      (bondedto (attr store1 < 122.724109131  and attr store1 > 121.924109131 ) or 
       bondedto (attr store1 < 75.0  and attr store1 > 74.2 ) or 
       bondedto (attr store1 < 27.2758908686  and attr store1 > 26.4758908686 ))) 
6 0.1 0.1 peak 1751 volume 8.26147 ppm1 1.445 ppm2 8.756
 
! ############### c13noe.1752 folded +
assi (attr store1 < 0.955 and attr store1 > 0.855 )
     ((attr store1 < 1.475 and attr store1 > 1.415 ) and 
      (bondedto (attr store1 < 122.714109131  and attr store1 > 121.914109131 ) or 
       bondedto (attr store1 < 74.99  and attr store1 > 74.19 ) or 
       bondedto (attr store1 < 27.2658908686  and attr store1 > 26.4658908686 ))) 
6 0.1 0.1 peak 1752 volume 29.42227 ppm1 1.445 ppm2 0.905
 
! ############### c13noe.1753 folded +
assi (attr store1 < 3.985 and attr store1 > 3.885 )
     ((attr store1 < 1.471 and attr store1 > 1.411 ) and 
      (bondedto (attr store1 < 122.713109131  and attr store1 > 121.913109131 ) or 
       bondedto (attr store1 < 74.989  and attr store1 > 74.189 ) or 
       bondedto (attr store1 < 27.2648908686  and attr store1 > 26.4648908686 ))) 
6 0.1 0.1 peak 1753 volume 11.80775 ppm1 1.441 ppm2 3.935
 
! ############### c13noe.1754 folded +
assi (attr store1 < 1.988 and attr store1 > 1.888 )
     ((attr store1 < 1.471 and attr store1 > 1.411 ) and 
      (bondedto (attr store1 < 122.685109131  and attr store1 > 121.885109131 ) or 
       bondedto (attr store1 < 74.961  and attr store1 > 74.161 ) or 
       bondedto (attr store1 < 27.2368908686  and attr store1 > 26.4368908686 ))) 
6 0.1 0.1 peak 1754 volume 23.67590 ppm1 1.441 ppm2 1.938
 
! ############### c13noe.1755 folded +
assi (attr store1 < 1.71 and attr store1 > 1.61 )
     ((attr store1 < 1.47 and attr store1 > 1.41 ) and 
      (bondedto (attr store1 < 122.697109131  and attr store1 > 121.897109131 ) or 
       bondedto (attr store1 < 74.973  and attr store1 > 74.173 ) or 
       bondedto (attr store1 < 27.2488908686  and attr store1 > 26.4488908686 ))) 
6 0.1 0.1 peak 1755 volume 94.32392 ppm1 1.440 ppm2 1.660
 
! ############### c13noe.1756 folded +
assi (attr store1 < 8.499 and attr store1 > 8.399 )
     ((attr store1 < 1.086 and attr store1 > 1.026 ) and 
      (bondedto (attr store1 < 122.672109131  and attr store1 > 121.872109131 ) or 
       bondedto (attr store1 < 74.948  and attr store1 > 74.148 ) or 
       bondedto (attr store1 < 27.2238908686  and attr store1 > 26.4238908686 ))) 
6 0.1 0.1 peak 1756 volume 20.17639 ppm1 1.056 ppm2 8.449
 
! ############### c13noe.1757 folded +
assi (attr store1 < 3.4 and attr store1 > 3.3 )
     ((attr store1 < 1.086 and attr store1 > 1.026 ) and 
      (bondedto (attr store1 < 122.675109131  and attr store1 > 121.875109131 ) or 
       bondedto (attr store1 < 74.951  and attr store1 > 74.151 ) or 
       bondedto (attr store1 < 27.2268908686  and attr store1 > 26.4268908686 ))) 
6 0.1 0.1 peak 1757 volume 19.24298 ppm1 1.056 ppm2 3.350
 
! ############### c13noe.1758 folded +
assi (attr store1 < 7.598 and attr store1 > 7.498 )
     ((attr store1 < 1.082 and attr store1 > 1.022 ) and 
      (bondedto (attr store1 < 122.689109131  and attr store1 > 121.889109131 ) or 
       bondedto (attr store1 < 74.965  and attr store1 > 74.165 ) or 
       bondedto (attr store1 < 27.2408908686  and attr store1 > 26.4408908686 ))) 
6 0.1 0.1 peak 1758 volume 10.05895 ppm1 1.052 ppm2 7.548
 
! ############### c13noe.1759 folded -
assi (attr store1 < 4.9 and attr store1 > 4.8 )
     ((attr store1 < 4.036 and attr store1 > 3.976 ) and 
      (bondedto (attr store1 < 98.8490545657  and attr store1 > 98.0490545657 ) or 
       bondedto (attr store1 < 146.573163697  and attr store1 > 145.773163697) or 
       bondedto (attr store1 < 51.1249454343  and attr store1 > 50.3249454343 ))) 
6 0.1 0.1 peak 1759 volume 9.89719 ppm1 4.006 ppm2 4.850
 
! ############### c13noe.1760 folded -
assi (attr store1 < 0.996 and attr store1 > 0.896 )
     ((attr store1 < 4.029 and attr store1 > 3.969 ) and 
      (bondedto (attr store1 < 98.8250545657  and attr store1 > 98.0250545657 ) or 
       bondedto (attr store1 < 146.549163697  and attr store1 > 145.749163697) or 
       bondedto (attr store1 < 51.1009454343  and attr store1 > 50.3009454343 ))) 
6 0.1 0.1 peak 1760 volume 9.72774 ppm1 3.999 ppm2 0.946
 
! ############### c13noe.1761 folded -
assi (attr store1 < 3.581 and attr store1 > 3.481 )
     ((attr store1 < 4.019 and attr store1 > 3.959 ) and 
      (bondedto (attr store1 < 98.8110545657  and attr store1 > 98.0110545657 ) or 
       bondedto (attr store1 < 146.535163697  and attr store1 > 145.735163697) or 
       bondedto (attr store1 < 51.0869454343  and attr store1 > 50.2869454343 ))) 
6 0.1 0.1 peak 1761 volume 16.39014 ppm1 3.989 ppm2 3.531
 
! ############### c13noe.1762 folded -
assi (attr store1 < 2.167 and attr store1 > 2.067 )
     ((attr store1 < 4.02 and attr store1 > 3.96 ) and 
      (bondedto (attr store1 < 98.8480545657  and attr store1 > 98.0480545657 ) or 
       bondedto (attr store1 < 146.572163697  and attr store1 > 145.772163697) or 
       bondedto (attr store1 < 51.1239454343  and attr store1 > 50.3239454343 ))) 
6 0.1 0.1 peak 1762 volume 12.60548 ppm1 3.990 ppm2 2.117
 
! ############### c13noe.1763 folded -
assi (attr store1 < 1.858 and attr store1 > 1.758 )
     ((attr store1 < 3.7 and attr store1 > 3.64 ) and 
      (bondedto (attr store1 < 98.8900545657  and attr store1 > 98.0900545657 ) or 
       bondedto (attr store1 < 146.614163697  and attr store1 > 145.814163697) or 
       bondedto (attr store1 < 51.1659454343  and attr store1 > 50.3659454343 ))) 
6 0.1 0.1 peak 1763 volume 11.34633 ppm1 3.670 ppm2 1.808
 
! ############### c13noe.1764 folded -
assi (attr store1 < 4.038 and attr store1 > 3.938 )
     ((attr store1 < 3.559 and attr store1 > 3.499 ) and 
      (bondedto (attr store1 < 98.8420545657  and attr store1 > 98.0420545657 ) or 
       bondedto (attr store1 < 146.566163697  and attr store1 > 145.766163697) or 
       bondedto (attr store1 < 51.1179454343  and attr store1 > 50.3179454343 ))) 
6 0.1 0.1 peak 1764 volume 17.29951 ppm1 3.529 ppm2 3.988
 
! ############### c13noe.1765 folded -
assi (attr store1 < 2.017 and attr store1 > 1.917 )
     ((attr store1 < 3.558 and attr store1 > 3.498 ) and 
      (bondedto (attr store1 < 98.8640545657  and attr store1 > 98.0640545657 ) or 
       bondedto (attr store1 < 146.588163697  and attr store1 > 145.788163697) or 
       bondedto (attr store1 < 51.1399454343  and attr store1 > 50.3399454343 ))) 
6 0.1 0.1 peak 1765 volume 8.41983 ppm1 3.528 ppm2 1.967
 
! ############### c13noe.1766 folded -
assi (attr store1 < 1.818 and attr store1 > 1.718 )
     ((attr store1 < 3.56 and attr store1 > 3.5 ) and 
      (bondedto (attr store1 < 98.8370545657  and attr store1 > 98.0370545657 ) or 
       bondedto (attr store1 < 146.561163697  and attr store1 > 145.761163697) or 
       bondedto (attr store1 < 51.1129454343  and attr store1 > 50.3129454343 ))) 
6 0.1 0.1 peak 1766 volume 7.68894 ppm1 3.530 ppm2 1.768
 
! ############### c13noe.1767 folded -
assi (attr store1 < 2.157 and attr store1 > 2.057 )
     ((attr store1 < 3.552 and attr store1 > 3.492 ) and 
      (bondedto (attr store1 < 98.8200545657  and attr store1 > 98.0200545657 ) or 
       bondedto (attr store1 < 146.544163697  and attr store1 > 145.744163697) or 
       bondedto (attr store1 < 51.0959454343  and attr store1 > 50.2959454343 ))) 
6 0.1 0.1 peak 1767 volume 13.38882 ppm1 3.522 ppm2 2.107
 
! ############### c13noe.1768 folded -
assi (attr store1 < 1.004 and attr store1 > 0.904 )
     ((attr store1 < 3.552 and attr store1 > 3.492 ) and 
      (bondedto (attr store1 < 98.8120545657  and attr store1 > 98.0120545657 ) or 
       bondedto (attr store1 < 146.536163697  and attr store1 > 145.736163697) or 
       bondedto (attr store1 < 51.0879454343  and attr store1 > 50.2879454343 ))) 
6 0.1 0.1 peak 1768 volume 10.14503 ppm1 3.522 ppm2 0.954
 
! ############### c13noe.1769 folded -
assi (attr store1 < 3.215 and attr store1 > 3.115 )
     ((attr store1 < 3.283 and attr store1 > 3.223 ) and 
      (bondedto (attr store1 < 98.8780545657  and attr store1 > 98.0780545657 ) or 
       bondedto (attr store1 < 146.602163697  and attr store1 > 145.802163697) or 
       bondedto (attr store1 < 51.1539454343  and attr store1 > 50.3539454343 ))) 
6 0.1 0.1 peak 1769 volume 22.45668 ppm1 3.253 ppm2 3.165
 
! ############### c13noe.1770 folded -
assi (attr store1 < 2.004 and attr store1 > 1.904 )
     ((attr store1 < 2.334 and attr store1 > 2.274 ) and 
      (bondedto (attr store1 < 98.8800545657  and attr store1 > 98.0800545657 ) or 
       bondedto (attr store1 < 146.604163697  and attr store1 > 145.804163697) or 
       bondedto (attr store1 < 51.1559454343  and attr store1 > 50.3559454343 ))) 
6 0.1 0.1 peak 1770 volume 18.72869 ppm1 2.304 ppm2 1.954
 
! ############### c13noe.1771 folded +
assi (attr store1 < 8.749 and attr store1 > 8.649 )
     ((attr store1 < 1.086 and attr store1 > 1.026 ) and 
      (bondedto (attr store1 < 122.636109131  and attr store1 > 121.836109131 ) or 
       bondedto (attr store1 < 74.912  and attr store1 > 74.112 ) or 
       bondedto (attr store1 < 27.1878908686  and attr store1 > 26.3878908686 ))) 
6 0.1 0.1 peak 1771 volume 10.73949 ppm1 1.056 ppm2 8.699
 
! ############### c13noe.1772 folded +
assi (attr store1 < 4.519 and attr store1 > 4.419 )
     ((attr store1 < 1.086 and attr store1 > 1.026 ) and 
      (bondedto (attr store1 < 122.642109131  and attr store1 > 121.842109131 ) or 
       bondedto (attr store1 < 74.918  and attr store1 > 74.118 ) or 
       bondedto (attr store1 < 27.1938908686  and attr store1 > 26.3938908686 ))) 
6 0.1 0.1 peak 1772 volume 14.54915 ppm1 1.056 ppm2 4.469
 
! ############### c13noe.1773 folded +
assi (attr store1 < 4.386 and attr store1 > 4.286 )
     ((attr store1 < 1.086 and attr store1 > 1.026 ) and 
      (bondedto (attr store1 < 122.647109131  and attr store1 > 121.847109131 ) or 
       bondedto (attr store1 < 74.923  and attr store1 > 74.123 ) or 
       bondedto (attr store1 < 27.1988908686  and attr store1 > 26.3988908686 ))) 
6 0.1 0.1 peak 1773 volume 34.35358 ppm1 1.056 ppm2 4.336
 
! ############### c13noe.1774 folded +
assi (attr store1 < 4.235 and attr store1 > 4.135 )
     ((attr store1 < 1.086 and attr store1 > 1.026 ) and 
      (bondedto (attr store1 < 122.648109131  and attr store1 > 121.848109131 ) or 
       bondedto (attr store1 < 74.924  and attr store1 > 74.124 ) or 
       bondedto (attr store1 < 27.1998908686  and attr store1 > 26.3998908686 ))) 
6 0.1 0.1 peak 1774 volume 30.23592 ppm1 1.056 ppm2 4.185
 
! ############### c13noe.1775 folded +
assi (attr store1 < 4.112 and attr store1 > 4.012 )
     ((attr store1 < 1.086 and attr store1 > 1.026 ) and 
      (bondedto (attr store1 < 122.657109131  and attr store1 > 121.857109131 ) or 
       bondedto (attr store1 < 74.933  and attr store1 > 74.133 ) or 
       bondedto (attr store1 < 27.2088908686  and attr store1 > 26.4088908686 ))) 
6 0.1 0.1 peak 1775 volume 26.91630 ppm1 1.056 ppm2 4.062
 
! ############### c13noe.1776 folded +
assi (attr store1 < 4.241 and attr store1 > 4.141 )
     ((attr store1 < 0.95 and attr store1 > 0.89 ) and 
      (bondedto (attr store1 < 122.652109131  and attr store1 > 121.852109131 ) or 
       bondedto (attr store1 < 74.928  and attr store1 > 74.128 ) or 
       bondedto (attr store1 < 27.2038908686  and attr store1 > 26.4038908686 ))) 
6 0.1 0.1 peak 1776 volume 9.03653 ppm1 0.920 ppm2 4.191
 
! ############### c13noe.1777 folded +
assi (attr store1 < 3.64 and attr store1 > 3.54 )
     ((attr store1 < 0.943 and attr store1 > 0.883 ) and 
      (bondedto (attr store1 < 122.572109131  and attr store1 > 121.772109131 ) or 
       bondedto (attr store1 < 74.848  and attr store1 > 74.048 ) or 
       bondedto (attr store1 < 27.1238908686  and attr store1 > 26.3238908686 ))) 
6 0.1 0.1 peak 1777 volume 10.92334 ppm1 0.913 ppm2 3.590
 
! ############### c13noe.1778 folded +
assi (attr store1 < 8.696 and attr store1 > 8.596 )
     ((attr store1 < 0.939 and attr store1 > 0.879 ) and 
      (bondedto (attr store1 < 122.587109131  and attr store1 > 121.787109131 ) or 
       bondedto (attr store1 < 74.863  and attr store1 > 74.063 ) or 
       bondedto (attr store1 < 27.1388908686  and attr store1 > 26.3388908686 ))) 
6 0.1 0.1 peak 1778 volume 9.18304 ppm1 0.909 ppm2 8.646
 
! ############### c13noe.1779 folded -
assi (attr store1 < 3.595 and attr store1 > 3.495 )
     ((attr store1 < 4.03 and attr store1 > 3.97 ) and 
      (bondedto (attr store1 < 98.7950545657  and attr store1 > 97.9950545657 ) or 
       bondedto (attr store1 < 146.519163697  and attr store1 > 145.719163697) or 
       bondedto (attr store1 < 51.0709454343  and attr store1 > 50.2709454343 ))) 
6 0.1 0.1 peak 1779 volume 17.06611 ppm1 4.000 ppm2 3.545
 
! ############### c13noe.1780 folded -
assi (attr store1 < 4.9 and attr store1 > 4.8 )
     ((attr store1 < 4.013 and attr store1 > 3.953 ) and 
      (bondedto (attr store1 < 98.7640545657  and attr store1 > 97.9640545657 ) or 
       bondedto (attr store1 < 146.488163697  and attr store1 > 145.688163697) or 
       bondedto (attr store1 < 51.0399454343  and attr store1 > 50.2399454343 ))) 
6 0.1 0.1 peak 1780 volume 12.97723 ppm1 3.983 ppm2 4.850
 
! ############### c13noe.1781 folded -
assi (attr store1 < 4.891 and attr store1 > 4.791 )
     ((attr store1 < 3.559 and attr store1 > 3.499 ) and 
      (bondedto (attr store1 < 98.7600545657  and attr store1 > 97.9600545657 ) or 
       bondedto (attr store1 < 146.484163697  and attr store1 > 145.684163697) or 
       bondedto (attr store1 < 51.0359454343  and attr store1 > 50.2359454343 ))) 
6 0.1 0.1 peak 1781 volume 11.13969 ppm1 3.529 ppm2 4.841
 
! ############### c13noe.1782 folded -
assi (attr store1 < 2.719 and attr store1 > 2.619 )
     ((attr store1 < 2.784 and attr store1 > 2.724 ) and 
      (bondedto (attr store1 < 98.7420545657  and attr store1 > 97.9420545657 ) or 
       bondedto (attr store1 < 146.466163697  and attr store1 > 145.666163697) or 
       bondedto (attr store1 < 51.0179454343  and attr store1 > 50.2179454343 ))) 
6 0.1 0.1 peak 1782 volume 9.03973 ppm1 2.754 ppm2 2.669
 
! ############### c13noe.1783 folded -
assi (attr store1 < 2.809 and attr store1 > 2.709 )
     ((attr store1 < 2.688 and attr store1 > 2.628 ) and 
      (bondedto (attr store1 < 98.7390545657  and attr store1 > 97.9390545657 ) or 
       bondedto (attr store1 < 146.463163697  and attr store1 > 145.663163697) or 
       bondedto (attr store1 < 51.0149454343  and attr store1 > 50.2149454343 ))) 
6 0.1 0.1 peak 1783 volume 7.4458 ppm1 2.658 ppm2 2.759
 
! ############### c13noe.1784 folded -
assi (attr store1 < 1.111 and attr store1 > 1.011 )
     ((attr store1 < 1.722 and attr store1 > 1.662 ) and 
      (bondedto (attr store1 < 98.7480545657  and attr store1 > 97.9480545657 ) or 
       bondedto (attr store1 < 146.472163697  and attr store1 > 145.672163697) or 
       bondedto (attr store1 < 51.0239454343  and attr store1 > 50.2239454343 ))) 
6 0.1 0.1 peak 1784 volume 17.31367 ppm1 1.692 ppm2 1.061
 
! ############### c13noe.1785 folded +
assi (attr store1 < 8.575 and attr store1 > 8.475 )
     ((attr store1 < 0.942 and attr store1 > 0.882 ) and 
      (bondedto (attr store1 < 122.530109131  and attr store1 > 121.730109131 ) or 
       bondedto (attr store1 < 74.806  and attr store1 > 74.006 ) or 
       bondedto (attr store1 < 27.0818908686  and attr store1 > 26.2818908686 ))) 
6 0.1 0.1 peak 1785 volume 7.66630 ppm1 0.912 ppm2 8.525
 
! ############### c13noe.1786 folded +
assi (attr store1 < 8.06 and attr store1 > 7.96 )
     ((attr store1 < 0.941 and attr store1 > 0.881 ) and 
      (bondedto (attr store1 < 122.557109131  and attr store1 > 121.757109131 ) or 
       bondedto (attr store1 < 74.833  and attr store1 > 74.033 ) or 
       bondedto (attr store1 < 27.1088908686  and attr store1 > 26.3088908686 ))) 
6 0.1 0.1 peak 1786 volume 11.10759 ppm1 0.911 ppm2 8.010
 
! ############### c13noe.1787 folded +
assi (attr store1 < 4.101 and attr store1 > 4.001 )
     ((attr store1 < 0.941 and attr store1 > 0.881 ) and 
      (bondedto (attr store1 < 122.548109131  and attr store1 > 121.748109131 ) or 
       bondedto (attr store1 < 74.824  and attr store1 > 74.024 ) or 
       bondedto (attr store1 < 27.0998908686  and attr store1 > 26.2998908686 ))) 
6 0.1 0.1 peak 1787 volume 23.09623 ppm1 0.911 ppm2 4.051
 
! ############### c13noe.1788 folded +
assi (attr store1 < 4.004 and attr store1 > 3.904 )
     ((attr store1 < 0.942 and attr store1 > 0.882 ) and 
      (bondedto (attr store1 < 122.527109131  and attr store1 > 121.727109131 ) or 
       bondedto (attr store1 < 74.803  and attr store1 > 74.003 ) or 
       bondedto (attr store1 < 27.0788908686  and attr store1 > 26.2788908686 ))) 
6 0.1 0.1 peak 1788 volume 13.15310 ppm1 0.912 ppm2 3.954
 
! ############### c13noe.1789 folded -
assi (attr store1 < 3.991 and attr store1 > 3.891 )
     ((attr store1 < 4.075 and attr store1 > 4.015 ) and 
      (bondedto (attr store1 < 98.6650545657  and attr store1 > 97.8650545657 ) or 
       bondedto (attr store1 < 146.389163697  and attr store1 > 145.589163697) or 
       bondedto (attr store1 < 50.9409454343  and attr store1 > 50.1409454343 ))) 
6 0.1 0.1 peak 1789 volume 52.37674 ppm1 4.045 ppm2 3.941
 
! ############### c13noe.1790 folded -
assi (attr store1 < 1.502 and attr store1 > 1.402 )
     ((attr store1 < 1.229 and attr store1 > 1.169 ) and 
      (bondedto (attr store1 < 98.6840545657  and attr store1 > 97.8840545657 ) or 
       bondedto (attr store1 < 146.408163697  and attr store1 > 145.608163697) or 
       bondedto (attr store1 < 50.9599454343  and attr store1 > 50.1599454343 ))) 
6 0.1 0.1 peak 1790 volume 30.48269 ppm1 1.199 ppm2 1.452
 
! ############### c13noe.1791 folded +
assi (attr store1 < 3.218 and attr store1 > 3.118 )
     ((attr store1 < 3.273 and attr store1 > 3.213 ) and 
      (bondedto (attr store1 < 122.401109131  and attr store1 > 121.601109131 ) or 
       bondedto (attr store1 < 74.677  and attr store1 > 73.877 ) or 
       bondedto (attr store1 < 26.9528908686  and attr store1 > 26.1528908686 ))) 
6 0.1 0.1 peak 1791 volume 20.06539 ppm1 3.243 ppm2 3.168
 
! ############### c13noe.1792 folded +
assi (attr store1 < 3.298 and attr store1 > 3.198 )
     ((attr store1 < 3.199 and attr store1 > 3.139 ) and 
      (bondedto (attr store1 < 122.395109131  and attr store1 > 121.595109131 ) or 
       bondedto (attr store1 < 74.671  and attr store1 > 73.871 ) or 
       bondedto (attr store1 < 26.9468908686  and attr store1 > 26.1468908686 ))) 
6 0.1 0.1 peak 1792 volume 17.25487 ppm1 3.169 ppm2 3.248
 
! ############### c13noe.1793 folded +
assi (attr store1 < 7.871 and attr store1 > 7.771 )
     ((attr store1 < 2.0 and attr store1 > 1.94 ) and 
      (bondedto (attr store1 < 122.436109131  and attr store1 > 121.636109131 ) or 
       bondedto (attr store1 < 74.712  and attr store1 > 73.912 ) or 
       bondedto (attr store1 < 26.9878908686  and attr store1 > 26.1878908686 ))) 
6 0.1 0.1 peak 1793 volume 7.47384 ppm1 1.970 ppm2 7.821
 
! ############### c13noe.1794 folded +
assi (attr store1 < 0.995 and attr store1 > 0.895 )
     ((attr store1 < 1.988 and attr store1 > 1.928 ) and 
      (bondedto (attr store1 < 122.444109131  and attr store1 > 121.644109131 ) or 
       bondedto (attr store1 < 74.72  and attr store1 > 73.92 ) or 
       bondedto (attr store1 < 26.9958908686  and attr store1 > 26.1958908686 ))) 
6 0.1 0.1 peak 1794 volume 18.46434 ppm1 1.958 ppm2 0.945
 
! ############### c13noe.1795 folded +
assi (attr store1 < 2.961 and attr store1 > 2.861 )
     ((attr store1 < 1.865 and attr store1 > 1.805 ) and 
      (bondedto (attr store1 < 122.399109131  and attr store1 > 121.599109131 ) or 
       bondedto (attr store1 < 74.675  and attr store1 > 73.875 ) or 
       bondedto (attr store1 < 26.9508908686  and attr store1 > 26.1508908686 ))) 
6 0.1 0.1 peak 1795 volume 7.14172 ppm1 1.835 ppm2 2.911
 
! ############### c13noe.1796 folded +
assi (attr store1 < 2.969 and attr store1 > 2.869 )
     ((attr store1 < 1.468 and attr store1 > 1.408 ) and 
      (bondedto (attr store1 < 122.445109131  and attr store1 > 121.645109131 ) or 
       bondedto (attr store1 < 74.721  and attr store1 > 73.921 ) or 
       bondedto (attr store1 < 26.9968908686  and attr store1 > 26.1968908686 ))) 
6 0.1 0.1 peak 1796 volume 13.91428 ppm1 1.438 ppm2 2.919
 
! ############### c13noe.1797 folded -
assi (attr store1 < 4.092 and attr store1 > 3.992 )
     ((attr store1 < 3.985 and attr store1 > 3.925 ) and 
      (bondedto (attr store1 < 98.5530545657  and attr store1 > 97.7530545657 ) or 
       bondedto (attr store1 < 146.277163697  and attr store1 > 145.477163697) or 
       bondedto (attr store1 < 50.8289454343  and attr store1 > 50.0289454343 ))) 
6 0.1 0.1 peak 1797 volume 32.25488 ppm1 3.955 ppm2 4.042
 
! ############### c13noe.1798 folded -
assi (attr store1 < 4.73 and attr store1 > 4.63 )
     ((attr store1 < 3.908 and attr store1 > 3.848 ) and 
      (bondedto (attr store1 < 98.5720545657  and attr store1 > 97.7720545657 ) or 
       bondedto (attr store1 < 146.296163697  and attr store1 > 145.496163697) or 
       bondedto (attr store1 < 50.8479454343  and attr store1 > 50.0479454343 ))) 
6 0.1 0.1 peak 1798 volume 16.43862 ppm1 3.878 ppm2 4.680
 
! ############### c13noe.1799 folded -
assi (attr store1 < 2.252 and attr store1 > 2.152 )
     ((attr store1 < 3.897 and attr store1 > 3.837 ) and 
      (bondedto (attr store1 < 98.5660545657  and attr store1 > 97.7660545657 ) or 
       bondedto (attr store1 < 146.290163697  and attr store1 > 145.490163697) or 
       bondedto (attr store1 < 50.8419454343  and attr store1 > 50.0419454343 ))) 
6 0.1 0.1 peak 1799 volume 12.08229 ppm1 3.867 ppm2 2.202
 
! ############### c13noe.1800 folded -
assi (attr store1 < 1.974 and attr store1 > 1.874 )
     ((attr store1 < 3.899 and attr store1 > 3.839 ) and 
      (bondedto (attr store1 < 98.5840545657  and attr store1 > 97.7840545657 ) or 
       bondedto (attr store1 < 146.308163697  and attr store1 > 145.508163697) or 
       bondedto (attr store1 < 50.8599454343  and attr store1 > 50.0599454343 ))) 
6 0.1 0.1 peak 1800 volume 9.76994 ppm1 3.869 ppm2 1.924
 
! ############### c13noe.1801 folded -
assi (attr store1 < 4.727 and attr store1 > 4.627 )
     ((attr store1 < 3.791 and attr store1 > 3.731 ) and 
      (bondedto (attr store1 < 98.5610545657  and attr store1 > 97.7610545657 ) or 
       bondedto (attr store1 < 146.285163697  and attr store1 > 145.485163697) or 
       bondedto (attr store1 < 50.8369454343  and attr store1 > 50.0369454343 ))) 
6 0.1 0.1 peak 1801 volume 14.43108 ppm1 3.761 ppm2 4.677
 
! ############### c13noe.1802 folded -
assi (attr store1 < 1.972 and attr store1 > 1.872 )
     ((attr store1 < 3.788 and attr store1 > 3.728 ) and 
      (bondedto (attr store1 < 98.5800545657  and attr store1 > 97.7800545657 ) or 
       bondedto (attr store1 < 146.304163697  and attr store1 > 145.504163697) or 
       bondedto (attr store1 < 50.8559454343  and attr store1 > 50.0559454343 ))) 
6 0.1 0.1 peak 1802 volume 8.73277 ppm1 3.758 ppm2 1.922
 
! ############### c13noe.1803 folded -
assi (attr store1 < 1.652 and attr store1 > 1.552 )
     ((attr store1 < 3.783 and attr store1 > 3.723 ) and 
      (bondedto (attr store1 < 98.5880545657  and attr store1 > 97.7880545657 ) or 
       bondedto (attr store1 < 146.312163697  and attr store1 > 145.512163697) or 
       bondedto (attr store1 < 50.8639454343  and attr store1 > 50.0639454343 ))) 
6 0.1 0.1 peak 1803 volume 10.26613 ppm1 3.753 ppm2 1.602
 
! ############### c13noe.1804 folded -
assi (attr store1 < 2.253 and attr store1 > 2.153 )
     ((attr store1 < 3.779 and attr store1 > 3.719 ) and 
      (bondedto (attr store1 < 98.5510545657  and attr store1 > 97.7510545657 ) or 
       bondedto (attr store1 < 146.275163697  and attr store1 > 145.475163697) or 
       bondedto (attr store1 < 50.8269454343  and attr store1 > 50.0269454343 ))) 
6 0.1 0.1 peak 1804 volume 7.53036 ppm1 3.749 ppm2 2.203
 
! ############### c13noe.1805 folded -
assi (attr store1 < 1.498 and attr store1 > 1.398 )
     ((attr store1 < 1.245 and attr store1 > 1.185 ) and 
      (bondedto (attr store1 < 98.5920545657  and attr store1 > 97.7920545657 ) or 
       bondedto (attr store1 < 146.316163697  and attr store1 > 145.516163697) or 
       bondedto (attr store1 < 50.8679454343  and attr store1 > 50.0679454343 ))) 
6 0.1 0.1 peak 1805 volume 25.52563 ppm1 1.215 ppm2 1.448
 
! ############### c13noe.1806 folded +
assi (attr store1 < 3.208 and attr store1 > 3.108 )
     ((attr store1 < 3.295 and attr store1 > 3.235 ) and 
      (bondedto (attr store1 < 122.359109131  and attr store1 > 121.559109131 ) or 
       bondedto (attr store1 < 74.635  and attr store1 > 73.835 ) or 
       bondedto (attr store1 < 26.9108908686  and attr store1 > 26.1108908686 ))) 
6 0.1 0.1 peak 1806 volume 13.82335 ppm1 3.265 ppm2 3.158
 
! ############### c13noe.1807 folded +
assi (attr store1 < 3.301 and attr store1 > 3.201 )
     ((attr store1 < 3.285 and attr store1 > 3.225 ) and 
      (bondedto (attr store1 < 122.338109131  and attr store1 > 121.538109131 ) or 
       bondedto (attr store1 < 74.614  and attr store1 > 73.814 ) or 
       bondedto (attr store1 < 26.8898908686  and attr store1 > 26.0898908686 ))) 
6 0.1 0.1 peak 1807 volume 57.47247 ppm1 3.255 ppm2 3.251
 
! ############### c13noe.1808 folded +
assi (attr store1 < 3.205 and attr store1 > 3.105 )
     ((attr store1 < 3.191 and attr store1 > 3.131 ) and 
      (bondedto (attr store1 < 122.322109131  and attr store1 > 121.522109131 ) or 
       bondedto (attr store1 < 74.598  and attr store1 > 73.798 ) or 
       bondedto (attr store1 < 26.8738908686  and attr store1 > 26.0738908686 ))) 
6 0.1 0.1 peak 1808 volume 21.40311 ppm1 3.161 ppm2 3.155
 
! ############### c13noe.1809 folded +
assi (attr store1 < 2.989 and attr store1 > 2.889 )
     ((attr store1 < 2.97 and attr store1 > 2.91 ) and 
      (bondedto (attr store1 < 122.332109131  and attr store1 > 121.532109131 ) or 
       bondedto (attr store1 < 74.608  and attr store1 > 73.808 ) or 
       bondedto (attr store1 < 26.8838908686  and attr store1 > 26.0838908686 ))) 
6 0.1 0.1 peak 1809 volume 8.96362 ppm1 2.940 ppm2 2.939
 
! ############### c13noe.1810 folded +
assi (attr store1 < 0.893 and attr store1 > 0.793 )
     ((attr store1 < 1.985 and attr store1 > 1.925 ) and 
      (bondedto (attr store1 < 122.359109131  and attr store1 > 121.559109131 ) or 
       bondedto (attr store1 < 74.635  and attr store1 > 73.835 ) or 
       bondedto (attr store1 < 26.9108908686  and attr store1 > 26.1108908686 ))) 
6 0.1 0.1 peak 1810 volume 36.92145 ppm1 1.955 ppm2 0.843
 
! ############### c13noe.1811 folded +
assi (attr store1 < 2.087 and attr store1 > 1.987 )
     ((attr store1 < 1.867 and attr store1 > 1.807 ) and 
      (bondedto (attr store1 < 122.358109131  and attr store1 > 121.558109131 ) or 
       bondedto (attr store1 < 74.634  and attr store1 > 73.834 ) or 
       bondedto (attr store1 < 26.9098908686  and attr store1 > 26.1098908686 ))) 
6 0.1 0.1 peak 1811 volume 10.84078 ppm1 1.837 ppm2 2.037
 
! ############### c13noe.1812 folded +
assi (attr store1 < 1.514 and attr store1 > 1.414 )
     ((attr store1 < 1.864 and attr store1 > 1.804 ) and 
      (bondedto (attr store1 < 122.345109131  and attr store1 > 121.545109131 ) or 
       bondedto (attr store1 < 74.621  and attr store1 > 73.821 ) or 
       bondedto (attr store1 < 26.8968908686  and attr store1 > 26.0968908686 ))) 
6 0.1 0.1 peak 1812 volume 26.00623 ppm1 1.834 ppm2 1.464
 
! ############### c13noe.1813 folded +
assi (attr store1 < 4.18 and attr store1 > 4.08 )
     ((attr store1 < 1.852 and attr store1 > 1.792 ) and 
      (bondedto (attr store1 < 122.374109131  and attr store1 > 121.574109131 ) or 
       bondedto (attr store1 < 74.65  and attr store1 > 73.85 ) or 
       bondedto (attr store1 < 26.9258908686  and attr store1 > 26.1258908686 ))) 
6 0.1 0.1 peak 1813 volume 7.56744 ppm1 1.822 ppm2 4.130
 
! ############### c13noe.1814 folded +
assi (attr store1 < 4.182 and attr store1 > 4.082 )
     ((attr store1 < 1.49 and attr store1 > 1.43 ) and 
      (bondedto (attr store1 < 122.355109131  and attr store1 > 121.555109131 ) or 
       bondedto (attr store1 < 74.631  and attr store1 > 73.831 ) or 
       bondedto (attr store1 < 26.9068908686  and attr store1 > 26.1068908686 ))) 
6 0.1 0.1 peak 1814 volume 10.43034 ppm1 1.460 ppm2 4.132
 
! ############### c13noe.1815 folded +
assi (attr store1 < 2.092 and attr store1 > 1.992 )
     ((attr store1 < 1.493 and attr store1 > 1.433 ) and 
      (bondedto (attr store1 < 122.347109131  and attr store1 > 121.547109131 ) or 
       bondedto (attr store1 < 74.623  and attr store1 > 73.823 ) or 
       bondedto (attr store1 < 26.8988908686  and attr store1 > 26.0988908686 ))) 
6 0.1 0.1 peak 1815 volume 13.16973 ppm1 1.463 ppm2 2.042
 
! ############### c13noe.1816 folded +
assi (attr store1 < 2.158 and attr store1 > 2.058 )
     ((attr store1 < 1.485 and attr store1 > 1.425 ) and 
      (bondedto (attr store1 < 122.373109131  and attr store1 > 121.573109131 ) or 
       bondedto (attr store1 < 74.649  and attr store1 > 73.849 ) or 
       bondedto (attr store1 < 26.9248908686  and attr store1 > 26.1248908686 ))) 
6 0.1 0.1 peak 1816 volume 14.37131 ppm1 1.455 ppm2 2.108
 
! ############### c13noe.1817 folded +
assi (attr store1 < 1.883 and attr store1 > 1.783 )
     ((attr store1 < 1.489 and attr store1 > 1.429 ) and 
      (bondedto (attr store1 < 122.351109131  and attr store1 > 121.551109131 ) or 
       bondedto (attr store1 < 74.627  and attr store1 > 73.827 ) or 
       bondedto (attr store1 < 26.9028908686  and attr store1 > 26.1028908686 ))) 
6 0.1 0.1 peak 1817 volume 35.30449 ppm1 1.459 ppm2 1.833
 
! ############### c13noe.1818 folded +
assi (attr store1 < 4.737 and attr store1 > 4.637 )
     ((attr store1 < 1.449 and attr store1 > 1.389 ) and 
      (bondedto (attr store1 < 122.325109131  and attr store1 > 121.525109131 ) or 
       bondedto (attr store1 < 74.601  and attr store1 > 73.801 ) or 
       bondedto (attr store1 < 26.8768908686  and attr store1 > 26.0768908686 ))) 
6 0.1 0.1 peak 1818 volume 7.91009 ppm1 1.419 ppm2 4.687
 
! ############### c13noe.1819 folded +
assi (attr store1 < 2.708 and attr store1 > 2.608 )
     ((attr store1 < 1.448 and attr store1 > 1.388 ) and 
      (bondedto (attr store1 < 122.303109131  and attr store1 > 121.503109131 ) or 
       bondedto (attr store1 < 74.579  and attr store1 > 73.779 ) or 
       bondedto (attr store1 < 26.8548908686  and attr store1 > 26.0548908686 ))) 
6 0.1 0.1 peak 1819 volume 8.27951 ppm1 1.418 ppm2 2.658
 
! ############### c13noe.1820 folded +
assi (attr store1 < 1.175 and attr store1 > 1.075 )
     ((attr store1 < 1.443 and attr store1 > 1.383 ) and 
      (bondedto (attr store1 < 122.328109131  and attr store1 > 121.528109131 ) or 
       bondedto (attr store1 < 74.604  and attr store1 > 73.804 ) or 
       bondedto (attr store1 < 26.8798908686  and attr store1 > 26.0798908686 ))) 
6 0.1 0.1 peak 1820 volume 66.22960 ppm1 1.413 ppm2 1.125
 
! ############### c13noe.1821 folded +
assi (attr store1 < 4.384 and attr store1 > 4.284 )
     ((attr store1 < 1.44 and attr store1 > 1.38 ) and 
      (bondedto (attr store1 < 122.309109131  and attr store1 > 121.509109131 ) or 
       bondedto (attr store1 < 74.585  and attr store1 > 73.785 ) or 
       bondedto (attr store1 < 26.8608908686  and attr store1 > 26.0608908686 ))) 
6 0.1 0.1 peak 1821 volume 7.63141 ppm1 1.410 ppm2 4.334
 
! ############### c13noe.1822 folded +
assi (attr store1 < 0.926 and attr store1 > 0.826 )
     ((attr store1 < 1.225 and attr store1 > 1.165 ) and 
      (bondedto (attr store1 < 122.373109131  and attr store1 > 121.573109131 ) or 
       bondedto (attr store1 < 74.649  and attr store1 > 73.849 ) or 
       bondedto (attr store1 < 26.9248908686  and attr store1 > 26.1248908686 ))) 
6 0.1 0.1 peak 1822 volume 16.81547 ppm1 1.195 ppm2 0.876
 
! ############### c13noe.1823 folded +
assi (attr store1 < 4.385 and attr store1 > 4.285 )
     ((attr store1 < 1.151 and attr store1 > 1.091 ) and 
      (bondedto (attr store1 < 122.355109131  and attr store1 > 121.555109131 ) or 
       bondedto (attr store1 < 74.631  and attr store1 > 73.831 ) or 
       bondedto (attr store1 < 26.9068908686  and attr store1 > 26.1068908686 ))) 
6 0.1 0.1 peak 1823 volume 6.97212 ppm1 1.121 ppm2 4.335
 
! ############### c13noe.1824 folded +
assi (attr store1 < 2.971 and attr store1 > 2.871 )
     ((attr store1 < 1.15 and attr store1 > 1.09 ) and 
      (bondedto (attr store1 < 122.322109131  and attr store1 > 121.522109131 ) or 
       bondedto (attr store1 < 74.598  and attr store1 > 73.798 ) or 
       bondedto (attr store1 < 26.8738908686  and attr store1 > 26.0738908686 ))) 
6 0.1 0.1 peak 1824 volume 7.27055 ppm1 1.120 ppm2 2.921
 
! ############### c13noe.1825 folded +
assi (attr store1 < 2.706 and attr store1 > 2.606 )
     ((attr store1 < 1.151 and attr store1 > 1.091 ) and 
      (bondedto (attr store1 < 122.349109131  and attr store1 > 121.549109131 ) or 
       bondedto (attr store1 < 74.625  and attr store1 > 73.825 ) or 
       bondedto (attr store1 < 26.9008908686  and attr store1 > 26.1008908686 ))) 
6 0.1 0.1 peak 1825 volume 7.96328 ppm1 1.121 ppm2 2.656
 
! ############### c13noe.1826 folded +
assi (attr store1 < 1.71 and attr store1 > 1.61 )
     ((attr store1 < 1.152 and attr store1 > 1.092 ) and 
      (bondedto (attr store1 < 122.333109131  and attr store1 > 121.533109131 ) or 
       bondedto (attr store1 < 74.609  and attr store1 > 73.809 ) or 
       bondedto (attr store1 < 26.8848908686  and attr store1 > 26.0848908686 ))) 
6 0.1 0.1 peak 1826 volume 21.28828 ppm1 1.122 ppm2 1.660
 
! ############### c13noe.1827 folded +
assi (attr store1 < 1.624 and attr store1 > 1.524 )
     ((attr store1 < 1.152 and attr store1 > 1.092 ) and 
      (bondedto (attr store1 < 122.333109131  and attr store1 > 121.533109131 ) or 
       bondedto (attr store1 < 74.609  and attr store1 > 73.809 ) or 
       bondedto (attr store1 < 26.8848908686  and attr store1 > 26.0848908686 ))) 
6 0.1 0.1 peak 1827 volume 24.29895 ppm1 1.122 ppm2 1.574
 
! ############### c13noe.1828 folded +
assi (attr store1 < 1.465 and attr store1 > 1.365 )
     ((attr store1 < 1.153 and attr store1 > 1.093 ) and 
      (bondedto (attr store1 < 122.344109131  and attr store1 > 121.544109131 ) or 
       bondedto (attr store1 < 74.62  and attr store1 > 73.82 ) or 
       bondedto (attr store1 < 26.8958908686  and attr store1 > 26.0958908686 ))) 
6 0.1 0.1 peak 1828 volume 64.19301 ppm1 1.123 ppm2 1.415
 
! ############### c13noe.1829 folded +
assi (attr store1 < 4.739 and attr store1 > 4.639 )
     ((attr store1 < 1.148 and attr store1 > 1.088 ) and 
      (bondedto (attr store1 < 122.303109131  and attr store1 > 121.503109131 ) or 
       bondedto (attr store1 < 74.579  and attr store1 > 73.779 ) or 
       bondedto (attr store1 < 26.8548908686  and attr store1 > 26.0548908686 ))) 
6 0.1 0.1 peak 1829 volume 8.84417 ppm1 1.118 ppm2 4.689
 
! ############### c13noe.1830 folded +
assi (attr store1 < 6.175 and attr store1 > 6.075 )
     ((attr store1 < 0.923 and attr store1 > 0.863 ) and 
      (bondedto (attr store1 < 122.301109131  and attr store1 > 121.501109131 ) or 
       bondedto (attr store1 < 74.577  and attr store1 > 73.777 ) or 
       bondedto (attr store1 < 26.8528908686  and attr store1 > 26.0528908686 ))) 
6 0.1 0.1 peak 1830 volume 8.63381 ppm1 0.893 ppm2 6.125
 
! ############### c13noe.1831 folded +
assi (attr store1 < 7.87 and attr store1 > 7.77 )
     ((attr store1 < 0.868 and attr store1 > 0.808 ) and 
      (bondedto (attr store1 < 122.316109131  and attr store1 > 121.516109131 ) or 
       bondedto (attr store1 < 74.592  and attr store1 > 73.792 ) or 
       bondedto (attr store1 < 26.8678908686  and attr store1 > 26.0678908686 ))) 
6 0.1 0.1 peak 1831 volume 17.90832 ppm1 0.838 ppm2 7.820
 
! ############### c13noe.1832 folded +
assi (attr store1 < 3.821 and attr store1 > 3.721 )
     ((attr store1 < 0.867 and attr store1 > 0.807 ) and 
      (bondedto (attr store1 < 122.317109131  and attr store1 > 121.517109131 ) or 
       bondedto (attr store1 < 74.593  and attr store1 > 73.793 ) or 
       bondedto (attr store1 < 26.8688908686  and attr store1 > 26.0688908686 ))) 
6 0.1 0.1 peak 1832 volume 8.33702 ppm1 0.837 ppm2 3.771
 
! ############### c13noe.1833 folded -
assi (attr store1 < 2.361 and attr store1 > 2.261 )
     ((attr store1 < 3.892 and attr store1 > 3.832 ) and 
      (bondedto (attr store1 < 98.4630545657  and attr store1 > 97.6630545657 ) or 
       bondedto (attr store1 < 146.187163697  and attr store1 > 145.387163697) or 
       bondedto (attr store1 < 50.7389454343  and attr store1 > 49.9389454343 ))) 
6 0.1 0.1 peak 1833 volume 13.85662 ppm1 3.862 ppm2 2.311
 
! ############### c13noe.1834 folded -
assi (attr store1 < 2.258 and attr store1 > 2.158 )
     ((attr store1 < 3.827 and attr store1 > 3.767 ) and 
      (bondedto (attr store1 < 98.5110545657  and attr store1 > 97.7110545657 ) or 
       bondedto (attr store1 < 146.235163697  and attr store1 > 145.435163697) or 
       bondedto (attr store1 < 50.7869454343  and attr store1 > 49.9869454343 ))) 
6 0.1 0.1 peak 1834 volume 7.87008 ppm1 3.797 ppm2 2.208
 
! ############### c13noe.1835 folded -
assi (attr store1 < 3.691 and attr store1 > 3.591 )
     ((attr store1 < 3.581 and attr store1 > 3.521 ) and 
      (bondedto (attr store1 < 98.4340545657  and attr store1 > 97.6340545657 ) or 
       bondedto (attr store1 < 146.158163697  and attr store1 > 145.358163697) or 
       bondedto (attr store1 < 50.7099454343  and attr store1 > 49.9099454343 ))) 
6 0.1 0.1 peak 1835 volume 130.64331 ppm1 3.551 ppm2 3.641
 
! ############### c13noe.1836 folded -
assi (attr store1 < 3.072 and attr store1 > 2.972 )
     ((attr store1 < 3.048 and attr store1 > 2.988 ) and 
      (bondedto (attr store1 < 98.5060545657  and attr store1 > 97.7060545657 ) or 
       bondedto (attr store1 < 146.230163697  and attr store1 > 145.430163697) or 
       bondedto (attr store1 < 50.7819454343  and attr store1 > 49.9819454343 ))) 
6 0.1 0.1 peak 1836 volume 6.84548 ppm1 3.018 ppm2 3.022
 
! ############### c13noe.1837 folded -
assi (attr store1 < 2.101 and attr store1 > 2.001 )
     ((attr store1 < 2.342 and attr store1 > 2.282 ) and 
      (bondedto (attr store1 < 98.5090545657  and attr store1 > 97.7090545657 ) or 
       bondedto (attr store1 < 146.233163697  and attr store1 > 145.433163697) or 
       bondedto (attr store1 < 50.7849454343  and attr store1 > 49.9849454343 ))) 
6 0.1 0.1 peak 1837 volume 11.10252 ppm1 2.312 ppm2 2.051
 
! ############### c13noe.1838 folded -
assi (attr store1 < 3.606 and attr store1 > 3.506 )
     ((attr store1 < 1.92 and attr store1 > 1.86 ) and 
      (bondedto (attr store1 < 98.4490545657  and attr store1 > 97.6490545657 ) or 
       bondedto (attr store1 < 146.173163697  and attr store1 > 145.373163697) or 
       bondedto (attr store1 < 50.7249454343  and attr store1 > 49.9249454343 ))) 
6 0.1 0.1 peak 1838 volume 12.02159 ppm1 1.890 ppm2 3.556
 
! ############### c13noe.1839 folded -
assi (attr store1 < 3.69 and attr store1 > 3.59 )
     ((attr store1 < 1.917 and attr store1 > 1.857 ) and 
      (bondedto (attr store1 < 98.4630545657  and attr store1 > 97.6630545657 ) or 
       bondedto (attr store1 < 146.187163697  and attr store1 > 145.387163697) or 
       bondedto (attr store1 < 50.7389454343  and attr store1 > 49.9389454343 ))) 
6 0.1 0.1 peak 1839 volume 10.21537 ppm1 1.887 ppm2 3.640
 
! ############### c13noe.1840 folded +
assi (attr store1 < 4.734 and attr store1 > 4.634 )
     ((attr store1 < 1.433 and attr store1 > 1.373 ) and 
      (bondedto (attr store1 < 122.264109131  and attr store1 > 121.464109131 ) or 
       bondedto (attr store1 < 74.54  and attr store1 > 73.74 ) or 
       bondedto (attr store1 < 26.8158908686  and attr store1 > 26.0158908686 ))) 
6 0.1 0.1 peak 1840 volume 7.54770 ppm1 1.403 ppm2 4.684
 
! ############### c13noe.1841 folded +
assi (attr store1 < 8.982 and attr store1 > 8.882 )
     ((attr store1 < 0.925 and attr store1 > 0.865 ) and 
      (bondedto (attr store1 < 122.270109131  and attr store1 > 121.470109131 ) or 
       bondedto (attr store1 < 74.546  and attr store1 > 73.746 ) or 
       bondedto (attr store1 < 26.8218908686  and attr store1 > 26.0218908686 ))) 
6 0.1 0.1 peak 1841 volume 9.68528 ppm1 0.895 ppm2 8.932
 
! ############### c13noe.1842 folded +
assi (attr store1 < 8.506 and attr store1 > 8.406 )
     ((attr store1 < 0.925 and attr store1 > 0.865 ) and 
      (bondedto (attr store1 < 122.280109131  and attr store1 > 121.480109131 ) or 
       bondedto (attr store1 < 74.556  and attr store1 > 73.756 ) or 
       bondedto (attr store1 < 26.8318908686  and attr store1 > 26.0318908686 ))) 
6 0.1 0.1 peak 1842 volume 6.59165 ppm1 0.895 ppm2 8.456
 
! ############### c13noe.1843 folded +
assi (attr store1 < 4.189 and attr store1 > 4.089 )
     ((attr store1 < 0.925 and attr store1 > 0.865 ) and 
      (bondedto (attr store1 < 122.258109131  and attr store1 > 121.458109131 ) or 
       bondedto (attr store1 < 74.534  and attr store1 > 73.734 ) or 
       bondedto (attr store1 < 26.8098908686  and attr store1 > 26.0098908686 ))) 
6 0.1 0.1 peak 1843 volume 10.03130 ppm1 0.895 ppm2 4.139
 
! ############### c13noe.1844 folded +
assi (attr store1 < 4.483 and attr store1 > 4.383 )
     ((attr store1 < 0.921 and attr store1 > 0.861 ) and 
      (bondedto (attr store1 < 122.271109131  and attr store1 > 121.471109131 ) or 
       bondedto (attr store1 < 74.547  and attr store1 > 73.747 ) or 
       bondedto (attr store1 < 26.8228908686  and attr store1 > 26.0228908686 ))) 
6 0.1 0.1 peak 1844 volume 8.65681 ppm1 0.891 ppm2 4.433
 
! ############### c13noe.1845 folded +
assi (attr store1 < 3.861 and attr store1 > 3.761 )
     ((attr store1 < 0.922 and attr store1 > 0.862 ) and 
      (bondedto (attr store1 < 122.226109131  and attr store1 > 121.426109131 ) or 
       bondedto (attr store1 < 74.502  and attr store1 > 73.702 ) or 
       bondedto (attr store1 < 26.7778908686  and attr store1 > 25.9778908686 ))) 
6 0.1 0.1 peak 1845 volume 12.70060 ppm1 0.892 ppm2 3.811
 
! ############### c13noe.1846 folded +
assi (attr store1 < 3.768 and attr store1 > 3.668 )
     ((attr store1 < 0.921 and attr store1 > 0.861 ) and 
      (bondedto (attr store1 < 122.235109131  and attr store1 > 121.435109131 ) or 
       bondedto (attr store1 < 74.511  and attr store1 > 73.711 ) or 
       bondedto (attr store1 < 26.7868908686  and attr store1 > 25.9868908686 ))) 
6 0.1 0.1 peak 1846 volume 9.58222 ppm1 0.891 ppm2 3.718
 
! ############### c13noe.1847 folded +
assi (attr store1 < 4.897 and attr store1 > 4.797 )
     ((attr store1 < 0.869 and attr store1 > 0.809 ) and 
      (bondedto (attr store1 < 122.286109131  and attr store1 > 121.486109131 ) or 
       bondedto (attr store1 < 74.562  and attr store1 > 73.762 ) or 
       bondedto (attr store1 < 26.8378908686  and attr store1 > 26.0378908686 ))) 
6 0.1 0.1 peak 1847 volume 9.69619 ppm1 0.839 ppm2 4.847
 
! ############### c13noe.1848 folded +
assi (attr store1 < 4.735 and attr store1 > 4.635 )
     ((attr store1 < 0.868 and attr store1 > 0.808 ) and 
      (bondedto (attr store1 < 122.258109131  and attr store1 > 121.458109131 ) or 
       bondedto (attr store1 < 74.534  and attr store1 > 73.734 ) or 
       bondedto (attr store1 < 26.8098908686  and attr store1 > 26.0098908686 ))) 
6 0.1 0.1 peak 1848 volume 8.82502 ppm1 0.838 ppm2 4.685
 
! ############### c13noe.1849 folded +
assi (attr store1 < 4.055 and attr store1 > 3.955 )
     ((attr store1 < 0.868 and attr store1 > 0.808 ) and 
      (bondedto (attr store1 < 122.276109131  and attr store1 > 121.476109131 ) or 
       bondedto (attr store1 < 74.552  and attr store1 > 73.752 ) or 
       bondedto (attr store1 < 26.8278908686  and attr store1 > 26.0278908686 ))) 
6 0.1 0.1 peak 1849 volume 13.41797 ppm1 0.838 ppm2 4.005
 
! ############### c13noe.1850 folded +
assi (attr store1 < 3.96 and attr store1 > 3.86 )
     ((attr store1 < 0.868 and attr store1 > 0.808 ) and 
      (bondedto (attr store1 < 122.269109131  and attr store1 > 121.469109131 ) or 
       bondedto (attr store1 < 74.545  and attr store1 > 73.745 ) or 
       bondedto (attr store1 < 26.8208908686  and attr store1 > 26.0208908686 ))) 
6 0.1 0.1 peak 1850 volume 27.42792 ppm1 0.838 ppm2 3.910
 
! ############### c13noe.1851 folded -
assi (attr store1 < 2.023 and attr store1 > 1.923 )
     ((attr store1 < 3.886 and attr store1 > 3.826 ) and 
      (bondedto (attr store1 < 98.4210545657  and attr store1 > 97.6210545657 ) or 
       bondedto (attr store1 < 146.145163697  and attr store1 > 145.345163697) or 
       bondedto (attr store1 < 50.6969454343  and attr store1 > 49.8969454343 ))) 
6 0.1 0.1 peak 1851 volume 12.44456 ppm1 3.856 ppm2 1.973
 
! ############### c13noe.1852 folded -
assi (attr store1 < 5.048 and attr store1 > 4.948 )
     ((attr store1 < 3.879 and attr store1 > 3.819 ) and 
      (bondedto (attr store1 < 98.3730545657  and attr store1 > 97.5730545657 ) or 
       bondedto (attr store1 < 146.097163697  and attr store1 > 145.297163697) or 
       bondedto (attr store1 < 50.6489454343  and attr store1 > 49.8489454343 ))) 
6 0.1 0.1 peak 1852 volume 18.85025 ppm1 3.849 ppm2 4.998
 
! ############### c13noe.1853 folded -
assi (attr store1 < 2.178 and attr store1 > 2.078 )
     ((attr store1 < 3.876 and attr store1 > 3.816 ) and 
      (bondedto (attr store1 < 98.3680545657  and attr store1 > 97.5680545657 ) or 
       bondedto (attr store1 < 146.092163697  and attr store1 > 145.292163697) or 
       bondedto (attr store1 < 50.6439454343  and attr store1 > 49.8439454343 ))) 
6 0.1 0.1 peak 1853 volume 14.32328 ppm1 3.846 ppm2 2.128
 
! ############### c13noe.1854 folded -
assi (attr store1 < 1.202 and attr store1 > 1.102 )
     ((attr store1 < 3.878 and attr store1 > 3.818 ) and 
      (bondedto (attr store1 < 98.3940545657  and attr store1 > 97.5940545657 ) or 
       bondedto (attr store1 < 146.118163697  and attr store1 > 145.318163697) or 
       bondedto (attr store1 < 50.6699454343  and attr store1 > 49.8699454343 ))) 
6 0.1 0.1 peak 1854 volume 6.72699 ppm1 3.848 ppm2 1.152
 
! ############### c13noe.1855 folded -
assi (attr store1 < 5.045 and attr store1 > 4.945 )
     ((attr store1 < 3.83 and attr store1 > 3.77 ) and 
      (bondedto (attr store1 < 98.3610545657  and attr store1 > 97.5610545657 ) or 
       bondedto (attr store1 < 146.085163697  and attr store1 > 145.285163697) or 
       bondedto (attr store1 < 50.6369454343  and attr store1 > 49.8369454343 ))) 
6 0.1 0.1 peak 1855 volume 19.2748 ppm1 3.800 ppm2 4.995
 
! ############### c13noe.1856 folded -
assi (attr store1 < 2.174 and attr store1 > 2.074 )
     ((attr store1 < 3.829 and attr store1 > 3.769 ) and 
      (bondedto (attr store1 < 98.3770545657  and attr store1 > 97.5770545657 ) or 
       bondedto (attr store1 < 146.101163697  and attr store1 > 145.301163697) or 
       bondedto (attr store1 < 50.6529454343  and attr store1 > 49.8529454343 ))) 
6 0.1 0.1 peak 1856 volume 15.46597 ppm1 3.799 ppm2 2.124
 
! ############### c13noe.1857 folded -
assi (attr store1 < 1.204 and attr store1 > 1.104 )
     ((attr store1 < 3.827 and attr store1 > 3.767 ) and 
      (bondedto (attr store1 < 98.3670545657  and attr store1 > 97.5670545657 ) or 
       bondedto (attr store1 < 146.091163697  and attr store1 > 145.291163697) or 
       bondedto (attr store1 < 50.6429454343  and attr store1 > 49.8429454343 ))) 
6 0.1 0.1 peak 1857 volume 9.96786 ppm1 3.797 ppm2 1.154
 
! ############### c13noe.1858 folded -
assi (attr store1 < 2.378 and attr store1 > 2.278 )
     ((attr store1 < 3.822 and attr store1 > 3.762 ) and 
      (bondedto (attr store1 < 98.3840545657  and attr store1 > 97.5840545657 ) or 
       bondedto (attr store1 < 146.108163697  and attr store1 > 145.308163697) or 
       bondedto (attr store1 < 50.6599454343  and attr store1 > 49.8599454343 ))) 
6 0.1 0.1 peak 1858 volume 15.52318 ppm1 3.792 ppm2 2.328
 
! ############### c13noe.1859 folded -
assi (attr store1 < 2.017 and attr store1 > 1.917 )
     ((attr store1 < 3.817 and attr store1 > 3.757 ) and 
      (bondedto (attr store1 < 98.3530545657  and attr store1 > 97.5530545657 ) or 
       bondedto (attr store1 < 146.077163697  and attr store1 > 145.277163697) or 
       bondedto (attr store1 < 50.6289454343  and attr store1 > 49.8289454343 ))) 
6 0.1 0.1 peak 1859 volume 11.53135 ppm1 3.787 ppm2 1.967
 
! ############### c13noe.1860 folded -
assi (attr store1 < 3.563 and attr store1 > 3.463 )
     ((attr store1 < 3.632 and attr store1 > 3.572 ) and 
      (bondedto (attr store1 < 98.4030545657  and attr store1 > 97.6030545657 ) or 
       bondedto (attr store1 < 146.127163697  and attr store1 > 145.327163697) or 
       bondedto (attr store1 < 50.6789454343  and attr store1 > 49.8789454343 ))) 
6 0.1 0.1 peak 1860 volume 65.51582 ppm1 3.602 ppm2 3.513
 
! ############### c13noe.1861 folded -
assi (attr store1 < 3.65 and attr store1 > 3.55 )
     ((attr store1 < 3.544 and attr store1 > 3.484 ) and 
      (bondedto (attr store1 < 98.4150545657  and attr store1 > 97.6150545657 ) or 
       bondedto (attr store1 < 146.139163697  and attr store1 > 145.339163697) or 
       bondedto (attr store1 < 50.6909454343  and attr store1 > 49.8909454343 ))) 
6 0.1 0.1 peak 1861 volume 62.55476 ppm1 3.514 ppm2 3.600
 
! ############### c13noe.1862 folded +
assi (attr store1 < 1.851 and attr store1 > 1.751 )
     ((attr store1 < 1.278 and attr store1 > 1.218 ) and 
      (bondedto (attr store1 < 122.029109131  and attr store1 > 121.229109131 ) or 
       bondedto (attr store1 < 74.305  and attr store1 > 73.505 ) or 
       bondedto (attr store1 < 26.5808908686  and attr store1 > 25.7808908686 ))) 
6 0.1 0.1 peak 1862 volume 13.42263 ppm1 1.248 ppm2 1.801
 
! ############### c13noe.1863 folded +
assi (attr store1 < 1.739 and attr store1 > 1.639 )
     ((attr store1 < 1.275 and attr store1 > 1.215 ) and 
      (bondedto (attr store1 < 122.013109131  and attr store1 > 121.213109131 ) or 
       bondedto (attr store1 < 74.289  and attr store1 > 73.489 ) or 
       bondedto (attr store1 < 26.5648908686  and attr store1 > 25.7648908686 ))) 
6 0.1 0.1 peak 1863 volume 27.82493 ppm1 1.245 ppm2 1.689
 
! ############### c13noe.1864 folded +
assi (attr store1 < 4.081 and attr store1 > 3.981 )
     ((attr store1 < 1.728 and attr store1 > 1.668 ) and 
      (bondedto (attr store1 < 121.930109131  and attr store1 > 121.130109131 ) or 
       bondedto (attr store1 < 74.206  and attr store1 > 73.406 ) or 
       bondedto (attr store1 < 26.4818908686  and attr store1 > 25.6818908686 ))) 
6 0.1 0.1 peak 1864 volume 10.74691 ppm1 1.698 ppm2 4.031
 
! ############### c13noe.1865 folded +
assi (attr store1 < 1.305 and attr store1 > 1.205 )
     ((attr store1 < 1.728 and attr store1 > 1.668 ) and 
      (bondedto (attr store1 < 121.991109131  and attr store1 > 121.191109131 ) or 
       bondedto (attr store1 < 74.267  and attr store1 > 73.467 ) or 
       bondedto (attr store1 < 26.5428908686  and attr store1 > 25.7428908686 ))) 
6 0.1 0.1 peak 1865 volume 19.18248 ppm1 1.698 ppm2 1.255
 
! ############### c13noe.1866 folded +
assi (attr store1 < 8.485 and attr store1 > 8.385 )
     ((attr store1 < 0.784 and attr store1 > 0.724 ) and 
      (bondedto (attr store1 < 121.943109131  and attr store1 > 121.143109131 ) or 
       bondedto (attr store1 < 74.219  and attr store1 > 73.419 ) or 
       bondedto (attr store1 < 26.4948908686  and attr store1 > 25.6948908686 ))) 
6 0.1 0.1 peak 1866 volume 6.98182 ppm1 0.754 ppm2 8.435
 
! ############### c13noe.1867 folded +
assi (attr store1 < 7.621 and attr store1 > 7.521 )
     ((attr store1 < 0.785 and attr store1 > 0.725 ) and 
      (bondedto (attr store1 < 121.934109131  and attr store1 > 121.134109131 ) or 
       bondedto (attr store1 < 74.21  and attr store1 > 73.41 ) or 
       bondedto (attr store1 < 26.4858908686  and attr store1 > 25.6858908686 ))) 
6 0.1 0.1 peak 1867 volume 14.37536 ppm1 0.755 ppm2 7.571
 
! ############### c13noe.1868 folded +
assi (attr store1 < 6.979 and attr store1 > 6.879 )
     ((attr store1 < 0.783 and attr store1 > 0.723 ) and 
      (bondedto (attr store1 < 121.919109131  and attr store1 > 121.119109131 ) or 
       bondedto (attr store1 < 74.195  and attr store1 > 73.395 ) or 
       bondedto (attr store1 < 26.4708908686  and attr store1 > 25.6708908686 ))) 
6 0.1 0.1 peak 1868 volume 10.12827 ppm1 0.753 ppm2 6.929
 
! ############### c13noe.1869 folded +
assi (attr store1 < 6.582 and attr store1 > 6.482 )
     ((attr store1 < 0.784 and attr store1 > 0.724 ) and 
      (bondedto (attr store1 < 121.932109131  and attr store1 > 121.132109131 ) or 
       bondedto (attr store1 < 74.208  and attr store1 > 73.408 ) or 
       bondedto (attr store1 < 26.4838908686  and attr store1 > 25.6838908686 ))) 
6 0.1 0.1 peak 1869 volume 19.27662 ppm1 0.754 ppm2 6.532
 
! ############### c13noe.1870 folded +
assi (attr store1 < 4.191 and attr store1 > 4.091 )
     ((attr store1 < 0.784 and attr store1 > 0.724 ) and 
      (bondedto (attr store1 < 121.920109131  and attr store1 > 121.120109131 ) or 
       bondedto (attr store1 < 74.196  and attr store1 > 73.396 ) or 
       bondedto (attr store1 < 26.4718908686  and attr store1 > 25.6718908686 ))) 
6 0.1 0.1 peak 1870 volume 21.94946 ppm1 0.754 ppm2 4.141
 
! ############### c13noe.1871 folded +
assi (attr store1 < 4.041 and attr store1 > 3.941 )
     ((attr store1 < 0.783 and attr store1 > 0.723 ) and 
      (bondedto (attr store1 < 121.946109131  and attr store1 > 121.146109131 ) or 
       bondedto (attr store1 < 74.222  and attr store1 > 73.422 ) or 
       bondedto (attr store1 < 26.4978908686  and attr store1 > 25.6978908686 ))) 
6 0.1 0.1 peak 1871 volume 12.45474 ppm1 0.753 ppm2 3.991
 
! ############### c13noe.1872 folded +
assi (attr store1 < 0.433 and attr store1 > 0.333 )
     ((attr store1 < 0.784 and attr store1 > 0.724 ) and 
      (bondedto (attr store1 < 121.927109131  and attr store1 > 121.127109131 ) or 
       bondedto (attr store1 < 74.203  and attr store1 > 73.403 ) or 
       bondedto (attr store1 < 26.4788908686  and attr store1 > 25.6788908686 ))) 
6 0.1 0.1 peak 1872 volume 20.83790 ppm1 0.754 ppm2 0.383
 
! ############### c13noe.1873 folded -
assi (attr store1 < 1.506 and attr store1 > 1.406 )
     ((attr store1 < 1.223 and attr store1 > 1.163 ) and 
      (bondedto (attr store1 < 98.1310545657  and attr store1 > 97.3310545657 ) or 
       bondedto (attr store1 < 145.855163697  and attr store1 > 145.055163697) or 
       bondedto (attr store1 < 50.4069454343  and attr store1 > 49.6069454343 ))) 
6 0.1 0.1 peak 1873 volume 85.58349 ppm1 1.193 ppm2 1.456
 
! ############### c13noe.1874 folded +
assi (attr store1 < 3.3 and attr store1 > 3.2 )
     ((attr store1 < 3.345 and attr store1 > 3.285 ) and 
      (bondedto (attr store1 < 121.901109131  and attr store1 > 121.101109131 ) or 
       bondedto (attr store1 < 74.177  and attr store1 > 73.377 ) or 
       bondedto (attr store1 < 26.4528908686  and attr store1 > 25.6528908686 ))) 
6 0.1 0.1 peak 1874 volume 11.10431 ppm1 3.315 ppm2 3.250
 
! ############### c13noe.1875 folded +
assi (attr store1 < 1.946 and attr store1 > 1.846 )
     ((attr store1 < 2.026 and attr store1 > 1.966 ) and 
      (bondedto (attr store1 < 121.834109131  and attr store1 > 121.034109131 ) or 
       bondedto (attr store1 < 74.11  and attr store1 > 73.31 ) or 
       bondedto (attr store1 < 26.3858908686  and attr store1 > 25.5858908686 ))) 
6 0.1 0.1 peak 1875 volume 12.40990 ppm1 1.996 ppm2 1.896
 
! ############### c13noe.1876 folded +
assi (attr store1 < 2.081 and attr store1 > 1.981 )
     ((attr store1 < 1.97 and attr store1 > 1.91 ) and 
      (bondedto (attr store1 < 121.844109131  and attr store1 > 121.044109131 ) or 
       bondedto (attr store1 < 74.12  and attr store1 > 73.32 ) or 
       bondedto (attr store1 < 26.3958908686  and attr store1 > 25.5958908686 ))) 
6 0.1 0.1 peak 1876 volume 10.42313 ppm1 1.940 ppm2 2.031
 
! ############### c13noe.1877 folded +
assi (attr store1 < 7.853 and attr store1 > 7.753 )
     ((attr store1 < 1.736 and attr store1 > 1.676 ) and 
      (bondedto (attr store1 < 121.831109131  and attr store1 > 121.031109131 ) or 
       bondedto (attr store1 < 74.107  and attr store1 > 73.307 ) or 
       bondedto (attr store1 < 26.3828908686  and attr store1 > 25.5828908686 ))) 
6 0.1 0.1 peak 1877 volume 9.30081 ppm1 1.706 ppm2 7.803
 
! ############### c13noe.1878 folded +
assi (attr store1 < 4.19 and attr store1 > 4.09 )
     ((attr store1 < 0.827 and attr store1 > 0.767 ) and 
      (bondedto (attr store1 < 121.833109131  and attr store1 > 121.033109131 ) or 
       bondedto (attr store1 < 74.109  and attr store1 > 73.309 ) or 
       bondedto (attr store1 < 26.3848908686  and attr store1 > 25.5848908686 ))) 
6 0.1 0.1 peak 1878 volume 10.74838 ppm1 0.797 ppm2 4.140
 
! ############### c13noe.1879 folded +
assi (attr store1 < 3.288 and attr store1 > 3.188 )
     ((attr store1 < 0.827 and attr store1 > 0.767 ) and 
      (bondedto (attr store1 < 121.853109131  and attr store1 > 121.053109131 ) or 
       bondedto (attr store1 < 74.129  and attr store1 > 73.329 ) or 
       bondedto (attr store1 < 26.4048908686  and attr store1 > 25.6048908686 ))) 
6 0.1 0.1 peak 1879 volume 6.77037 ppm1 0.797 ppm2 3.238
 
! ############### c13noe.1880 folded +
assi (attr store1 < 6.814 and attr store1 > 6.714 )
     ((attr store1 < 0.783 and attr store1 > 0.723 ) and 
      (bondedto (attr store1 < 121.905109131  and attr store1 > 121.105109131 ) or 
       bondedto (attr store1 < 74.181  and attr store1 > 73.381 ) or 
       bondedto (attr store1 < 26.4568908686  and attr store1 > 25.6568908686 ))) 
6 0.1 0.1 peak 1880 volume 7.73866 ppm1 0.753 ppm2 6.764
 
! ############### c13noe.1881 folded +
assi (attr store1 < 4.737 and attr store1 > 4.637 )
     ((attr store1 < 0.784 and attr store1 > 0.724 ) and 
      (bondedto (attr store1 < 121.912109131  and attr store1 > 121.112109131 ) or 
       bondedto (attr store1 < 74.188  and attr store1 > 73.388 ) or 
       bondedto (attr store1 < 26.4638908686  and attr store1 > 25.6638908686 ))) 
6 0.1 0.1 peak 1881 volume 10.32270 ppm1 0.754 ppm2 4.687
 
! ############### c13noe.1882 folded +
assi (attr store1 < 3.179 and attr store1 > 3.079 )
     ((attr store1 < 0.784 and attr store1 > 0.724 ) and 
      (bondedto (attr store1 < 121.900109131  and attr store1 > 121.100109131 ) or 
       bondedto (attr store1 < 74.176  and attr store1 > 73.376 ) or 
       bondedto (attr store1 < 26.4518908686  and attr store1 > 25.6518908686 ))) 
6 0.1 0.1 peak 1882 volume 11.24989 ppm1 0.754 ppm2 3.129
 
! ############### c13noe.1883 folded -
assi (attr store1 < 3.694 and attr store1 > 3.594 )
     ((attr store1 < 3.581 and attr store1 > 3.521 ) and 
      (bondedto (attr store1 < 97.9980545657  and attr store1 > 97.1980545657 ) or 
       bondedto (attr store1 < 145.722163697  and attr store1 > 144.922163697) or 
       bondedto (attr store1 < 50.2739454343  and attr store1 > 49.4739454343 ))) 
6 0.1 0.1 peak 1883 volume 28.56184 ppm1 3.551 ppm2 3.644
 
! ############### c13noe.1884 folded +
assi (attr store1 < 4.4 and attr store1 > 4.3 )
     ((attr store1 < 1.739 and attr store1 > 1.679 ) and 
      (bondedto (attr store1 < 121.814109131  and attr store1 > 121.014109131 ) or 
       bondedto (attr store1 < 74.09  and attr store1 > 73.29 ) or 
       bondedto (attr store1 < 26.3658908686  and attr store1 > 25.5658908686 ))) 
6 0.1 0.1 peak 1884 volume 11.78514 ppm1 1.709 ppm2 4.350
 
! ############### c13noe.1885 folded +
assi (attr store1 < 3.033 and attr store1 > 2.933 )
     ((attr store1 < 1.735 and attr store1 > 1.675 ) and 
      (bondedto (attr store1 < 121.816109131  and attr store1 > 121.016109131 ) or 
       bondedto (attr store1 < 74.092  and attr store1 > 73.292 ) or 
       bondedto (attr store1 < 26.3678908686  and attr store1 > 25.5678908686 ))) 
6 0.1 0.1 peak 1885 volume 14.09882 ppm1 1.705 ppm2 2.983
 
! ############### c13noe.1886 folded +
assi (attr store1 < 1.554 and attr store1 > 1.454 )
     ((attr store1 < 1.734 and attr store1 > 1.674 ) and 
      (bondedto (attr store1 < 121.795109131  and attr store1 > 120.995109131 ) or 
       bondedto (attr store1 < 74.071  and attr store1 > 73.271 ) or 
       bondedto (attr store1 < 26.3468908686  and attr store1 > 25.5468908686 ))) 
6 0.1 0.1 peak 1886 volume 66.10632 ppm1 1.704 ppm2 1.504
 
! ############### c13noe.1887 folded +
assi (attr store1 < 4.401 and attr store1 > 4.301 )
     ((attr store1 < 1.527 and attr store1 > 1.467 ) and 
      (bondedto (attr store1 < 121.798109131  and attr store1 > 120.998109131 ) or 
       bondedto (attr store1 < 74.074  and attr store1 > 73.274 ) or 
       bondedto (attr store1 < 26.3498908686  and attr store1 > 25.5498908686 ))) 
6 0.1 0.1 peak 1887 volume 15.07425 ppm1 1.497 ppm2 4.351
 
! ############### c13noe.1888 folded +
assi (attr store1 < 1.751 and attr store1 > 1.651 )
     ((attr store1 < 1.527 and attr store1 > 1.467 ) and 
      (bondedto (attr store1 < 121.749109131  and attr store1 > 120.949109131 ) or 
       bondedto (attr store1 < 74.025  and attr store1 > 73.225 ) or 
       bondedto (attr store1 < 26.3008908686  and attr store1 > 25.5008908686 ))) 
6 0.1 0.1 peak 1888 volume 129.20633 ppm1 1.497 ppm2 1.701
 
! ############### c13noe.1889 folded +
assi (attr store1 < 8.495 and attr store1 > 8.395 )
     ((attr store1 < 0.825 and attr store1 > 0.765 ) and 
      (bondedto (attr store1 < 121.798109131  and attr store1 > 120.998109131 ) or 
       bondedto (attr store1 < 74.074  and attr store1 > 73.274 ) or 
       bondedto (attr store1 < 26.3498908686  and attr store1 > 25.5498908686 ))) 
6 0.1 0.1 peak 1889 volume 8.06361 ppm1 0.795 ppm2 8.445
 
! ############### c13noe.1890 folded +
assi (attr store1 < 7.845 and attr store1 > 7.745 )
     ((attr store1 < 0.826 and attr store1 > 0.766 ) and 
      (bondedto (attr store1 < 121.815109131  and attr store1 > 121.015109131 ) or 
       bondedto (attr store1 < 74.091  and attr store1 > 73.291 ) or 
       bondedto (attr store1 < 26.3668908686  and attr store1 > 25.5668908686 ))) 
6 0.1 0.1 peak 1890 volume 10.88380 ppm1 0.796 ppm2 7.795
 
! ############### c13noe.1891 folded +
assi (attr store1 < 6.808 and attr store1 > 6.708 )
     ((attr store1 < 0.827 and attr store1 > 0.767 ) and 
      (bondedto (attr store1 < 121.788109131  and attr store1 > 120.988109131 ) or 
       bondedto (attr store1 < 74.064  and attr store1 > 73.264 ) or 
       bondedto (attr store1 < 26.3398908686  and attr store1 > 25.5398908686 ))) 
6 0.1 0.1 peak 1891 volume 8.42815 ppm1 0.797 ppm2 6.758
 
! ############### c13noe.1892 folded +
assi (attr store1 < 4.481 and attr store1 > 4.381 )
     ((attr store1 < 0.827 and attr store1 > 0.767 ) and 
      (bondedto (attr store1 < 121.808109131  and attr store1 > 121.008109131 ) or 
       bondedto (attr store1 < 74.084  and attr store1 > 73.284 ) or 
       bondedto (attr store1 < 26.3598908686  and attr store1 > 25.5598908686 ))) 
6 0.1 0.1 peak 1892 volume 40.43472 ppm1 0.797 ppm2 4.431
 
! ############### c13noe.1893 folded +
assi (attr store1 < 3.965 and attr store1 > 3.865 )
     ((attr store1 < 0.827 and attr store1 > 0.767 ) and 
      (bondedto (attr store1 < 121.804109131  and attr store1 > 121.004109131 ) or 
       bondedto (attr store1 < 74.08  and attr store1 > 73.28 ) or 
       bondedto (attr store1 < 26.3558908686  and attr store1 > 25.5558908686 ))) 
6 0.1 0.1 peak 1893 volume 21.42090 ppm1 0.797 ppm2 3.915
 
! ############### c13noe.1894 folded +
assi (attr store1 < 4.735 and attr store1 > 4.635 )
     ((attr store1 < 0.825 and attr store1 > 0.765 ) and 
      (bondedto (attr store1 < 121.799109131  and attr store1 > 120.999109131 ) or 
       bondedto (attr store1 < 74.075  and attr store1 > 73.275 ) or 
       bondedto (attr store1 < 26.3508908686  and attr store1 > 25.5508908686 ))) 
6 0.1 0.1 peak 1894 volume 10.74302 ppm1 0.795 ppm2 4.685
 
! ############### c13noe.1895 folded +
assi (attr store1 < 3.836 and attr store1 > 3.736 )
     ((attr store1 < 0.825 and attr store1 > 0.765 ) and 
      (bondedto (attr store1 < 121.799109131  and attr store1 > 120.999109131 ) or 
       bondedto (attr store1 < 74.075  and attr store1 > 73.275 ) or 
       bondedto (attr store1 < 26.3508908686  and attr store1 > 25.5508908686 ))) 
6 0.1 0.1 peak 1895 volume 10.42593 ppm1 0.795 ppm2 3.786
 
! ############### c13noe.1896 folded +
assi (attr store1 < 8.236 and attr store1 > 8.136 )
     ((attr store1 < 2.283 and attr store1 > 2.223 ) and 
      (bondedto (attr store1 < 121.717109131  and attr store1 > 120.917109131 ) or 
       bondedto (attr store1 < 73.993  and attr store1 > 73.193 ) or 
       bondedto (attr store1 < 26.2688908686  and attr store1 > 25.4688908686 ))) 
6 0.1 0.1 peak 1896 volume 12.83325 ppm1 2.253 ppm2 8.186
 
! ############### c13noe.1897 folded +
assi (attr store1 < 4.212 and attr store1 > 4.112 )
     ((attr store1 < 2.284 and attr store1 > 2.224 ) and 
      (bondedto (attr store1 < 121.680109131  and attr store1 > 120.880109131 ) or 
       bondedto (attr store1 < 73.956  and attr store1 > 73.156 ) or 
       bondedto (attr store1 < 26.2318908686  and attr store1 > 25.4318908686 ))) 
6 0.1 0.1 peak 1897 volume 21.72295 ppm1 2.254 ppm2 4.162
 
! ############### c13noe.1898 folded +
assi (attr store1 < 3.846 and attr store1 > 3.746 )
     ((attr store1 < 2.285 and attr store1 > 2.225 ) and 
      (bondedto (attr store1 < 121.676109131  and attr store1 > 120.876109131 ) or 
       bondedto (attr store1 < 73.952  and attr store1 > 73.152 ) or 
       bondedto (attr store1 < 26.2278908686  and attr store1 > 25.4278908686 ))) 
6 0.1 0.1 peak 1898 volume 14.35736 ppm1 2.255 ppm2 3.796
 
! ############### c13noe.1899 folded +
assi (attr store1 < 3.659 and attr store1 > 3.559 )
     ((attr store1 < 2.284 and attr store1 > 2.224 ) and 
      (bondedto (attr store1 < 121.670109131  and attr store1 > 120.870109131 ) or 
       bondedto (attr store1 < 73.946  and attr store1 > 73.146 ) or 
       bondedto (attr store1 < 26.2218908686  and attr store1 > 25.4218908686 ))) 
6 0.1 0.1 peak 1899 volume 21.31779 ppm1 2.254 ppm2 3.609
 
! ############### c13noe.1900 folded +
assi (attr store1 < 2.456 and attr store1 > 2.356 )
     ((attr store1 < 2.286 and attr store1 > 2.226 ) and 
      (bondedto (attr store1 < 121.684109131  and attr store1 > 120.884109131 ) or 
       bondedto (attr store1 < 73.96  and attr store1 > 73.16 ) or 
       bondedto (attr store1 < 26.2358908686  and attr store1 > 25.4358908686 ))) 
6 0.1 0.1 peak 1900 volume 41.16443 ppm1 2.256 ppm2 2.406
 
! ############### c13noe.1901 folded +
assi (attr store1 < 2.673 and attr store1 > 2.573 )
     ((attr store1 < 2.281 and attr store1 > 2.221 ) and 
      (bondedto (attr store1 < 121.687109131  and attr store1 > 120.887109131 ) or 
       bondedto (attr store1 < 73.963  and attr store1 > 73.163 ) or 
       bondedto (attr store1 < 26.2388908686  and attr store1 > 25.4388908686 ))) 
6 0.1 0.1 peak 1901 volume 22.18804 ppm1 2.251 ppm2 2.623
 
! ############### c13noe.1902 folded +
assi (attr store1 < 1.857 and attr store1 > 1.757 )
     ((attr store1 < 1.934 and attr store1 > 1.874 ) and 
      (bondedto (attr store1 < 121.724109131  and attr store1 > 120.924109131 ) or 
       bondedto (attr store1 < 74.0  and attr store1 > 73.2 ) or 
       bondedto (attr store1 < 26.2758908686  and attr store1 > 25.4758908686 ))) 
6 0.1 0.1 peak 1902 volume 18.55597 ppm1 1.904 ppm2 1.807
 
! ############### c13noe.1903 folded +
assi (attr store1 < 1.949 and attr store1 > 1.849 )
     ((attr store1 < 1.833 and attr store1 > 1.773 ) and 
      (bondedto (attr store1 < 121.705109131  and attr store1 > 120.905109131 ) or 
       bondedto (attr store1 < 73.981  and attr store1 > 73.181 ) or 
       bondedto (attr store1 < 26.2568908686  and attr store1 > 25.4568908686 ))) 
6 0.1 0.1 peak 1903 volume 19.55967 ppm1 1.803 ppm2 1.899
 
! ############### c13noe.1904 folded +
assi (attr store1 < 8.225 and attr store1 > 8.125 )
     ((attr store1 < 0.991 and attr store1 > 0.931 ) and 
      (bondedto (attr store1 < 121.687109131  and attr store1 > 120.887109131 ) or 
       bondedto (attr store1 < 73.963  and attr store1 > 73.163 ) or 
       bondedto (attr store1 < 26.2388908686  and attr store1 > 25.4388908686 ))) 
6 0.1 0.1 peak 1904 volume 6.80363 ppm1 0.961 ppm2 8.175
 
! ############### c13noe.1905 folded +
assi (attr store1 < 8.01 and attr store1 > 7.91 )
     ((attr store1 < 0.991 and attr store1 > 0.931 ) and 
      (bondedto (attr store1 < 121.668109131  and attr store1 > 120.868109131 ) or 
       bondedto (attr store1 < 73.944  and attr store1 > 73.144 ) or 
       bondedto (attr store1 < 26.2198908686  and attr store1 > 25.4198908686 ))) 
6 0.1 0.1 peak 1905 volume 20.80439 ppm1 0.961 ppm2 7.960
 
! ############### c13noe.1906 folded +
assi (attr store1 < 7.494 and attr store1 > 7.394 )
     ((attr store1 < 0.99 and attr store1 > 0.93 ) and 
      (bondedto (attr store1 < 121.701109131  and attr store1 > 120.901109131 ) or 
       bondedto (attr store1 < 73.977  and attr store1 > 73.177 ) or 
       bondedto (attr store1 < 26.2528908686  and attr store1 > 25.4528908686 ))) 
6 0.1 0.1 peak 1906 volume 10.41094 ppm1 0.960 ppm2 7.444
 
! ############### c13noe.1907 folded +
assi (attr store1 < 6.915 and attr store1 > 6.815 )
     ((attr store1 < 0.992 and attr store1 > 0.932 ) and 
      (bondedto (attr store1 < 121.643109131  and attr store1 > 120.843109131 ) or 
       bondedto (attr store1 < 73.919  and attr store1 > 73.119 ) or 
       bondedto (attr store1 < 26.1948908686  and attr store1 > 25.3948908686 ))) 
6 0.1 0.1 peak 1907 volume 9.28160 ppm1 0.962 ppm2 6.865
 
! ############### c13noe.1908 folded +
assi (attr store1 < 4.056 and attr store1 > 3.956 )
     ((attr store1 < 0.99 and attr store1 > 0.93 ) and 
      (bondedto (attr store1 < 121.638109131  and attr store1 > 120.838109131 ) or 
       bondedto (attr store1 < 73.914  and attr store1 > 73.114 ) or 
       bondedto (attr store1 < 26.1898908686  and attr store1 > 25.3898908686 ))) 
6 0.1 0.1 peak 1908 volume 53.31378 ppm1 0.960 ppm2 4.006
 
! ############### c13noe.1909 folded -
assi (attr store1 < 3.659 and attr store1 > 3.559 )
     ((attr store1 < 3.826 and attr store1 > 3.766 ) and 
      (bondedto (attr store1 < 97.8300545657  and attr store1 > 97.0300545657 ) or 
       bondedto (attr store1 < 145.554163697  and attr store1 > 144.754163697) or 
       bondedto (attr store1 < 50.1059454343  and attr store1 > 49.3059454343 ))) 
6 0.1 0.1 peak 1909 volume 38.40048 ppm1 3.796 ppm2 3.609
 
! ############### c13noe.1910 folded -
assi (attr store1 < 2.298 and attr store1 > 2.198 )
     ((attr store1 < 3.824 and attr store1 > 3.764 ) and 
      (bondedto (attr store1 < 97.8200545657  and attr store1 > 97.0200545657 ) or 
       bondedto (attr store1 < 145.544163697  and attr store1 > 144.744163697) or 
       bondedto (attr store1 < 50.0959454343  and attr store1 > 49.2959454343 ))) 
6 0.1 0.1 peak 1910 volume 23.09219 ppm1 3.794 ppm2 2.248
 
! ############### c13noe.1911 folded -
assi (attr store1 < 2.098 and attr store1 > 1.998 )
     ((attr store1 < 3.82 and attr store1 > 3.76 ) and 
      (bondedto (attr store1 < 97.8190545657  and attr store1 > 97.0190545657 ) or 
       bondedto (attr store1 < 145.543163697  and attr store1 > 144.743163697) or 
       bondedto (attr store1 < 50.0949454343  and attr store1 > 49.2949454343 ))) 
6 0.1 0.1 peak 1911 volume 18.41675 ppm1 3.790 ppm2 2.048
 
! ############### c13noe.1912 folded -
assi (attr store1 < 8.235 and attr store1 > 8.135 )
     ((attr store1 < 3.64 and attr store1 > 3.58 ) and 
      (bondedto (attr store1 < 97.8330545657  and attr store1 > 97.0330545657 ) or 
       bondedto (attr store1 < 145.557163697  and attr store1 > 144.757163697) or 
       bondedto (attr store1 < 50.1089454343  and attr store1 > 49.3089454343 ))) 
6 0.1 0.1 peak 1912 volume 8.33097 ppm1 3.610 ppm2 8.185
 
! ############### c13noe.1913 folded -
assi (attr store1 < 3.844 and attr store1 > 3.744 )
     ((attr store1 < 3.636 and attr store1 > 3.576 ) and 
      (bondedto (attr store1 < 97.8080545657  and attr store1 > 97.0080545657 ) or 
       bondedto (attr store1 < 145.532163697  and attr store1 > 144.732163697) or 
       bondedto (attr store1 < 50.0839454343  and attr store1 > 49.2839454343 ))) 
6 0.1 0.1 peak 1913 volume 37.67682 ppm1 3.606 ppm2 3.794
 
! ############### c13noe.1914 folded -
assi (attr store1 < 2.301 and attr store1 > 2.201 )
     ((attr store1 < 3.636 and attr store1 > 3.576 ) and 
      (bondedto (attr store1 < 97.7830545657  and attr store1 > 96.9830545657 ) or 
       bondedto (attr store1 < 145.507163697  and attr store1 > 144.707163697) or 
       bondedto (attr store1 < 50.0589454343  and attr store1 > 49.2589454343 ))) 
6 0.1 0.1 peak 1914 volume 36.15362 ppm1 3.606 ppm2 2.251
 
! ############### c13noe.1915 folded -
assi (attr store1 < 2.087 and attr store1 > 1.987 )
     ((attr store1 < 3.633 and attr store1 > 3.573 ) and 
      (bondedto (attr store1 < 97.7860545657  and attr store1 > 96.9860545657 ) or 
       bondedto (attr store1 < 145.510163697  and attr store1 > 144.710163697) or 
       bondedto (attr store1 < 50.0619454343  and attr store1 > 49.2619454343 ))) 
6 0.1 0.1 peak 1915 volume 23.16698 ppm1 3.603 ppm2 2.037
 
! ############### c13noe.1916 folded +
assi (attr store1 < 8.868 and attr store1 > 8.768 )
     ((attr store1 < 1.451 and attr store1 > 1.391 ) and 
      (bondedto (attr store1 < 121.598109131  and attr store1 > 120.798109131 ) or 
       bondedto (attr store1 < 73.874  and attr store1 > 73.074 ) or 
       bondedto (attr store1 < 26.1498908686  and attr store1 > 25.3498908686 ))) 
6 0.1 0.1 peak 1916 volume 9.62003 ppm1 1.421 ppm2 8.818
 
! ############### c13noe.1917 folded +
assi (attr store1 < 3.782 and attr store1 > 3.682 )
     ((attr store1 < 1.451 and attr store1 > 1.391 ) and 
      (bondedto (attr store1 < 121.607109131  and attr store1 > 120.807109131 ) or 
       bondedto (attr store1 < 73.883  and attr store1 > 73.083 ) or 
       bondedto (attr store1 < 26.1588908686  and attr store1 > 25.3588908686 ))) 
6 0.1 0.1 peak 1917 volume 16.06705 ppm1 1.421 ppm2 3.732
 
! ############### c13noe.1918 folded +
assi (attr store1 < 0.947 and attr store1 > 0.847 )
     ((attr store1 < 1.449 and attr store1 > 1.389 ) and 
      (bondedto (attr store1 < 121.622109131  and attr store1 > 120.822109131 ) or 
       bondedto (attr store1 < 73.898  and attr store1 > 73.098 ) or 
       bondedto (attr store1 < 26.1738908686  and attr store1 > 25.3738908686 ))) 
6 0.1 0.1 peak 1918 volume 45.75780 ppm1 1.419 ppm2 0.897
 
! ############### c13noe.1919 folded +
assi (attr store1 < 8.478 and attr store1 > 8.378 )
     ((attr store1 < 0.994 and attr store1 > 0.934 ) and 
      (bondedto (attr store1 < 121.605109131  and attr store1 > 120.805109131 ) or 
       bondedto (attr store1 < 73.881  and attr store1 > 73.081 ) or 
       bondedto (attr store1 < 26.1568908686  and attr store1 > 25.3568908686 ))) 
6 0.1 0.1 peak 1919 volume 11.15464 ppm1 0.964 ppm2 8.428
 
! ############### c13noe.1920 folded +
assi (attr store1 < 7.867 and attr store1 > 7.767 )
     ((attr store1 < 0.988 and attr store1 > 0.928 ) and 
      (bondedto (attr store1 < 121.582109131  and attr store1 > 120.782109131 ) or 
       bondedto (attr store1 < 73.858  and attr store1 > 73.058 ) or 
       bondedto (attr store1 < 26.1338908686  and attr store1 > 25.3338908686 ))) 
6 0.1 0.1 peak 1920 volume 9.55963 ppm1 0.958 ppm2 7.817
 
! ############### c13noe.1921 folded -
assi (attr store1 < 2.072 and attr store1 > 1.972 )
     ((attr store1 < 3.711 and attr store1 > 3.651 ) and 
      (bondedto (attr store1 < 97.6980545657  and attr store1 > 96.8980545657 ) or 
       bondedto (attr store1 < 145.422163697  and attr store1 > 144.622163697) or 
       bondedto (attr store1 < 49.9739454343  and attr store1 > 49.1739454343 ))) 
6 0.1 0.1 peak 1921 volume 11.14855 ppm1 3.681 ppm2 2.022
 
! ############### c13noe.1922 folded -
assi (attr store1 < 2.371 and attr store1 > 2.271 )
     ((attr store1 < 3.709 and attr store1 > 3.649 ) and 
      (bondedto (attr store1 < 97.6920545657  and attr store1 > 96.8920545657 ) or 
       bondedto (attr store1 < 145.416163697  and attr store1 > 144.616163697) or 
       bondedto (attr store1 < 49.9679454343  and attr store1 > 49.1679454343 ))) 
6 0.1 0.1 peak 1922 volume 13.90442 ppm1 3.679 ppm2 2.321
 
! ############### c13noe.1923 folded -
assi (attr store1 < 2.448 and attr store1 > 2.348 )
     ((attr store1 < 3.631 and attr store1 > 3.571 ) and 
      (bondedto (attr store1 < 97.7580545657  and attr store1 > 96.9580545657 ) or 
       bondedto (attr store1 < 145.482163697  and attr store1 > 144.682163697) or 
       bondedto (attr store1 < 50.0339454343  and attr store1 > 49.2339454343 ))) 
6 0.1 0.1 peak 1923 volume 9.93917 ppm1 3.601 ppm2 2.398
 
! ############### c13noe.1924 folded +
assi (attr store1 < 2.006 and attr store1 > 1.906 )
     ((attr store1 < 2.341 and attr store1 > 2.281 ) and 
      (bondedto (attr store1 < 121.485109131  and attr store1 > 120.685109131 ) or 
       bondedto (attr store1 < 73.761  and attr store1 > 72.961 ) or 
       bondedto (attr store1 < 26.0368908686  and attr store1 > 25.2368908686 ))) 
6 0.1 0.1 peak 1924 volume 14.34026 ppm1 2.311 ppm2 1.956
 
! ############### c13noe.1925 folded +
assi (attr store1 < 1.692 and attr store1 > 1.592 )
     ((attr store1 < 2.032 and attr store1 > 1.972 ) and 
      (bondedto (attr store1 < 121.476109131  and attr store1 > 120.676109131 ) or 
       bondedto (attr store1 < 73.752  and attr store1 > 72.952 ) or 
       bondedto (attr store1 < 26.0278908686  and attr store1 > 25.2278908686 ))) 
6 0.1 0.1 peak 1925 volume 12.97375 ppm1 2.002 ppm2 1.642
 
! ############### c13noe.1926 folded +
assi (attr store1 < 1.541 and attr store1 > 1.441 )
     ((attr store1 < 2.033 and attr store1 > 1.973 ) and 
      (bondedto (attr store1 < 121.464109131  and attr store1 > 120.664109131 ) or 
       bondedto (attr store1 < 73.74  and attr store1 > 72.94 ) or 
       bondedto (attr store1 < 26.0158908686  and attr store1 > 25.2158908686 ))) 
6 0.1 0.1 peak 1926 volume 10.04209 ppm1 2.003 ppm2 1.491
 
! ############### c13noe.1927 folded +
assi (attr store1 < 2.361 and attr store1 > 2.261 )
     ((attr store1 < 1.977 and attr store1 > 1.917 ) and 
      (bondedto (attr store1 < 121.468109131  and attr store1 > 120.668109131 ) or 
       bondedto (attr store1 < 73.744  and attr store1 > 72.944 ) or 
       bondedto (attr store1 < 26.0198908686  and attr store1 > 25.2198908686 ))) 
6 0.1 0.1 peak 1927 volume 10.52317 ppm1 1.947 ppm2 2.311
 
! ############### c13noe.1928 folded +
assi (attr store1 < 1.735 and attr store1 > 1.635 )
     ((attr store1 < 1.793 and attr store1 > 1.733 ) and 
      (bondedto (attr store1 < 121.466109131  and attr store1 > 120.666109131 ) or 
       bondedto (attr store1 < 73.742  and attr store1 > 72.942 ) or 
       bondedto (attr store1 < 26.0178908686  and attr store1 > 25.2178908686 ))) 
6 0.1 0.1 peak 1928 volume 30.17286 ppm1 1.763 ppm2 1.685
 
! ############### c13noe.1929 folded +
assi (attr store1 < 4.241 and attr store1 > 4.141 )
     ((attr store1 < 1.662 and attr store1 > 1.602 ) and 
      (bondedto (attr store1 < 121.484109131  and attr store1 > 120.684109131 ) or 
       bondedto (attr store1 < 73.76  and attr store1 > 72.96 ) or 
       bondedto (attr store1 < 26.0358908686  and attr store1 > 25.2358908686 ))) 
6 0.1 0.1 peak 1929 volume 22.37270 ppm1 1.632 ppm2 4.191
 
! ############### c13noe.1930 folded +
assi (attr store1 < 3.05 and attr store1 > 2.95 )
     ((attr store1 < 1.529 and attr store1 > 1.469 ) and 
      (bondedto (attr store1 < 121.484109131  and attr store1 > 120.684109131 ) or 
       bondedto (attr store1 < 73.76  and attr store1 > 72.96 ) or 
       bondedto (attr store1 < 26.0358908686  and attr store1 > 25.2358908686 ))) 
6 0.1 0.1 peak 1930 volume 35.34033 ppm1 1.499 ppm2 3.000
 
! ############### c13noe.1931 folded +
assi (attr store1 < 7.872 and attr store1 > 7.772 )
     ((attr store1 < 1.523 and attr store1 > 1.463 ) and 
      (bondedto (attr store1 < 121.516109131  and attr store1 > 120.716109131 ) or 
       bondedto (attr store1 < 73.792  and attr store1 > 72.992 ) or 
       bondedto (attr store1 < 26.0678908686  and attr store1 > 25.2678908686 ))) 
6 0.1 0.1 peak 1931 volume 15.91076 ppm1 1.493 ppm2 7.822
 
! ############### c13noe.1932 folded +
assi (attr store1 < 4.24 and attr store1 > 4.14 )
     ((attr store1 < 1.523 and attr store1 > 1.463 ) and 
      (bondedto (attr store1 < 121.461109131  and attr store1 > 120.661109131 ) or 
       bondedto (attr store1 < 73.737  and attr store1 > 72.937 ) or 
       bondedto (attr store1 < 26.0128908686  and attr store1 > 25.2128908686 ))) 
6 0.1 0.1 peak 1932 volume 27.11132 ppm1 1.493 ppm2 4.190
 
! ############### c13noe.1933 folded +
assi (attr store1 < 1.251 and attr store1 > 1.151 )
     ((attr store1 < 1.486 and attr store1 > 1.426 ) and 
      (bondedto (attr store1 < 121.481109131  and attr store1 > 120.681109131 ) or 
       bondedto (attr store1 < 73.757  and attr store1 > 72.957 ) or 
       bondedto (attr store1 < 26.0328908686  and attr store1 > 25.2328908686 ))) 
6 0.1 0.1 peak 1933 volume 25.97617 ppm1 1.456 ppm2 1.201
 
! ############### c13noe.1934 folded -
assi (attr store1 < 8.323 and attr store1 > 8.223 )
     ((attr store1 < 3.713 and attr store1 > 3.653 ) and 
      (bondedto (attr store1 < 97.6630545657  and attr store1 > 96.8630545657 ) or 
       bondedto (attr store1 < 145.387163697  and attr store1 > 144.587163697) or 
       bondedto (attr store1 < 49.9389454343  and attr store1 > 49.1389454343 ))) 
6 0.1 0.1 peak 1934 volume 7.27624 ppm1 3.683 ppm2 8.273
 
! ############### c13noe.1935 folded -
assi (attr store1 < 2.07 and attr store1 > 1.97 )
     ((attr store1 < 3.702 and attr store1 > 3.642 ) and 
      (bondedto (attr store1 < 97.6470545657  and attr store1 > 96.8470545657 ) or 
       bondedto (attr store1 < 145.371163697  and attr store1 > 144.571163697) or 
       bondedto (attr store1 < 49.9229454343  and attr store1 > 49.1229454343 ))) 
6 0.1 0.1 peak 1935 volume 11.01847 ppm1 3.672 ppm2 2.020
 
! ############### c13noe.1936 folded -
assi (attr store1 < 8.324 and attr store1 > 8.224 )
     ((attr store1 < 3.63 and attr store1 > 3.57 ) and 
      (bondedto (attr store1 < 97.6400545657  and attr store1 > 96.8400545657 ) or 
       bondedto (attr store1 < 145.364163697  and attr store1 > 144.564163697) or 
       bondedto (attr store1 < 49.9159454343  and attr store1 > 49.1159454343 ))) 
6 0.1 0.1 peak 1936 volume 7.26735 ppm1 3.600 ppm2 8.274
 
! ############### c13noe.1937 folded -
assi (attr store1 < 2.465 and attr store1 > 2.365 )
     ((attr store1 < 2.382 and attr store1 > 2.322 ) and 
      (bondedto (attr store1 < 97.6410545657  and attr store1 > 96.8410545657 ) or 
       bondedto (attr store1 < 145.365163697  and attr store1 > 144.565163697) or 
       bondedto (attr store1 < 49.9169454343  and attr store1 > 49.1169454343 ))) 
6 0.1 0.1 peak 1937 volume 12.32373 ppm1 2.352 ppm2 2.415
 
! ############### c13noe.1938 folded +
assi (attr store1 < 2.719 and attr store1 > 2.619 )
     ((attr store1 < 2.796 and attr store1 > 2.736 ) and 
      (bondedto (attr store1 < 121.413109131  and attr store1 > 120.613109131 ) or 
       bondedto (attr store1 < 73.689  and attr store1 > 72.889 ) or 
       bondedto (attr store1 < 25.9648908686  and attr store1 > 25.1648908686 ))) 
6 0.1 0.1 peak 1938 volume 10.95843 ppm1 2.766 ppm2 2.669
 
! ############### c13noe.1939 folded +
assi (attr store1 < 2.817 and attr store1 > 2.717 )
     ((attr store1 < 2.698 and attr store1 > 2.638 ) and 
      (bondedto (attr store1 < 121.383109131  and attr store1 > 120.583109131 ) or 
       bondedto (attr store1 < 73.659  and attr store1 > 72.859 ) or 
       bondedto (attr store1 < 25.9348908686  and attr store1 > 25.1348908686 ))) 
6 0.1 0.1 peak 1939 volume 11.34423 ppm1 2.668 ppm2 2.767
 
! ############### c13noe.1940 folded +
assi (attr store1 < 1.585 and attr store1 > 1.485 )
     ((attr store1 < 2.088 and attr store1 > 2.028 ) and 
      (bondedto (attr store1 < 121.396109131  and attr store1 > 120.596109131 ) or 
       bondedto (attr store1 < 73.672  and attr store1 > 72.872 ) or 
       bondedto (attr store1 < 25.9478908686  and attr store1 > 25.1478908686 ))) 
6 0.1 0.1 peak 1940 volume 9.34063 ppm1 2.058 ppm2 1.535
 
! ############### c13noe.1941 folded +
assi (attr store1 < 2.371 and attr store1 > 2.271 )
     ((attr store1 < 2.013 and attr store1 > 1.953 ) and 
      (bondedto (attr store1 < 121.426109131  and attr store1 > 120.626109131 ) or 
       bondedto (attr store1 < 73.702  and attr store1 > 72.902 ) or 
       bondedto (attr store1 < 25.9778908686  and attr store1 > 25.1778908686 ))) 
6 0.1 0.1 peak 1941 volume 10.95666 ppm1 1.983 ppm2 2.321
 
! ############### c13noe.1942 folded +
assi (attr store1 < 1.584 and attr store1 > 1.484 )
     ((attr store1 < 1.81 and attr store1 > 1.75 ) and 
      (bondedto (attr store1 < 121.443109131  and attr store1 > 120.643109131 ) or 
       bondedto (attr store1 < 73.719  and attr store1 > 72.919 ) or 
       bondedto (attr store1 < 25.9948908686  and attr store1 > 25.1948908686 ))) 
6 0.1 0.1 peak 1942 volume 16.40789 ppm1 1.780 ppm2 1.534
 
! ############### c13noe.1943 folded +
assi (attr store1 < 8.155 and attr store1 > 8.055 )
     ((attr store1 < 1.713 and attr store1 > 1.653 ) and 
      (bondedto (attr store1 < 121.402109131  and attr store1 > 120.602109131 ) or 
       bondedto (attr store1 < 73.678  and attr store1 > 72.878 ) or 
       bondedto (attr store1 < 25.9538908686  and attr store1 > 25.1538908686 ))) 
6 0.1 0.1 peak 1943 volume 10.35488 ppm1 1.683 ppm2 8.105
 
! ############### c13noe.1944 folded +
assi (attr store1 < 4.039 and attr store1 > 3.939 )
     ((attr store1 < 1.707 and attr store1 > 1.647 ) and 
      (bondedto (attr store1 < 121.419109131  and attr store1 > 120.619109131 ) or 
       bondedto (attr store1 < 73.695  and attr store1 > 72.895 ) or 
       bondedto (attr store1 < 25.9708908686  and attr store1 > 25.1708908686 ))) 
6 0.1 0.1 peak 1944 volume 18.18326 ppm1 1.677 ppm2 3.989
 
! ############### c13noe.1945 folded +
assi (attr store1 < 3.091 and attr store1 > 2.991 )
     ((attr store1 < 1.708 and attr store1 > 1.648 ) and 
      (bondedto (attr store1 < 121.414109131  and attr store1 > 120.614109131 ) or 
       bondedto (attr store1 < 73.69  and attr store1 > 72.89 ) or 
       bondedto (attr store1 < 25.9658908686  and attr store1 > 25.1658908686 ))) 
6 0.1 0.1 peak 1945 volume 26.66845 ppm1 1.678 ppm2 3.041
 
! ############### c13noe.1946 folded +
assi (attr store1 < 3.038 and attr store1 > 2.938 )
     ((attr store1 < 1.667 and attr store1 > 1.607 ) and 
      (bondedto (attr store1 < 121.420109131  and attr store1 > 120.620109131 ) or 
       bondedto (attr store1 < 73.696  and attr store1 > 72.896 ) or 
       bondedto (attr store1 < 25.9718908686  and attr store1 > 25.1718908686 ))) 
6 0.1 0.1 peak 1946 volume 32.02740 ppm1 1.637 ppm2 2.988
 
! ############### c13noe.1947 folded +
assi (attr store1 < 7.869 and attr store1 > 7.769 )
     ((attr store1 < 1.666 and attr store1 > 1.606 ) and 
      (bondedto (attr store1 < 121.405109131  and attr store1 > 120.605109131 ) or 
       bondedto (attr store1 < 73.681  and attr store1 > 72.881 ) or 
       bondedto (attr store1 < 25.9568908686  and attr store1 > 25.1568908686 ))) 
6 0.1 0.1 peak 1947 volume 26.59012 ppm1 1.636 ppm2 7.819
 
! ############### c13noe.1948 folded +
assi (attr store1 < 4.733 and attr store1 > 4.633 )
     ((attr store1 < 1.666 and attr store1 > 1.606 ) and 
      (bondedto (attr store1 < 121.366109131  and attr store1 > 120.566109131 ) or 
       bondedto (attr store1 < 73.642  and attr store1 > 72.842 ) or 
       bondedto (attr store1 < 25.9178908686  and attr store1 > 25.1178908686 ))) 
6 0.1 0.1 peak 1948 volume 7.68361 ppm1 1.636 ppm2 4.683
 
! ############### c13noe.1949 folded +
assi (attr store1 < 8.164 and attr store1 > 8.064 )
     ((attr store1 < 1.566 and attr store1 > 1.506 ) and 
      (bondedto (attr store1 < 121.421109131  and attr store1 > 120.621109131 ) or 
       bondedto (attr store1 < 73.697  and attr store1 > 72.897 ) or 
       bondedto (attr store1 < 25.9728908686  and attr store1 > 25.1728908686 ))) 
6 0.1 0.1 peak 1949 volume 9.13934 ppm1 1.536 ppm2 8.114
 
! ############### c13noe.1950 folded +
assi (attr store1 < 7.81 and attr store1 > 7.71 )
     ((attr store1 < 1.557 and attr store1 > 1.497 ) and 
      (bondedto (attr store1 < 121.416109131  and attr store1 > 120.616109131 ) or 
       bondedto (attr store1 < 73.692  and attr store1 > 72.892 ) or 
       bondedto (attr store1 < 25.9678908686  and attr store1 > 25.1678908686 ))) 
6 0.1 0.1 peak 1950 volume 7.67399 ppm1 1.527 ppm2 7.760
 
! ############### c13noe.1951 folded +
assi (attr store1 < 4.026 and attr store1 > 3.926 )
     ((attr store1 < 1.559 and attr store1 > 1.499 ) and 
      (bondedto (attr store1 < 121.400109131  and attr store1 > 120.600109131 ) or 
       bondedto (attr store1 < 73.676  and attr store1 > 72.876 ) or 
       bondedto (attr store1 < 25.9518908686  and attr store1 > 25.1518908686 ))) 
6 0.1 0.1 peak 1951 volume 29.01413 ppm1 1.529 ppm2 3.976
 
! ############### c13noe.1952 folded +
assi (attr store1 < 3.082 and attr store1 > 2.982 )
     ((attr store1 < 1.56 and attr store1 > 1.5 ) and 
      (bondedto (attr store1 < 121.368109131  and attr store1 > 120.568109131 ) or 
       bondedto (attr store1 < 73.644  and attr store1 > 72.844 ) or 
       bondedto (attr store1 < 25.9198908686  and attr store1 > 25.1198908686 ))) 
6 0.1 0.1 peak 1952 volume 40.92761 ppm1 1.530 ppm2 3.032
 
! ############### c13noe.1953 folded +
assi (attr store1 < 7.681 and attr store1 > 7.581 )
     ((attr store1 < 1.555 and attr store1 > 1.495 ) and 
      (bondedto (attr store1 < 121.391109131  and attr store1 > 120.591109131 ) or 
       bondedto (attr store1 < 73.667  and attr store1 > 72.867 ) or 
       bondedto (attr store1 < 25.9428908686  and attr store1 > 25.1428908686 ))) 
6 0.1 0.1 peak 1953 volume 10.79812 ppm1 1.525 ppm2 7.631
 
! ############### c13noe.1954 folded +
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 1.555 and attr store1 > 1.495 ) and 
      (bondedto (attr store1 < 121.406109131  and attr store1 > 120.606109131 ) or 
       bondedto (attr store1 < 73.682  and attr store1 > 72.882 ) or 
       bondedto (attr store1 < 25.9578908686  and attr store1 > 25.1578908686 ))) 
6 0.1 0.1 peak 1954 volume 15.65949 ppm1 1.525 ppm2 4.686
 
! ############### c13noe.1955 folded +
assi (attr store1 < 2.391 and attr store1 > 2.291 )
     ((attr store1 < 1.553 and attr store1 > 1.493 ) and 
      (bondedto (attr store1 < 121.410109131  and attr store1 > 120.610109131 ) or 
       bondedto (attr store1 < 73.686  and attr store1 > 72.886 ) or 
       bondedto (attr store1 < 25.9618908686  and attr store1 > 25.1618908686 ))) 
6 0.1 0.1 peak 1955 volume 23.18958 ppm1 1.523 ppm2 2.341
 
! ############### c13noe.1956 folded +
assi (attr store1 < 0.962 and attr store1 > 0.862 )
     ((attr store1 < 1.549 and attr store1 > 1.489 ) and 
      (bondedto (attr store1 < 121.409109131  and attr store1 > 120.609109131 ) or 
       bondedto (attr store1 < 73.685  and attr store1 > 72.885 ) or 
       bondedto (attr store1 < 25.9608908686  and attr store1 > 25.1608908686 ))) 
6 0.1 0.1 peak 1956 volume 42.90102 ppm1 1.519 ppm2 0.912
 
! ############### c13noe.1957 folded +
assi (attr store1 < 3.001 and attr store1 > 2.901 )
     ((attr store1 < 1.454 and attr store1 > 1.394 ) and 
      (bondedto (attr store1 < 121.355109131  and attr store1 > 120.555109131 ) or 
       bondedto (attr store1 < 73.631  and attr store1 > 72.831 ) or 
       bondedto (attr store1 < 25.9068908686  and attr store1 > 25.1068908686 ))) 
6 0.1 0.1 peak 1957 volume 19.87879 ppm1 1.424 ppm2 2.951
 
! ############### c13noe.1958 folded +
assi (attr store1 < 8.982 and attr store1 > 8.882 )
     ((attr store1 < 1.091 and attr store1 > 1.031 ) and 
      (bondedto (attr store1 < 121.443109131  and attr store1 > 120.643109131 ) or 
       bondedto (attr store1 < 73.719  and attr store1 > 72.919 ) or 
       bondedto (attr store1 < 25.9948908686  and attr store1 > 25.1948908686 ))) 
6 0.1 0.1 peak 1958 volume 7.92519 ppm1 1.061 ppm2 8.932
 
! ############### c13noe.1959 folded +
assi (attr store1 < 8.569 and attr store1 > 8.469 )
     ((attr store1 < 1.092 and attr store1 > 1.032 ) and 
      (bondedto (attr store1 < 121.426109131  and attr store1 > 120.626109131 ) or 
       bondedto (attr store1 < 73.702  and attr store1 > 72.902 ) or 
       bondedto (attr store1 < 25.9778908686  and attr store1 > 25.1778908686 ))) 
6 0.1 0.1 peak 1959 volume 9.77629 ppm1 1.062 ppm2 8.519
 
! ############### c13noe.1960 folded +
assi (attr store1 < 4.228 and attr store1 > 4.128 )
     ((attr store1 < 1.09 and attr store1 > 1.03 ) and 
      (bondedto (attr store1 < 121.427109131  and attr store1 > 120.627109131 ) or 
       bondedto (attr store1 < 73.703  and attr store1 > 72.903 ) or 
       bondedto (attr store1 < 25.9788908686  and attr store1 > 25.1788908686 ))) 
6 0.1 0.1 peak 1960 volume 39.01208 ppm1 1.060 ppm2 4.178
 
! ############### c13noe.1961 folded +
assi (attr store1 < 8.851 and attr store1 > 8.751 )
     ((attr store1 < 0.927 and attr store1 > 0.867 ) and 
      (bondedto (attr store1 < 121.427109131  and attr store1 > 120.627109131 ) or 
       bondedto (attr store1 < 73.703  and attr store1 > 72.903 ) or 
       bondedto (attr store1 < 25.9788908686  and attr store1 > 25.1788908686 ))) 
6 0.1 0.1 peak 1961 volume 22.90127 ppm1 0.897 ppm2 8.801
 
! ############### c13noe.1962 folded +
assi (attr store1 < 7.87 and attr store1 > 7.77 )
     ((attr store1 < 0.928 and attr store1 > 0.868 ) and 
      (bondedto (attr store1 < 121.440109131  and attr store1 > 120.640109131 ) or 
       bondedto (attr store1 < 73.716  and attr store1 > 72.916 ) or 
       bondedto (attr store1 < 25.9918908686  and attr store1 > 25.1918908686 ))) 
6 0.1 0.1 peak 1962 volume 7.38358 ppm1 0.898 ppm2 7.820
 
! ############### c13noe.1963 folded +
assi (attr store1 < 4.098 and attr store1 > 3.998 )
     ((attr store1 < 0.928 and attr store1 > 0.868 ) and 
      (bondedto (attr store1 < 121.443109131  and attr store1 > 120.643109131 ) or 
       bondedto (attr store1 < 73.719  and attr store1 > 72.919 ) or 
       bondedto (attr store1 < 25.9948908686  and attr store1 > 25.1948908686 ))) 
6 0.1 0.1 peak 1963 volume 40.29929 ppm1 0.898 ppm2 4.048
 
! ############### c13noe.1964 folded +
assi (attr store1 < 2.985 and attr store1 > 2.885 )
     ((attr store1 < 0.928 and attr store1 > 0.868 ) and 
      (bondedto (attr store1 < 121.425109131  and attr store1 > 120.625109131 ) or 
       bondedto (attr store1 < 73.701  and attr store1 > 72.901 ) or 
       bondedto (attr store1 < 25.9768908686  and attr store1 > 25.1768908686 ))) 
6 0.1 0.1 peak 1964 volume 24.00149 ppm1 0.898 ppm2 2.935
 
! ############### c13noe.1965 folded -
assi (attr store1 < 3.719 and attr store1 > 3.619 )
     ((attr store1 < 3.873 and attr store1 > 3.813 ) and 
      (bondedto (attr store1 < 97.5360545657  and attr store1 > 96.7360545657 ) or 
       bondedto (attr store1 < 145.260163697  and attr store1 > 144.460163697) or 
       bondedto (attr store1 < 49.8119454343  and attr store1 > 49.0119454343 ))) 
6 0.1 0.1 peak 1965 volume 23.40839 ppm1 3.843 ppm2 3.669
 
! ############### c13noe.1966 folded -
assi (attr store1 < 3.889 and attr store1 > 3.789 )
     ((attr store1 < 3.707 and attr store1 > 3.647 ) and 
      (bondedto (attr store1 < 97.5580545657  and attr store1 > 96.7580545657 ) or 
       bondedto (attr store1 < 145.282163697  and attr store1 > 144.482163697) or 
       bondedto (attr store1 < 49.8339454343  and attr store1 > 49.0339454343 ))) 
6 0.1 0.1 peak 1966 volume 24.89177 ppm1 3.677 ppm2 3.839
 
! ############### c13noe.1967 folded -
assi (attr store1 < 3.369 and attr store1 > 3.269 )
     ((attr store1 < 3.291 and attr store1 > 3.231 ) and 
      (bondedto (attr store1 < 97.5030545657  and attr store1 > 96.7030545657 ) or 
       bondedto (attr store1 < 145.227163697  and attr store1 > 144.427163697) or 
       bondedto (attr store1 < 49.7789454343  and attr store1 > 48.9789454343 ))) 
6 0.1 0.1 peak 1967 volume 21.1301 ppm1 3.261 ppm2 3.319
 
! ############### c13noe.1968 folded +
assi (attr store1 < 3.299 and attr store1 > 3.199 )
     ((attr store1 < 3.189 and attr store1 > 3.129 ) and 
      (bondedto (attr store1 < 121.294109131  and attr store1 > 120.494109131 ) or 
       bondedto (attr store1 < 73.57  and attr store1 > 72.77 ) or 
       bondedto (attr store1 < 25.8458908686  and attr store1 > 25.0458908686 ))) 
6 0.1 0.1 peak 1968 volume 20.63955 ppm1 3.159 ppm2 3.249
 
! ############### c13noe.1969 folded +
assi (attr store1 < 1.715 and attr store1 > 1.615 )
     ((attr store1 < 2.096 and attr store1 > 2.036 ) and 
      (bondedto (attr store1 < 121.330109131  and attr store1 > 120.530109131 ) or 
       bondedto (attr store1 < 73.606  and attr store1 > 72.806 ) or 
       bondedto (attr store1 < 25.8818908686  and attr store1 > 25.0818908686 ))) 
6 0.1 0.1 peak 1969 volume 9.28759 ppm1 2.066 ppm2 1.665
 
! ############### c13noe.1970 folded +
assi (attr store1 < 1.477 and attr store1 > 1.377 )
     ((attr store1 < 2.082 and attr store1 > 2.022 ) and 
      (bondedto (attr store1 < 121.311109131  and attr store1 > 120.511109131 ) or 
       bondedto (attr store1 < 73.587  and attr store1 > 72.787 ) or 
       bondedto (attr store1 < 25.8628908686  and attr store1 > 25.0628908686 ))) 
6 0.1 0.1 peak 1970 volume 11.65607 ppm1 2.052 ppm2 1.427
 
! ############### c13noe.1971 folded +
assi (attr store1 < 1.48 and attr store1 > 1.38 )
     ((attr store1 < 1.75 and attr store1 > 1.69 ) and 
      (bondedto (attr store1 < 121.313109131  and attr store1 > 120.513109131 ) or 
       bondedto (attr store1 < 73.589  and attr store1 > 72.789 ) or 
       bondedto (attr store1 < 25.8648908686  and attr store1 > 25.0648908686 ))) 
6 0.1 0.1 peak 1971 volume 29.27958 ppm1 1.720 ppm2 1.430
 
! ############### c13noe.1972 folded +
assi (attr store1 < 4.057 and attr store1 > 3.957 )
     ((attr store1 < 1.676 and attr store1 > 1.616 ) and 
      (bondedto (attr store1 < 121.319109131  and attr store1 > 120.519109131 ) or 
       bondedto (attr store1 < 73.595  and attr store1 > 72.795 ) or 
       bondedto (attr store1 < 25.8708908686  and attr store1 > 25.0708908686 ))) 
6 0.1 0.1 peak 1972 volume 16.33141 ppm1 1.646 ppm2 4.007
 
! ############### c13noe.1973 folded +
assi (attr store1 < 2.099 and attr store1 > 1.999 )
     ((attr store1 < 1.677 and attr store1 > 1.617 ) and 
      (bondedto (attr store1 < 121.336109131  and attr store1 > 120.536109131 ) or 
       bondedto (attr store1 < 73.612  and attr store1 > 72.812 ) or 
       bondedto (attr store1 < 25.8878908686  and attr store1 > 25.0878908686 ))) 
6 0.1 0.1 peak 1973 volume 48.09899 ppm1 1.647 ppm2 2.049
 
! ############### c13noe.1974 folded +
assi (attr store1 < 1.477 and attr store1 > 1.377 )
     ((attr store1 < 1.675 and attr store1 > 1.615 ) and 
      (bondedto (attr store1 < 121.300109131  and attr store1 > 120.500109131 ) or 
       bondedto (attr store1 < 73.576  and attr store1 > 72.776 ) or 
       bondedto (attr store1 < 25.8518908686  and attr store1 > 25.0518908686 ))) 
6 0.1 0.1 peak 1974 volume 140.68021 ppm1 1.645 ppm2 1.427
 
! ############### c13noe.1975 folded +
assi (attr store1 < 7.863 and attr store1 > 7.763 )
     ((attr store1 < 1.453 and attr store1 > 1.393 ) and 
      (bondedto (attr store1 < 121.295109131  and attr store1 > 120.495109131 ) or 
       bondedto (attr store1 < 73.571  and attr store1 > 72.771 ) or 
       bondedto (attr store1 < 25.8468908686  and attr store1 > 25.0468908686 ))) 
6 0.1 0.1 peak 1975 volume 9.59492 ppm1 1.423 ppm2 7.813
 
! ############### c13noe.1976 folded +
assi (attr store1 < 4.061 and attr store1 > 3.961 )
     ((attr store1 < 1.455 and attr store1 > 1.395 ) and 
      (bondedto (attr store1 < 121.313109131  and attr store1 > 120.513109131 ) or 
       bondedto (attr store1 < 73.589  and attr store1 > 72.789 ) or 
       bondedto (attr store1 < 25.8648908686  and attr store1 > 25.0648908686 ))) 
6 0.1 0.1 peak 1976 volume 18.02537 ppm1 1.425 ppm2 4.011
 
! ############### c13noe.1977 folded +
assi (attr store1 < 2.111 and attr store1 > 2.011 )
     ((attr store1 < 1.454 and attr store1 > 1.394 ) and 
      (bondedto (attr store1 < 121.330109131  and attr store1 > 120.530109131 ) or 
       bondedto (attr store1 < 73.606  and attr store1 > 72.806 ) or 
       bondedto (attr store1 < 25.8818908686  and attr store1 > 25.0818908686 ))) 
6 0.1 0.1 peak 1977 volume 45.52706 ppm1 1.424 ppm2 2.061
 
! ############### c13noe.1978 folded +
assi (attr store1 < 1.504 and attr store1 > 1.404 )
     ((attr store1 < 1.219 and attr store1 > 1.159 ) and 
      (bondedto (attr store1 < 121.339109131  and attr store1 > 120.539109131 ) or 
       bondedto (attr store1 < 73.615  and attr store1 > 72.815 ) or 
       bondedto (attr store1 < 25.8908908686  and attr store1 > 25.0908908686 ))) 
6 0.1 0.1 peak 1978 volume 25.30510 ppm1 1.189 ppm2 1.454
 
! ############### c13noe.1979 folded +
assi (attr store1 < 8.573 and attr store1 > 8.473 )
     ((attr store1 < 1.001 and attr store1 > 0.941 ) and 
      (bondedto (attr store1 < 121.175109131  and attr store1 > 120.375109131 ) or 
       bondedto (attr store1 < 73.451  and attr store1 > 72.651 ) or 
       bondedto (attr store1 < 25.7268908686  and attr store1 > 24.9268908686 ))) 
6 0.1 0.1 peak 1979 volume 27.55633 ppm1 0.971 ppm2 8.523
 
! ############### c13noe.1980 folded -
assi (attr store1 < 3.302 and attr store1 > 3.202 )
     ((attr store1 < 3.349 and attr store1 > 3.289 ) and 
      (bondedto (attr store1 < 97.3650545657  and attr store1 > 96.5650545657 ) or 
       bondedto (attr store1 < 145.089163697  and attr store1 > 144.289163697) or 
       bondedto (attr store1 < 49.6409454343  and attr store1 > 48.8409454343 ))) 
6 0.1 0.1 peak 1980 volume 16.255 ppm1 3.319 ppm2 3.252
 
! ############### c13noe.1981 folded +
assi (attr store1 < 1.921 and attr store1 > 1.821 )
     ((attr store1 < 1.969 and attr store1 > 1.909 ) and 
      (bondedto (attr store1 < 121.125109131  and attr store1 > 120.325109131 ) or 
       bondedto (attr store1 < 73.401  and attr store1 > 72.601 ) or 
       bondedto (attr store1 < 25.6768908686  and attr store1 > 24.8768908686 ))) 
6 0.1 0.1 peak 1981 volume 20.61545 ppm1 1.939 ppm2 1.871
 
! ############### c13noe.1982 folded +
assi (attr store1 < 2.039 and attr store1 > 1.939 )
     ((attr store1 < 1.922 and attr store1 > 1.862 ) and 
      (bondedto (attr store1 < 121.117109131  and attr store1 > 120.317109131 ) or 
       bondedto (attr store1 < 73.393  and attr store1 > 72.593 ) or 
       bondedto (attr store1 < 25.6688908686  and attr store1 > 24.8688908686 ))) 
6 0.1 0.1 peak 1982 volume 23.34905 ppm1 1.892 ppm2 1.989
 
! ############### c13noe.1983 folded +
assi (attr store1 < 1.991 and attr store1 > 1.891 )
     ((attr store1 < 1.906 and attr store1 > 1.846 ) and 
      (bondedto (attr store1 < 121.130109131  and attr store1 > 120.330109131 ) or 
       bondedto (attr store1 < 73.406  and attr store1 > 72.606 ) or 
       bondedto (attr store1 < 25.6818908686  and attr store1 > 24.8818908686 ))) 
6 0.1 0.1 peak 1983 volume 19.93413 ppm1 1.876 ppm2 1.941
 
! ############### c13noe.1984 folded +
assi (attr store1 < 1.657 and attr store1 > 1.557 )
     ((attr store1 < 1.863 and attr store1 > 1.803 ) and 
      (bondedto (attr store1 < 121.078109131  and attr store1 > 120.278109131 ) or 
       bondedto (attr store1 < 73.354  and attr store1 > 72.554 ) or 
       bondedto (attr store1 < 25.6298908686  and attr store1 > 24.8298908686 ))) 
6 0.1 0.1 peak 1984 volume 13.48987 ppm1 1.833 ppm2 1.607
 
! ############### c13noe.1985 folded +
assi (attr store1 < 1.59 and attr store1 > 1.49 )
     ((attr store1 < 1.862 and attr store1 > 1.802 ) and 
      (bondedto (attr store1 < 121.090109131  and attr store1 > 120.290109131 ) or 
       bondedto (attr store1 < 73.366  and attr store1 > 72.566 ) or 
       bondedto (attr store1 < 25.6418908686  and attr store1 > 24.8418908686 ))) 
6 0.1 0.1 peak 1985 volume 14.07508 ppm1 1.832 ppm2 1.540
 
! ############### c13noe.1986 folded +
assi (attr store1 < 4.167 and attr store1 > 4.067 )
     ((attr store1 < 1.636 and attr store1 > 1.576 ) and 
      (bondedto (attr store1 < 121.077109131  and attr store1 > 120.277109131 ) or 
       bondedto (attr store1 < 73.353  and attr store1 > 72.553 ) or 
       bondedto (attr store1 < 25.6288908686  and attr store1 > 24.8288908686 ))) 
6 0.1 0.1 peak 1986 volume 14.54638 ppm1 1.606 ppm2 4.117
 
! ############### c13noe.1987 folded +
assi (attr store1 < 3.071 and attr store1 > 2.971 )
     ((attr store1 < 1.634 and attr store1 > 1.574 ) and 
      (bondedto (attr store1 < 121.125109131  and attr store1 > 120.325109131 ) or 
       bondedto (attr store1 < 73.401  and attr store1 > 72.601 ) or 
       bondedto (attr store1 < 25.6768908686  and attr store1 > 24.8768908686 ))) 
6 0.1 0.1 peak 1987 volume 21.35529 ppm1 1.604 ppm2 3.021
 
! ############### c13noe.1988 folded +
assi (attr store1 < 4.168 and attr store1 > 4.068 )
     ((attr store1 < 1.566 and attr store1 > 1.506 ) and 
      (bondedto (attr store1 < 121.130109131  and attr store1 > 120.330109131 ) or 
       bondedto (attr store1 < 73.406  and attr store1 > 72.606 ) or 
       bondedto (attr store1 < 25.6818908686  and attr store1 > 24.8818908686 ))) 
6 0.1 0.1 peak 1988 volume 16.00644 ppm1 1.536 ppm2 4.118
 
! ############### c13noe.1989 folded +
assi (attr store1 < 1.167 and attr store1 > 1.067 )
     ((attr store1 < 1.566 and attr store1 > 1.506 ) and 
      (bondedto (attr store1 < 121.084109131  and attr store1 > 120.284109131 ) or 
       bondedto (attr store1 < 73.36  and attr store1 > 72.56 ) or 
       bondedto (attr store1 < 25.6358908686  and attr store1 > 24.8358908686 ))) 
6 0.1 0.1 peak 1989 volume 15.54764 ppm1 1.536 ppm2 1.117
 
! ############### c13noe.1990 folded +
assi (attr store1 < 8.479 and attr store1 > 8.379 )
     ((attr store1 < 1.0 and attr store1 > 0.94 ) and 
      (bondedto (attr store1 < 121.144109131  and attr store1 > 120.344109131 ) or 
       bondedto (attr store1 < 73.42  and attr store1 > 72.62 ) or 
       bondedto (attr store1 < 25.6958908686  and attr store1 > 24.8958908686 ))) 
6 0.1 0.1 peak 1990 volume 20.32147 ppm1 0.970 ppm2 8.429
 
! ############### c13noe.1991 folded +
assi (attr store1 < 7.748 and attr store1 > 7.648 )
     ((attr store1 < 1.0 and attr store1 > 0.94 ) and 
      (bondedto (attr store1 < 121.125109131  and attr store1 > 120.325109131 ) or 
       bondedto (attr store1 < 73.401  and attr store1 > 72.601 ) or 
       bondedto (attr store1 < 25.6768908686  and attr store1 > 24.8768908686 ))) 
6 0.1 0.1 peak 1991 volume 16.54968 ppm1 0.970 ppm2 7.698
 
! ############### c13noe.1992 folded -
assi (attr store1 < 1.859 and attr store1 > 1.759 )
     ((attr store1 < 1.935 and attr store1 > 1.875 ) and 
      (bondedto (attr store1 < 97.2780545657  and attr store1 > 96.4780545657 ) or 
       bondedto (attr store1 < 145.002163697  and attr store1 > 144.202163697) or 
       bondedto (attr store1 < 49.5539454343  and attr store1 > 48.7539454343 ))) 
6 0.1 0.1 peak 1992 volume 15.14967 ppm1 1.905 ppm2 1.809
 
! ############### c13noe.1993 folded -
assi (attr store1 < 1.952 and attr store1 > 1.852 )
     ((attr store1 < 1.829 and attr store1 > 1.769 ) and 
      (bondedto (attr store1 < 97.2660545657  and attr store1 > 96.4660545657 ) or 
       bondedto (attr store1 < 144.990163697  and attr store1 > 144.190163697) or 
       bondedto (attr store1 < 49.5419454343  and attr store1 > 48.7419454343 ))) 
6 0.1 0.1 peak 1993 volume 19.05172 ppm1 1.799 ppm2 1.902
 
! ############### c13noe.1994 folded -
assi (attr store1 < 1.585 and attr store1 > 1.485 )
     ((attr store1 < 1.778 and attr store1 > 1.718 ) and 
      (bondedto (attr store1 < 97.2210545657  and attr store1 > 96.4210545657 ) or 
       bondedto (attr store1 < 144.945163697  and attr store1 > 144.145163697) or 
       bondedto (attr store1 < 49.4969454343  and attr store1 > 48.6969454343 ))) 
6 0.1 0.1 peak 1994 volume 11.12772 ppm1 1.748 ppm2 1.535
 
! ############### c13noe.1995 folded +
assi (attr store1 < 3.815 and attr store1 > 3.715 )
     ((attr store1 < 3.889 and attr store1 > 3.829 ) and 
      (bondedto (attr store1 < 121.040109131  and attr store1 > 120.240109131 ) or 
       bondedto (attr store1 < 73.316  and attr store1 > 72.516 ) or 
       bondedto (attr store1 < 25.5918908686  and attr store1 > 24.7918908686 ))) 
6 0.1 0.1 peak 1995 volume 35.09659 ppm1 3.859 ppm2 3.765
 
! ############### c13noe.1996 folded +
assi (attr store1 < 3.916 and attr store1 > 3.816 )
     ((attr store1 < 3.805 and attr store1 > 3.745 ) and 
      (bondedto (attr store1 < 121.038109131  and attr store1 > 120.238109131 ) or 
       bondedto (attr store1 < 73.314  and attr store1 > 72.514 ) or 
       bondedto (attr store1 < 25.5898908686  and attr store1 > 24.7898908686 ))) 
6 0.1 0.1 peak 1996 volume 31.59256 ppm1 3.775 ppm2 3.866
 
! ############### c13noe.1997 folded +
assi (attr store1 < 2.222 and attr store1 > 2.122 )
     ((attr store1 < 2.298 and attr store1 > 2.238 ) and 
      (bondedto (attr store1 < 121.027109131  and attr store1 > 120.227109131 ) or 
       bondedto (attr store1 < 73.303  and attr store1 > 72.503 ) or 
       bondedto (attr store1 < 25.5788908686  and attr store1 > 24.7788908686 ))) 
6 0.1 0.1 peak 1997 volume 23.65167 ppm1 2.268 ppm2 2.172
 
! ############### c13noe.1998 folded +
assi (attr store1 < 2.222 and attr store1 > 2.122 )
     ((attr store1 < 2.167 and attr store1 > 2.107 ) and 
      (bondedto (attr store1 < 121.060109131  and attr store1 > 120.260109131 ) or 
       bondedto (attr store1 < 73.336  and attr store1 > 72.536 ) or 
       bondedto (attr store1 < 25.6118908686  and attr store1 > 24.8118908686 ))) 
6 0.1 0.1 peak 1998 volume 154.74948 ppm1 2.137 ppm2 2.172
 
! ############### c13noe.1999 folded +
assi (attr store1 < 2.178 and attr store1 > 2.078 )
     ((attr store1 < 2.12 and attr store1 > 2.06 ) and 
      (bondedto (attr store1 < 121.031109131  and attr store1 > 120.231109131 ) or 
       bondedto (attr store1 < 73.307  and attr store1 > 72.507 ) or 
       bondedto (attr store1 < 25.5828908686  and attr store1 > 24.7828908686 ))) 
6 0.1 0.1 peak 1999 volume 187.94771 ppm1 2.090 ppm2 2.128
 
! ############### c13noe.2000 folded +
assi (attr store1 < 2.177 and attr store1 > 2.077 )
     ((attr store1 < 2.059 and attr store1 > 1.999 ) and 
      (bondedto (attr store1 < 121.019109131  and attr store1 > 120.219109131 ) or 
       bondedto (attr store1 < 73.295  and attr store1 > 72.495 ) or 
       bondedto (attr store1 < 25.5708908686  and attr store1 > 24.7708908686 ))) 
6 0.1 0.1 peak 2000 volume 18.51277 ppm1 2.029 ppm2 2.127
 
! ############### c13noe.2001 folded +
assi (attr store1 < 8.643 and attr store1 > 8.543 )
     ((attr store1 < 1.636 and attr store1 > 1.576 ) and 
      (bondedto (attr store1 < 121.051109131  and attr store1 > 120.251109131 ) or 
       bondedto (attr store1 < 73.327  and attr store1 > 72.527 ) or 
       bondedto (attr store1 < 25.6028908686  and attr store1 > 24.8028908686 ))) 
6 0.1 0.1 peak 2001 volume 11.66000 ppm1 1.606 ppm2 8.593
 
! ############### c13noe.2002 folded +
assi (attr store1 < 1.167 and attr store1 > 1.067 )
     ((attr store1 < 1.632 and attr store1 > 1.572 ) and 
      (bondedto (attr store1 < 121.065109131  and attr store1 > 120.265109131 ) or 
       bondedto (attr store1 < 73.341  and attr store1 > 72.541 ) or 
       bondedto (attr store1 < 25.6168908686  and attr store1 > 24.8168908686 ))) 
6 0.1 0.1 peak 2002 volume 14.68746 ppm1 1.602 ppm2 1.117
 
! ############### c13noe.2003 folded +
assi (attr store1 < 0.762 and attr store1 > 0.662 )
     ((attr store1 < 1.591 and attr store1 > 1.531 ) and 
      (bondedto (attr store1 < 121.050109131  and attr store1 > 120.250109131 ) or 
       bondedto (attr store1 < 73.326  and attr store1 > 72.526 ) or 
       bondedto (attr store1 < 25.6018908686  and attr store1 > 24.8018908686 ))) 
6 0.1 0.1 peak 2003 volume 20.36620 ppm1 1.561 ppm2 0.712
 
! ############### c13noe.2004 folded +
assi (attr store1 < 8.638 and attr store1 > 8.538 )
     ((attr store1 < 1.564 and attr store1 > 1.504 ) and 
      (bondedto (attr store1 < 121.056109131  and attr store1 > 120.256109131 ) or 
       bondedto (attr store1 < 73.332  and attr store1 > 72.532 ) or 
       bondedto (attr store1 < 25.6078908686  and attr store1 > 24.8078908686 ))) 
6 0.1 0.1 peak 2004 volume 11.67984 ppm1 1.534 ppm2 8.588
 
! ############### c13noe.2005 folded +
assi (attr store1 < 8.715 and attr store1 > 8.615 )
     ((attr store1 < 0.982 and attr store1 > 0.922 ) and 
      (bondedto (attr store1 < 121.033109131  and attr store1 > 120.233109131 ) or 
       bondedto (attr store1 < 73.309  and attr store1 > 72.509 ) or 
       bondedto (attr store1 < 25.5848908686  and attr store1 > 24.7848908686 ))) 
6 0.1 0.1 peak 2005 volume 8.64084 ppm1 0.952 ppm2 8.665
 
! ############### c13noe.2006 folded +
assi (attr store1 < 9.236 and attr store1 > 9.136 )
     ((attr store1 < 0.942 and attr store1 > 0.882 ) and 
      (bondedto (attr store1 < 120.999109131  and attr store1 > 120.199109131 ) or 
       bondedto (attr store1 < 73.275  and attr store1 > 72.475 ) or 
       bondedto (attr store1 < 25.5508908686  and attr store1 > 24.7508908686 ))) 
6 0.1 0.1 peak 2006 volume 14.72947 ppm1 0.912 ppm2 9.186
 
! ############### c13noe.2007 folded +
assi (attr store1 < 8.515 and attr store1 > 8.415 )
     ((attr store1 < 0.944 and attr store1 > 0.884 ) and 
      (bondedto (attr store1 < 121.020109131  and attr store1 > 120.220109131 ) or 
       bondedto (attr store1 < 73.296  and attr store1 > 72.496 ) or 
       bondedto (attr store1 < 25.5718908686  and attr store1 > 24.7718908686 ))) 
6 0.1 0.1 peak 2007 volume 28.85667 ppm1 0.914 ppm2 8.465
 
! ############### c13noe.2008 folded +
assi (attr store1 < 7.678 and attr store1 > 7.578 )
     ((attr store1 < 0.943 and attr store1 > 0.883 ) and 
      (bondedto (attr store1 < 121.004109131  and attr store1 > 120.204109131 ) or 
       bondedto (attr store1 < 73.28  and attr store1 > 72.48 ) or 
       bondedto (attr store1 < 25.5558908686  and attr store1 > 24.7558908686 ))) 
6 0.1 0.1 peak 2008 volume 12.41796 ppm1 0.913 ppm2 7.628
 
! ############### c13noe.2009 folded +
assi (attr store1 < 7.319 and attr store1 > 7.219 )
     ((attr store1 < 0.942 and attr store1 > 0.882 ) and 
      (bondedto (attr store1 < 121.004109131  and attr store1 > 120.204109131 ) or 
       bondedto (attr store1 < 73.28  and attr store1 > 72.48 ) or 
       bondedto (attr store1 < 25.5558908686  and attr store1 > 24.7558908686 ))) 
6 0.1 0.1 peak 2009 volume 22.47886 ppm1 0.912 ppm2 7.269
 
! ############### c13noe.2010 folded +
assi (attr store1 < 7.811 and attr store1 > 7.711 )
     ((attr store1 < 0.937 and attr store1 > 0.877 ) and 
      (bondedto (attr store1 < 120.990109131  and attr store1 > 120.190109131 ) or 
       bondedto (attr store1 < 73.266  and attr store1 > 72.466 ) or 
       bondedto (attr store1 < 25.5418908686  and attr store1 > 24.7418908686 ))) 
6 0.1 0.1 peak 2010 volume 24.06669 ppm1 0.907 ppm2 7.761
 
! ############### c13noe.2011 folded +
assi (attr store1 < 7.027 and attr store1 > 6.927 )
     ((attr store1 < 0.937 and attr store1 > 0.877 ) and 
      (bondedto (attr store1 < 120.985109131  and attr store1 > 120.185109131 ) or 
       bondedto (attr store1 < 73.261  and attr store1 > 72.461 ) or 
       bondedto (attr store1 < 25.5368908686  and attr store1 > 24.7368908686 ))) 
6 0.1 0.1 peak 2011 volume 9.80819 ppm1 0.907 ppm2 6.977
 
! ############### c13noe.2012 folded +
assi (attr store1 < 7.864 and attr store1 > 7.764 )
     ((attr store1 < 0.74 and attr store1 > 0.68 ) and 
      (bondedto (attr store1 < 121.033109131  and attr store1 > 120.233109131 ) or 
       bondedto (attr store1 < 73.309  and attr store1 > 72.509 ) or 
       bondedto (attr store1 < 25.5848908686  and attr store1 > 24.7848908686 ))) 
6 0.1 0.1 peak 2012 volume 13.23520 ppm1 0.710 ppm2 7.814
 
! ############### c13noe.2013 folded +
assi (attr store1 < 7.409 and attr store1 > 7.309 )
     ((attr store1 < 0.741 and attr store1 > 0.681 ) and 
      (bondedto (attr store1 < 121.046109131  and attr store1 > 120.246109131 ) or 
       bondedto (attr store1 < 73.322  and attr store1 > 72.522 ) or 
       bondedto (attr store1 < 25.5978908686  and attr store1 > 24.7978908686 ))) 
6 0.1 0.1 peak 2013 volume 17.61562 ppm1 0.711 ppm2 7.359
 
! ############### c13noe.2014 folded +
assi (attr store1 < 6.98 and attr store1 > 6.88 )
     ((attr store1 < 0.741 and attr store1 > 0.681 ) and 
      (bondedto (attr store1 < 121.026109131  and attr store1 > 120.226109131 ) or 
       bondedto (attr store1 < 73.302  and attr store1 > 72.502 ) or 
       bondedto (attr store1 < 25.5778908686  and attr store1 > 24.7778908686 ))) 
6 0.1 0.1 peak 2014 volume 9.20821 ppm1 0.711 ppm2 6.930
 
! ############### c13noe.2015 folded +
assi (attr store1 < 6.817 and attr store1 > 6.717 )
     ((attr store1 < 0.742 and attr store1 > 0.682 ) and 
      (bondedto (attr store1 < 121.045109131  and attr store1 > 120.245109131 ) or 
       bondedto (attr store1 < 73.321  and attr store1 > 72.521 ) or 
       bondedto (attr store1 < 25.5968908686  and attr store1 > 24.7968908686 ))) 
6 0.1 0.1 peak 2015 volume 17.25867 ppm1 0.712 ppm2 6.767
 
! ############### c13noe.2016 folded +
assi (attr store1 < 6.583 and attr store1 > 6.483 )
     ((attr store1 < 0.742 and attr store1 > 0.682 ) and 
      (bondedto (attr store1 < 121.057109131  and attr store1 > 120.257109131 ) or 
       bondedto (attr store1 < 73.333  and attr store1 > 72.533 ) or 
       bondedto (attr store1 < 25.6088908686  and attr store1 > 24.8088908686 ))) 
6 0.1 0.1 peak 2016 volume 26.64223 ppm1 0.712 ppm2 6.533
 
! ############### c13noe.2017 folded +
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 0.741 and attr store1 > 0.681 ) and 
      (bondedto (attr store1 < 121.029109131  and attr store1 > 120.229109131 ) or 
       bondedto (attr store1 < 73.305  and attr store1 > 72.505 ) or 
       bondedto (attr store1 < 25.5808908686  and attr store1 > 24.7808908686 ))) 
6 0.1 0.1 peak 2017 volume 16.15291 ppm1 0.711 ppm2 4.686
 
! ############### c13noe.2018 folded +
assi (attr store1 < 4.32 and attr store1 > 4.22 )
     ((attr store1 < 0.741 and attr store1 > 0.681 ) and 
      (bondedto (attr store1 < 121.051109131  and attr store1 > 120.251109131 ) or 
       bondedto (attr store1 < 73.327  and attr store1 > 72.527 ) or 
       bondedto (attr store1 < 25.6028908686  and attr store1 > 24.8028908686 ))) 
6 0.1 0.1 peak 2018 volume 20.44808 ppm1 0.711 ppm2 4.270
 
! ############### c13noe.2019 folded +
assi (attr store1 < 4.15 and attr store1 > 4.05 )
     ((attr store1 < 0.739 and attr store1 > 0.679 ) and 
      (bondedto (attr store1 < 121.071109131  and attr store1 > 120.271109131 ) or 
       bondedto (attr store1 < 73.347  and attr store1 > 72.547 ) or 
       bondedto (attr store1 < 25.6228908686  and attr store1 > 24.8228908686 ))) 
6 0.1 0.1 peak 2019 volume 7.98000 ppm1 0.709 ppm2 4.100
 
! ############### c13noe.2020 folded +
assi (attr store1 < 8.99 and attr store1 > 8.89 )
     ((attr store1 < 1.118 and attr store1 > 1.058 ) and 
      (bondedto (attr store1 < 120.964109131  and attr store1 > 120.164109131 ) or 
       bondedto (attr store1 < 73.24  and attr store1 > 72.44 ) or 
       bondedto (attr store1 < 25.5158908686  and attr store1 > 24.7158908686 ))) 
6 0.1 0.1 peak 2020 volume 30.29032 ppm1 1.088 ppm2 8.940
 
! ############### c13noe.2021 folded +
assi (attr store1 < 3.689 and attr store1 > 3.589 )
     ((attr store1 < 1.117 and attr store1 > 1.057 ) and 
      (bondedto (attr store1 < 120.970109131  and attr store1 > 120.170109131 ) or 
       bondedto (attr store1 < 73.246  and attr store1 > 72.446 ) or 
       bondedto (attr store1 < 25.5218908686  and attr store1 > 24.7218908686 ))) 
6 0.1 0.1 peak 2021 volume 37.84384 ppm1 1.087 ppm2 3.639
 
! ############### c13noe.2022 folded +
assi (attr store1 < 2.434 and attr store1 > 2.334 )
     ((attr store1 < 1.117 and attr store1 > 1.057 ) and 
      (bondedto (attr store1 < 120.951109131  and attr store1 > 120.151109131 ) or 
       bondedto (attr store1 < 73.227  and attr store1 > 72.427 ) or 
       bondedto (attr store1 < 25.5028908686  and attr store1 > 24.7028908686 ))) 
6 0.1 0.1 peak 2022 volume 20.52825 ppm1 1.087 ppm2 2.384
 
! ############### c13noe.2023 folded +
assi (attr store1 < 2.228 and attr store1 > 2.128 )
     ((attr store1 < 1.117 and attr store1 > 1.057 ) and 
      (bondedto (attr store1 < 120.975109131  and attr store1 > 120.175109131 ) or 
       bondedto (attr store1 < 73.251  and attr store1 > 72.451 ) or 
       bondedto (attr store1 < 25.5268908686  and attr store1 > 24.7268908686 ))) 
6 0.1 0.1 peak 2023 volume 45.29510 ppm1 1.087 ppm2 2.178
 
! ############### c13noe.2024 folded +
assi (attr store1 < 8.417 and attr store1 > 8.317 )
     ((attr store1 < 1.116 and attr store1 > 1.056 ) and 
      (bondedto (attr store1 < 120.957109131  and attr store1 > 120.157109131 ) or 
       bondedto (attr store1 < 73.233  and attr store1 > 72.433 ) or 
       bondedto (attr store1 < 25.5088908686  and attr store1 > 24.7088908686 ))) 
6 0.1 0.1 peak 2024 volume 15.89899 ppm1 1.086 ppm2 8.367
 
! ############### c13noe.2025 folded +
assi (attr store1 < 7.799 and attr store1 > 7.699 )
     ((attr store1 < 1.115 and attr store1 > 1.055 ) and 
      (bondedto (attr store1 < 120.953109131  and attr store1 > 120.153109131 ) or 
       bondedto (attr store1 < 73.229  and attr store1 > 72.429 ) or 
       bondedto (attr store1 < 25.5048908686  and attr store1 > 24.7048908686 ))) 
6 0.1 0.1 peak 2025 volume 12.21457 ppm1 1.085 ppm2 7.749
 
! ############### c13noe.2026 folded +
assi (attr store1 < 3.949 and attr store1 > 3.849 )
     ((attr store1 < 1.115 and attr store1 > 1.055 ) and 
      (bondedto (attr store1 < 120.951109131  and attr store1 > 120.151109131 ) or 
       bondedto (attr store1 < 73.227  and attr store1 > 72.427 ) or 
       bondedto (attr store1 < 25.5028908686  and attr store1 > 24.7028908686 ))) 
6 0.1 0.1 peak 2026 volume 21.36661 ppm1 1.085 ppm2 3.899
 
! ############### c13noe.2027 folded +
assi (attr store1 < 8.206 and attr store1 > 8.106 )
     ((attr store1 < 0.98 and attr store1 > 0.92 ) and 
      (bondedto (attr store1 < 120.948109131  and attr store1 > 120.148109131 ) or 
       bondedto (attr store1 < 73.224  and attr store1 > 72.424 ) or 
       bondedto (attr store1 < 25.4998908686  and attr store1 > 24.6998908686 ))) 
6 0.1 0.1 peak 2027 volume 12.92740 ppm1 0.950 ppm2 8.156
 
! ############### c13noe.2028 folded +
assi (attr store1 < 7.862 and attr store1 > 7.762 )
     ((attr store1 < 0.981 and attr store1 > 0.921 ) and 
      (bondedto (attr store1 < 120.951109131  and attr store1 > 120.151109131 ) or 
       bondedto (attr store1 < 73.227  and attr store1 > 72.427 ) or 
       bondedto (attr store1 < 25.5028908686  and attr store1 > 24.7028908686 ))) 
6 0.1 0.1 peak 2028 volume 39.60369 ppm1 0.951 ppm2 7.812
 
! ############### c13noe.2029 folded +
assi (attr store1 < 7.571 and attr store1 > 7.471 )
     ((attr store1 < 0.982 and attr store1 > 0.922 ) and 
      (bondedto (attr store1 < 120.970109131  and attr store1 > 120.170109131 ) or 
       bondedto (attr store1 < 73.246  and attr store1 > 72.446 ) or 
       bondedto (attr store1 < 25.5218908686  and attr store1 > 24.7218908686 ))) 
6 0.1 0.1 peak 2029 volume 9.21457 ppm1 0.952 ppm2 7.521
 
! ############### c13noe.2030 folded +
assi (attr store1 < 6.907 and attr store1 > 6.807 )
     ((attr store1 < 0.981 and attr store1 > 0.921 ) and 
      (bondedto (attr store1 < 120.964109131  and attr store1 > 120.164109131 ) or 
       bondedto (attr store1 < 73.24  and attr store1 > 72.44 ) or 
       bondedto (attr store1 < 25.5158908686  and attr store1 > 24.7158908686 ))) 
6 0.1 0.1 peak 2030 volume 13.96946 ppm1 0.951 ppm2 6.857
 
! ############### c13noe.2031 folded +
assi (attr store1 < 4.734 and attr store1 > 4.634 )
     ((attr store1 < 0.98 and attr store1 > 0.92 ) and 
      (bondedto (attr store1 < 120.946109131  and attr store1 > 120.146109131 ) or 
       bondedto (attr store1 < 73.222  and attr store1 > 72.422 ) or 
       bondedto (attr store1 < 25.4978908686  and attr store1 > 24.6978908686 ))) 
6 0.1 0.1 peak 2031 volume 12.01504 ppm1 0.950 ppm2 4.684
 
! ############### c13noe.2032 folded +
assi (attr store1 < 4.573 and attr store1 > 4.473 )
     ((attr store1 < 0.981 and attr store1 > 0.921 ) and 
      (bondedto (attr store1 < 120.976109131  and attr store1 > 120.176109131 ) or 
       bondedto (attr store1 < 73.252  and attr store1 > 72.452 ) or 
       bondedto (attr store1 < 25.5278908686  and attr store1 > 24.7278908686 ))) 
6 0.1 0.1 peak 2032 volume 11.15901 ppm1 0.951 ppm2 4.523
 
! ############### c13noe.2033 folded +
assi (attr store1 < 8.836 and attr store1 > 8.736 )
     ((attr store1 < 0.979 and attr store1 > 0.919 ) and 
      (bondedto (attr store1 < 120.937109131  and attr store1 > 120.137109131 ) or 
       bondedto (attr store1 < 73.213  and attr store1 > 72.413 ) or 
       bondedto (attr store1 < 25.4888908686  and attr store1 > 24.6888908686 ))) 
6 0.1 0.1 peak 2033 volume 8.07259 ppm1 0.949 ppm2 8.786
 
! ############### c13noe.2034 folded +
assi (attr store1 < 8.408 and attr store1 > 8.308 )
     ((attr store1 < 0.943 and attr store1 > 0.883 ) and 
      (bondedto (attr store1 < 120.933109131  and attr store1 > 120.133109131 ) or 
       bondedto (attr store1 < 73.209  and attr store1 > 72.409 ) or 
       bondedto (attr store1 < 25.4848908686  and attr store1 > 24.6848908686 ))) 
6 0.1 0.1 peak 2034 volume 8.57392 ppm1 0.913 ppm2 8.358
 
! ############### c13noe.2035 folded +
assi (attr store1 < 8.759 and attr store1 > 8.659 )
     ((attr store1 < 0.939 and attr store1 > 0.879 ) and 
      (bondedto (attr store1 < 120.955109131  and attr store1 > 120.155109131 ) or 
       bondedto (attr store1 < 73.231  and attr store1 > 72.431 ) or 
       bondedto (attr store1 < 25.5068908686  and attr store1 > 24.7068908686 ))) 
6 0.1 0.1 peak 2035 volume 9.68431 ppm1 0.909 ppm2 8.709
 
! ############### c13noe.2036 folded +
assi (attr store1 < 8.606 and attr store1 > 8.506 )
     ((attr store1 < 0.937 and attr store1 > 0.877 ) and 
      (bondedto (attr store1 < 120.931109131  and attr store1 > 120.131109131 ) or 
       bondedto (attr store1 < 73.207  and attr store1 > 72.407 ) or 
       bondedto (attr store1 < 25.4828908686  and attr store1 > 24.6828908686 ))) 
6 0.1 0.1 peak 2036 volume 8.16950 ppm1 0.907 ppm2 8.556
 
! ############### c13noe.2037 folded +
assi (attr store1 < 8.381 and attr store1 > 8.281 )
     ((attr store1 < 0.939 and attr store1 > 0.879 ) and 
      (bondedto (attr store1 < 120.951109131  and attr store1 > 120.151109131 ) or 
       bondedto (attr store1 < 73.227  and attr store1 > 72.427 ) or 
       bondedto (attr store1 < 25.5028908686  and attr store1 > 24.7028908686 ))) 
6 0.1 0.1 peak 2037 volume 9.20700 ppm1 0.909 ppm2 8.331
 
! ############### c13noe.2038 folded +
assi (attr store1 < 4.73 and attr store1 > 4.63 )
     ((attr store1 < 0.938 and attr store1 > 0.878 ) and 
      (bondedto (attr store1 < 120.972109131  and attr store1 > 120.172109131 ) or 
       bondedto (attr store1 < 73.248  and attr store1 > 72.448 ) or 
       bondedto (attr store1 < 25.5238908686  and attr store1 > 24.7238908686 ))) 
6 0.1 0.1 peak 2038 volume 35.77394 ppm1 0.908 ppm2 4.680
 
! ############### c13noe.2039 folded +
assi (attr store1 < 8.025 and attr store1 > 7.925 )
     ((attr store1 < 0.933 and attr store1 > 0.873 ) and 
      (bondedto (attr store1 < 120.964109131  and attr store1 > 120.164109131 ) or 
       bondedto (attr store1 < 73.24  and attr store1 > 72.44 ) or 
       bondedto (attr store1 < 25.5158908686  and attr store1 > 24.7158908686 ))) 
6 0.1 0.1 peak 2039 volume 10.94373 ppm1 0.903 ppm2 7.975
 
! ############### c13noe.2040 folded -
assi (attr store1 < 1.238 and attr store1 > 1.138 )
     ((attr store1 < 1.477 and attr store1 > 1.417 ) and 
      (bondedto (attr store1 < 97.1010545657  and attr store1 > 96.3010545657 ) or 
       bondedto (attr store1 < 144.825163697  and attr store1 > 144.025163697) or 
       bondedto (attr store1 < 49.3769454343  and attr store1 > 48.5769454343 ))) 
6 0.1 0.1 peak 2040 volume 19.84748 ppm1 1.447 ppm2 1.188
 
! ############### c13noe.2041 folded -
assi (attr store1 < 1.504 and attr store1 > 1.404 )
     ((attr store1 < 1.23 and attr store1 > 1.17 ) and 
      (bondedto (attr store1 < 97.1160545657  and attr store1 > 96.3160545657 ) or 
       bondedto (attr store1 < 144.840163697  and attr store1 > 144.040163697) or 
       bondedto (attr store1 < 49.3919454343  and attr store1 > 48.5919454343 ))) 
6 0.1 0.1 peak 2041 volume 18.91179 ppm1 1.200 ppm2 1.454
 
! ############### c13noe.2042 folded +
assi (attr store1 < 1.942 and attr store1 > 1.842 )
     ((attr store1 < 3.67 and attr store1 > 3.61 ) and 
      (bondedto (attr store1 < 120.731109131  and attr store1 > 119.931109131 ) or 
       bondedto (attr store1 < 73.007  and attr store1 > 72.207 ) or 
       bondedto (attr store1 < 25.2828908686  and attr store1 > 24.4828908686 ))) 
6 0.1 0.1 peak 2042 volume 8.36875 ppm1 3.640 ppm2 1.892
 
! ############### c13noe.2043 folded +
assi (attr store1 < 1.941 and attr store1 > 1.841 )
     ((attr store1 < 3.581 and attr store1 > 3.521 ) and 
      (bondedto (attr store1 < 120.757109131  and attr store1 > 119.957109131 ) or 
       bondedto (attr store1 < 73.033  and attr store1 > 72.233 ) or 
       bondedto (attr store1 < 25.3088908686  and attr store1 > 24.5088908686 ))) 
6 0.1 0.1 peak 2043 volume 10.66777 ppm1 3.551 ppm2 1.891
 
! ############### c13noe.2044 folded +
assi (attr store1 < 2.257 and attr store1 > 2.157 )
     ((attr store1 < 2.321 and attr store1 > 2.261 ) and 
      (bondedto (attr store1 < 120.739109131  and attr store1 > 119.939109131 ) or 
       bondedto (attr store1 < 73.015  and attr store1 > 72.215 ) or 
       bondedto (attr store1 < 25.2908908686  and attr store1 > 24.4908908686 ))) 
6 0.1 0.1 peak 2044 volume 24.40499 ppm1 2.291 ppm2 2.207
 
! ############### c13noe.2045 folded +
assi (attr store1 < 1.944 and attr store1 > 1.844 )
     ((attr store1 < 2.023 and attr store1 > 1.963 ) and 
      (bondedto (attr store1 < 120.715109131  and attr store1 > 119.915109131 ) or 
       bondedto (attr store1 < 72.991  and attr store1 > 72.191 ) or 
       bondedto (attr store1 < 25.2668908686  and attr store1 > 24.4668908686 ))) 
6 0.1 0.1 peak 2045 volume 83.80119 ppm1 1.993 ppm2 1.894
 
! ############### c13noe.2046 folded +
assi (attr store1 < 2.035 and attr store1 > 1.935 )
     ((attr store1 < 1.92 and attr store1 > 1.86 ) and 
      (bondedto (attr store1 < 120.723109131  and attr store1 > 119.923109131 ) or 
       bondedto (attr store1 < 72.999  and attr store1 > 72.199 ) or 
       bondedto (attr store1 < 25.2748908686  and attr store1 > 24.4748908686 ))) 
6 0.1 0.1 peak 2046 volume 73.42313 ppm1 1.890 ppm2 1.985
 
! ############### c13noe.2047 folded +
assi (attr store1 < 8.411 and attr store1 > 8.311 )
     ((attr store1 < 0.977 and attr store1 > 0.917 ) and 
      (bondedto (attr store1 < 120.737109131  and attr store1 > 119.937109131 ) or 
       bondedto (attr store1 < 73.013  and attr store1 > 72.213 ) or 
       bondedto (attr store1 < 25.2888908686  and attr store1 > 24.4888908686 ))) 
6 0.1 0.1 peak 2047 volume 17.91425 ppm1 0.947 ppm2 8.361
 
! ############### c13noe.2048 folded +
assi (attr store1 < 8.353 and attr store1 > 8.253 )
     ((attr store1 < 0.977 and attr store1 > 0.917 ) and 
      (bondedto (attr store1 < 120.732109131  and attr store1 > 119.932109131 ) or 
       bondedto (attr store1 < 73.008  and attr store1 > 72.208 ) or 
       bondedto (attr store1 < 25.2838908686  and attr store1 > 24.4838908686 ))) 
6 0.1 0.1 peak 2048 volume 17.04643 ppm1 0.947 ppm2 8.303
 
! ############### c13noe.2049 folded +
assi (attr store1 < 8.244 and attr store1 > 8.144 )
     ((attr store1 < 0.976 and attr store1 > 0.916 ) and 
      (bondedto (attr store1 < 120.770109131  and attr store1 > 119.970109131 ) or 
       bondedto (attr store1 < 73.046  and attr store1 > 72.246 ) or 
       bondedto (attr store1 < 25.3218908686  and attr store1 > 24.5218908686 ))) 
6 0.1 0.1 peak 2049 volume 11.60046 ppm1 0.946 ppm2 8.194
 
! ############### c13noe.2050 folded +
assi (attr store1 < 7.779 and attr store1 > 7.679 )
     ((attr store1 < 0.977 and attr store1 > 0.917 ) and 
      (bondedto (attr store1 < 120.750109131  and attr store1 > 119.950109131 ) or 
       bondedto (attr store1 < 73.026  and attr store1 > 72.226 ) or 
       bondedto (attr store1 < 25.3018908686  and attr store1 > 24.5018908686 ))) 
6 0.1 0.1 peak 2050 volume 23.83810 ppm1 0.947 ppm2 7.729
 
! ############### c13noe.2051 folded +
assi (attr store1 < 4.059 and attr store1 > 3.959 )
     ((attr store1 < 0.977 and attr store1 > 0.917 ) and 
      (bondedto (attr store1 < 120.748109131  and attr store1 > 119.948109131 ) or 
       bondedto (attr store1 < 73.024  and attr store1 > 72.224 ) or 
       bondedto (attr store1 < 25.2998908686  and attr store1 > 24.4998908686 ))) 
6 0.1 0.1 peak 2051 volume 67.59055 ppm1 0.947 ppm2 4.009
 
! ############### c13noe.2052 folded +
assi (attr store1 < 3.917 and attr store1 > 3.817 )
     ((attr store1 < 0.979 and attr store1 > 0.919 ) and 
      (bondedto (attr store1 < 120.748109131  and attr store1 > 119.948109131 ) or 
       bondedto (attr store1 < 73.024  and attr store1 > 72.224 ) or 
       bondedto (attr store1 < 25.2998908686  and attr store1 > 24.4998908686 ))) 
6 0.1 0.1 peak 2052 volume 24.15026 ppm1 0.949 ppm2 3.867
 
! ############### c13noe.2053 folded +
assi (attr store1 < 3.615 and attr store1 > 3.515 )
     ((attr store1 < 0.977 and attr store1 > 0.917 ) and 
      (bondedto (attr store1 < 120.730109131  and attr store1 > 119.930109131 ) or 
       bondedto (attr store1 < 73.006  and attr store1 > 72.206 ) or 
       bondedto (attr store1 < 25.2818908686  and attr store1 > 24.4818908686 ))) 
6 0.1 0.1 peak 2053 volume 20.78482 ppm1 0.947 ppm2 3.565
 
! ############### c13noe.2054 folded -
assi (attr store1 < 3.213 and attr store1 > 3.113 )
     ((attr store1 < 3.289 and attr store1 > 3.229 ) and 
      (bondedto (attr store1 < 96.8620545657  and attr store1 > 96.0620545657 ) or 
       bondedto (attr store1 < 144.586163697  and attr store1 > 143.786163697) or 
       bondedto (attr store1 < 49.1379454343  and attr store1 > 48.3379454343 ))) 
6 0.1 0.1 peak 2054 volume 22.11075 ppm1 3.259 ppm2 3.163
 
! ############### c13noe.2055 folded +
assi (attr store1 < 2.042 and attr store1 > 1.942 )
     ((attr store1 < 3.581 and attr store1 > 3.521 ) and 
      (bondedto (attr store1 < 120.697109131  and attr store1 > 119.897109131 ) or 
       bondedto (attr store1 < 72.973  and attr store1 > 72.173 ) or 
       bondedto (attr store1 < 25.2488908686  and attr store1 > 24.4488908686 ))) 
6 0.1 0.1 peak 2055 volume 8.77788 ppm1 3.551 ppm2 1.992
 
! ############### c13noe.2056 folded +
assi (attr store1 < 2.009 and attr store1 > 1.909 )
     ((attr store1 < 1.811 and attr store1 > 1.751 ) and 
      (bondedto (attr store1 < 120.636109131  and attr store1 > 119.836109131 ) or 
       bondedto (attr store1 < 72.912  and attr store1 > 72.112 ) or 
       bondedto (attr store1 < 25.1878908686  and attr store1 > 24.3878908686 ))) 
6 0.1 0.1 peak 2056 volume 27.63463 ppm1 1.781 ppm2 1.959
 
! ############### c13noe.2057 folded +
assi (attr store1 < 2.08 and attr store1 > 1.98 )
     ((attr store1 < 1.484 and attr store1 > 1.424 ) and 
      (bondedto (attr store1 < 120.685109131  and attr store1 > 119.885109131 ) or 
       bondedto (attr store1 < 72.961  and attr store1 > 72.161 ) or 
       bondedto (attr store1 < 25.2368908686  and attr store1 > 24.4368908686 ))) 
6 0.1 0.1 peak 2057 volume 15.05536 ppm1 1.454 ppm2 2.030
 
! ############### c13noe.2058 folded +
assi (attr store1 < 8.678 and attr store1 > 8.578 )
     ((attr store1 < 1.091 and attr store1 > 1.031 ) and 
      (bondedto (attr store1 < 120.650109131  and attr store1 > 119.850109131 ) or 
       bondedto (attr store1 < 72.926  and attr store1 > 72.126 ) or 
       bondedto (attr store1 < 25.2018908686  and attr store1 > 24.4018908686 ))) 
6 0.1 0.1 peak 2058 volume 8.52803 ppm1 1.061 ppm2 8.628
 
! ############### c13noe.2059 folded +
assi (attr store1 < 7.982 and attr store1 > 7.882 )
     ((attr store1 < 1.091 and attr store1 > 1.031 ) and 
      (bondedto (attr store1 < 120.617109131  and attr store1 > 119.817109131 ) or 
       bondedto (attr store1 < 72.893  and attr store1 > 72.093 ) or 
       bondedto (attr store1 < 25.1688908686  and attr store1 > 24.3688908686 ))) 
6 0.1 0.1 peak 2059 volume 10.66604 ppm1 1.061 ppm2 7.932
 
! ############### c13noe.2060 folded +
assi (attr store1 < 4.399 and attr store1 > 4.299 )
     ((attr store1 < 1.093 and attr store1 > 1.033 ) and 
      (bondedto (attr store1 < 120.651109131  and attr store1 > 119.851109131 ) or 
       bondedto (attr store1 < 72.927  and attr store1 > 72.127 ) or 
       bondedto (attr store1 < 25.2028908686  and attr store1 > 24.4028908686 ))) 
6 0.1 0.1 peak 2060 volume 9.06999 ppm1 1.063 ppm2 4.349
 
! ############### c13noe.2061 folded +
assi (attr store1 < 4.092 and attr store1 > 3.992 )
     ((attr store1 < 1.092 and attr store1 > 1.032 ) and 
      (bondedto (attr store1 < 120.634109131  and attr store1 > 119.834109131 ) or 
       bondedto (attr store1 < 72.91  and attr store1 > 72.11 ) or 
       bondedto (attr store1 < 25.1858908686  and attr store1 > 24.3858908686 ))) 
6 0.1 0.1 peak 2061 volume 28.95944 ppm1 1.062 ppm2 4.042
 
! ############### c13noe.2062 folded +
assi (attr store1 < 3.997 and attr store1 > 3.897 )
     ((attr store1 < 1.091 and attr store1 > 1.031 ) and 
      (bondedto (attr store1 < 120.623109131  and attr store1 > 119.823109131 ) or 
       bondedto (attr store1 < 72.899  and attr store1 > 72.099 ) or 
       bondedto (attr store1 < 25.1748908686  and attr store1 > 24.3748908686 ))) 
6 0.1 0.1 peak 2062 volume 52.57800 ppm1 1.061 ppm2 3.947
 
! ############### c13noe.2063 folded +
assi (attr store1 < 3.842 and attr store1 > 3.742 )
     ((attr store1 < 0.982 and attr store1 > 0.922 ) and 
      (bondedto (attr store1 < 120.693109131  and attr store1 > 119.893109131 ) or 
       bondedto (attr store1 < 72.969  and attr store1 > 72.169 ) or 
       bondedto (attr store1 < 25.2448908686  and attr store1 > 24.4448908686 ))) 
6 0.1 0.1 peak 2063 volume 13.63321 ppm1 0.952 ppm2 3.792
 
! ############### c13noe.2064 folded +
assi (attr store1 < 8.564 and attr store1 > 8.464 )
     ((attr store1 < 1.092 and attr store1 > 1.032 ) and 
      (bondedto (attr store1 < 120.585109131  and attr store1 > 119.785109131 ) or 
       bondedto (attr store1 < 72.861  and attr store1 > 72.061 ) or 
       bondedto (attr store1 < 25.1368908686  and attr store1 > 24.3368908686 ))) 
6 0.1 0.1 peak 2064 volume 25.88826 ppm1 1.062 ppm2 8.514
 
! ############### c13noe.2065 folded +
assi (attr store1 < 8.054 and attr store1 > 7.954 )
     ((attr store1 < 1.091 and attr store1 > 1.031 ) and 
      (bondedto (attr store1 < 120.589109131  and attr store1 > 119.789109131 ) or 
       bondedto (attr store1 < 72.865  and attr store1 > 72.065 ) or 
       bondedto (attr store1 < 25.1408908686  and attr store1 > 24.3408908686 ))) 
6 0.1 0.1 peak 2065 volume 14.28313 ppm1 1.061 ppm2 8.004
 
! ############### c13noe.2066 folded +
assi (attr store1 < 2.785 and attr store1 > 2.685 )
     ((attr store1 < 1.092 and attr store1 > 1.032 ) and 
      (bondedto (attr store1 < 120.595109131  and attr store1 > 119.795109131 ) or 
       bondedto (attr store1 < 72.871  and attr store1 > 72.071 ) or 
       bondedto (attr store1 < 25.1468908686  and attr store1 > 24.3468908686 ))) 
6 0.1 0.1 peak 2066 volume 17.86716 ppm1 1.062 ppm2 2.735
 
! ############### c13noe.2067 folded +
assi (attr store1 < 2.576 and attr store1 > 2.476 )
     ((attr store1 < 1.092 and attr store1 > 1.032 ) and 
      (bondedto (attr store1 < 120.586109131  and attr store1 > 119.786109131 ) or 
       bondedto (attr store1 < 72.862  and attr store1 > 72.062 ) or 
       bondedto (attr store1 < 25.1378908686  and attr store1 > 24.3378908686 ))) 
6 0.1 0.1 peak 2067 volume 11.43278 ppm1 1.062 ppm2 2.526
 
! ############### c13noe.2068 folded +
assi (attr store1 < 8.984 and attr store1 > 8.884 )
     ((attr store1 < 0.997 and attr store1 > 0.937 ) and 
      (bondedto (attr store1 < 120.538109131  and attr store1 > 119.738109131 ) or 
       bondedto (attr store1 < 72.814  and attr store1 > 72.014 ) or 
       bondedto (attr store1 < 25.0898908686  and attr store1 > 24.2898908686 ))) 
6 0.1 0.1 peak 2068 volume 10.74964 ppm1 0.967 ppm2 8.934
 
! ############### c13noe.2069 folded +
assi (attr store1 < 4.309 and attr store1 > 4.209 )
     ((attr store1 < 0.996 and attr store1 > 0.936 ) and 
      (bondedto (attr store1 < 120.561109131  and attr store1 > 119.761109131 ) or 
       bondedto (attr store1 < 72.837  and attr store1 > 72.037 ) or 
       bondedto (attr store1 < 25.1128908686  and attr store1 > 24.3128908686 ))) 
6 0.1 0.1 peak 2069 volume 30.75230 ppm1 0.966 ppm2 4.259
 
! ############### c13noe.2070 folded +
assi (attr store1 < 2.957 and attr store1 > 2.857 )
     ((attr store1 < 0.996 and attr store1 > 0.936 ) and 
      (bondedto (attr store1 < 120.561109131  and attr store1 > 119.761109131 ) or 
       bondedto (attr store1 < 72.837  and attr store1 > 72.037 ) or 
       bondedto (attr store1 < 25.1128908686  and attr store1 > 24.3128908686 ))) 
6 0.1 0.1 peak 2070 volume 17.26456 ppm1 0.966 ppm2 2.907
 
! ############### c13noe.2071 folded +
assi (attr store1 < 8.503 and attr store1 > 8.403 )
     ((attr store1 < 0.993 and attr store1 > 0.933 ) and 
      (bondedto (attr store1 < 120.564109131  and attr store1 > 119.764109131 ) or 
       bondedto (attr store1 < 72.84  and attr store1 > 72.04 ) or 
       bondedto (attr store1 < 25.1158908686  and attr store1 > 24.3158908686 ))) 
6 0.1 0.1 peak 2071 volume 10.69251 ppm1 0.963 ppm2 8.453
 
! ############### c13noe.2072 folded +
assi (attr store1 < 2.605 and attr store1 > 2.505 )
     ((attr store1 < 0.994 and attr store1 > 0.934 ) and 
      (bondedto (attr store1 < 120.571109131  and attr store1 > 119.771109131 ) or 
       bondedto (attr store1 < 72.847  and attr store1 > 72.047 ) or 
       bondedto (attr store1 < 25.1228908686  and attr store1 > 24.3228908686 ))) 
6 0.1 0.1 peak 2072 volume 18.12703 ppm1 0.964 ppm2 2.555
 
! ############### c13noe.2073 folded -
assi (attr store1 < 3.297 and attr store1 > 3.197 )
     ((attr store1 < 3.187 and attr store1 > 3.127 ) and 
      (bondedto (attr store1 < 96.7390545657  and attr store1 > 95.9390545657 ) or 
       bondedto (attr store1 < 144.463163697  and attr store1 > 143.663163697) or 
       bondedto (attr store1 < 49.0149454343  and attr store1 > 48.2149454343 ))) 
6 0.1 0.1 peak 2073 volume 19.92361 ppm1 3.157 ppm2 3.247
 
! ############### c13noe.2074 folded -
assi (attr store1 < 2.531 and attr store1 > 2.431 )
     ((attr store1 < 2.427 and attr store1 > 2.367 ) and 
      (bondedto (attr store1 < 96.6550545657  and attr store1 > 95.8550545657 ) or 
       bondedto (attr store1 < 144.379163697  and attr store1 > 143.579163697) or 
       bondedto (attr store1 < 48.9309454343  and attr store1 > 48.1309454343 ))) 
6 0.1 0.1 peak 2074 volume 13.91806 ppm1 2.397 ppm2 2.481
 
! ############### c13noe.2075 folded +
assi (attr store1 < 7.463 and attr store1 > 7.363 )
     ((attr store1 < 0.995 and attr store1 > 0.935 ) and 
      (bondedto (attr store1 < 120.424109131  and attr store1 > 119.624109131 ) or 
       bondedto (attr store1 < 72.7  and attr store1 > 71.9 ) or 
       bondedto (attr store1 < 24.9758908686  and attr store1 > 24.1758908686 ))) 
6 0.1 0.1 peak 2075 volume 9.59264 ppm1 0.965 ppm2 7.413
 
! ############### c13noe.2076 folded -
assi (attr store1 < 1.859 and attr store1 > 1.759 )
     ((attr store1 < 1.926 and attr store1 > 1.866 ) and 
      (bondedto (attr store1 < 96.5230545657  and attr store1 > 95.7230545657 ) or 
       bondedto (attr store1 < 144.247163697  and attr store1 > 143.447163697) or 
       bondedto (attr store1 < 48.7989454343  and attr store1 > 47.9989454343 ))) 
6 0.1 0.1 peak 2076 volume 12.78759 ppm1 1.896 ppm2 1.809
 
! ############### c13noe.2077 folded -
assi (attr store1 < 1.954 and attr store1 > 1.854 )
     ((attr store1 < 1.818 and attr store1 > 1.758 ) and 
      (bondedto (attr store1 < 96.5000545657  and attr store1 > 95.7000545657 ) or 
       bondedto (attr store1 < 144.224163697  and attr store1 > 143.424163697) or 
       bondedto (attr store1 < 48.7759454343  and attr store1 > 47.9759454343 ))) 
6 0.1 0.1 peak 2077 volume 9.14476 ppm1 1.788 ppm2 1.904
 
! ############### c13noe.2078 folded -
assi (attr store1 < 1.255 and attr store1 > 1.155 )
     ((attr store1 < 1.481 and attr store1 > 1.421 ) and 
      (bondedto (attr store1 < 96.5050545657  and attr store1 > 95.7050545657 ) or 
       bondedto (attr store1 < 144.229163697  and attr store1 > 143.429163697) or 
       bondedto (attr store1 < 48.7809454343  and attr store1 > 47.9809454343 ))) 
6 0.1 0.1 peak 2078 volume 17.85892 ppm1 1.451 ppm2 1.205
 
! ############### c13noe.2079 folded -
assi (attr store1 < 1.501 and attr store1 > 1.401 )
     ((attr store1 < 1.24 and attr store1 > 1.18 ) and 
      (bondedto (attr store1 < 96.4880545657  and attr store1 > 95.6880545657 ) or 
       bondedto (attr store1 < 144.212163697  and attr store1 > 143.412163697) or 
       bondedto (attr store1 < 48.7639454343  and attr store1 > 47.9639454343 ))) 
6 0.1 0.1 peak 2079 volume 13.89513 ppm1 1.210 ppm2 1.451
 
! ############### c13noe.2080 folded +
assi (attr store1 < 3.89 and attr store1 > 3.79 )
     ((attr store1 < 3.939 and attr store1 > 3.879 ) and 
      (bondedto (attr store1 < 120.206109131  and attr store1 > 119.406109131 ) or 
       bondedto (attr store1 < 72.482  and attr store1 > 71.682 ) or 
       bondedto (attr store1 < 24.7578908686  and attr store1 > 23.9578908686 ))) 
6 0.1 0.1 peak 2080 volume 31.85443 ppm1 3.909 ppm2 3.840
 
! ############### c13noe.2081 folded +
assi (attr store1 < 3.95 and attr store1 > 3.85 )
     ((attr store1 < 3.869 and attr store1 > 3.809 ) and 
      (bondedto (attr store1 < 120.171109131  and attr store1 > 119.371109131 ) or 
       bondedto (attr store1 < 72.447  and attr store1 > 71.647 ) or 
       bondedto (attr store1 < 24.7228908686  and attr store1 > 23.9228908686 ))) 
6 0.1 0.1 peak 2081 volume 30.92636 ppm1 3.839 ppm2 3.900
 
! ############### c13noe.2082 folded +
assi (attr store1 < 3.908 and attr store1 > 3.808 )
     ((attr store1 < 3.806 and attr store1 > 3.746 ) and 
      (bondedto (attr store1 < 120.195109131  and attr store1 > 119.395109131 ) or 
       bondedto (attr store1 < 72.471  and attr store1 > 71.671 ) or 
       bondedto (attr store1 < 24.7468908686  and attr store1 > 23.9468908686 ))) 
6 0.1 0.1 peak 2082 volume 32.51195 ppm1 3.776 ppm2 3.858
 
! ############### c13noe.2083 folded +
assi (attr store1 < 3.883 and attr store1 > 3.783 )
     ((attr store1 < 3.696 and attr store1 > 3.636 ) and 
      (bondedto (attr store1 < 120.145109131  and attr store1 > 119.345109131 ) or 
       bondedto (attr store1 < 72.421  and attr store1 > 71.621 ) or 
       bondedto (attr store1 < 24.6968908686  and attr store1 > 23.8968908686 ))) 
6 0.1 0.1 peak 2083 volume 13.33135 ppm1 3.666 ppm2 3.833
 
! ############### c13noe.2084 folded +
assi (attr store1 < 8.497 and attr store1 > 8.397 )
     ((attr store1 < 1.068 and attr store1 > 1.008 ) and 
      (bondedto (attr store1 < 120.175109131  and attr store1 > 119.375109131 ) or 
       bondedto (attr store1 < 72.451  and attr store1 > 71.651 ) or 
       bondedto (attr store1 < 24.7268908686  and attr store1 > 23.9268908686 ))) 
6 0.1 0.1 peak 2084 volume 63.10332 ppm1 1.038 ppm2 8.447
 
! ############### c13noe.2085 folded +
assi (attr store1 < 8.191 and attr store1 > 8.091 )
     ((attr store1 < 1.07 and attr store1 > 1.01 ) and 
      (bondedto (attr store1 < 120.151109131  and attr store1 > 119.351109131 ) or 
       bondedto (attr store1 < 72.427  and attr store1 > 71.627 ) or 
       bondedto (attr store1 < 24.7028908686  and attr store1 > 23.9028908686 ))) 
6 0.1 0.1 peak 2085 volume 8.01777 ppm1 1.040 ppm2 8.141
 
! ############### c13noe.2086 folded +
assi (attr store1 < 4.557 and attr store1 > 4.457 )
     ((attr store1 < 1.069 and attr store1 > 1.009 ) and 
      (bondedto (attr store1 < 120.162109131  and attr store1 > 119.362109131 ) or 
       bondedto (attr store1 < 72.438  and attr store1 > 71.638 ) or 
       bondedto (attr store1 < 24.7138908686  and attr store1 > 23.9138908686 ))) 
6 0.1 0.1 peak 2086 volume 10.46394 ppm1 1.039 ppm2 4.507
 
! ############### c13noe.2087 folded +
assi (attr store1 < 3.857 and attr store1 > 3.757 )
     ((attr store1 < 1.07 and attr store1 > 1.01 ) and 
      (bondedto (attr store1 < 120.157109131  and attr store1 > 119.357109131 ) or 
       bondedto (attr store1 < 72.433  and attr store1 > 71.633 ) or 
       bondedto (attr store1 < 24.7088908686  and attr store1 > 23.9088908686 ))) 
6 0.1 0.1 peak 2087 volume 19.16199 ppm1 1.040 ppm2 3.807
 
! ############### c13noe.2088 folded +
assi (attr store1 < 3.444 and attr store1 > 3.344 )
     ((attr store1 < 1.068 and attr store1 > 1.008 ) and 
      (bondedto (attr store1 < 120.172109131  and attr store1 > 119.372109131 ) or 
       bondedto (attr store1 < 72.448  and attr store1 > 71.648 ) or 
       bondedto (attr store1 < 24.7238908686  and attr store1 > 23.9238908686 ))) 
6 0.1 0.1 peak 2088 volume 46.52443 ppm1 1.038 ppm2 3.394
 
! ############### c13noe.2089 folded -
assi (attr store1 < 3.614 and attr store1 > 3.514 )
     ((attr store1 < 3.772 and attr store1 > 3.712 ) and 
      (bondedto (attr store1 < 96.3610545657  and attr store1 > 95.5610545657 ) or 
       bondedto (attr store1 < 144.085163697  and attr store1 > 143.285163697) or 
       bondedto (attr store1 < 48.6369454343  and attr store1 > 47.8369454343 ))) 
6 0.1 0.1 peak 2089 volume 12.20001 ppm1 3.742 ppm2 3.564
 
! ############### c13noe.2090 folded -
assi (attr store1 < 3.591 and attr store1 > 3.491 )
     ((attr store1 < 3.646 and attr store1 > 3.586 ) and 
      (bondedto (attr store1 < 96.3020545657  and attr store1 > 95.5020545657 ) or 
       bondedto (attr store1 < 144.026163697  and attr store1 > 143.226163697) or 
       bondedto (attr store1 < 48.5779454343  and attr store1 > 47.7779454343 ))) 
6 0.1 0.1 peak 2090 volume 10.0289 ppm1 3.616 ppm2 3.541
 
! ############### c13noe.2091 folded -
assi (attr store1 < 3.527 and attr store1 > 3.427 )
     ((attr store1 < 3.575 and attr store1 > 3.515 ) and 
      (bondedto (attr store1 < 96.3340545657  and attr store1 > 95.5340545657 ) or 
       bondedto (attr store1 < 144.058163697  and attr store1 > 143.258163697) or 
       bondedto (attr store1 < 48.6099454343  and attr store1 > 47.8099454343 ))) 
6 0.1 0.1 peak 2091 volume 6.11401 ppm1 3.545 ppm2 3.477
 
! ############### c13noe.2092 folded -
assi (attr store1 < 0.984 and attr store1 > 0.884 )
     ((attr store1 < 3.575 and attr store1 > 3.515 ) and 
      (bondedto (attr store1 < 96.3140545657  and attr store1 > 95.5140545657 ) or 
       bondedto (attr store1 < 144.038163697  and attr store1 > 143.238163697) or 
       bondedto (attr store1 < 48.5899454343  and attr store1 > 47.7899454343 ))) 
6 0.1 0.1 peak 2092 volume 7.71027 ppm1 3.545 ppm2 0.934
 
! ############### c13noe.2093 folded -
assi (attr store1 < 0.902 and attr store1 > 0.802 )
     ((attr store1 < 3.559 and attr store1 > 3.499 ) and 
      (bondedto (attr store1 < 96.2960545657  and attr store1 > 95.4960545657 ) or 
       bondedto (attr store1 < 144.020163697  and attr store1 > 143.220163697) or 
       bondedto (attr store1 < 48.5719454343  and attr store1 > 47.7719454343 ))) 
6 0.1 0.1 peak 2093 volume 9.55777 ppm1 3.529 ppm2 0.852
 
! ############### c13noe.2094 folded +
assi (attr store1 < 3.727 and attr store1 > 3.627 )
     ((attr store1 < 3.865 and attr store1 > 3.805 ) and 
      (bondedto (attr store1 < 120.117109131  and attr store1 > 119.317109131 ) or 
       bondedto (attr store1 < 72.393  and attr store1 > 71.593 ) or 
       bondedto (attr store1 < 24.6688908686  and attr store1 > 23.8688908686 ))) 
6 0.1 0.1 peak 2094 volume 13.10905 ppm1 3.835 ppm2 3.677
 
! ############### c13noe.2095 folded +
assi (attr store1 < 8.493 and attr store1 > 8.393 )
     ((attr store1 < 0.986 and attr store1 > 0.926 ) and 
      (bondedto (attr store1 < 120.137109131  and attr store1 > 119.337109131 ) or 
       bondedto (attr store1 < 72.413  and attr store1 > 71.613 ) or 
       bondedto (attr store1 < 24.6888908686  and attr store1 > 23.8888908686 ))) 
6 0.1 0.1 peak 2095 volume 15.53836 ppm1 0.956 ppm2 8.443
 
! ############### c13noe.2096 folded +
assi (attr store1 < 7.483 and attr store1 > 7.383 )
     ((attr store1 < 0.985 and attr store1 > 0.925 ) and 
      (bondedto (attr store1 < 120.110109131  and attr store1 > 119.310109131 ) or 
       bondedto (attr store1 < 72.386  and attr store1 > 71.586 ) or 
       bondedto (attr store1 < 24.6618908686  and attr store1 > 23.8618908686 ))) 
6 0.1 0.1 peak 2096 volume 14.71315 ppm1 0.955 ppm2 7.433
 
! ############### c13noe.2097 folded +
assi (attr store1 < 4.087 and attr store1 > 3.987 )
     ((attr store1 < 0.986 and attr store1 > 0.926 ) and 
      (bondedto (attr store1 < 120.116109131  and attr store1 > 119.316109131 ) or 
       bondedto (attr store1 < 72.392  and attr store1 > 71.592 ) or 
       bondedto (attr store1 < 24.6678908686  and attr store1 > 23.8678908686 ))) 
6 0.1 0.1 peak 2097 volume 62.98799 ppm1 0.956 ppm2 4.037
 
! ############### c13noe.2098 folded +
assi (attr store1 < 8.005 and attr store1 > 7.905 )
     ((attr store1 < 0.983 and attr store1 > 0.923 ) and 
      (bondedto (attr store1 < 120.107109131  and attr store1 > 119.307109131 ) or 
       bondedto (attr store1 < 72.383  and attr store1 > 71.583 ) or 
       bondedto (attr store1 < 24.6588908686  and attr store1 > 23.8588908686 ))) 
6 0.1 0.1 peak 2098 volume 21.58932 ppm1 0.953 ppm2 7.955
 
! ############### c13noe.2099 folded +
assi (attr store1 < 6.836 and attr store1 > 6.736 )
     ((attr store1 < 0.982 and attr store1 > 0.922 ) and 
      (bondedto (attr store1 < 120.095109131  and attr store1 > 119.295109131 ) or 
       bondedto (attr store1 < 72.371  and attr store1 > 71.571 ) or 
       bondedto (attr store1 < 24.6468908686  and attr store1 > 23.8468908686 ))) 
6 0.1 0.1 peak 2099 volume 12.46875 ppm1 0.952 ppm2 6.786
 
! ############### c13noe.2100 folded +
assi (attr store1 < 3.973 and attr store1 > 3.873 )
     ((attr store1 < 0.983 and attr store1 > 0.923 ) and 
      (bondedto (attr store1 < 120.106109131  and attr store1 > 119.306109131 ) or 
       bondedto (attr store1 < 72.382  and attr store1 > 71.582 ) or 
       bondedto (attr store1 < 24.6578908686  and attr store1 > 23.8578908686 ))) 
6 0.1 0.1 peak 2100 volume 74.81762 ppm1 0.953 ppm2 3.923
 
! ############### c13noe.2101 folded +
assi (attr store1 < 3.818 and attr store1 > 3.718 )
     ((attr store1 < 0.983 and attr store1 > 0.923 ) and 
      (bondedto (attr store1 < 120.099109131  and attr store1 > 119.299109131 ) or 
       bondedto (attr store1 < 72.375  and attr store1 > 71.575 ) or 
       bondedto (attr store1 < 24.6508908686  and attr store1 > 23.8508908686 ))) 
6 0.1 0.1 peak 2101 volume 26.82370 ppm1 0.953 ppm2 3.768
 
! ############### c13noe.2102 folded -
assi (attr store1 < 0.994 and attr store1 > 0.894 )
     ((attr store1 < 3.752 and attr store1 > 3.692 ) and 
      (bondedto (attr store1 < 96.2560545657  and attr store1 > 95.4560545657 ) or 
       bondedto (attr store1 < 143.980163697  and attr store1 > 143.180163697) or 
       bondedto (attr store1 < 48.5319454343  and attr store1 > 47.7319454343 ))) 
6 0.1 0.1 peak 2102 volume 11.16464 ppm1 3.722 ppm2 0.944
 
! ############### c13noe.2103 folded -
assi (attr store1 < 0.924 and attr store1 > 0.824 )
     ((attr store1 < 3.752 and attr store1 > 3.692 ) and 
      (bondedto (attr store1 < 96.2640545657  and attr store1 > 95.4640545657 ) or 
       bondedto (attr store1 < 143.988163697  and attr store1 > 143.188163697) or 
       bondedto (attr store1 < 48.5399454343  and attr store1 > 47.7399454343 ))) 
6 0.1 0.1 peak 2103 volume 11.18129 ppm1 3.722 ppm2 0.874
 
! ############### c13noe.2104 folded -
assi (attr store1 < 0.983 and attr store1 > 0.883 )
     ((attr store1 < 3.584 and attr store1 > 3.524 ) and 
      (bondedto (attr store1 < 96.2550545657  and attr store1 > 95.4550545657 ) or 
       bondedto (attr store1 < 143.979163697  and attr store1 > 143.179163697) or 
       bondedto (attr store1 < 48.5309454343  and attr store1 > 47.7309454343 ))) 
6 0.1 0.1 peak 2104 volume 7.55681 ppm1 3.554 ppm2 0.933
 
! ############### c13noe.2105 folded -
assi (attr store1 < 0.906 and attr store1 > 0.806 )
     ((attr store1 < 3.584 and attr store1 > 3.524 ) and 
      (bondedto (attr store1 < 96.2560545657  and attr store1 > 95.4560545657 ) or 
       bondedto (attr store1 < 143.980163697  and attr store1 > 143.180163697) or 
       bondedto (attr store1 < 48.5319454343  and attr store1 > 47.7319454343 ))) 
6 0.1 0.1 peak 2105 volume 10.61502 ppm1 3.554 ppm2 0.856
 
! ############### c13noe.2106 folded -
assi (attr store1 < 3.771 and attr store1 > 3.671 )
     ((attr store1 < 3.579 and attr store1 > 3.519 ) and 
      (bondedto (attr store1 < 96.2760545657  and attr store1 > 95.4760545657 ) or 
       bondedto (attr store1 < 144.000163697  and attr store1 > 143.200163697) or 
       bondedto (attr store1 < 48.5519454343  and attr store1 > 47.7519454343 ))) 
6 0.1 0.1 peak 2106 volume 12.05566 ppm1 3.549 ppm2 3.721
 
! ############### c13noe.2107 folded +
assi (attr store1 < 1.955 and attr store1 > 1.855 )
     ((attr store1 < 1.829 and attr store1 > 1.769 ) and 
      (bondedto (attr store1 < 119.878109131  and attr store1 > 119.078109131 ) or 
       bondedto (attr store1 < 72.154  and attr store1 > 71.354 ) or 
       bondedto (attr store1 < 24.4298908686  and attr store1 > 23.6298908686 ))) 
6 0.1 0.1 peak 2107 volume 22.20362 ppm1 1.799 ppm2 1.905
 
! ############### c13noe.2108 folded +
assi (attr store1 < 8.468 and attr store1 > 8.368 )
     ((attr store1 < 1.152 and attr store1 > 1.092 ) and 
      (bondedto (attr store1 < 119.883109131  and attr store1 > 119.083109131 ) or 
       bondedto (attr store1 < 72.159  and attr store1 > 71.359 ) or 
       bondedto (attr store1 < 24.4348908686  and attr store1 > 23.6348908686 ))) 
6 0.1 0.1 peak 2108 volume 50.77556 ppm1 1.122 ppm2 8.418
 
! ############### c13noe.2109 folded +
assi (attr store1 < 7.985 and attr store1 > 7.885 )
     ((attr store1 < 1.152 and attr store1 > 1.092 ) and 
      (bondedto (attr store1 < 119.886109131  and attr store1 > 119.086109131 ) or 
       bondedto (attr store1 < 72.162  and attr store1 > 71.362 ) or 
       bondedto (attr store1 < 24.4378908686  and attr store1 > 23.6378908686 ))) 
6 0.1 0.1 peak 2109 volume 8.75455 ppm1 1.122 ppm2 7.935
 
! ############### c13noe.2110 folded +
assi (attr store1 < 8.864 and attr store1 > 8.764 )
     ((attr store1 < 1.043 and attr store1 > 0.983 ) and 
      (bondedto (attr store1 < 119.875109131  and attr store1 > 119.075109131 ) or 
       bondedto (attr store1 < 72.151  and attr store1 > 71.351 ) or 
       bondedto (attr store1 < 24.4268908686  and attr store1 > 23.6268908686 ))) 
6 0.1 0.1 peak 2110 volume 12.09032 ppm1 1.013 ppm2 8.814
 
! ############### c13noe.2111 folded +
assi (attr store1 < 8.267 and attr store1 > 8.167 )
     ((attr store1 < 1.042 and attr store1 > 0.982 ) and 
      (bondedto (attr store1 < 119.890109131  and attr store1 > 119.090109131 ) or 
       bondedto (attr store1 < 72.166  and attr store1 > 71.366 ) or 
       bondedto (attr store1 < 24.4418908686  and attr store1 > 23.6418908686 ))) 
6 0.1 0.1 peak 2111 volume 42.16065 ppm1 1.012 ppm2 8.217
 
! ############### c13noe.2112 folded +
assi (attr store1 < 8.563 and attr store1 > 8.463 )
     ((attr store1 < 1.035 and attr store1 > 0.975 ) and 
      (bondedto (attr store1 < 119.915109131  and attr store1 > 119.115109131 ) or 
       bondedto (attr store1 < 72.191  and attr store1 > 71.391 ) or 
       bondedto (attr store1 < 24.4668908686  and attr store1 > 23.6668908686 ))) 
6 0.1 0.1 peak 2112 volume 7.33070 ppm1 1.005 ppm2 8.513
 
! ############### c13noe.2113 folded +
assi (attr store1 < 8.757 and attr store1 > 8.657 )
     ((attr store1 < 0.969 and attr store1 > 0.909 ) and 
      (bondedto (attr store1 < 119.893109131  and attr store1 > 119.093109131 ) or 
       bondedto (attr store1 < 72.169  and attr store1 > 71.369 ) or 
       bondedto (attr store1 < 24.4448908686  and attr store1 > 23.6448908686 ))) 
6 0.1 0.1 peak 2113 volume 9.11821 ppm1 0.939 ppm2 8.707
 
! ############### c13noe.2114 folded +
assi (attr store1 < 8.368 and attr store1 > 8.268 )
     ((attr store1 < 0.972 and attr store1 > 0.912 ) and 
      (bondedto (attr store1 < 119.930109131  and attr store1 > 119.130109131 ) or 
       bondedto (attr store1 < 72.206  and attr store1 > 71.406 ) or 
       bondedto (attr store1 < 24.4818908686  and attr store1 > 23.6818908686 ))) 
6 0.1 0.1 peak 2114 volume 9.78676 ppm1 0.942 ppm2 8.318
 
! ############### c13noe.2115 folded +
assi (attr store1 < 8.159 and attr store1 > 8.059 )
     ((attr store1 < 0.969 and attr store1 > 0.909 ) and 
      (bondedto (attr store1 < 119.924109131  and attr store1 > 119.124109131 ) or 
       bondedto (attr store1 < 72.2  and attr store1 > 71.4 ) or 
       bondedto (attr store1 < 24.4758908686  and attr store1 > 23.6758908686 ))) 
6 0.1 0.1 peak 2115 volume 6.28252 ppm1 0.939 ppm2 8.109
 
! ############### c13noe.2116 folded +
assi (attr store1 < 7.808 and attr store1 > 7.708 )
     ((attr store1 < 0.97 and attr store1 > 0.91 ) and 
      (bondedto (attr store1 < 119.905109131  and attr store1 > 119.105109131 ) or 
       bondedto (attr store1 < 72.181  and attr store1 > 71.381 ) or 
       bondedto (attr store1 < 24.4568908686  and attr store1 > 23.6568908686 ))) 
6 0.1 0.1 peak 2116 volume 23.02059 ppm1 0.940 ppm2 7.758
 
! ############### c13noe.2117 folded +
assi (attr store1 < 7.301 and attr store1 > 7.201 )
     ((attr store1 < 0.97 and attr store1 > 0.91 ) and 
      (bondedto (attr store1 < 119.930109131  and attr store1 > 119.130109131 ) or 
       bondedto (attr store1 < 72.206  and attr store1 > 71.406 ) or 
       bondedto (attr store1 < 24.4818908686  and attr store1 > 23.6818908686 ))) 
6 0.1 0.1 peak 2117 volume 8.22917 ppm1 0.940 ppm2 7.251
 
! ############### c13noe.2118 folded +
assi (attr store1 < 7.021 and attr store1 > 6.921 )
     ((attr store1 < 0.971 and attr store1 > 0.911 ) and 
      (bondedto (attr store1 < 119.877109131  and attr store1 > 119.077109131 ) or 
       bondedto (attr store1 < 72.153  and attr store1 > 71.353 ) or 
       bondedto (attr store1 < 24.4288908686  and attr store1 > 23.6288908686 ))) 
6 0.1 0.1 peak 2118 volume 7.31536 ppm1 0.941 ppm2 6.971
 
! ############### c13noe.2119 folded +
assi (attr store1 < 8.846 and attr store1 > 8.746 )
     ((attr store1 < 0.522 and attr store1 > 0.462 ) and 
      (bondedto (attr store1 < 119.864109131  and attr store1 > 119.064109131 ) or 
       bondedto (attr store1 < 72.14  and attr store1 > 71.34 ) or 
       bondedto (attr store1 < 24.4158908686  and attr store1 > 23.6158908686 ))) 
6 0.1 0.1 peak 2119 volume 7.50097 ppm1 0.492 ppm2 8.796
 
! ############### c13noe.2120 folded +
assi (attr store1 < 2.011 and attr store1 > 1.911 )
     ((attr store1 < 2.344 and attr store1 > 2.284 ) and 
      (bondedto (attr store1 < 119.825109131  and attr store1 > 119.025109131 ) or 
       bondedto (attr store1 < 72.101  and attr store1 > 71.301 ) or 
       bondedto (attr store1 < 24.3768908686  and attr store1 > 23.5768908686 ))) 
6 0.1 0.1 peak 2120 volume 16.17310 ppm1 2.314 ppm2 1.961
 
! ############### c13noe.2121 folded +
assi (attr store1 < 2.364 and attr store1 > 2.264 )
     ((attr store1 < 1.993 and attr store1 > 1.933 ) and 
      (bondedto (attr store1 < 119.839109131  and attr store1 > 119.039109131 ) or 
       bondedto (attr store1 < 72.115  and attr store1 > 71.315 ) or 
       bondedto (attr store1 < 24.3908908686  and attr store1 > 23.5908908686 ))) 
6 0.1 0.1 peak 2121 volume 14.14406 ppm1 1.963 ppm2 2.314
 
! ############### c13noe.2122 folded +
assi (attr store1 < 2.357 and attr store1 > 2.257 )
     ((attr store1 < 1.967 and attr store1 > 1.907 ) and 
      (bondedto (attr store1 < 119.803109131  and attr store1 > 119.003109131 ) or 
       bondedto (attr store1 < 72.079  and attr store1 > 71.279 ) or 
       bondedto (attr store1 < 24.3548908686  and attr store1 > 23.5548908686 ))) 
6 0.1 0.1 peak 2122 volume 12.69014 ppm1 1.937 ppm2 2.307
 
! ############### c13noe.2123 folded +
assi (attr store1 < 0.543 and attr store1 > 0.443 )
     ((attr store1 < 1.615 and attr store1 > 1.555 ) and 
      (bondedto (attr store1 < 119.823109131  and attr store1 > 119.023109131 ) or 
       bondedto (attr store1 < 72.099  and attr store1 > 71.299 ) or 
       bondedto (attr store1 < 24.3748908686  and attr store1 > 23.5748908686 ))) 
6 0.1 0.1 peak 2123 volume 19.03241 ppm1 1.585 ppm2 0.493
 
! ############### c13noe.2124 folded +
assi (attr store1 < 8.873 and attr store1 > 8.773 )
     ((attr store1 < 1.157 and attr store1 > 1.097 ) and 
      (bondedto (attr store1 < 119.828109131  and attr store1 > 119.028109131 ) or 
       bondedto (attr store1 < 72.104  and attr store1 > 71.304 ) or 
       bondedto (attr store1 < 24.3798908686  and attr store1 > 23.5798908686 ))) 
6 0.1 0.1 peak 2124 volume 10.23722 ppm1 1.127 ppm2 8.823
 
! ############### c13noe.2125 folded +
assi (attr store1 < 7.556 and attr store1 > 7.456 )
     ((attr store1 < 1.152 and attr store1 > 1.092 ) and 
      (bondedto (attr store1 < 119.861109131  and attr store1 > 119.061109131 ) or 
       bondedto (attr store1 < 72.137  and attr store1 > 71.337 ) or 
       bondedto (attr store1 < 24.4128908686  and attr store1 > 23.6128908686 ))) 
6 0.1 0.1 peak 2125 volume 10.43149 ppm1 1.122 ppm2 7.506
 
! ############### c13noe.2126 folded +
assi (attr store1 < 3.652 and attr store1 > 3.552 )
     ((attr store1 < 1.153 and attr store1 > 1.093 ) and 
      (bondedto (attr store1 < 119.853109131  and attr store1 > 119.053109131 ) or 
       bondedto (attr store1 < 72.129  and attr store1 > 71.329 ) or 
       bondedto (attr store1 < 24.4048908686  and attr store1 > 23.6048908686 ))) 
6 0.1 0.1 peak 2126 volume 54.95985 ppm1 1.123 ppm2 3.602
 
! ############### c13noe.2127 folded +
assi (attr store1 < 8.714 and attr store1 > 8.614 )
     ((attr store1 < 1.072 and attr store1 > 1.012 ) and 
      (bondedto (attr store1 < 119.811109131  and attr store1 > 119.011109131 ) or 
       bondedto (attr store1 < 72.087  and attr store1 > 71.287 ) or 
       bondedto (attr store1 < 24.3628908686  and attr store1 > 23.5628908686 ))) 
6 0.1 0.1 peak 2127 volume 12.92930 ppm1 1.042 ppm2 8.664
 
! ############### c13noe.2128 folded +
assi (attr store1 < 7.348 and attr store1 > 7.248 )
     ((attr store1 < 1.07 and attr store1 > 1.01 ) and 
      (bondedto (attr store1 < 119.792109131  and attr store1 > 118.992109131 ) or 
       bondedto (attr store1 < 72.068  and attr store1 > 71.268 ) or 
       bondedto (attr store1 < 24.3438908686  and attr store1 > 23.5438908686 ))) 
6 0.1 0.1 peak 2128 volume 40.39880 ppm1 1.040 ppm2 7.298
 
! ############### c13noe.2129 folded +
assi (attr store1 < 3.638 and attr store1 > 3.538 )
     ((attr store1 < 1.068 and attr store1 > 1.008 ) and 
      (bondedto (attr store1 < 119.820109131  and attr store1 > 119.020109131 ) or 
       bondedto (attr store1 < 72.096  and attr store1 > 71.296 ) or 
       bondedto (attr store1 < 24.3718908686  and attr store1 > 23.5718908686 ))) 
6 0.1 0.1 peak 2129 volume 59.24405 ppm1 1.038 ppm2 3.588
 
! ############### c13noe.2130 folded +
assi (attr store1 < 3.551 and attr store1 > 3.451 )
     ((attr store1 < 1.07 and attr store1 > 1.01 ) and 
      (bondedto (attr store1 < 119.804109131  and attr store1 > 119.004109131 ) or 
       bondedto (attr store1 < 72.08  and attr store1 > 71.28 ) or 
       bondedto (attr store1 < 24.3558908686  and attr store1 > 23.5558908686 ))) 
6 0.1 0.1 peak 2130 volume 61.14270 ppm1 1.040 ppm2 3.501
 
! ############### c13noe.2131 folded +
assi (attr store1 < 8.176 and attr store1 > 8.076 )
     ((attr store1 < 1.067 and attr store1 > 1.007 ) and 
      (bondedto (attr store1 < 119.817109131  and attr store1 > 119.017109131 ) or 
       bondedto (attr store1 < 72.093  and attr store1 > 71.293 ) or 
       bondedto (attr store1 < 24.3688908686  and attr store1 > 23.5688908686 ))) 
6 0.1 0.1 peak 2131 volume 7.96071 ppm1 1.037 ppm2 8.126
 
! ############### c13noe.2132 folded +
assi (attr store1 < 7.803 and attr store1 > 7.703 )
     ((attr store1 < 1.023 and attr store1 > 0.963 ) and 
      (bondedto (attr store1 < 119.796109131  and attr store1 > 118.996109131 ) or 
       bondedto (attr store1 < 72.072  and attr store1 > 71.272 ) or 
       bondedto (attr store1 < 24.3478908686  and attr store1 > 23.5478908686 ))) 
6 0.1 0.1 peak 2132 volume 12.91718 ppm1 0.993 ppm2 7.753
 
! ############### c13noe.2133 folded +
assi (attr store1 < 7.153 and attr store1 > 7.053 )
     ((attr store1 < 1.024 and attr store1 > 0.964 ) and 
      (bondedto (attr store1 < 119.795109131  and attr store1 > 118.995109131 ) or 
       bondedto (attr store1 < 72.071  and attr store1 > 71.271 ) or 
       bondedto (attr store1 < 24.3468908686  and attr store1 > 23.5468908686 ))) 
6 0.1 0.1 peak 2133 volume 25.95901 ppm1 0.994 ppm2 7.103
 
! ############### c13noe.2134 folded +
assi (attr store1 < 6.923 and attr store1 > 6.823 )
     ((attr store1 < 1.025 and attr store1 > 0.965 ) and 
      (bondedto (attr store1 < 119.772109131  and attr store1 > 118.972109131 ) or 
       bondedto (attr store1 < 72.048  and attr store1 > 71.248 ) or 
       bondedto (attr store1 < 24.3238908686  and attr store1 > 23.5238908686 ))) 
6 0.1 0.1 peak 2134 volume 10.08711 ppm1 0.995 ppm2 6.873
 
! ############### c13noe.2135 folded +
assi (attr store1 < 3.948 and attr store1 > 3.848 )
     ((attr store1 < 1.024 and attr store1 > 0.964 ) and 
      (bondedto (attr store1 < 119.797109131  and attr store1 > 118.997109131 ) or 
       bondedto (attr store1 < 72.073  and attr store1 > 71.273 ) or 
       bondedto (attr store1 < 24.3488908686  and attr store1 > 23.5488908686 ))) 
6 0.1 0.1 peak 2135 volume 69.67109 ppm1 0.994 ppm2 3.898
 
! ############### c13noe.2136 folded +
assi (attr store1 < 8.41 and attr store1 > 8.31 )
     ((attr store1 < 1.023 and attr store1 > 0.963 ) and 
      (bondedto (attr store1 < 119.790109131  and attr store1 > 118.990109131 ) or 
       bondedto (attr store1 < 72.066  and attr store1 > 71.266 ) or 
       bondedto (attr store1 < 24.3418908686  and attr store1 > 23.5418908686 ))) 
6 0.1 0.1 peak 2136 volume 15.30534 ppm1 0.993 ppm2 8.360
 
! ############### c13noe.2137 folded +
assi (attr store1 < 8.045 and attr store1 > 7.945 )
     ((attr store1 < 1.022 and attr store1 > 0.962 ) and 
      (bondedto (attr store1 < 119.814109131  and attr store1 > 119.014109131 ) or 
       bondedto (attr store1 < 72.09  and attr store1 > 71.29 ) or 
       bondedto (attr store1 < 24.3658908686  and attr store1 > 23.5658908686 ))) 
6 0.1 0.1 peak 2137 volume 8.40563 ppm1 0.992 ppm2 7.995
 
! ############### c13noe.2138 folded +
assi (attr store1 < 7.894 and attr store1 > 7.794 )
     ((attr store1 < 1.022 and attr store1 > 0.962 ) and 
      (bondedto (attr store1 < 119.799109131  and attr store1 > 118.999109131 ) or 
       bondedto (attr store1 < 72.075  and attr store1 > 71.275 ) or 
       bondedto (attr store1 < 24.3508908686  and attr store1 > 23.5508908686 ))) 
6 0.1 0.1 peak 2138 volume 10.98287 ppm1 0.992 ppm2 7.844
 
! ############### c13noe.2139 folded +
assi (attr store1 < 8.51 and attr store1 > 8.41 )
     ((attr store1 < 0.52 and attr store1 > 0.46 ) and 
      (bondedto (attr store1 < 119.814109131  and attr store1 > 119.014109131 ) or 
       bondedto (attr store1 < 72.09  and attr store1 > 71.29 ) or 
       bondedto (attr store1 < 24.3658908686  and attr store1 > 23.5658908686 ))) 
6 0.1 0.1 peak 2139 volume 6.63344 ppm1 0.490 ppm2 8.460
 
! ############### c13noe.2140 folded +
assi (attr store1 < 8.087 and attr store1 > 7.987 )
     ((attr store1 < 0.522 and attr store1 > 0.462 ) and 
      (bondedto (attr store1 < 119.811109131  and attr store1 > 119.011109131 ) or 
       bondedto (attr store1 < 72.087  and attr store1 > 71.287 ) or 
       bondedto (attr store1 < 24.3628908686  and attr store1 > 23.5628908686 ))) 
6 0.1 0.1 peak 2140 volume 6.91339 ppm1 0.492 ppm2 8.037
 
! ############### c13noe.2141 folded +
assi (attr store1 < 7.82 and attr store1 > 7.72 )
     ((attr store1 < 0.521 and attr store1 > 0.461 ) and 
      (bondedto (attr store1 < 119.833109131  and attr store1 > 119.033109131 ) or 
       bondedto (attr store1 < 72.109  and attr store1 > 71.309 ) or 
       bondedto (attr store1 < 24.3848908686  and attr store1 > 23.5848908686 ))) 
6 0.1 0.1 peak 2141 volume 14.11813 ppm1 0.491 ppm2 7.770
 
! ############### c13noe.2142 folded +
assi (attr store1 < 7.591 and attr store1 > 7.491 )
     ((attr store1 < 0.521 and attr store1 > 0.461 ) and 
      (bondedto (attr store1 < 119.823109131  and attr store1 > 119.023109131 ) or 
       bondedto (attr store1 < 72.099  and attr store1 > 71.299 ) or 
       bondedto (attr store1 < 24.3748908686  and attr store1 > 23.5748908686 ))) 
6 0.1 0.1 peak 2142 volume 19.52660 ppm1 0.491 ppm2 7.541
 
! ############### c13noe.2143 folded +
assi (attr store1 < 6.798 and attr store1 > 6.698 )
     ((attr store1 < 0.521 and attr store1 > 0.461 ) and 
      (bondedto (attr store1 < 119.825109131  and attr store1 > 119.025109131 ) or 
       bondedto (attr store1 < 72.101  and attr store1 > 71.301 ) or 
       bondedto (attr store1 < 24.3768908686  and attr store1 > 23.5768908686 ))) 
6 0.1 0.1 peak 2143 volume 17.33255 ppm1 0.491 ppm2 6.748
 
! ############### c13noe.2144 folded +
assi (attr store1 < 3.963 and attr store1 > 3.863 )
     ((attr store1 < 0.521 and attr store1 > 0.461 ) and 
      (bondedto (attr store1 < 119.834109131  and attr store1 > 119.034109131 ) or 
       bondedto (attr store1 < 72.11  and attr store1 > 71.31 ) or 
       bondedto (attr store1 < 24.3858908686  and attr store1 > 23.5858908686 ))) 
6 0.1 0.1 peak 2144 volume 80.69677 ppm1 0.491 ppm2 3.913
 
! ############### c13noe.2145 folded +
assi (attr store1 < 7.88 and attr store1 > 7.78 )
     ((attr store1 < 1.16 and attr store1 > 1.1 ) and 
      (bondedto (attr store1 < 119.737109131  and attr store1 > 118.937109131 ) or 
       bondedto (attr store1 < 72.013  and attr store1 > 71.213 ) or 
       bondedto (attr store1 < 24.2888908686  and attr store1 > 23.4888908686 ))) 
6 0.1 0.1 peak 2145 volume 7.73580 ppm1 1.130 ppm2 7.830
 
! ############### c13noe.2146 folded +
assi (attr store1 < 6.891 and attr store1 > 6.791 )
     ((attr store1 < 1.164 and attr store1 > 1.104 ) and 
      (bondedto (attr store1 < 119.685109131  and attr store1 > 118.885109131 ) or 
       bondedto (attr store1 < 71.961  and attr store1 > 71.161 ) or 
       bondedto (attr store1 < 24.2368908686  and attr store1 > 23.4368908686 ))) 
6 0.1 0.1 peak 2146 volume 9.54437 ppm1 1.134 ppm2 6.841
 
! ############### c13noe.2147 folded +
assi (attr store1 < 4.059 and attr store1 > 3.959 )
     ((attr store1 < 1.163 and attr store1 > 1.103 ) and 
      (bondedto (attr store1 < 119.688109131  and attr store1 > 118.888109131 ) or 
       bondedto (attr store1 < 71.964  and attr store1 > 71.164 ) or 
       bondedto (attr store1 < 24.2398908686  and attr store1 > 23.4398908686 ))) 
6 0.1 0.1 peak 2147 volume 61.67955 ppm1 1.133 ppm2 4.009
 
! ############### c13noe.2148 folded +
assi (attr store1 < 8.869 and attr store1 > 8.769 )
     ((attr store1 < 1.068 and attr store1 > 1.008 ) and 
      (bondedto (attr store1 < 119.768109131  and attr store1 > 118.968109131 ) or 
       bondedto (attr store1 < 72.044  and attr store1 > 71.244 ) or 
       bondedto (attr store1 < 24.3198908686  and attr store1 > 23.5198908686 ))) 
6 0.1 0.1 peak 2148 volume 7.94932 ppm1 1.038 ppm2 8.819
 
! ############### c13noe.2149 folded +
assi (attr store1 < 7.64 and attr store1 > 7.54 )
     ((attr store1 < 1.069 and attr store1 > 1.009 ) and 
      (bondedto (attr store1 < 119.739109131  and attr store1 > 118.939109131 ) or 
       bondedto (attr store1 < 72.015  and attr store1 > 71.215 ) or 
       bondedto (attr store1 < 24.2908908686  and attr store1 > 23.4908908686 ))) 
6 0.1 0.1 peak 2149 volume 7.54393 ppm1 1.039 ppm2 7.590
 
! ############### c13noe.2150 folded +
assi (attr store1 < 8.32 and attr store1 > 8.22 )
     ((attr store1 < 1.163 and attr store1 > 1.103 ) and 
      (bondedto (attr store1 < 119.671109131  and attr store1 > 118.871109131 ) or 
       bondedto (attr store1 < 71.947  and attr store1 > 71.147 ) or 
       bondedto (attr store1 < 24.2228908686  and attr store1 > 23.4228908686 ))) 
6 0.1 0.1 peak 2150 volume 42.91325 ppm1 1.133 ppm2 8.270
 
! ############### c13noe.2151 folded +
assi (attr store1 < 7.216 and attr store1 > 7.116 )
     ((attr store1 < 1.162 and attr store1 > 1.102 ) and 
      (bondedto (attr store1 < 119.651109131  and attr store1 > 118.851109131 ) or 
       bondedto (attr store1 < 71.927  and attr store1 > 71.127 ) or 
       bondedto (attr store1 < 24.2028908686  and attr store1 > 23.4028908686 ))) 
6 0.1 0.1 peak 2151 volume 18.48134 ppm1 1.132 ppm2 7.166
 
! ############### c13noe.2152 folded +
assi (attr store1 < 6.302 and attr store1 > 6.202 )
     ((attr store1 < 1.163 and attr store1 > 1.103 ) and 
      (bondedto (attr store1 < 119.665109131  and attr store1 > 118.865109131 ) or 
       bondedto (attr store1 < 71.941  and attr store1 > 71.141 ) or 
       bondedto (attr store1 < 24.2168908686  and attr store1 > 23.4168908686 ))) 
6 0.1 0.1 peak 2152 volume 18.32400 ppm1 1.133 ppm2 6.252
 
! ############### c13noe.2153 folded +
assi (attr store1 < 8.697 and attr store1 > 8.597 )
     ((attr store1 < 0.953 and attr store1 > 0.893 ) and 
      (bondedto (attr store1 < 119.651109131  and attr store1 > 118.851109131 ) or 
       bondedto (attr store1 < 71.927  and attr store1 > 71.127 ) or 
       bondedto (attr store1 < 24.2028908686  and attr store1 > 23.4028908686 ))) 
6 0.1 0.1 peak 2153 volume 7.28976 ppm1 0.923 ppm2 8.647
 
! ############### c13noe.2154 folded +
assi (attr store1 < 7.867 and attr store1 > 7.767 )
     ((attr store1 < 0.954 and attr store1 > 0.894 ) and 
      (bondedto (attr store1 < 119.621109131  and attr store1 > 118.821109131 ) or 
       bondedto (attr store1 < 71.897  and attr store1 > 71.097 ) or 
       bondedto (attr store1 < 24.1728908686  and attr store1 > 23.3728908686 ))) 
6 0.1 0.1 peak 2154 volume 38.15933 ppm1 0.924 ppm2 7.817
 
! ############### c13noe.2155 folded +
assi (attr store1 < 6.906 and attr store1 > 6.806 )
     ((attr store1 < 0.956 and attr store1 > 0.896 ) and 
      (bondedto (attr store1 < 119.633109131  and attr store1 > 118.833109131 ) or 
       bondedto (attr store1 < 71.909  and attr store1 > 71.109 ) or 
       bondedto (attr store1 < 24.1848908686  and attr store1 > 23.3848908686 ))) 
6 0.1 0.1 peak 2155 volume 6.85628 ppm1 0.926 ppm2 6.856
 
! ############### c13noe.2156 folded +
assi (attr store1 < 4.248 and attr store1 > 4.148 )
     ((attr store1 < 0.953 and attr store1 > 0.893 ) and 
      (bondedto (attr store1 < 119.626109131  and attr store1 > 118.826109131 ) or 
       bondedto (attr store1 < 71.902  and attr store1 > 71.102 ) or 
       bondedto (attr store1 < 24.1778908686  and attr store1 > 23.3778908686 ))) 
6 0.1 0.1 peak 2156 volume 133.61642 ppm1 0.923 ppm2 4.198
 
! ############### c13noe.2157 folded -
assi (attr store1 < 3.883 and attr store1 > 3.783 )
     ((attr store1 < 3.699 and attr store1 > 3.639 ) and 
      (bondedto (attr store1 < 95.7750545657  and attr store1 > 94.9750545657 ) or 
       bondedto (attr store1 < 143.499163697  and attr store1 > 142.699163697) or 
       bondedto (attr store1 < 48.0509454343  and attr store1 > 47.2509454343 ))) 
6 0.1 0.1 peak 2157 volume 11.18813 ppm1 3.669 ppm2 3.833
 
! ############### c13noe.2158 folded +
assi (attr store1 < 3.3 and attr store1 > 3.2 )
     ((attr store1 < 3.189 and attr store1 > 3.129 ) and 
      (bondedto (attr store1 < 119.512109131  and attr store1 > 118.712109131 ) or 
       bondedto (attr store1 < 71.788  and attr store1 > 70.988 ) or 
       bondedto (attr store1 < 24.0638908686  and attr store1 > 23.2638908686 ))) 
6 0.1 0.1 peak 2158 volume 43.21367 ppm1 3.159 ppm2 3.250
 
! ############### c13noe.2159 folded -
assi (attr store1 < 2.448 and attr store1 > 2.348 )
     ((attr store1 < 2.509 and attr store1 > 2.449 ) and 
      (bondedto (attr store1 < 95.6700545657  and attr store1 > 94.8700545657 ) or 
       bondedto (attr store1 < 143.394163697  and attr store1 > 142.594163697) or 
       bondedto (attr store1 < 47.9459454343  and attr store1 > 47.1459454343 ))) 
6 0.1 0.1 peak 2159 volume 14.96886 ppm1 2.479 ppm2 2.398
 
! ############### c13noe.2160 folded -
assi (attr store1 < 2.531 and attr store1 > 2.431 )
     ((attr store1 < 2.428 and attr store1 > 2.368 ) and 
      (bondedto (attr store1 < 95.6420545657  and attr store1 > 94.8420545657 ) or 
       bondedto (attr store1 < 143.366163697  and attr store1 > 142.566163697) or 
       bondedto (attr store1 < 47.9179454343  and attr store1 > 47.1179454343 ))) 
6 0.1 0.1 peak 2160 volume 14.06685 ppm1 2.398 ppm2 2.481
 
! ############### c13noe.2161 folded +
assi (attr store1 < 3.215 and attr store1 > 3.115 )
     ((attr store1 < 3.282 and attr store1 > 3.222 ) and 
      (bondedto (attr store1 < 119.454109131  and attr store1 > 118.654109131 ) or 
       bondedto (attr store1 < 71.73  and attr store1 > 70.93 ) or 
       bondedto (attr store1 < 24.0058908686  and attr store1 > 23.2058908686 ))) 
6 0.1 0.1 peak 2161 volume 43.28469 ppm1 3.252 ppm2 3.165
 
! ############### c13noe.2162 folded +
assi (attr store1 < 3.826 and attr store1 > 3.726 )
     ((attr store1 < 1.153 and attr store1 > 1.093 ) and 
      (bondedto (attr store1 < 119.422109131  and attr store1 > 118.622109131 ) or 
       bondedto (attr store1 < 71.698  and attr store1 > 70.898 ) or 
       bondedto (attr store1 < 23.9738908686  and attr store1 > 23.1738908686 ))) 
6 0.1 0.1 peak 2162 volume 10.12637 ppm1 1.123 ppm2 3.776
 
! ############### c13noe.2163 folded +
assi (attr store1 < 8.712 and attr store1 > 8.612 )
     ((attr store1 < 0.901 and attr store1 > 0.841 ) and 
      (bondedto (attr store1 < 119.460109131  and attr store1 > 118.660109131 ) or 
       bondedto (attr store1 < 71.736  and attr store1 > 70.936 ) or 
       bondedto (attr store1 < 24.0118908686  and attr store1 > 23.2118908686 ))) 
6 0.1 0.1 peak 2163 volume 21.12036 ppm1 0.871 ppm2 8.662
 
! ############### c13noe.2164 folded +
assi (attr store1 < 8.499 and attr store1 > 8.399 )
     ((attr store1 < 0.899 and attr store1 > 0.839 ) and 
      (bondedto (attr store1 < 119.436109131  and attr store1 > 118.636109131 ) or 
       bondedto (attr store1 < 71.712  and attr store1 > 70.912 ) or 
       bondedto (attr store1 < 23.9878908686  and attr store1 > 23.1878908686 ))) 
6 0.1 0.1 peak 2164 volume 16.05113 ppm1 0.869 ppm2 8.449
 
! ############### c13noe.2165 folded +
assi (attr store1 < 4.504 and attr store1 > 4.404 )
     ((attr store1 < 0.9 and attr store1 > 0.84 ) and 
      (bondedto (attr store1 < 119.443109131  and attr store1 > 118.643109131 ) or 
       bondedto (attr store1 < 71.719  and attr store1 > 70.919 ) or 
       bondedto (attr store1 < 23.9948908686  and attr store1 > 23.1948908686 ))) 
6 0.1 0.1 peak 2165 volume 7.52473 ppm1 0.870 ppm2 4.454
 
! ############### c13noe.2166 folded +
assi (attr store1 < 4.122 and attr store1 > 4.022 )
     ((attr store1 < 0.899 and attr store1 > 0.839 ) and 
      (bondedto (attr store1 < 119.469109131  and attr store1 > 118.669109131 ) or 
       bondedto (attr store1 < 71.745  and attr store1 > 70.945 ) or 
       bondedto (attr store1 < 24.0208908686  and attr store1 > 23.2208908686 ))) 
6 0.1 0.1 peak 2166 volume 58.04285 ppm1 0.869 ppm2 4.072
 
! ############### c13noe.2167 folded +
assi (attr store1 < 3.769 and attr store1 > 3.669 )
     ((attr store1 < 0.899 and attr store1 > 0.839 ) and 
      (bondedto (attr store1 < 119.463109131  and attr store1 > 118.663109131 ) or 
       bondedto (attr store1 < 71.739  and attr store1 > 70.939 ) or 
       bondedto (attr store1 < 24.0148908686  and attr store1 > 23.2148908686 ))) 
6 0.1 0.1 peak 2167 volume 16.65749 ppm1 0.869 ppm2 3.719
 
! ############### c13noe.2168 folded +
assi (attr store1 < 3.601 and attr store1 > 3.501 )
     ((attr store1 < 0.9 and attr store1 > 0.84 ) and 
      (bondedto (attr store1 < 119.451109131  and attr store1 > 118.651109131 ) or 
       bondedto (attr store1 < 71.727  and attr store1 > 70.927 ) or 
       bondedto (attr store1 < 24.0028908686  and attr store1 > 23.2028908686 ))) 
6 0.1 0.1 peak 2168 volume 16.38001 ppm1 0.870 ppm2 3.551
 
! ############### c13noe.2169 folded -
assi (attr store1 < 3.882 and attr store1 > 3.782 )
     ((attr store1 < 4.058 and attr store1 > 3.998 ) and 
      (bondedto (attr store1 < 95.5760545657  and attr store1 > 94.7760545657 ) or 
       bondedto (attr store1 < 143.300163697  and attr store1 > 142.500163697) or 
       bondedto (attr store1 < 47.8519454343  and attr store1 > 47.0519454343 ))) 
6 0.1 0.1 peak 2169 volume 19.07752 ppm1 4.028 ppm2 3.832
 
! ############### c13noe.2170 folded -
assi (attr store1 < 2.365 and attr store1 > 2.265 )
     ((attr store1 < 2.011 and attr store1 > 1.951 ) and 
      (bondedto (attr store1 < 95.5450545657  and attr store1 > 94.7450545657 ) or 
       bondedto (attr store1 < 143.269163697  and attr store1 > 142.469163697) or 
       bondedto (attr store1 < 47.8209454343  and attr store1 > 47.0209454343 ))) 
6 0.1 0.1 peak 2170 volume 15.46787 ppm1 1.981 ppm2 2.315
 
! ############### c13noe.2171 folded +
assi (attr store1 < 8.047 and attr store1 > 7.947 )
     ((attr store1 < 0.9 and attr store1 > 0.84 ) and 
      (bondedto (attr store1 < 119.389109131  and attr store1 > 118.589109131 ) or 
       bondedto (attr store1 < 71.665  and attr store1 > 70.865 ) or 
       bondedto (attr store1 < 23.9408908686  and attr store1 > 23.1408908686 ))) 
6 0.1 0.1 peak 2171 volume 13.93243 ppm1 0.870 ppm2 7.997
 
! ############### c13noe.2172 folded -
assi (attr store1 < 8.385 and attr store1 > 8.285 )
     ((attr store1 < 4.037 and attr store1 > 3.977 ) and 
      (bondedto (attr store1 < 95.5190545657  and attr store1 > 94.7190545657 ) or 
       bondedto (attr store1 < 143.243163697  and attr store1 > 142.443163697) or 
       bondedto (attr store1 < 47.7949454343  and attr store1 > 46.9949454343 ))) 
6 0.1 0.1 peak 2172 volume 13.98805 ppm1 4.007 ppm2 8.335
 
! ############### c13noe.2173 folded -
assi (attr store1 < 8.391 and attr store1 > 8.291 )
     ((attr store1 < 3.825 and attr store1 > 3.765 ) and 
      (bondedto (attr store1 < 95.4900545657  and attr store1 > 94.6900545657 ) or 
       bondedto (attr store1 < 143.214163697  and attr store1 > 142.414163697) or 
       bondedto (attr store1 < 47.7659454343  and attr store1 > 46.9659454343 ))) 
6 0.1 0.1 peak 2173 volume 13.53008 ppm1 3.795 ppm2 8.341
 
! ############### c13noe.2174 folded -
assi (attr store1 < 4.047 and attr store1 > 3.947 )
     ((attr store1 < 3.825 and attr store1 > 3.765 ) and 
      (bondedto (attr store1 < 95.4920545657  and attr store1 > 94.6920545657 ) or 
       bondedto (attr store1 < 143.216163697  and attr store1 > 142.416163697) or 
       bondedto (attr store1 < 47.7679454343  and attr store1 > 46.9679454343 ))) 
6 0.1 0.1 peak 2174 volume 26.73068 ppm1 3.795 ppm2 3.997
 
! ############### c13noe.2175 folded -
assi (attr store1 < 2.002 and attr store1 > 1.902 )
     ((attr store1 < 2.343 and attr store1 > 2.283 ) and 
      (bondedto (attr store1 < 95.4750545657  and attr store1 > 94.6750545657 ) or 
       bondedto (attr store1 < 143.199163697  and attr store1 > 142.399163697) or 
       bondedto (attr store1 < 47.7509454343  and attr store1 > 46.9509454343 ))) 
6 0.1 0.1 peak 2175 volume 25.44843 ppm1 2.313 ppm2 1.952
 
! ############### c13noe.2176 folded -
assi (attr store1 < 2.361 and attr store1 > 2.261 )
     ((attr store1 < 1.975 and attr store1 > 1.915 ) and 
      (bondedto (attr store1 < 95.4820545657  and attr store1 > 94.6820545657 ) or 
       bondedto (attr store1 < 143.206163697  and attr store1 > 142.406163697) or 
       bondedto (attr store1 < 47.7579454343  and attr store1 > 46.9579454343 ))) 
6 0.1 0.1 peak 2176 volume 20.62564 ppm1 1.945 ppm2 2.311
 
! ############### c13noe.2177 folded +
assi (attr store1 < 3.308 and attr store1 > 3.208 )
     ((attr store1 < 3.191 and attr store1 > 3.131 ) and 
      (bondedto (attr store1 < 119.271109131  and attr store1 > 118.471109131 ) or 
       bondedto (attr store1 < 71.547  and attr store1 > 70.747 ) or 
       bondedto (attr store1 < 23.8228908686  and attr store1 > 23.0228908686 ))) 
6 0.1 0.1 peak 2177 volume 42.89488 ppm1 3.161 ppm2 3.258
 
! ############### c13noe.2178 folded -
assi (attr store1 < 2.73 and attr store1 > 2.63 )
     ((attr store1 < 2.815 and attr store1 > 2.755 ) and 
      (bondedto (attr store1 < 95.4140545657  and attr store1 > 94.6140545657 ) or 
       bondedto (attr store1 < 143.138163697  and attr store1 > 142.338163697) or 
       bondedto (attr store1 < 47.6899454343  and attr store1 > 46.8899454343 ))) 
6 0.1 0.1 peak 2178 volume 8.65032 ppm1 2.785 ppm2 2.680
 
! ############### c13noe.2179 folded -
assi (attr store1 < 2.178 and attr store1 > 2.078 )
     ((attr store1 < 2.055 and attr store1 > 1.995 ) and 
      (bondedto (attr store1 < 95.4070545657  and attr store1 > 94.6070545657 ) or 
       bondedto (attr store1 < 143.131163697  and attr store1 > 142.331163697) or 
       bondedto (attr store1 < 47.6829454343  and attr store1 > 46.8829454343 ))) 
6 0.1 0.1 peak 2179 volume 11.55374 ppm1 2.025 ppm2 2.128
 
! ############### c13noe.2180 folded +
assi (attr store1 < 3.962 and attr store1 > 3.862 )
     ((attr store1 < 3.876 and attr store1 > 3.816 ) and 
      (bondedto (attr store1 < 119.192109131  and attr store1 > 118.392109131 ) or 
       bondedto (attr store1 < 71.468  and attr store1 > 70.668 ) or 
       bondedto (attr store1 < 23.7438908686  and attr store1 > 22.9438908686 ))) 
6 0.1 0.1 peak 2180 volume 21.53103 ppm1 3.846 ppm2 3.912
 
! ############### c13noe.2181 folded +
assi (attr store1 < 8.287 and attr store1 > 8.187 )
     ((attr store1 < 1.327 and attr store1 > 1.267 ) and 
      (bondedto (attr store1 < 119.138109131  and attr store1 > 118.338109131 ) or 
       bondedto (attr store1 < 71.414  and attr store1 > 70.614 ) or 
       bondedto (attr store1 < 23.6898908686  and attr store1 > 22.8898908686 ))) 
6 0.1 0.1 peak 2181 volume 8.21892 ppm1 1.297 ppm2 8.237
 
! ############### c13noe.2182 folded -
assi (attr store1 < 2.811 and attr store1 > 2.711 )
     ((attr store1 < 2.696 and attr store1 > 2.636 ) and 
      (bondedto (attr store1 < 95.3110545657  and attr store1 > 94.5110545657 ) or 
       bondedto (attr store1 < 143.035163697  and attr store1 > 142.235163697) or 
       bondedto (attr store1 < 47.5869454343  and attr store1 > 46.7869454343 ))) 
6 0.1 0.1 peak 2182 volume 12.11169 ppm1 2.666 ppm2 2.761
 
! ############### c13noe.2183 folded -
assi (attr store1 < 2.101 and attr store1 > 2.001 )
     ((attr store1 < 1.988 and attr store1 > 1.928 ) and 
      (bondedto (attr store1 < 95.2600545657  and attr store1 > 94.4600545657 ) or 
       bondedto (attr store1 < 142.984163697  and attr store1 > 142.184163697) or 
       bondedto (attr store1 < 47.5359454343  and attr store1 > 46.7359454343 ))) 
6 0.1 0.1 peak 2183 volume 8.84258 ppm1 1.958 ppm2 2.051
 
! ############### c13noe.2184 folded +
assi (attr store1 < 1.958 and attr store1 > 1.858 )
     ((attr store1 < 1.833 and attr store1 > 1.773 ) and 
      (bondedto (attr store1 < 119.092109131  and attr store1 > 118.292109131 ) or 
       bondedto (attr store1 < 71.368  and attr store1 > 70.568 ) or 
       bondedto (attr store1 < 23.6438908686  and attr store1 > 22.8438908686 ))) 
6 0.1 0.1 peak 2184 volume 11.55394 ppm1 1.803 ppm2 1.908
 
! ############### c13noe.2185 folded +
assi (attr store1 < 0.842 and attr store1 > 0.742 )
     ((attr store1 < 1.651 and attr store1 > 1.591 ) and 
      (bondedto (attr store1 < 119.053109131  and attr store1 > 118.253109131 ) or 
       bondedto (attr store1 < 71.329  and attr store1 > 70.529 ) or 
       bondedto (attr store1 < 23.6048908686  and attr store1 > 22.8048908686 ))) 
6 0.1 0.1 peak 2185 volume 8.10105 ppm1 1.621 ppm2 0.792
 
! ############### c13noe.2186 folded +
assi (attr store1 < 0.703 and attr store1 > 0.603 )
     ((attr store1 < 1.589 and attr store1 > 1.529 ) and 
      (bondedto (attr store1 < 119.090109131  and attr store1 > 118.290109131 ) or 
       bondedto (attr store1 < 71.366  and attr store1 > 70.566 ) or 
       bondedto (attr store1 < 23.6418908686  and attr store1 > 22.8418908686 ))) 
6 0.1 0.1 peak 2186 volume 23.34923 ppm1 1.559 ppm2 0.653
 
! ############### c13noe.2187 folded +
assi (attr store1 < 8.104 and attr store1 > 8.004 )
     ((attr store1 < 1.328 and attr store1 > 1.268 ) and 
      (bondedto (attr store1 < 119.075109131  and attr store1 > 118.275109131 ) or 
       bondedto (attr store1 < 71.351  and attr store1 > 70.551 ) or 
       bondedto (attr store1 < 23.6268908686  and attr store1 > 22.8268908686 ))) 
6 0.1 0.1 peak 2187 volume 23.88650 ppm1 1.298 ppm2 8.054
 
! ############### c13noe.2188 folded +
assi (attr store1 < 7.877 and attr store1 > 7.777 )
     ((attr store1 < 1.328 and attr store1 > 1.268 ) and 
      (bondedto (attr store1 < 119.073109131  and attr store1 > 118.273109131 ) or 
       bondedto (attr store1 < 71.349  and attr store1 > 70.549 ) or 
       bondedto (attr store1 < 23.6248908686  and attr store1 > 22.8248908686 ))) 
6 0.1 0.1 peak 2188 volume 9.06512 ppm1 1.298 ppm2 7.827
 
! ############### c13noe.2189 folded +
assi (attr store1 < 4.73 and attr store1 > 4.63 )
     ((attr store1 < 1.327 and attr store1 > 1.267 ) and 
      (bondedto (attr store1 < 119.086109131  and attr store1 > 118.286109131 ) or 
       bondedto (attr store1 < 71.362  and attr store1 > 70.562 ) or 
       bondedto (attr store1 < 23.6378908686  and attr store1 > 22.8378908686 ))) 
6 0.1 0.1 peak 2189 volume 99.52180 ppm1 1.297 ppm2 4.680
 
! ############### c13noe.2190 folded +
assi (attr store1 < 4.457 and attr store1 > 4.357 )
     ((attr store1 < 1.327 and attr store1 > 1.267 ) and 
      (bondedto (attr store1 < 119.086109131  and attr store1 > 118.286109131 ) or 
       bondedto (attr store1 < 71.362  and attr store1 > 70.562 ) or 
       bondedto (attr store1 < 23.6378908686  and attr store1 > 22.8378908686 ))) 
6 0.1 0.1 peak 2190 volume 67.26802 ppm1 1.297 ppm2 4.407
 
! ############### c13noe.2191 folded +
assi (attr store1 < 4.23 and attr store1 > 4.13 )
     ((attr store1 < 1.327 and attr store1 > 1.267 ) and 
      (bondedto (attr store1 < 119.102109131  and attr store1 > 118.302109131 ) or 
       bondedto (attr store1 < 71.378  and attr store1 > 70.578 ) or 
       bondedto (attr store1 < 23.6538908686  and attr store1 > 22.8538908686 ))) 
6 0.1 0.1 peak 2191 volume 40.17867 ppm1 1.297 ppm2 4.180
 
! ############### c13noe.2192 folded +
assi (attr store1 < 4.027 and attr store1 > 3.927 )
     ((attr store1 < 1.328 and attr store1 > 1.268 ) and 
      (bondedto (attr store1 < 119.070109131  and attr store1 > 118.270109131 ) or 
       bondedto (attr store1 < 71.346  and attr store1 > 70.546 ) or 
       bondedto (attr store1 < 23.6218908686  and attr store1 > 22.8218908686 ))) 
6 0.1 0.1 peak 2192 volume 10.47906 ppm1 1.298 ppm2 3.977
 
! ############### c13noe.2193 folded +
assi (attr store1 < 3.58 and attr store1 > 3.48 )
     ((attr store1 < 1.327 and attr store1 > 1.267 ) and 
      (bondedto (attr store1 < 119.082109131  and attr store1 > 118.282109131 ) or 
       bondedto (attr store1 < 71.358  and attr store1 > 70.558 ) or 
       bondedto (attr store1 < 23.6338908686  and attr store1 > 22.8338908686 ))) 
6 0.1 0.1 peak 2193 volume 11.98869 ppm1 1.297 ppm2 3.530
 
! ############### c13noe.2194 folded +
assi (attr store1 < 3.05 and attr store1 > 2.95 )
     ((attr store1 < 1.329 and attr store1 > 1.269 ) and 
      (bondedto (attr store1 < 119.089109131  and attr store1 > 118.289109131 ) or 
       bondedto (attr store1 < 71.365  and attr store1 > 70.565 ) or 
       bondedto (attr store1 < 23.6408908686  and attr store1 > 22.8408908686 ))) 
6 0.1 0.1 peak 2194 volume 14.71400 ppm1 1.299 ppm2 3.000
 
! ############### c13noe.2195 folded +
assi (attr store1 < 7.746 and attr store1 > 7.646 )
     ((attr store1 < 1.324 and attr store1 > 1.264 ) and 
      (bondedto (attr store1 < 119.072109131  and attr store1 > 118.272109131 ) or 
       bondedto (attr store1 < 71.348  and attr store1 > 70.548 ) or 
       bondedto (attr store1 < 23.6238908686  and attr store1 > 22.8238908686 ))) 
6 0.1 0.1 peak 2195 volume 6.28098 ppm1 1.294 ppm2 7.696
 
! ############### c13noe.2196 folded +
assi (attr store1 < 8.801 and attr store1 > 8.701 )
     ((attr store1 < 1.02 and attr store1 > 0.96 ) and 
      (bondedto (attr store1 < 119.085109131  and attr store1 > 118.285109131 ) or 
       bondedto (attr store1 < 71.361  and attr store1 > 70.561 ) or 
       bondedto (attr store1 < 23.6368908686  and attr store1 > 22.8368908686 ))) 
6 0.1 0.1 peak 2196 volume 10.51608 ppm1 0.990 ppm2 8.751
 
! ############### c13noe.2197 folded +
assi (attr store1 < 8.483 and attr store1 > 8.383 )
     ((attr store1 < 1.02 and attr store1 > 0.96 ) and 
      (bondedto (attr store1 < 119.079109131  and attr store1 > 118.279109131 ) or 
       bondedto (attr store1 < 71.355  and attr store1 > 70.555 ) or 
       bondedto (attr store1 < 23.6308908686  and attr store1 > 22.8308908686 ))) 
6 0.1 0.1 peak 2197 volume 50.37013 ppm1 0.990 ppm2 8.433
 
! ############### c13noe.2198 folded +
assi (attr store1 < 7.742 and attr store1 > 7.642 )
     ((attr store1 < 1.02 and attr store1 > 0.96 ) and 
      (bondedto (attr store1 < 119.076109131  and attr store1 > 118.276109131 ) or 
       bondedto (attr store1 < 71.352  and attr store1 > 70.552 ) or 
       bondedto (attr store1 < 23.6278908686  and attr store1 > 22.8278908686 ))) 
6 0.1 0.1 peak 2198 volume 8.19403 ppm1 0.990 ppm2 7.692
 
! ############### c13noe.2199 folded +
assi (attr store1 < 3.892 and attr store1 > 3.792 )
     ((attr store1 < 1.02 and attr store1 > 0.96 ) and 
      (bondedto (attr store1 < 119.114109131  and attr store1 > 118.314109131 ) or 
       bondedto (attr store1 < 71.39  and attr store1 > 70.59 ) or 
       bondedto (attr store1 < 23.6658908686  and attr store1 > 22.8658908686 ))) 
6 0.1 0.1 peak 2199 volume 23.16111 ppm1 0.990 ppm2 3.842
 
! ############### c13noe.2200 folded +
assi (attr store1 < 3.392 and attr store1 > 3.292 )
     ((attr store1 < 1.02 and attr store1 > 0.96 ) and 
      (bondedto (attr store1 < 119.065109131  and attr store1 > 118.265109131 ) or 
       bondedto (attr store1 < 71.341  and attr store1 > 70.541 ) or 
       bondedto (attr store1 < 23.6168908686  and attr store1 > 22.8168908686 ))) 
6 0.1 0.1 peak 2200 volume 40.46857 ppm1 0.990 ppm2 3.342
 
! ############### c13noe.2201 folded +
assi (attr store1 < 4.447 and attr store1 > 4.347 )
     ((attr store1 < 0.985 and attr store1 > 0.925 ) and 
      (bondedto (attr store1 < 119.037109131  and attr store1 > 118.237109131 ) or 
       bondedto (attr store1 < 71.313  and attr store1 > 70.513 ) or 
       bondedto (attr store1 < 23.5888908686  and attr store1 > 22.7888908686 ))) 
6 0.1 0.1 peak 2201 volume 10.30826 ppm1 0.955 ppm2 4.397
 
! ############### c13noe.2202 folded +
assi (attr store1 < 7.873 and attr store1 > 7.773 )
     ((attr store1 < 0.981 and attr store1 > 0.921 ) and 
      (bondedto (attr store1 < 119.050109131  and attr store1 > 118.250109131 ) or 
       bondedto (attr store1 < 71.326  and attr store1 > 70.526 ) or 
       bondedto (attr store1 < 23.6018908686  and attr store1 > 22.8018908686 ))) 
6 0.1 0.1 peak 2202 volume 28.57316 ppm1 0.951 ppm2 7.823
 
! ############### c13noe.2203 folded +
assi (attr store1 < 4.896 and attr store1 > 4.796 )
     ((attr store1 < 0.981 and attr store1 > 0.921 ) and 
      (bondedto (attr store1 < 119.083109131  and attr store1 > 118.283109131 ) or 
       bondedto (attr store1 < 71.359  and attr store1 > 70.559 ) or 
       bondedto (attr store1 < 23.6348908686  and attr store1 > 22.8348908686 ))) 
6 0.1 0.1 peak 2203 volume 51.92527 ppm1 0.951 ppm2 4.846
 
! ############### c13noe.2204 folded +
assi (attr store1 < 4.037 and attr store1 > 3.937 )
     ((attr store1 < 0.981 and attr store1 > 0.921 ) and 
      (bondedto (attr store1 < 119.086109131  and attr store1 > 118.286109131 ) or 
       bondedto (attr store1 < 71.362  and attr store1 > 70.562 ) or 
       bondedto (attr store1 < 23.6378908686  and attr store1 > 22.8378908686 ))) 
6 0.1 0.1 peak 2204 volume 46.31700 ppm1 0.951 ppm2 3.987
 
! ############### c13noe.2205 folded +
assi (attr store1 < 7.628 and attr store1 > 7.528 )
     ((attr store1 < 0.824 and attr store1 > 0.764 ) and 
      (bondedto (attr store1 < 119.058109131  and attr store1 > 118.258109131 ) or 
       bondedto (attr store1 < 71.334  and attr store1 > 70.534 ) or 
       bondedto (attr store1 < 23.6098908686  and attr store1 > 22.8098908686 ))) 
6 0.1 0.1 peak 2205 volume 19.92360 ppm1 0.794 ppm2 7.578
 
! ############### c13noe.2206 folded +
assi (attr store1 < 7.406 and attr store1 > 7.306 )
     ((attr store1 < 0.823 and attr store1 > 0.763 ) and 
      (bondedto (attr store1 < 119.062109131  and attr store1 > 118.262109131 ) or 
       bondedto (attr store1 < 71.338  and attr store1 > 70.538 ) or 
       bondedto (attr store1 < 23.6138908686  and attr store1 > 22.8138908686 ))) 
6 0.1 0.1 peak 2206 volume 18.21454 ppm1 0.793 ppm2 7.356
 
! ############### c13noe.2207 folded +
assi (attr store1 < 7.019 and attr store1 > 6.919 )
     ((attr store1 < 0.823 and attr store1 > 0.763 ) and 
      (bondedto (attr store1 < 119.080109131  and attr store1 > 118.280109131 ) or 
       bondedto (attr store1 < 71.356  and attr store1 > 70.556 ) or 
       bondedto (attr store1 < 23.6318908686  and attr store1 > 22.8318908686 ))) 
6 0.1 0.1 peak 2207 volume 7.52908 ppm1 0.793 ppm2 6.969
 
! ############### c13noe.2208 folded +
assi (attr store1 < 6.815 and attr store1 > 6.715 )
     ((attr store1 < 0.823 and attr store1 > 0.763 ) and 
      (bondedto (attr store1 < 119.062109131  and attr store1 > 118.262109131 ) or 
       bondedto (attr store1 < 71.338  and attr store1 > 70.538 ) or 
       bondedto (attr store1 < 23.6138908686  and attr store1 > 22.8138908686 ))) 
6 0.1 0.1 peak 2208 volume 47.86703 ppm1 0.793 ppm2 6.765
 
! ############### c13noe.2209 folded +
assi (attr store1 < 6.671 and attr store1 > 6.571 )
     ((attr store1 < 0.822 and attr store1 > 0.762 ) and 
      (bondedto (attr store1 < 119.095109131  and attr store1 > 118.295109131 ) or 
       bondedto (attr store1 < 71.371  and attr store1 > 70.571 ) or 
       bondedto (attr store1 < 23.6468908686  and attr store1 > 22.8468908686 ))) 
6 0.1 0.1 peak 2209 volume 7.69715 ppm1 0.792 ppm2 6.621
 
! ############### c13noe.2210 folded +
assi (attr store1 < 6.582 and attr store1 > 6.482 )
     ((attr store1 < 0.823 and attr store1 > 0.763 ) and 
      (bondedto (attr store1 < 119.064109131  and attr store1 > 118.264109131 ) or 
       bondedto (attr store1 < 71.34  and attr store1 > 70.54 ) or 
       bondedto (attr store1 < 23.6158908686  and attr store1 > 22.8158908686 ))) 
6 0.1 0.1 peak 2210 volume 10.57611 ppm1 0.793 ppm2 6.532
 
! ############### c13noe.2211 folded +
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 0.824 and attr store1 > 0.764 ) and 
      (bondedto (attr store1 < 119.050109131  and attr store1 > 118.250109131 ) or 
       bondedto (attr store1 < 71.326  and attr store1 > 70.526 ) or 
       bondedto (attr store1 < 23.6018908686  and attr store1 > 22.8018908686 ))) 
6 0.1 0.1 peak 2211 volume 9.24422 ppm1 0.794 ppm2 4.688
 
! ############### c13noe.2212 folded +
assi (attr store1 < 4.04 and attr store1 > 3.94 )
     ((attr store1 < 0.823 and attr store1 > 0.763 ) and 
      (bondedto (attr store1 < 119.059109131  and attr store1 > 118.259109131 ) or 
       bondedto (attr store1 < 71.335  and attr store1 > 70.535 ) or 
       bondedto (attr store1 < 23.6108908686  and attr store1 > 22.8108908686 ))) 
6 0.1 0.1 peak 2212 volume 65.75002 ppm1 0.793 ppm2 3.990
 
! ############### c13noe.2213 folded +
assi (attr store1 < 0.435 and attr store1 > 0.335 )
     ((attr store1 < 0.823 and attr store1 > 0.763 ) and 
      (bondedto (attr store1 < 119.084109131  and attr store1 > 118.284109131 ) or 
       bondedto (attr store1 < 71.36  and attr store1 > 70.56 ) or 
       bondedto (attr store1 < 23.6358908686  and attr store1 > 22.8358908686 ))) 
6 0.1 0.1 peak 2213 volume 32.41372 ppm1 0.793 ppm2 0.385
 
! ############### c13noe.2214 folded +
assi (attr store1 < 7.869 and attr store1 > 7.769 )
     ((attr store1 < 0.685 and attr store1 > 0.625 ) and 
      (bondedto (attr store1 < 119.099109131  and attr store1 > 118.299109131 ) or 
       bondedto (attr store1 < 71.375  and attr store1 > 70.575 ) or 
       bondedto (attr store1 < 23.6508908686  and attr store1 > 22.8508908686 ))) 
6 0.1 0.1 peak 2214 volume 16.29128 ppm1 0.655 ppm2 7.819
 
! ############### c13noe.2215 folded +
assi (attr store1 < 7.437 and attr store1 > 7.337 )
     ((attr store1 < 0.684 and attr store1 > 0.624 ) and 
      (bondedto (attr store1 < 119.088109131  and attr store1 > 118.288109131 ) or 
       bondedto (attr store1 < 71.364  and attr store1 > 70.564 ) or 
       bondedto (attr store1 < 23.6398908686  and attr store1 > 22.8398908686 ))) 
6 0.1 0.1 peak 2215 volume 11.76884 ppm1 0.654 ppm2 7.387
 
! ############### c13noe.2216 folded +
assi (attr store1 < 6.813 and attr store1 > 6.713 )
     ((attr store1 < 0.685 and attr store1 > 0.625 ) and 
      (bondedto (attr store1 < 119.088109131  and attr store1 > 118.288109131 ) or 
       bondedto (attr store1 < 71.364  and attr store1 > 70.564 ) or 
       bondedto (attr store1 < 23.6398908686  and attr store1 > 22.8398908686 ))) 
6 0.1 0.1 peak 2216 volume 7.94757 ppm1 0.655 ppm2 6.763
 
! ############### c13noe.2217 folded +
assi (attr store1 < 6.578 and attr store1 > 6.478 )
     ((attr store1 < 0.686 and attr store1 > 0.626 ) and 
      (bondedto (attr store1 < 119.078109131  and attr store1 > 118.278109131 ) or 
       bondedto (attr store1 < 71.354  and attr store1 > 70.554 ) or 
       bondedto (attr store1 < 23.6298908686  and attr store1 > 22.8298908686 ))) 
6 0.1 0.1 peak 2217 volume 22.00898 ppm1 0.656 ppm2 6.528
 
! ############### c13noe.2218 folded +
assi (attr store1 < 4.739 and attr store1 > 4.639 )
     ((attr store1 < 0.685 and attr store1 > 0.625 ) and 
      (bondedto (attr store1 < 119.104109131  and attr store1 > 118.304109131 ) or 
       bondedto (attr store1 < 71.38  and attr store1 > 70.58 ) or 
       bondedto (attr store1 < 23.6558908686  and attr store1 > 22.8558908686 ))) 
6 0.1 0.1 peak 2218 volume 14.12941 ppm1 0.655 ppm2 4.689
 
! ############### c13noe.2219 folded +
assi (attr store1 < 4.316 and attr store1 > 4.216 )
     ((attr store1 < 0.685 and attr store1 > 0.625 ) and 
      (bondedto (attr store1 < 119.094109131  and attr store1 > 118.294109131 ) or 
       bondedto (attr store1 < 71.37  and attr store1 > 70.57 ) or 
       bondedto (attr store1 < 23.6458908686  and attr store1 > 22.8458908686 ))) 
6 0.1 0.1 peak 2219 volume 82.96282 ppm1 0.655 ppm2 4.266
 
! ############### c13noe.2220 folded +
assi (attr store1 < 6.976 and attr store1 > 6.876 )
     ((attr store1 < 0.681 and attr store1 > 0.621 ) and 
      (bondedto (attr store1 < 119.087109131  and attr store1 > 118.287109131 ) or 
       bondedto (attr store1 < 71.363  and attr store1 > 70.563 ) or 
       bondedto (attr store1 < 23.6388908686  and attr store1 > 22.8388908686 ))) 
6 0.1 0.1 peak 2220 volume 9.40674 ppm1 0.651 ppm2 6.926
 
! ############### c13noe.2221 folded -
assi (attr store1 < 4.061 and attr store1 > 3.961 )
     ((attr store1 < 4.153 and attr store1 > 4.093 ) and 
      (bondedto (attr store1 < 95.1680545657  and attr store1 > 94.3680545657 ) or 
       bondedto (attr store1 < 142.892163697  and attr store1 > 142.092163697) or 
       bondedto (attr store1 < 47.4439454343  and attr store1 > 46.6439454343 ))) 
6 0.1 0.1 peak 2221 volume 20.25805 ppm1 4.123 ppm2 4.011
 
! ############### c13noe.2222 folded -
assi (attr store1 < 4.181 and attr store1 > 4.081 )
     ((attr store1 < 4.064 and attr store1 > 4.004 ) and 
      (bondedto (attr store1 < 95.1870545657  and attr store1 > 94.3870545657 ) or 
       bondedto (attr store1 < 142.911163697  and attr store1 > 142.111163697) or 
       bondedto (attr store1 < 47.4629454343  and attr store1 > 46.6629454343 ))) 
6 0.1 0.1 peak 2222 volume 13.66585 ppm1 4.034 ppm2 4.131
 
! ############### c13noe.2223 folded -
assi (attr store1 < 2.716 and attr store1 > 2.616 )
     ((attr store1 < 2.791 and attr store1 > 2.731 ) and 
      (bondedto (attr store1 < 95.2340545657  and attr store1 > 94.4340545657 ) or 
       bondedto (attr store1 < 142.958163697  and attr store1 > 142.158163697) or 
       bondedto (attr store1 < 47.5099454343  and attr store1 > 46.7099454343 ))) 
6 0.1 0.1 peak 2223 volume 10.78464 ppm1 2.761 ppm2 2.666
 
! ############### c13noe.2224 folded +
assi (attr store1 < 1.838 and attr store1 > 1.738 )
     ((attr store1 < 4.439 and attr store1 > 4.379 ) and 
      (bondedto (attr store1 < 118.947109131  and attr store1 > 118.147109131 ) or 
       bondedto (attr store1 < 71.223  and attr store1 > 70.423 ) or 
       bondedto (attr store1 < 23.4988908686  and attr store1 > 22.6988908686 ))) 
6 0.1 0.1 peak 2224 volume 17.09328 ppm1 4.409 ppm2 1.788
 
! ############### c13noe.2225 folded +
assi (attr store1 < 1.345 and attr store1 > 1.245 )
     ((attr store1 < 4.438 and attr store1 > 4.378 ) and 
      (bondedto (attr store1 < 118.960109131  and attr store1 > 118.160109131 ) or 
       bondedto (attr store1 < 71.236  and attr store1 > 70.436 ) or 
       bondedto (attr store1 < 23.5118908686  and attr store1 > 22.7118908686 ))) 
6 0.1 0.1 peak 2225 volume 36.70890 ppm1 4.408 ppm2 1.295
 
! ############### c13noe.2226 folded +
assi (attr store1 < 3.718 and attr store1 > 3.618 )
     ((attr store1 < 3.866 and attr store1 > 3.806 ) and 
      (bondedto (attr store1 < 118.994109131  and attr store1 > 118.194109131 ) or 
       bondedto (attr store1 < 71.27  and attr store1 > 70.47 ) or 
       bondedto (attr store1 < 23.5458908686  and attr store1 > 22.7458908686 ))) 
6 0.1 0.1 peak 2226 volume 15.35578 ppm1 3.836 ppm2 3.668
 
! ############### c13noe.2227 folded +
assi (attr store1 < 3.888 and attr store1 > 3.788 )
     ((attr store1 < 3.7 and attr store1 > 3.64 ) and 
      (bondedto (attr store1 < 118.996109131  and attr store1 > 118.196109131 ) or 
       bondedto (attr store1 < 71.272  and attr store1 > 70.472 ) or 
       bondedto (attr store1 < 23.5478908686  and attr store1 > 22.7478908686 ))) 
6 0.1 0.1 peak 2227 volume 15.80845 ppm1 3.670 ppm2 3.838
 
! ############### c13noe.2228 folded +
assi (attr store1 < 3.211 and attr store1 > 3.111 )
     ((attr store1 < 3.286 and attr store1 > 3.226 ) and 
      (bondedto (attr store1 < 119.011109131  and attr store1 > 118.211109131 ) or 
       bondedto (attr store1 < 71.287  and attr store1 > 70.487 ) or 
       bondedto (attr store1 < 23.5628908686  and attr store1 > 22.7628908686 ))) 
6 0.1 0.1 peak 2228 volume 29.91205 ppm1 3.256 ppm2 3.161
 
! ############### c13noe.2229 folded +
assi (attr store1 < 1.858 and attr store1 > 1.758 )
     ((attr store1 < 1.939 and attr store1 > 1.879 ) and 
      (bondedto (attr store1 < 119.010109131  and attr store1 > 118.210109131 ) or 
       bondedto (attr store1 < 71.286  and attr store1 > 70.486 ) or 
       bondedto (attr store1 < 23.5618908686  and attr store1 > 22.7618908686 ))) 
6 0.1 0.1 peak 2229 volume 10.83081 ppm1 1.909 ppm2 1.808
 
! ############### c13noe.2230 folded +
assi (attr store1 < 1.506 and attr store1 > 1.406 )
     ((attr store1 < 1.224 and attr store1 > 1.164 ) and 
      (bondedto (attr store1 < 119.005109131  and attr store1 > 118.205109131 ) or 
       bondedto (attr store1 < 71.281  and attr store1 > 70.481 ) or 
       bondedto (attr store1 < 23.5568908686  and attr store1 > 22.7568908686 ))) 
6 0.1 0.1 peak 2230 volume 12.34079 ppm1 1.194 ppm2 1.456
 
! ############### c13noe.2231 folded +
assi (attr store1 < 7.222 and attr store1 > 7.122 )
     ((attr store1 < 1.145 and attr store1 > 1.085 ) and 
      (bondedto (attr store1 < 118.966109131  and attr store1 > 118.166109131 ) or 
       bondedto (attr store1 < 71.242  and attr store1 > 70.442 ) or 
       bondedto (attr store1 < 23.5178908686  and attr store1 > 22.7178908686 ))) 
6 0.1 0.1 peak 2231 volume 9.61105 ppm1 1.115 ppm2 7.172
 
! ############### c13noe.2232 folded +
assi (attr store1 < 5.752 and attr store1 > 5.652 )
     ((attr store1 < 1.145 and attr store1 > 1.085 ) and 
      (bondedto (attr store1 < 118.966109131  and attr store1 > 118.166109131 ) or 
       bondedto (attr store1 < 71.242  and attr store1 > 70.442 ) or 
       bondedto (attr store1 < 23.5178908686  and attr store1 > 22.7178908686 ))) 
6 0.1 0.1 peak 2232 volume 9.69728 ppm1 1.115 ppm2 5.702
 
! ############### c13noe.2233 folded +
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 1.146 and attr store1 > 1.086 ) and 
      (bondedto (attr store1 < 118.977109131  and attr store1 > 118.177109131 ) or 
       bondedto (attr store1 < 71.253  and attr store1 > 70.453 ) or 
       bondedto (attr store1 < 23.5288908686  and attr store1 > 22.7288908686 ))) 
6 0.1 0.1 peak 2233 volume 26.73618 ppm1 1.116 ppm2 4.688
 
! ############### c13noe.2234 folded +
assi (attr store1 < 4.548 and attr store1 > 4.448 )
     ((attr store1 < 1.145 and attr store1 > 1.085 ) and 
      (bondedto (attr store1 < 118.966109131  and attr store1 > 118.166109131 ) or 
       bondedto (attr store1 < 71.242  and attr store1 > 70.442 ) or 
       bondedto (attr store1 < 23.5178908686  and attr store1 > 22.7178908686 ))) 
6 0.1 0.1 peak 2234 volume 59.71095 ppm1 1.115 ppm2 4.498
 
! ############### c13noe.2235 folded +
assi (attr store1 < 3.523 and attr store1 > 3.423 )
     ((attr store1 < 1.148 and attr store1 > 1.088 ) and 
      (bondedto (attr store1 < 118.966109131  and attr store1 > 118.166109131 ) or 
       bondedto (attr store1 < 71.242  and attr store1 > 70.442 ) or 
       bondedto (attr store1 < 23.5178908686  and attr store1 > 22.7178908686 ))) 
6 0.1 0.1 peak 2235 volume 31.65948 ppm1 1.118 ppm2 3.473
 
! ############### c13noe.2236 folded +
assi (attr store1 < 8.631 and attr store1 > 8.531 )
     ((attr store1 < 1.143 and attr store1 > 1.083 ) and 
      (bondedto (attr store1 < 118.960109131  and attr store1 > 118.160109131 ) or 
       bondedto (attr store1 < 71.236  and attr store1 > 70.436 ) or 
       bondedto (attr store1 < 23.5118908686  and attr store1 > 22.7118908686 ))) 
6 0.1 0.1 peak 2236 volume 7.62093 ppm1 1.113 ppm2 8.581
 
! ############### c13noe.2237 folded +
assi (attr store1 < 8.713 and attr store1 > 8.613 )
     ((attr store1 < 0.983 and attr store1 > 0.923 ) and 
      (bondedto (attr store1 < 118.974109131  and attr store1 > 118.174109131 ) or 
       bondedto (attr store1 < 71.25  and attr store1 > 70.45 ) or 
       bondedto (attr store1 < 23.5258908686  and attr store1 > 22.7258908686 ))) 
6 0.1 0.1 peak 2237 volume 10.92797 ppm1 0.953 ppm2 8.663
 
! ############### c13noe.2238 folded -
assi (attr store1 < 1.693 and attr store1 > 1.593 )
     ((attr store1 < 1.525 and attr store1 > 1.465 ) and 
      (bondedto (attr store1 < 95.0950545657  and attr store1 > 94.2950545657 ) or 
       bondedto (attr store1 < 142.819163697  and attr store1 > 142.019163697) or 
       bondedto (attr store1 < 47.3709454343  and attr store1 > 46.5709454343 ))) 
6 0.1 0.1 peak 2238 volume 11.80095 ppm1 1.495 ppm2 1.643
 
! ############### c13noe.2239 folded +
assi (attr store1 < 4.727 and attr store1 > 4.627 )
     ((attr store1 < 4.437 and attr store1 > 4.377 ) and 
      (bondedto (attr store1 < 118.914109131  and attr store1 > 118.114109131 ) or 
       bondedto (attr store1 < 71.19  and attr store1 > 70.39 ) or 
       bondedto (attr store1 < 23.4658908686  and attr store1 > 22.6658908686 ))) 
6 0.1 0.1 peak 2239 volume 28.71695 ppm1 4.407 ppm2 4.677
 
! ############### c13noe.2240 folded +
assi (attr store1 < 8.483 and attr store1 > 8.383 )
     ((attr store1 < 1.145 and attr store1 > 1.085 ) and 
      (bondedto (attr store1 < 118.903109131  and attr store1 > 118.103109131 ) or 
       bondedto (attr store1 < 71.179  and attr store1 > 70.379 ) or 
       bondedto (attr store1 < 23.4548908686  and attr store1 > 22.6548908686 ))) 
6 0.1 0.1 peak 2240 volume 21.02451 ppm1 1.115 ppm2 8.433
 
! ############### c13noe.2241 folded +
assi (attr store1 < 8.039 and attr store1 > 7.939 )
     ((attr store1 < 1.146 and attr store1 > 1.086 ) and 
      (bondedto (attr store1 < 118.863109131  and attr store1 > 118.063109131 ) or 
       bondedto (attr store1 < 71.139  and attr store1 > 70.339 ) or 
       bondedto (attr store1 < 23.4148908686  and attr store1 > 22.6148908686 ))) 
6 0.1 0.1 peak 2241 volume 18.54685 ppm1 1.116 ppm2 7.989
 
! ############### c13noe.2242 folded +
assi (attr store1 < 7.039 and attr store1 > 6.939 )
     ((attr store1 < 1.146 and attr store1 > 1.086 ) and 
      (bondedto (attr store1 < 118.866109131  and attr store1 > 118.066109131 ) or 
       bondedto (attr store1 < 71.142  and attr store1 > 70.342 ) or 
       bondedto (attr store1 < 23.4178908686  and attr store1 > 22.6178908686 ))) 
6 0.1 0.1 peak 2242 volume 17.38134 ppm1 1.116 ppm2 6.989
 
! ############### c13noe.2243 folded +
assi (attr store1 < 4.286 and attr store1 > 4.186 )
     ((attr store1 < 1.147 and attr store1 > 1.087 ) and 
      (bondedto (attr store1 < 118.870109131  and attr store1 > 118.070109131 ) or 
       bondedto (attr store1 < 71.146  and attr store1 > 70.346 ) or 
       bondedto (attr store1 < 23.4218908686  and attr store1 > 22.6218908686 ))) 
6 0.1 0.1 peak 2243 volume 15.28159 ppm1 1.117 ppm2 4.236
 
! ############### c13noe.2244 folded +
assi (attr store1 < 4.141 and attr store1 > 4.041 )
     ((attr store1 < 1.147 and attr store1 > 1.087 ) and 
      (bondedto (attr store1 < 118.887109131  and attr store1 > 118.087109131 ) or 
       bondedto (attr store1 < 71.163  and attr store1 > 70.363 ) or 
       bondedto (attr store1 < 23.4388908686  and attr store1 > 22.6388908686 ))) 
6 0.1 0.1 peak 2244 volume 21.40241 ppm1 1.117 ppm2 4.091
 
! ############### c13noe.2245 folded +
assi (attr store1 < 4.052 and attr store1 > 3.952 )
     ((attr store1 < 1.147 and attr store1 > 1.087 ) and 
      (bondedto (attr store1 < 118.881109131  and attr store1 > 118.081109131 ) or 
       bondedto (attr store1 < 71.157  and attr store1 > 70.357 ) or 
       bondedto (attr store1 < 23.4328908686  and attr store1 > 22.6328908686 ))) 
6 0.1 0.1 peak 2245 volume 70.87041 ppm1 1.117 ppm2 4.002
 
! ############### c13noe.2246 folded +
assi (attr store1 < 3.064 and attr store1 > 2.964 )
     ((attr store1 < 1.147 and attr store1 > 1.087 ) and 
      (bondedto (attr store1 < 118.879109131  and attr store1 > 118.079109131 ) or 
       bondedto (attr store1 < 71.155  and attr store1 > 70.355 ) or 
       bondedto (attr store1 < 23.4308908686  and attr store1 > 22.6308908686 ))) 
6 0.1 0.1 peak 2246 volume 23.82633 ppm1 1.117 ppm2 3.014
 
! ############### c13noe.2247 folded +
assi (attr store1 < 8.636 and attr store1 > 8.536 )
     ((attr store1 < 0.983 and attr store1 > 0.923 ) and 
      (bondedto (attr store1 < 118.861109131  and attr store1 > 118.061109131 ) or 
       bondedto (attr store1 < 71.137  and attr store1 > 70.337 ) or 
       bondedto (attr store1 < 23.4128908686  and attr store1 > 22.6128908686 ))) 
6 0.1 0.1 peak 2247 volume 10.12371 ppm1 0.953 ppm2 8.586
 
! ############### c13noe.2248 folded +
assi (attr store1 < 8.046 and attr store1 > 7.946 )
     ((attr store1 < 0.984 and attr store1 > 0.924 ) and 
      (bondedto (attr store1 < 118.847109131  and attr store1 > 118.047109131 ) or 
       bondedto (attr store1 < 71.123  and attr store1 > 70.323 ) or 
       bondedto (attr store1 < 23.3988908686  and attr store1 > 22.5988908686 ))) 
6 0.1 0.1 peak 2248 volume 51.46922 ppm1 0.954 ppm2 7.996
 
! ############### c13noe.2249 folded +
assi (attr store1 < 7.551 and attr store1 > 7.451 )
     ((attr store1 < 0.984 and attr store1 > 0.924 ) and 
      (bondedto (attr store1 < 118.859109131  and attr store1 > 118.059109131 ) or 
       bondedto (attr store1 < 71.135  and attr store1 > 70.335 ) or 
       bondedto (attr store1 < 23.4108908686  and attr store1 > 22.6108908686 ))) 
6 0.1 0.1 peak 2249 volume 9.23559 ppm1 0.954 ppm2 7.501
 
! ############### c13noe.2250 folded +
assi (attr store1 < 3.526 and attr store1 > 3.426 )
     ((attr store1 < 0.984 and attr store1 > 0.924 ) and 
      (bondedto (attr store1 < 118.860109131  and attr store1 > 118.060109131 ) or 
       bondedto (attr store1 < 71.136  and attr store1 > 70.336 ) or 
       bondedto (attr store1 < 23.4118908686  and attr store1 > 22.6118908686 ))) 
6 0.1 0.1 peak 2250 volume 56.19558 ppm1 0.954 ppm2 3.476
 
! ############### c13noe.2251 folded +
assi (attr store1 < 3.211 and attr store1 > 3.111 )
     ((attr store1 < 3.283 and attr store1 > 3.223 ) and 
      (bondedto (attr store1 < 118.774109131  and attr store1 > 117.974109131 ) or 
       bondedto (attr store1 < 71.05  and attr store1 > 70.25 ) or 
       bondedto (attr store1 < 23.3258908686  and attr store1 > 22.5258908686 ))) 
6 0.1 0.1 peak 2251 volume 27.39714 ppm1 3.253 ppm2 3.161
 
! ############### c13noe.2252 folded +
assi (attr store1 < 3.304 and attr store1 > 3.204 )
     ((attr store1 < 3.191 and attr store1 > 3.131 ) and 
      (bondedto (attr store1 < 118.825109131  and attr store1 > 118.025109131 ) or 
       bondedto (attr store1 < 71.101  and attr store1 > 70.301 ) or 
       bondedto (attr store1 < 23.3768908686  and attr store1 > 22.5768908686 ))) 
6 0.1 0.1 peak 2252 volume 34.75661 ppm1 3.161 ppm2 3.254
 
! ############### c13noe.2253 folded +
assi (attr store1 < 1.165 and attr store1 > 1.065 )
     ((attr store1 < 2.328 and attr store1 > 2.268 ) and 
      (bondedto (attr store1 < 118.799109131  and attr store1 > 117.999109131 ) or 
       bondedto (attr store1 < 71.075  and attr store1 > 70.275 ) or 
       bondedto (attr store1 < 23.3508908686  and attr store1 > 22.5508908686 ))) 
6 0.1 0.1 peak 2253 volume 11.76125 ppm1 2.298 ppm2 1.115
 
! ############### c13noe.2254 folded +
assi (attr store1 < 1.165 and attr store1 > 1.065 )
     ((attr store1 < 1.779 and attr store1 > 1.719 ) and 
      (bondedto (attr store1 < 118.832109131  and attr store1 > 118.032109131 ) or 
       bondedto (attr store1 < 71.108  and attr store1 > 70.308 ) or 
       bondedto (attr store1 < 23.3838908686  and attr store1 > 22.5838908686 ))) 
6 0.1 0.1 peak 2254 volume 11.12178 ppm1 1.749 ppm2 1.115
 
! ############### c13noe.2255 folded +
assi (attr store1 < 0.911 and attr store1 > 0.811 )
     ((attr store1 < 1.527 and attr store1 > 1.467 ) and 
      (bondedto (attr store1 < 118.746109131  and attr store1 > 117.946109131 ) or 
       bondedto (attr store1 < 71.022  and attr store1 > 70.222 ) or 
       bondedto (attr store1 < 23.2978908686  and attr store1 > 22.4978908686 ))) 
6 0.1 0.1 peak 2255 volume 13.64180 ppm1 1.497 ppm2 0.861
 
! ############### c13noe.2256 folded +
assi (attr store1 < 1.265 and attr store1 > 1.165 )
     ((attr store1 < 1.478 and attr store1 > 1.418 ) and 
      (bondedto (attr store1 < 118.782109131  and attr store1 > 117.982109131 ) or 
       bondedto (attr store1 < 71.058  and attr store1 > 70.258 ) or 
       bondedto (attr store1 < 23.3338908686  and attr store1 > 22.5338908686 ))) 
6 0.1 0.1 peak 2256 volume 15.93667 ppm1 1.448 ppm2 1.215
 
! ############### c13noe.2257 folded +
assi (attr store1 < 1.166 and attr store1 > 1.066 )
     ((attr store1 < 1.466 and attr store1 > 1.406 ) and 
      (bondedto (attr store1 < 118.819109131  and attr store1 > 118.019109131 ) or 
       bondedto (attr store1 < 71.095  and attr store1 > 70.295 ) or 
       bondedto (attr store1 < 23.3708908686  and attr store1 > 22.5708908686 ))) 
6 0.1 0.1 peak 2257 volume 12.27415 ppm1 1.436 ppm2 1.116
 
! ############### c13noe.2258 folded +
assi (attr store1 < 8.411 and attr store1 > 8.311 )
     ((attr store1 < 1.147 and attr store1 > 1.087 ) and 
      (bondedto (attr store1 < 118.809109131  and attr store1 > 118.009109131 ) or 
       bondedto (attr store1 < 71.085  and attr store1 > 70.285 ) or 
       bondedto (attr store1 < 23.3608908686  and attr store1 > 22.5608908686 ))) 
6 0.1 0.1 peak 2258 volume 32.90962 ppm1 1.117 ppm2 8.361
 
! ############### c13noe.2259 folded +
assi (attr store1 < 8.231 and attr store1 > 8.131 )
     ((attr store1 < 1.145 and attr store1 > 1.085 ) and 
      (bondedto (attr store1 < 118.798109131  and attr store1 > 117.998109131 ) or 
       bondedto (attr store1 < 71.074  and attr store1 > 70.274 ) or 
       bondedto (attr store1 < 23.3498908686  and attr store1 > 22.5498908686 ))) 
6 0.1 0.1 peak 2259 volume 88.98620 ppm1 1.115 ppm2 8.181
 
! ############### c13noe.2260 folded +
assi (attr store1 < 7.803 and attr store1 > 7.703 )
     ((attr store1 < 1.146 and attr store1 > 1.086 ) and 
      (bondedto (attr store1 < 118.826109131  and attr store1 > 118.026109131 ) or 
       bondedto (attr store1 < 71.102  and attr store1 > 70.302 ) or 
       bondedto (attr store1 < 23.3778908686  and attr store1 > 22.5778908686 ))) 
6 0.1 0.1 peak 2260 volume 12.48344 ppm1 1.116 ppm2 7.753
 
! ############### c13noe.2261 folded +
assi (attr store1 < 3.835 and attr store1 > 3.735 )
     ((attr store1 < 1.146 and attr store1 > 1.086 ) and 
      (bondedto (attr store1 < 118.798109131  and attr store1 > 117.998109131 ) or 
       bondedto (attr store1 < 71.074  and attr store1 > 70.274 ) or 
       bondedto (attr store1 < 23.3498908686  and attr store1 > 22.5498908686 ))) 
6 0.1 0.1 peak 2261 volume 103.96107 ppm1 1.116 ppm2 3.785
 
! ############### c13noe.2262 folded +
assi (attr store1 < 7.038 and attr store1 > 6.938 )
     ((attr store1 < 0.991 and attr store1 > 0.931 ) and 
      (bondedto (attr store1 < 118.777109131  and attr store1 > 117.977109131 ) or 
       bondedto (attr store1 < 71.053  and attr store1 > 70.253 ) or 
       bondedto (attr store1 < 23.3288908686  and attr store1 > 22.5288908686 ))) 
6 0.1 0.1 peak 2262 volume 10.06223 ppm1 0.961 ppm2 6.988
 
! ############### c13noe.2263 folded +
assi (attr store1 < 8.477 and attr store1 > 8.377 )
     ((attr store1 < 0.985 and attr store1 > 0.925 ) and 
      (bondedto (attr store1 < 118.801109131  and attr store1 > 118.001109131 ) or 
       bondedto (attr store1 < 71.077  and attr store1 > 70.277 ) or 
       bondedto (attr store1 < 23.3528908686  and attr store1 > 22.5528908686 ))) 
6 0.1 0.1 peak 2263 volume 26.93405 ppm1 0.955 ppm2 8.427
 
! ############### c13noe.2264 folded +
assi (attr store1 < 7.469 and attr store1 > 7.369 )
     ((attr store1 < 0.987 and attr store1 > 0.927 ) and 
      (bondedto (attr store1 < 118.807109131  and attr store1 > 118.007109131 ) or 
       bondedto (attr store1 < 71.083  and attr store1 > 70.283 ) or 
       bondedto (attr store1 < 23.3588908686  and attr store1 > 22.5588908686 ))) 
6 0.1 0.1 peak 2264 volume 7.56895 ppm1 0.957 ppm2 7.419
 
! ############### c13noe.2265 folded +
assi (attr store1 < 6.844 and attr store1 > 6.744 )
     ((attr store1 < 0.987 and attr store1 > 0.927 ) and 
      (bondedto (attr store1 < 118.806109131  and attr store1 > 118.006109131 ) or 
       bondedto (attr store1 < 71.082  and attr store1 > 70.282 ) or 
       bondedto (attr store1 < 23.3578908686  and attr store1 > 22.5578908686 ))) 
6 0.1 0.1 peak 2265 volume 6.79237 ppm1 0.957 ppm2 6.794
 
! ############### c13noe.2266 folded +
assi (attr store1 < 8.884 and attr store1 > 8.784 )
     ((attr store1 < 0.981 and attr store1 > 0.921 ) and 
      (bondedto (attr store1 < 118.795109131  and attr store1 > 117.995109131 ) or 
       bondedto (attr store1 < 71.071  and attr store1 > 70.271 ) or 
       bondedto (attr store1 < 23.3468908686  and attr store1 > 22.5468908686 ))) 
6 0.1 0.1 peak 2266 volume 10.06229 ppm1 0.951 ppm2 8.834
 
! ############### c13noe.2267 folded +
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 0.984 and attr store1 > 0.924 ) and 
      (bondedto (attr store1 < 118.822109131  and attr store1 > 118.022109131 ) or 
       bondedto (attr store1 < 71.098  and attr store1 > 70.298 ) or 
       bondedto (attr store1 < 23.3738908686  and attr store1 > 22.5738908686 ))) 
6 0.1 0.1 peak 2267 volume 38.88084 ppm1 0.954 ppm2 4.688
 
! ############### c13noe.2268 folded +
assi (attr store1 < 3.638 and attr store1 > 3.538 )
     ((attr store1 < 0.983 and attr store1 > 0.923 ) and 
      (bondedto (attr store1 < 118.756109131  and attr store1 > 117.956109131 ) or 
       bondedto (attr store1 < 71.032  and attr store1 > 70.232 ) or 
       bondedto (attr store1 < 23.3078908686  and attr store1 > 22.5078908686 ))) 
6 0.1 0.1 peak 2268 volume 36.77129 ppm1 0.953 ppm2 3.588
 
! ############### c13noe.2269 folded +
assi (attr store1 < 8.854 and attr store1 > 8.754 )
     ((attr store1 < 0.893 and attr store1 > 0.833 ) and 
      (bondedto (attr store1 < 118.786109131  and attr store1 > 117.986109131 ) or 
       bondedto (attr store1 < 71.062  and attr store1 > 70.262 ) or 
       bondedto (attr store1 < 23.3378908686  and attr store1 > 22.5378908686 ))) 
6 0.1 0.1 peak 2269 volume 31.24809 ppm1 0.863 ppm2 8.804
 
! ############### c13noe.2270 folded +
assi (attr store1 < 8.7 and attr store1 > 8.6 )
     ((attr store1 < 0.895 and attr store1 > 0.835 ) and 
      (bondedto (attr store1 < 118.786109131  and attr store1 > 117.986109131 ) or 
       bondedto (attr store1 < 71.062  and attr store1 > 70.262 ) or 
       bondedto (attr store1 < 23.3378908686  and attr store1 > 22.5378908686 ))) 
6 0.1 0.1 peak 2270 volume 8.72583 ppm1 0.865 ppm2 8.650
 
! ############### c13noe.2271 folded +
assi (attr store1 < 8.625 and attr store1 > 8.525 )
     ((attr store1 < 0.894 and attr store1 > 0.834 ) and 
      (bondedto (attr store1 < 118.812109131  and attr store1 > 118.012109131 ) or 
       bondedto (attr store1 < 71.088  and attr store1 > 70.288 ) or 
       bondedto (attr store1 < 23.3638908686  and attr store1 > 22.5638908686 ))) 
6 0.1 0.1 peak 2271 volume 14.15631 ppm1 0.864 ppm2 8.575
 
! ############### c13noe.2272 folded +
assi (attr store1 < 7.867 and attr store1 > 7.767 )
     ((attr store1 < 0.894 and attr store1 > 0.834 ) and 
      (bondedto (attr store1 < 118.768109131  and attr store1 > 117.968109131 ) or 
       bondedto (attr store1 < 71.044  and attr store1 > 70.244 ) or 
       bondedto (attr store1 < 23.3198908686  and attr store1 > 22.5198908686 ))) 
6 0.1 0.1 peak 2272 volume 16.30472 ppm1 0.864 ppm2 7.817
 
! ############### c13noe.2273 folded +
assi (attr store1 < 4.167 and attr store1 > 4.067 )
     ((attr store1 < 0.894 and attr store1 > 0.834 ) and 
      (bondedto (attr store1 < 118.796109131  and attr store1 > 117.996109131 ) or 
       bondedto (attr store1 < 71.072  and attr store1 > 70.272 ) or 
       bondedto (attr store1 < 23.3478908686  and attr store1 > 22.5478908686 ))) 
6 0.1 0.1 peak 2273 volume 106.04184 ppm1 0.864 ppm2 4.117
 
! ############### c13noe.2274 folded +
assi (attr store1 < 3.261 and attr store1 > 3.161 )
     ((attr store1 < 0.894 and attr store1 > 0.834 ) and 
      (bondedto (attr store1 < 118.760109131  and attr store1 > 117.960109131 ) or 
       bondedto (attr store1 < 71.036  and attr store1 > 70.236 ) or 
       bondedto (attr store1 < 23.3118908686  and attr store1 > 22.5118908686 ))) 
6 0.1 0.1 peak 2274 volume 12.00249 ppm1 0.864 ppm2 3.211
 
! ############### c13noe.2275 folded +
assi (attr store1 < 3.443 and attr store1 > 3.343 )
     ((attr store1 < 0.866 and attr store1 > 0.806 ) and 
      (bondedto (attr store1 < 118.758109131  and attr store1 > 117.958109131 ) or 
       bondedto (attr store1 < 71.034  and attr store1 > 70.234 ) or 
       bondedto (attr store1 < 23.3098908686  and attr store1 > 22.5098908686 ))) 
6 0.1 0.1 peak 2275 volume 34.52491 ppm1 0.836 ppm2 3.393
 
! ############### c13noe.2276 folded +
assi (attr store1 < 2.241 and attr store1 > 2.141 )
     ((attr store1 < 2.318 and attr store1 > 2.258 ) and 
      (bondedto (attr store1 < 118.713109131  and attr store1 > 117.913109131 ) or 
       bondedto (attr store1 < 70.989  and attr store1 > 70.189 ) or 
       bondedto (attr store1 < 23.2648908686  and attr store1 > 22.4648908686 ))) 
6 0.1 0.1 peak 2276 volume 19.58348 ppm1 2.288 ppm2 2.191
 
! ############### c13noe.2277 folded +
assi (attr store1 < 8.488 and attr store1 > 8.388 )
     ((attr store1 < 0.898 and attr store1 > 0.838 ) and 
      (bondedto (attr store1 < 118.725109131  and attr store1 > 117.925109131 ) or 
       bondedto (attr store1 < 71.001  and attr store1 > 70.201 ) or 
       bondedto (attr store1 < 23.2768908686  and attr store1 > 22.4768908686 ))) 
6 0.1 0.1 peak 2277 volume 25.77492 ppm1 0.868 ppm2 8.438
 
! ############### c13noe.2278 folded +
assi (attr store1 < 7.636 and attr store1 > 7.536 )
     ((attr store1 < 0.897 and attr store1 > 0.837 ) and 
      (bondedto (attr store1 < 118.681109131  and attr store1 > 117.881109131 ) or 
       bondedto (attr store1 < 70.957  and attr store1 > 70.157 ) or 
       bondedto (attr store1 < 23.2328908686  and attr store1 > 22.4328908686 ))) 
6 0.1 0.1 peak 2278 volume 8.37912 ppm1 0.867 ppm2 7.586
 
! ############### c13noe.2279 folded +
assi (attr store1 < 3.616 and attr store1 > 3.516 )
     ((attr store1 < 0.899 and attr store1 > 0.839 ) and 
      (bondedto (attr store1 < 118.710109131  and attr store1 > 117.910109131 ) or 
       bondedto (attr store1 < 70.986  and attr store1 > 70.186 ) or 
       bondedto (attr store1 < 23.2618908686  and attr store1 > 22.4618908686 ))) 
6 0.1 0.1 peak 2279 volume 24.95694 ppm1 0.869 ppm2 3.566
 
! ############### c13noe.2280 folded +
assi (attr store1 < 3.393 and attr store1 > 3.293 )
     ((attr store1 < 0.9 and attr store1 > 0.84 ) and 
      (bondedto (attr store1 < 118.720109131  and attr store1 > 117.920109131 ) or 
       bondedto (attr store1 < 70.996  and attr store1 > 70.196 ) or 
       bondedto (attr store1 < 23.2718908686  and attr store1 > 22.4718908686 ))) 
6 0.1 0.1 peak 2280 volume 34.10428 ppm1 0.870 ppm2 3.343
 
! ############### c13noe.2281 folded +
assi (attr store1 < 4.735 and attr store1 > 4.635 )
     ((attr store1 < 0.894 and attr store1 > 0.834 ) and 
      (bondedto (attr store1 < 118.696109131  and attr store1 > 117.896109131 ) or 
       bondedto (attr store1 < 70.972  and attr store1 > 70.172 ) or 
       bondedto (attr store1 < 23.2478908686  and attr store1 > 22.4478908686 ))) 
6 0.1 0.1 peak 2281 volume 24.59313 ppm1 0.864 ppm2 4.685
 
! ############### c13noe.2282 folded +
assi (attr store1 < 4.069 and attr store1 > 3.969 )
     ((attr store1 < 0.895 and attr store1 > 0.835 ) and 
      (bondedto (attr store1 < 118.693109131  and attr store1 > 117.893109131 ) or 
       bondedto (attr store1 < 70.969  and attr store1 > 70.169 ) or 
       bondedto (attr store1 < 23.2448908686  and attr store1 > 22.4448908686 ))) 
6 0.1 0.1 peak 2282 volume 52.69614 ppm1 0.865 ppm2 4.019
 
! ############### c13noe.2283 folded +
assi (attr store1 < 8.498 and attr store1 > 8.398 )
     ((attr store1 < 0.863 and attr store1 > 0.803 ) and 
      (bondedto (attr store1 < 118.728109131  and attr store1 > 117.928109131 ) or 
       bondedto (attr store1 < 71.004  and attr store1 > 70.204 ) or 
       bondedto (attr store1 < 23.2798908686  and attr store1 > 22.4798908686 ))) 
6 0.1 0.1 peak 2283 volume 34.32439 ppm1 0.833 ppm2 8.448
 
! ############### c13noe.2284 folded +
assi (attr store1 < 7.859 and attr store1 > 7.759 )
     ((attr store1 < 0.861 and attr store1 > 0.801 ) and 
      (bondedto (attr store1 < 118.737109131  and attr store1 > 117.937109131 ) or 
       bondedto (attr store1 < 71.013  and attr store1 > 70.213 ) or 
       bondedto (attr store1 < 23.2888908686  and attr store1 > 22.4888908686 ))) 
6 0.1 0.1 peak 2284 volume 17.48697 ppm1 0.831 ppm2 7.809
 
! ############### c13noe.2285 folded +
assi (attr store1 < 5.509 and attr store1 > 5.409 )
     ((attr store1 < 0.86 and attr store1 > 0.8 ) and 
      (bondedto (attr store1 < 118.741109131  and attr store1 > 117.941109131 ) or 
       bondedto (attr store1 < 71.017  and attr store1 > 70.217 ) or 
       bondedto (attr store1 < 23.2928908686  and attr store1 > 22.4928908686 ))) 
6 0.1 0.1 peak 2285 volume 18.45491 ppm1 0.830 ppm2 5.459
 
! ############### c13noe.2286 folded +
assi (attr store1 < 4.483 and attr store1 > 4.383 )
     ((attr store1 < 0.863 and attr store1 > 0.803 ) and 
      (bondedto (attr store1 < 118.725109131  and attr store1 > 117.925109131 ) or 
       bondedto (attr store1 < 71.001  and attr store1 > 70.201 ) or 
       bondedto (attr store1 < 23.2768908686  and attr store1 > 22.4768908686 ))) 
6 0.1 0.1 peak 2286 volume 13.66811 ppm1 0.833 ppm2 4.433
 
! ############### c13noe.2287 folded +
assi (attr store1 < 8.981 and attr store1 > 8.881 )
     ((attr store1 < 0.844 and attr store1 > 0.784 ) and 
      (bondedto (attr store1 < 118.675109131  and attr store1 > 117.875109131 ) or 
       bondedto (attr store1 < 70.951  and attr store1 > 70.151 ) or 
       bondedto (attr store1 < 23.2268908686  and attr store1 > 22.4268908686 ))) 
6 0.1 0.1 peak 2287 volume 18.95223 ppm1 0.814 ppm2 8.931
 
! ############### c13noe.2288 folded +
assi (attr store1 < 8.141 and attr store1 > 8.041 )
     ((attr store1 < 0.842 and attr store1 > 0.782 ) and 
      (bondedto (attr store1 < 118.680109131  and attr store1 > 117.880109131 ) or 
       bondedto (attr store1 < 70.956  and attr store1 > 70.156 ) or 
       bondedto (attr store1 < 23.2318908686  and attr store1 > 22.4318908686 ))) 
6 0.1 0.1 peak 2288 volume 7.50139 ppm1 0.812 ppm2 8.091
 
! ############### c13noe.2289 folded +
assi (attr store1 < 3.856 and attr store1 > 3.756 )
     ((attr store1 < 0.846 and attr store1 > 0.786 ) and 
      (bondedto (attr store1 < 118.657109131  and attr store1 > 117.857109131 ) or 
       bondedto (attr store1 < 70.933  and attr store1 > 70.133 ) or 
       bondedto (attr store1 < 23.2088908686  and attr store1 > 22.4088908686 ))) 
6 0.1 0.1 peak 2289 volume 59.34234 ppm1 0.816 ppm2 3.806
 
! ############### c13noe.2290 folded +
assi (attr store1 < 9.229 and attr store1 > 9.129 )
     ((attr store1 < 0.895 and attr store1 > 0.835 ) and 
      (bondedto (attr store1 < 118.630109131  and attr store1 > 117.830109131 ) or 
       bondedto (attr store1 < 70.906  and attr store1 > 70.106 ) or 
       bondedto (attr store1 < 23.1818908686  and attr store1 > 22.3818908686 ))) 
6 0.1 0.1 peak 2290 volume 19.10033 ppm1 0.865 ppm2 9.179
 
! ############### c13noe.2291 folded +
assi (attr store1 < 8.03 and attr store1 > 7.93 )
     ((attr store1 < 0.895 and attr store1 > 0.835 ) and 
      (bondedto (attr store1 < 118.638109131  and attr store1 > 117.838109131 ) or 
       bondedto (attr store1 < 70.914  and attr store1 > 70.114 ) or 
       bondedto (attr store1 < 23.1898908686  and attr store1 > 22.3898908686 ))) 
6 0.1 0.1 peak 2291 volume 79.63375 ppm1 0.865 ppm2 7.980
 
! ############### c13noe.2292 folded +
assi (attr store1 < 7.548 and attr store1 > 7.448 )
     ((attr store1 < 0.897 and attr store1 > 0.837 ) and 
      (bondedto (attr store1 < 118.643109131  and attr store1 > 117.843109131 ) or 
       bondedto (attr store1 < 70.919  and attr store1 > 70.119 ) or 
       bondedto (attr store1 < 23.1948908686  and attr store1 > 22.3948908686 ))) 
6 0.1 0.1 peak 2292 volume 12.74288 ppm1 0.867 ppm2 7.498
 
! ############### c13noe.2293 folded +
assi (attr store1 < 7.033 and attr store1 > 6.933 )
     ((attr store1 < 0.895 and attr store1 > 0.835 ) and 
      (bondedto (attr store1 < 118.643109131  and attr store1 > 117.843109131 ) or 
       bondedto (attr store1 < 70.919  and attr store1 > 70.119 ) or 
       bondedto (attr store1 < 23.1948908686  and attr store1 > 22.3948908686 ))) 
6 0.1 0.1 peak 2293 volume 21.07919 ppm1 0.865 ppm2 6.983
 
! ############### c13noe.2294 folded +
assi (attr store1 < 3.542 and attr store1 > 3.442 )
     ((attr store1 < 0.895 and attr store1 > 0.835 ) and 
      (bondedto (attr store1 < 118.641109131  and attr store1 > 117.841109131 ) or 
       bondedto (attr store1 < 70.917  and attr store1 > 70.117 ) or 
       bondedto (attr store1 < 23.1928908686  and attr store1 > 22.3928908686 ))) 
6 0.1 0.1 peak 2294 volume 77.67401 ppm1 0.865 ppm2 3.492
 
! ############### c13noe.2295 folded -
assi (attr store1 < 3.89 and attr store1 > 3.79 )
     ((attr store1 < 3.941 and attr store1 > 3.881 ) and 
      (bondedto (attr store1 < 94.7490545657  and attr store1 > 93.9490545657 ) or 
       bondedto (attr store1 < 142.473163697  and attr store1 > 141.673163697) or 
       bondedto (attr store1 < 47.0249454343  and attr store1 > 46.2249454343 ))) 
6 0.1 0.1 peak 2295 volume 37.19872 ppm1 3.911 ppm2 3.840
 
! ############### c13noe.2296 folded -
assi (attr store1 < 3.835 and attr store1 > 3.735 )
     ((attr store1 < 3.889 and attr store1 > 3.829 ) and 
      (bondedto (attr store1 < 94.7380545657  and attr store1 > 93.9380545657 ) or 
       bondedto (attr store1 < 142.462163697  and attr store1 > 141.662163697) or 
       bondedto (attr store1 < 47.0139454343  and attr store1 > 46.2139454343 ))) 
6 0.1 0.1 peak 2296 volume 15.53507 ppm1 3.859 ppm2 3.785
 
! ############### c13noe.2297 folded -
assi (attr store1 < 3.96 and attr store1 > 3.86 )
     ((attr store1 < 3.871 and attr store1 > 3.811 ) and 
      (bondedto (attr store1 < 94.7670545657  and attr store1 > 93.9670545657 ) or 
       bondedto (attr store1 < 142.491163697  and attr store1 > 141.691163697) or 
       bondedto (attr store1 < 47.0429454343  and attr store1 > 46.2429454343 ))) 
6 0.1 0.1 peak 2297 volume 37.11034 ppm1 3.841 ppm2 3.910
 
! ############### c13noe.2298 folded -
assi (attr store1 < 3.906 and attr store1 > 3.806 )
     ((attr store1 < 3.803 and attr store1 > 3.743 ) and 
      (bondedto (attr store1 < 94.7500545657  and attr store1 > 93.9500545657 ) or 
       bondedto (attr store1 < 142.474163697  and attr store1 > 141.674163697) or 
       bondedto (attr store1 < 47.0259454343  and attr store1 > 46.2259454343 ))) 
6 0.1 0.1 peak 2298 volume 15.21172 ppm1 3.773 ppm2 3.856
 
! ############### c13noe.2299 folded -
assi (attr store1 < 3.888 and attr store1 > 3.788 )
     ((attr store1 < 3.701 and attr store1 > 3.641 ) and 
      (bondedto (attr store1 < 94.7330545657  and attr store1 > 93.9330545657 ) or 
       bondedto (attr store1 < 142.457163697  and attr store1 > 141.657163697) or 
       bondedto (attr store1 < 47.0089454343  and attr store1 > 46.2089454343 ))) 
6 0.1 0.1 peak 2299 volume 15.83584 ppm1 3.671 ppm2 3.838
 
! ############### c13noe.2300 folded -
assi (attr store1 < 3.299 and attr store1 > 3.199 )
     ((attr store1 < 3.345 and attr store1 > 3.285 ) and 
      (bondedto (attr store1 < 94.7260545657  and attr store1 > 93.9260545657 ) or 
       bondedto (attr store1 < 142.450163697  and attr store1 > 141.650163697) or 
       bondedto (attr store1 < 47.0019454343  and attr store1 > 46.2019454343 ))) 
6 0.1 0.1 peak 2300 volume 9.10723 ppm1 3.315 ppm2 3.249
 
! ############### c13noe.2301 folded +
assi (attr store1 < 3.209 and attr store1 > 3.109 )
     ((attr store1 < 3.284 and attr store1 > 3.224 ) and 
      (bondedto (attr store1 < 118.470109131  and attr store1 > 117.670109131 ) or 
       bondedto (attr store1 < 70.746  and attr store1 > 69.946 ) or 
       bondedto (attr store1 < 23.0218908686  and attr store1 > 22.2218908686 ))) 
6 0.1 0.1 peak 2301 volume 19.71936 ppm1 3.254 ppm2 3.159
 
! ############### c13noe.2302 folded -
assi (attr store1 < 3.724 and attr store1 > 3.624 )
     ((attr store1 < 3.862 and attr store1 > 3.802 ) and 
      (bondedto (attr store1 < 94.6770545657  and attr store1 > 93.8770545657 ) or 
       bondedto (attr store1 < 142.401163697  and attr store1 > 141.601163697) or 
       bondedto (attr store1 < 46.9529454343  and attr store1 > 46.1529454343 ))) 
6 0.1 0.1 peak 2302 volume 14.0868 ppm1 3.832 ppm2 3.674
 
! ############### c13noe.2303 folded +
assi (attr store1 < 3.301 and attr store1 > 3.201 )
     ((attr store1 < 3.189 and attr store1 > 3.129 ) and 
      (bondedto (attr store1 < 118.397109131  and attr store1 > 117.597109131 ) or 
       bondedto (attr store1 < 70.673  and attr store1 > 69.873 ) or 
       bondedto (attr store1 < 22.9488908686  and attr store1 > 22.1488908686 ))) 
6 0.1 0.1 peak 2303 volume 18.14176 ppm1 3.159 ppm2 3.251
 
! ############### c13noe.2304 folded +
assi (attr store1 < 8.414 and attr store1 > 8.314 )
     ((attr store1 < 0.966 and attr store1 > 0.906 ) and 
      (bondedto (attr store1 < 118.393109131  and attr store1 > 117.593109131 ) or 
       bondedto (attr store1 < 70.669  and attr store1 > 69.869 ) or 
       bondedto (attr store1 < 22.9448908686  and attr store1 > 22.1448908686 ))) 
6 0.1 0.1 peak 2304 volume 19.04584 ppm1 0.936 ppm2 8.364
 
! ############### c13noe.2305 folded +
assi (attr store1 < 7.817 and attr store1 > 7.717 )
     ((attr store1 < 0.968 and attr store1 > 0.908 ) and 
      (bondedto (attr store1 < 118.392109131  and attr store1 > 117.592109131 ) or 
       bondedto (attr store1 < 70.668  and attr store1 > 69.868 ) or 
       bondedto (attr store1 < 22.9438908686  and attr store1 > 22.1438908686 ))) 
6 0.1 0.1 peak 2305 volume 14.21030 ppm1 0.938 ppm2 7.767
 
! ############### c13noe.2306 folded +
assi (attr store1 < 4.057 and attr store1 > 3.957 )
     ((attr store1 < 0.965 and attr store1 > 0.905 ) and 
      (bondedto (attr store1 < 118.423109131  and attr store1 > 117.623109131 ) or 
       bondedto (attr store1 < 70.699  and attr store1 > 69.899 ) or 
       bondedto (attr store1 < 22.9748908686  and attr store1 > 22.1748908686 ))) 
6 0.1 0.1 peak 2306 volume 14.95002 ppm1 0.935 ppm2 4.007
 
! ############### c13noe.2307 folded +
assi (attr store1 < 3.618 and attr store1 > 3.518 )
     ((attr store1 < 0.967 and attr store1 > 0.907 ) and 
      (bondedto (attr store1 < 118.376109131  and attr store1 > 117.576109131 ) or 
       bondedto (attr store1 < 70.652  and attr store1 > 69.852 ) or 
       bondedto (attr store1 < 22.9278908686  and attr store1 > 22.1278908686 ))) 
6 0.1 0.1 peak 2307 volume 31.65224 ppm1 0.937 ppm2 3.568
 
! ############### c13noe.2308 folded +
assi (attr store1 < 8.717 and attr store1 > 8.617 )
     ((attr store1 < 0.807 and attr store1 > 0.747 ) and 
      (bondedto (attr store1 < 118.428109131  and attr store1 > 117.628109131 ) or 
       bondedto (attr store1 < 70.704  and attr store1 > 69.904 ) or 
       bondedto (attr store1 < 22.9798908686  and attr store1 > 22.1798908686 ))) 
6 0.1 0.1 peak 2308 volume 14.37993 ppm1 0.777 ppm2 8.667
 
! ############### c13noe.2309 folded +
assi (attr store1 < 8.575 and attr store1 > 8.475 )
     ((attr store1 < 0.807 and attr store1 > 0.747 ) and 
      (bondedto (attr store1 < 118.418109131  and attr store1 > 117.618109131 ) or 
       bondedto (attr store1 < 70.694  and attr store1 > 69.894 ) or 
       bondedto (attr store1 < 22.9698908686  and attr store1 > 22.1698908686 ))) 
6 0.1 0.1 peak 2309 volume 7.73238 ppm1 0.777 ppm2 8.525
 
! ############### c13noe.2310 folded +
assi (attr store1 < 7.344 and attr store1 > 7.244 )
     ((attr store1 < 0.806 and attr store1 > 0.746 ) and 
      (bondedto (attr store1 < 118.412109131  and attr store1 > 117.612109131 ) or 
       bondedto (attr store1 < 70.688  and attr store1 > 69.888 ) or 
       bondedto (attr store1 < 22.9638908686  and attr store1 > 22.1638908686 ))) 
6 0.1 0.1 peak 2310 volume 14.88601 ppm1 0.776 ppm2 7.294
 
! ############### c13noe.2311 folded +
assi (attr store1 < 3.637 and attr store1 > 3.537 )
     ((attr store1 < 0.808 and attr store1 > 0.748 ) and 
      (bondedto (attr store1 < 118.411109131  and attr store1 > 117.611109131 ) or 
       bondedto (attr store1 < 70.687  and attr store1 > 69.887 ) or 
       bondedto (attr store1 < 22.9628908686  and attr store1 > 22.1628908686 ))) 
6 0.1 0.1 peak 2311 volume 22.70545 ppm1 0.778 ppm2 3.587
 
! ############### c13noe.2312 folded +
assi (attr store1 < 3.553 and attr store1 > 3.453 )
     ((attr store1 < 0.807 and attr store1 > 0.747 ) and 
      (bondedto (attr store1 < 118.420109131  and attr store1 > 117.620109131 ) or 
       bondedto (attr store1 < 70.696  and attr store1 > 69.896 ) or 
       bondedto (attr store1 < 22.9718908686  and attr store1 > 22.1718908686 ))) 
6 0.1 0.1 peak 2312 volume 40.59116 ppm1 0.777 ppm2 3.503
 
! ############### c13noe.2313 folded +
assi (attr store1 < 8.234 and attr store1 > 8.134 )
     ((attr store1 < 0.967 and attr store1 > 0.907 ) and 
      (bondedto (attr store1 < 118.357109131  and attr store1 > 117.557109131 ) or 
       bondedto (attr store1 < 70.633  and attr store1 > 69.833 ) or 
       bondedto (attr store1 < 22.9088908686  and attr store1 > 22.1088908686 ))) 
6 0.1 0.1 peak 2313 volume 26.34902 ppm1 0.937 ppm2 8.184
 
! ############### c13noe.2314 folded +
assi (attr store1 < 3.837 and attr store1 > 3.737 )
     ((attr store1 < 0.966 and attr store1 > 0.906 ) and 
      (bondedto (attr store1 < 118.366109131  and attr store1 > 117.566109131 ) or 
       bondedto (attr store1 < 70.642  and attr store1 > 69.842 ) or 
       bondedto (attr store1 < 22.9178908686  and attr store1 > 22.1178908686 ))) 
6 0.1 0.1 peak 2314 volume 51.69933 ppm1 0.936 ppm2 3.787
 
! ############### c13noe.2315 folded +
assi (attr store1 < 2.442 and attr store1 > 2.342 )
     ((attr store1 < 0.965 and attr store1 > 0.905 ) and 
      (bondedto (attr store1 < 118.355109131  and attr store1 > 117.555109131 ) or 
       bondedto (attr store1 < 70.631  and attr store1 > 69.831 ) or 
       bondedto (attr store1 < 22.9068908686  and attr store1 > 22.1068908686 ))) 
6 0.1 0.1 peak 2315 volume 27.31801 ppm1 0.935 ppm2 2.392
 
! ############### c13noe.2316 folded +
assi (attr store1 < 2.353 and attr store1 > 2.253 )
     ((attr store1 < 0.966 and attr store1 > 0.906 ) and 
      (bondedto (attr store1 < 118.363109131  and attr store1 > 117.563109131 ) or 
       bondedto (attr store1 < 70.639  and attr store1 > 69.839 ) or 
       bondedto (attr store1 < 22.9148908686  and attr store1 > 22.1148908686 ))) 
6 0.1 0.1 peak 2316 volume 81.03445 ppm1 0.936 ppm2 2.303
 
! ############### c13noe.2317 folded +
assi (attr store1 < 1.164 and attr store1 > 1.064 )
     ((attr store1 < 0.966 and attr store1 > 0.906 ) and 
      (bondedto (attr store1 < 118.369109131  and attr store1 > 117.569109131 ) or 
       bondedto (attr store1 < 70.645  and attr store1 > 69.845 ) or 
       bondedto (attr store1 < 22.9208908686  and attr store1 > 22.1208908686 ))) 
6 0.1 0.1 peak 2317 volume 154.43521 ppm1 0.936 ppm2 1.114
 
! ############### c13noe.2318 folded +
assi (attr store1 < 1.372 and attr store1 > 1.272 )
     ((attr store1 < 4.326 and attr store1 > 4.266 ) and 
      (bondedto (attr store1 < 118.188109131  and attr store1 > 117.388109131 ) or 
       bondedto (attr store1 < 70.464  and attr store1 > 69.664 ) or 
       bondedto (attr store1 < 22.7398908686  and attr store1 > 21.9398908686 ))) 
6 0.1 0.1 peak 2318 volume 13.76858 ppm1 4.296 ppm2 1.322
 
! ############### c13noe.2319 folded +
assi (attr store1 < 3.301 and attr store1 > 3.201 )
     ((attr store1 < 3.192 and attr store1 > 3.132 ) and 
      (bondedto (attr store1 < 118.248109131  and attr store1 > 117.448109131 ) or 
       bondedto (attr store1 < 70.524  and attr store1 > 69.724 ) or 
       bondedto (attr store1 < 22.7998908686  and attr store1 > 21.9998908686 ))) 
6 0.1 0.1 peak 2319 volume 21.64908 ppm1 3.162 ppm2 3.251
 
! ############### c13noe.2320 folded +
assi (attr store1 < 1.366 and attr store1 > 1.266 )
     ((attr store1 < 1.674 and attr store1 > 1.614 ) and 
      (bondedto (attr store1 < 118.213109131  and attr store1 > 117.413109131 ) or 
       bondedto (attr store1 < 70.489  and attr store1 > 69.689 ) or 
       bondedto (attr store1 < 22.7648908686  and attr store1 > 21.9648908686 ))) 
6 0.1 0.1 peak 2320 volume 9.75251 ppm1 1.644 ppm2 1.316
 
! ############### c13noe.2321 folded +
assi (attr store1 < 3.915 and attr store1 > 3.815 )
     ((attr store1 < 3.803 and attr store1 > 3.743 ) and 
      (bondedto (attr store1 < 118.147109131  and attr store1 > 117.347109131 ) or 
       bondedto (attr store1 < 70.423  and attr store1 > 69.623 ) or 
       bondedto (attr store1 < 22.6988908686  and attr store1 > 21.8988908686 ))) 
6 0.1 0.1 peak 2321 volume 11.76969 ppm1 3.773 ppm2 3.865
 
! ############### c13noe.2322 folded +
assi (attr store1 < 1.257 and attr store1 > 1.157 )
     ((attr store1 < 1.485 and attr store1 > 1.425 ) and 
      (bondedto (attr store1 < 118.181109131  and attr store1 > 117.381109131 ) or 
       bondedto (attr store1 < 70.457  and attr store1 > 69.657 ) or 
       bondedto (attr store1 < 22.7328908686  and attr store1 > 21.9328908686 ))) 
6 0.1 0.1 peak 2322 volume 16.30633 ppm1 1.455 ppm2 1.207
 
! ############### c13noe.2323 folded +
assi (attr store1 < 4.737 and attr store1 > 4.637 )
     ((attr store1 < 1.349 and attr store1 > 1.289 ) and 
      (bondedto (attr store1 < 118.164109131  and attr store1 > 117.364109131 ) or 
       bondedto (attr store1 < 70.44  and attr store1 > 69.64 ) or 
       bondedto (attr store1 < 22.7158908686  and attr store1 > 21.9158908686 ))) 
6 0.1 0.1 peak 2323 volume 47.79818 ppm1 1.319 ppm2 4.687
 
! ############### c13noe.2324 folded +
assi (attr store1 < 4.091 and attr store1 > 3.991 )
     ((attr store1 < 1.348 and attr store1 > 1.288 ) and 
      (bondedto (attr store1 < 118.167109131  and attr store1 > 117.367109131 ) or 
       bondedto (attr store1 < 70.443  and attr store1 > 69.643 ) or 
       bondedto (attr store1 < 22.7188908686  and attr store1 > 21.9188908686 ))) 
6 0.1 0.1 peak 2324 volume 65.60609 ppm1 1.318 ppm2 4.041
 
! ############### c13noe.2325 folded +
assi (attr store1 < 3.513 and attr store1 > 3.413 )
     ((attr store1 < 1.351 and attr store1 > 1.291 ) and 
      (bondedto (attr store1 < 118.161109131  and attr store1 > 117.361109131 ) or 
       bondedto (attr store1 < 70.437  and attr store1 > 69.637 ) or 
       bondedto (attr store1 < 22.7128908686  and attr store1 > 21.9128908686 ))) 
6 0.1 0.1 peak 2325 volume 11.21364 ppm1 1.321 ppm2 3.463
 
! ############### c13noe.2326 folded +
assi (attr store1 < 8.478 and attr store1 > 8.378 )
     ((attr store1 < 1.347 and attr store1 > 1.287 ) and 
      (bondedto (attr store1 < 118.171109131  and attr store1 > 117.371109131 ) or 
       bondedto (attr store1 < 70.447  and attr store1 > 69.647 ) or 
       bondedto (attr store1 < 22.7228908686  and attr store1 > 21.9228908686 ))) 
6 0.1 0.1 peak 2326 volume 27.14565 ppm1 1.317 ppm2 8.428
 
! ############### c13noe.2327 folded +
assi (attr store1 < 7.968 and attr store1 > 7.868 )
     ((attr store1 < 1.347 and attr store1 > 1.287 ) and 
      (bondedto (attr store1 < 118.164109131  and attr store1 > 117.364109131 ) or 
       bondedto (attr store1 < 70.44  and attr store1 > 69.64 ) or 
       bondedto (attr store1 < 22.7158908686  and attr store1 > 21.9158908686 ))) 
6 0.1 0.1 peak 2327 volume 24.27847 ppm1 1.317 ppm2 7.918
 
! ############### c13noe.2328 folded +
assi (attr store1 < 4.344 and attr store1 > 4.244 )
     ((attr store1 < 1.347 and attr store1 > 1.287 ) and 
      (bondedto (attr store1 < 118.152109131  and attr store1 > 117.352109131 ) or 
       bondedto (attr store1 < 70.428  and attr store1 > 69.628 ) or 
       bondedto (attr store1 < 22.7038908686  and attr store1 > 21.9038908686 ))) 
6 0.1 0.1 peak 2328 volume 99.95737 ppm1 1.317 ppm2 4.294
 
! ############### c13noe.2329 folded -
assi (attr store1 < 2.012 and attr store1 > 1.912 )
     ((attr store1 < 2.343 and attr store1 > 2.283 ) and 
      (bondedto (attr store1 < 94.3070545657  and attr store1 > 93.5070545657 ) or 
       bondedto (attr store1 < 142.031163697  and attr store1 > 141.231163697) or 
       bondedto (attr store1 < 46.5829454343  and attr store1 > 45.7829454343 ))) 
6 0.1 0.1 peak 2329 volume 25.1378 ppm1 2.313 ppm2 1.962
 
! ############### c13noe.2330 folded -
assi (attr store1 < 2.363 and attr store1 > 2.263 )
     ((attr store1 < 2.004 and attr store1 > 1.944 ) and 
      (bondedto (attr store1 < 94.3090545657  and attr store1 > 93.5090545657 ) or 
       bondedto (attr store1 < 142.033163697  and attr store1 > 141.233163697) or 
       bondedto (attr store1 < 46.5849454343  and attr store1 > 45.7849454343 ))) 
6 0.1 0.1 peak 2330 volume 15.87302 ppm1 1.974 ppm2 2.313
 
! ############### c13noe.2331 folded -
assi (attr store1 < 2.359 and attr store1 > 2.259 )
     ((attr store1 < 1.972 and attr store1 > 1.912 ) and 
      (bondedto (attr store1 < 94.3130545657  and attr store1 > 93.5130545657 ) or 
       bondedto (attr store1 < 142.037163697  and attr store1 > 141.237163697) or 
       bondedto (attr store1 < 46.5889454343  and attr store1 > 45.7889454343 ))) 
6 0.1 0.1 peak 2331 volume 19.69033 ppm1 1.942 ppm2 2.309
 
! ############### c13noe.2332 folded +
assi (attr store1 < 3.716 and attr store1 > 3.616 )
     ((attr store1 < 3.866 and attr store1 > 3.806 ) and 
      (bondedto (attr store1 < 118.059109131  and attr store1 > 117.259109131 ) or 
       bondedto (attr store1 < 70.335  and attr store1 > 69.535 ) or 
       bondedto (attr store1 < 22.6108908686  and attr store1 > 21.8108908686 ))) 
6 0.1 0.1 peak 2332 volume 24.01252 ppm1 3.836 ppm2 3.666
 
! ############### c13noe.2333 folded +
assi (attr store1 < 3.891 and attr store1 > 3.791 )
     ((attr store1 < 3.698 and attr store1 > 3.638 ) and 
      (bondedto (attr store1 < 118.066109131  and attr store1 > 117.266109131 ) or 
       bondedto (attr store1 < 70.342  and attr store1 > 69.542 ) or 
       bondedto (attr store1 < 22.6178908686  and attr store1 > 21.8178908686 ))) 
6 0.1 0.1 peak 2333 volume 17.64507 ppm1 3.668 ppm2 3.841
 
! ############### c13noe.2334 folded -
assi (attr store1 < 2.728 and attr store1 > 2.628 )
     ((attr store1 < 2.785 and attr store1 > 2.725 ) and 
      (bondedto (attr store1 < 94.1880545657  and attr store1 > 93.3880545657 ) or 
       bondedto (attr store1 < 141.912163697  and attr store1 > 141.112163697) or 
       bondedto (attr store1 < 46.4639454343  and attr store1 > 45.6639454343 ))) 
6 0.1 0.1 peak 2334 volume 16.69799 ppm1 2.755 ppm2 2.678
 
! ############### c13noe.2335 folded -
assi (attr store1 < 2.805 and attr store1 > 2.705 )
     ((attr store1 < 2.702 and attr store1 > 2.642 ) and 
      (bondedto (attr store1 < 94.1890545657  and attr store1 > 93.3890545657 ) or 
       bondedto (attr store1 < 141.913163697  and attr store1 > 141.113163697) or 
       bondedto (attr store1 < 46.4649454343  and attr store1 > 45.6649454343 ))) 
6 0.1 0.1 peak 2335 volume 12.61544 ppm1 2.672 ppm2 2.755
 
! ############### c13noe.2336 folded +
assi (attr store1 < 8.865 and attr store1 > 8.765 )
     ((attr store1 < 0.925 and attr store1 > 0.865 ) and 
      (bondedto (attr store1 < 117.976109131  and attr store1 > 117.176109131 ) or 
       bondedto (attr store1 < 70.252  and attr store1 > 69.452 ) or 
       bondedto (attr store1 < 22.5278908686  and attr store1 > 21.7278908686 ))) 
6 0.1 0.1 peak 2336 volume 9.65771 ppm1 0.895 ppm2 8.815
 
! ############### c13noe.2337 folded +
assi (attr store1 < 8.714 and attr store1 > 8.614 )
     ((attr store1 < 0.921 and attr store1 > 0.861 ) and 
      (bondedto (attr store1 < 117.994109131  and attr store1 > 117.194109131 ) or 
       bondedto (attr store1 < 70.27  and attr store1 > 69.47 ) or 
       bondedto (attr store1 < 22.5458908686  and attr store1 > 21.7458908686 ))) 
6 0.1 0.1 peak 2337 volume 10.60845 ppm1 0.891 ppm2 8.664
 
! ############### c13noe.2338 folded +
assi (attr store1 < 8.27 and attr store1 > 8.17 )
     ((attr store1 < 0.92 and attr store1 > 0.86 ) and 
      (bondedto (attr store1 < 117.958109131  and attr store1 > 117.158109131 ) or 
       bondedto (attr store1 < 70.234  and attr store1 > 69.434 ) or 
       bondedto (attr store1 < 22.5098908686  and attr store1 > 21.7098908686 ))) 
6 0.1 0.1 peak 2338 volume 16.03343 ppm1 0.890 ppm2 8.220
 
! ############### c13noe.2339 folded +
assi (attr store1 < 3.628 and attr store1 > 3.528 )
     ((attr store1 < 0.922 and attr store1 > 0.862 ) and 
      (bondedto (attr store1 < 117.945109131  and attr store1 > 117.145109131 ) or 
       bondedto (attr store1 < 70.221  and attr store1 > 69.421 ) or 
       bondedto (attr store1 < 22.4968908686  and attr store1 > 21.6968908686 ))) 
6 0.1 0.1 peak 2339 volume 68.14547 ppm1 0.892 ppm2 3.578
 
! ############### c13noe.2340 folded +
assi (attr store1 < 1.31 and attr store1 > 1.21 )
     ((attr store1 < 4.275 and attr store1 > 4.215 ) and 
      (bondedto (attr store1 < 117.817109131  and attr store1 > 117.017109131 ) or 
       bondedto (attr store1 < 70.093  and attr store1 > 69.293 ) or 
       bondedto (attr store1 < 22.3688908686  and attr store1 > 21.5688908686 ))) 
6 0.1 0.1 peak 2340 volume 12.36484 ppm1 4.245 ppm2 1.260
 
! ############### c13noe.2341 folded +
assi (attr store1 < 1.287 and attr store1 > 1.187 )
     ((attr store1 < 4.217 and attr store1 > 4.157 ) and 
      (bondedto (attr store1 < 117.845109131  and attr store1 > 117.045109131 ) or 
       bondedto (attr store1 < 70.121  and attr store1 > 69.321 ) or 
       bondedto (attr store1 < 22.3968908686  and attr store1 > 21.5968908686 ))) 
6 0.1 0.1 peak 2341 volume 14.30984 ppm1 4.187 ppm2 1.237
 
! ############### c13noe.2342 folded +
assi (attr store1 < 0.945 and attr store1 > 0.845 )
     ((attr store1 < 4.085 and attr store1 > 4.025 ) and 
      (bondedto (attr store1 < 117.882109131  and attr store1 > 117.082109131 ) or 
       bondedto (attr store1 < 70.158  and attr store1 > 69.358 ) or 
       bondedto (attr store1 < 22.4338908686  and attr store1 > 21.6338908686 ))) 
6 0.1 0.1 peak 2342 volume 8.99890 ppm1 4.055 ppm2 0.895
 
! ############### c13noe.2343 folded +
assi (attr store1 < 8.175 and attr store1 > 8.075 )
     ((attr store1 < 1.272 and attr store1 > 1.212 ) and 
      (bondedto (attr store1 < 117.870109131  and attr store1 > 117.070109131 ) or 
       bondedto (attr store1 < 70.146  and attr store1 > 69.346 ) or 
       bondedto (attr store1 < 22.4218908686  and attr store1 > 21.6218908686 ))) 
6 0.1 0.1 peak 2343 volume 7.52183 ppm1 1.242 ppm2 8.125
 
! ############### c13noe.2344 folded +
assi (attr store1 < 8.091 and attr store1 > 7.991 )
     ((attr store1 < 1.269 and attr store1 > 1.209 ) and 
      (bondedto (attr store1 < 117.847109131  and attr store1 > 117.047109131 ) or 
       bondedto (attr store1 < 70.123  and attr store1 > 69.323 ) or 
       bondedto (attr store1 < 22.3988908686  and attr store1 > 21.5988908686 ))) 
6 0.1 0.1 peak 2344 volume 21.48122 ppm1 1.239 ppm2 8.041
 
! ############### c13noe.2345 folded +
assi (attr store1 < 7.456 and attr store1 > 7.356 )
     ((attr store1 < 1.269 and attr store1 > 1.209 ) and 
      (bondedto (attr store1 < 117.827109131  and attr store1 > 117.027109131 ) or 
       bondedto (attr store1 < 70.103  and attr store1 > 69.303 ) or 
       bondedto (attr store1 < 22.3788908686  and attr store1 > 21.5788908686 ))) 
6 0.1 0.1 peak 2345 volume 15.68584 ppm1 1.239 ppm2 7.406
 
! ############### c13noe.2346 folded +
assi (attr store1 < 7.212 and attr store1 > 7.112 )
     ((attr store1 < 1.268 and attr store1 > 1.208 ) and 
      (bondedto (attr store1 < 117.841109131  and attr store1 > 117.041109131 ) or 
       bondedto (attr store1 < 70.117  and attr store1 > 69.317 ) or 
       bondedto (attr store1 < 22.3928908686  and attr store1 > 21.5928908686 ))) 
6 0.1 0.1 peak 2346 volume 28.78951 ppm1 1.238 ppm2 7.162
 
! ############### c13noe.2347 folded +
assi (attr store1 < 7.137 and attr store1 > 7.037 )
     ((attr store1 < 1.268 and attr store1 > 1.208 ) and 
      (bondedto (attr store1 < 117.834109131  and attr store1 > 117.034109131 ) or 
       bondedto (attr store1 < 70.11  and attr store1 > 69.31 ) or 
       bondedto (attr store1 < 22.3858908686  and attr store1 > 21.5858908686 ))) 
6 0.1 0.1 peak 2347 volume 8.92770 ppm1 1.238 ppm2 7.087
 
! ############### c13noe.2348 folded +
assi (attr store1 < 7.057 and attr store1 > 6.957 )
     ((attr store1 < 1.268 and attr store1 > 1.208 ) and 
      (bondedto (attr store1 < 117.839109131  and attr store1 > 117.039109131 ) or 
       bondedto (attr store1 < 70.115  and attr store1 > 69.315 ) or 
       bondedto (attr store1 < 22.3908908686  and attr store1 > 21.5908908686 ))) 
6 0.1 0.1 peak 2348 volume 39.56182 ppm1 1.238 ppm2 7.007
 
! ############### c13noe.2349 folded +
assi (attr store1 < 4.737 and attr store1 > 4.637 )
     ((attr store1 < 1.268 and attr store1 > 1.208 ) and 
      (bondedto (attr store1 < 117.832109131  and attr store1 > 117.032109131 ) or 
       bondedto (attr store1 < 70.108  and attr store1 > 69.308 ) or 
       bondedto (attr store1 < 22.3838908686  and attr store1 > 21.5838908686 ))) 
6 0.1 0.1 peak 2349 volume 55.09269 ppm1 1.238 ppm2 4.687
 
! ############### c13noe.2350 folded +
assi (attr store1 < 4.232 and attr store1 > 4.132 )
     ((attr store1 < 1.269 and attr store1 > 1.209 ) and 
      (bondedto (attr store1 < 117.838109131  and attr store1 > 117.038109131 ) or 
       bondedto (attr store1 < 70.114  and attr store1 > 69.314 ) or 
       bondedto (attr store1 < 22.3898908686  and attr store1 > 21.5898908686 ))) 
6 0.1 0.1 peak 2350 volume 89.74374 ppm1 1.239 ppm2 4.182
 
! ############### c13noe.2351 folded +
assi (attr store1 < 3.971 and attr store1 > 3.871 )
     ((attr store1 < 1.269 and attr store1 > 1.209 ) and 
      (bondedto (attr store1 < 117.843109131  and attr store1 > 117.043109131 ) or 
       bondedto (attr store1 < 70.119  and attr store1 > 69.319 ) or 
       bondedto (attr store1 < 22.3948908686  and attr store1 > 21.5948908686 ))) 
6 0.1 0.1 peak 2351 volume 63.18914 ppm1 1.239 ppm2 3.921
 
! ############### c13noe.2352 folded +
assi (attr store1 < 7.16 and attr store1 > 7.06 )
     ((attr store1 < 0.926 and attr store1 > 0.866 ) and 
      (bondedto (attr store1 < 117.845109131  and attr store1 > 117.045109131 ) or 
       bondedto (attr store1 < 70.121  and attr store1 > 69.321 ) or 
       bondedto (attr store1 < 22.3968908686  and attr store1 > 21.5968908686 ))) 
6 0.1 0.1 peak 2352 volume 7.68051 ppm1 0.896 ppm2 7.110
 
! ############### c13noe.2353 folded +
assi (attr store1 < 8.416 and attr store1 > 8.316 )
     ((attr store1 < 0.922 and attr store1 > 0.862 ) and 
      (bondedto (attr store1 < 117.883109131  and attr store1 > 117.083109131 ) or 
       bondedto (attr store1 < 70.159  and attr store1 > 69.359 ) or 
       bondedto (attr store1 < 22.4348908686  and attr store1 > 21.6348908686 ))) 
6 0.1 0.1 peak 2353 volume 30.68908 ppm1 0.892 ppm2 8.366
 
! ############### c13noe.2354 folded +
assi (attr store1 < 6.938 and attr store1 > 6.838 )
     ((attr store1 < 0.921 and attr store1 > 0.861 ) and 
      (bondedto (attr store1 < 117.888109131  and attr store1 > 117.088109131 ) or 
       bondedto (attr store1 < 70.164  and attr store1 > 69.364 ) or 
       bondedto (attr store1 < 22.4398908686  and attr store1 > 21.6398908686 ))) 
6 0.1 0.1 peak 2354 volume 14.83747 ppm1 0.891 ppm2 6.888
 
! ############### c13noe.2355 folded +
assi (attr store1 < 4.737 and attr store1 > 4.637 )
     ((attr store1 < 0.922 and attr store1 > 0.862 ) and 
      (bondedto (attr store1 < 117.872109131  and attr store1 > 117.072109131 ) or 
       bondedto (attr store1 < 70.148  and attr store1 > 69.348 ) or 
       bondedto (attr store1 < 22.4238908686  and attr store1 > 21.6238908686 ))) 
6 0.1 0.1 peak 2355 volume 32.75878 ppm1 0.892 ppm2 4.687
 
! ############### c13noe.2356 folded +
assi (attr store1 < 4.173 and attr store1 > 4.073 )
     ((attr store1 < 0.922 and attr store1 > 0.862 ) and 
      (bondedto (attr store1 < 117.877109131  and attr store1 > 117.077109131 ) or 
       bondedto (attr store1 < 70.153  and attr store1 > 69.353 ) or 
       bondedto (attr store1 < 22.4288908686  and attr store1 > 21.6288908686 ))) 
6 0.1 0.1 peak 2356 volume 31.93809 ppm1 0.892 ppm2 4.123
 
! ############### c13noe.2357 folded +
assi (attr store1 < 4.1 and attr store1 > 4.0 )
     ((attr store1 < 0.923 and attr store1 > 0.863 ) and 
      (bondedto (attr store1 < 117.872109131  and attr store1 > 117.072109131 ) or 
       bondedto (attr store1 < 70.148  and attr store1 > 69.348 ) or 
       bondedto (attr store1 < 22.4238908686  and attr store1 > 21.6238908686 ))) 
6 0.1 0.1 peak 2357 volume 58.95290 ppm1 0.893 ppm2 4.050
 
! ############### c13noe.2358 folded +
assi (attr store1 < 8.431 and attr store1 > 8.331 )
     ((attr store1 < 0.889 and attr store1 > 0.829 ) and 
      (bondedto (attr store1 < 117.897109131  and attr store1 > 117.097109131 ) or 
       bondedto (attr store1 < 70.173  and attr store1 > 69.373 ) or 
       bondedto (attr store1 < 22.4488908686  and attr store1 > 21.6488908686 ))) 
6 0.1 0.1 peak 2358 volume 7.58029 ppm1 0.859 ppm2 8.381
 
! ############### c13noe.2359 folded +
assi (attr store1 < 8.987 and attr store1 > 8.887 )
     ((attr store1 < 0.881 and attr store1 > 0.821 ) and 
      (bondedto (attr store1 < 117.900109131  and attr store1 > 117.100109131 ) or 
       bondedto (attr store1 < 70.176  and attr store1 > 69.376 ) or 
       bondedto (attr store1 < 22.4518908686  and attr store1 > 21.6518908686 ))) 
6 0.1 0.1 peak 2359 volume 7.56286 ppm1 0.851 ppm2 8.937
 
! ############### c13noe.2360 folded +
assi (attr store1 < 8.044 and attr store1 > 7.944 )
     ((attr store1 < 0.87 and attr store1 > 0.81 ) and 
      (bondedto (attr store1 < 117.838109131  and attr store1 > 117.038109131 ) or 
       bondedto (attr store1 < 70.114  and attr store1 > 69.314 ) or 
       bondedto (attr store1 < 22.3898908686  and attr store1 > 21.5898908686 ))) 
6 0.1 0.1 peak 2360 volume 14.22612 ppm1 0.840 ppm2 7.994
 
! ############### c13noe.2361 folded +
assi (attr store1 < 7.893 and attr store1 > 7.793 )
     ((attr store1 < 0.871 and attr store1 > 0.811 ) and 
      (bondedto (attr store1 < 117.825109131  and attr store1 > 117.025109131 ) or 
       bondedto (attr store1 < 70.101  and attr store1 > 69.301 ) or 
       bondedto (attr store1 < 22.3768908686  and attr store1 > 21.5768908686 ))) 
6 0.1 0.1 peak 2361 volume 11.43126 ppm1 0.841 ppm2 7.843
 
! ############### c13noe.2362 folded +
assi (attr store1 < 3.679 and attr store1 > 3.579 )
     ((attr store1 < 0.872 and attr store1 > 0.812 ) and 
      (bondedto (attr store1 < 117.872109131  and attr store1 > 117.072109131 ) or 
       bondedto (attr store1 < 70.148  and attr store1 > 69.348 ) or 
       bondedto (attr store1 < 22.4238908686  and attr store1 > 21.6238908686 ))) 
6 0.1 0.1 peak 2362 volume 9.35622 ppm1 0.842 ppm2 3.629
 
! ############### c13noe.2363 folded +
assi (attr store1 < 3.524 and attr store1 > 3.424 )
     ((attr store1 < 0.871 and attr store1 > 0.811 ) and 
      (bondedto (attr store1 < 117.868109131  and attr store1 > 117.068109131 ) or 
       bondedto (attr store1 < 70.144  and attr store1 > 69.344 ) or 
       bondedto (attr store1 < 22.4198908686  and attr store1 > 21.6198908686 ))) 
6 0.1 0.1 peak 2363 volume 33.47869 ppm1 0.841 ppm2 3.474
 
! ############### c13noe.2364 folded +
assi (attr store1 < 3.945 and attr store1 > 3.845 )
     ((attr store1 < 0.869 and attr store1 > 0.809 ) and 
      (bondedto (attr store1 < 117.851109131  and attr store1 > 117.051109131 ) or 
       bondedto (attr store1 < 70.127  and attr store1 > 69.327 ) or 
       bondedto (attr store1 < 22.4028908686  and attr store1 > 21.6028908686 ))) 
6 0.1 0.1 peak 2364 volume 17.06228 ppm1 0.839 ppm2 3.895
 
! ############### c13noe.2365 folded -
assi (attr store1 < 3.888 and attr store1 > 3.788 )
     ((attr store1 < 3.936 and attr store1 > 3.876 ) and 
      (bondedto (attr store1 < 93.9810545657  and attr store1 > 93.1810545657 ) or 
       bondedto (attr store1 < 141.705163697  and attr store1 > 140.905163697) or 
       bondedto (attr store1 < 46.2569454343  and attr store1 > 45.4569454343 ))) 
6 0.1 0.1 peak 2365 volume 22.80268 ppm1 3.906 ppm2 3.838
 
! ############### c13noe.2366 folded -
assi (attr store1 < 3.955 and attr store1 > 3.855 )
     ((attr store1 < 3.873 and attr store1 > 3.813 ) and 
      (bondedto (attr store1 < 93.9840545657  and attr store1 > 93.1840545657 ) or 
       bondedto (attr store1 < 141.708163697  and attr store1 > 140.908163697) or 
       bondedto (attr store1 < 46.2599454343  and attr store1 > 45.4599454343 ))) 
6 0.1 0.1 peak 2366 volume 24.35883 ppm1 3.843 ppm2 3.905
 
! ############### c13noe.2367 folded -
assi (attr store1 < 2.58 and attr store1 > 2.48 )
     ((attr store1 < 2.629 and attr store1 > 2.569 ) and 
      (bondedto (attr store1 < 94.0210545657  and attr store1 > 93.2210545657 ) or 
       bondedto (attr store1 < 141.745163697  and attr store1 > 140.945163697) or 
       bondedto (attr store1 < 46.2969454343  and attr store1 > 45.4969454343 ))) 
6 0.1 0.1 peak 2367 volume 7.41624 ppm1 2.599 ppm2 2.530
 
! ############### c13noe.2368 folded -
assi (attr store1 < 2.652 and attr store1 > 2.552 )
     ((attr store1 < 2.57 and attr store1 > 2.51 ) and 
      (bondedto (attr store1 < 93.9960545657  and attr store1 > 93.1960545657 ) or 
       bondedto (attr store1 < 141.720163697  and attr store1 > 140.920163697) or 
       bondedto (attr store1 < 46.2719454343  and attr store1 > 45.4719454343 ))) 
6 0.1 0.1 peak 2368 volume 8.18713 ppm1 2.540 ppm2 2.602
 
! ############### c13noe.2369 folded +
assi (attr store1 < 1.284 and attr store1 > 1.184 )
     ((attr store1 < 4.336 and attr store1 > 4.276 ) and 
      (bondedto (attr store1 < 117.764109131  and attr store1 > 116.964109131 ) or 
       bondedto (attr store1 < 70.04  and attr store1 > 69.24 ) or 
       bondedto (attr store1 < 22.3158908686  and attr store1 > 21.5158908686 ))) 
6 0.1 0.1 peak 2369 volume 16.63316 ppm1 4.306 ppm2 1.234
 
! ############### c13noe.2370 folded +
assi (attr store1 < 2.286 and attr store1 > 2.186 )
     ((attr store1 < 2.125 and attr store1 > 2.065 ) and 
      (bondedto (attr store1 < 117.763109131  and attr store1 > 116.963109131 ) or 
       bondedto (attr store1 < 70.039  and attr store1 > 69.239 ) or 
       bondedto (attr store1 < 22.3148908686  and attr store1 > 21.5148908686 ))) 
6 0.1 0.1 peak 2370 volume 16.07246 ppm1 2.095 ppm2 2.236
 
! ############### c13noe.2371 folded +
assi (attr store1 < 8.508 and attr store1 > 8.408 )
     ((attr store1 < 1.272 and attr store1 > 1.212 ) and 
      (bondedto (attr store1 < 117.804109131  and attr store1 > 117.004109131 ) or 
       bondedto (attr store1 < 70.08  and attr store1 > 69.28 ) or 
       bondedto (attr store1 < 22.3558908686  and attr store1 > 21.5558908686 ))) 
6 0.1 0.1 peak 2371 volume 6.58210 ppm1 1.242 ppm2 8.458
 
! ############### c13noe.2372 folded +
assi (attr store1 < 8.415 and attr store1 > 8.315 )
     ((attr store1 < 0.867 and attr store1 > 0.807 ) and 
      (bondedto (attr store1 < 117.795109131  and attr store1 > 116.995109131 ) or 
       bondedto (attr store1 < 70.071  and attr store1 > 69.271 ) or 
       bondedto (attr store1 < 22.3468908686  and attr store1 > 21.5468908686 ))) 
6 0.1 0.1 peak 2372 volume 8.60905 ppm1 0.837 ppm2 8.365
 
! ############### c13noe.2373 folded +
assi (attr store1 < 8.423 and attr store1 > 8.323 )
     ((attr store1 < 0.82 and attr store1 > 0.76 ) and 
      (bondedto (attr store1 < 117.735109131  and attr store1 > 116.935109131 ) or 
       bondedto (attr store1 < 70.011  and attr store1 > 69.211 ) or 
       bondedto (attr store1 < 22.2868908686  and attr store1 > 21.4868908686 ))) 
6 0.1 0.1 peak 2373 volume 13.74236 ppm1 0.790 ppm2 8.373
 
! ############### c13noe.2374 folded +
assi (attr store1 < 7.781 and attr store1 > 7.681 )
     ((attr store1 < 0.822 and attr store1 > 0.762 ) and 
      (bondedto (attr store1 < 117.775109131  and attr store1 > 116.975109131 ) or 
       bondedto (attr store1 < 70.051  and attr store1 > 69.251 ) or 
       bondedto (attr store1 < 22.3268908686  and attr store1 > 21.5268908686 ))) 
6 0.1 0.1 peak 2374 volume 7.27748 ppm1 0.792 ppm2 7.731
 
! ############### c13noe.2375 folded +
assi (attr store1 < 4.008 and attr store1 > 3.908 )
     ((attr store1 < 0.821 and attr store1 > 0.761 ) and 
      (bondedto (attr store1 < 117.743109131  and attr store1 > 116.943109131 ) or 
       bondedto (attr store1 < 70.019  and attr store1 > 69.219 ) or 
       bondedto (attr store1 < 22.2948908686  and attr store1 > 21.4948908686 ))) 
6 0.1 0.1 peak 2375 volume 15.89826 ppm1 0.791 ppm2 3.958
 
! ############### c13noe.2376 folded +
assi (attr store1 < 3.929 and attr store1 > 3.829 )
     ((attr store1 < 0.82 and attr store1 > 0.76 ) and 
      (bondedto (attr store1 < 117.727109131  and attr store1 > 116.927109131 ) or 
       bondedto (attr store1 < 70.003  and attr store1 > 69.203 ) or 
       bondedto (attr store1 < 22.2788908686  and attr store1 > 21.4788908686 ))) 
6 0.1 0.1 peak 2376 volume 12.67493 ppm1 0.790 ppm2 3.879
 
! ############### c13noe.2377 folded +
assi (attr store1 < 3.687 and attr store1 > 3.587 )
     ((attr store1 < 0.821 and attr store1 > 0.761 ) and 
      (bondedto (attr store1 < 117.761109131  and attr store1 > 116.961109131 ) or 
       bondedto (attr store1 < 70.037  and attr store1 > 69.237 ) or 
       bondedto (attr store1 < 22.3128908686  and attr store1 > 21.5128908686 ))) 
6 0.1 0.1 peak 2377 volume 27.39084 ppm1 0.791 ppm2 3.637
 
! ############### c13noe.2378 folded +
assi (attr store1 < 2.396 and attr store1 > 2.296 )
     ((attr store1 < 0.823 and attr store1 > 0.763 ) and 
      (bondedto (attr store1 < 117.797109131  and attr store1 > 116.997109131 ) or 
       bondedto (attr store1 < 70.073  and attr store1 > 69.273 ) or 
       bondedto (attr store1 < 22.3488908686  and attr store1 > 21.5488908686 ))) 
6 0.1 0.1 peak 2378 volume 14.91572 ppm1 0.793 ppm2 2.346
 
! ############### c13noe.2379 folded +
assi (attr store1 < 2.231 and attr store1 > 2.131 )
     ((attr store1 < 0.821 and attr store1 > 0.761 ) and 
      (bondedto (attr store1 < 117.751109131  and attr store1 > 116.951109131 ) or 
       bondedto (attr store1 < 70.027  and attr store1 > 69.227 ) or 
       bondedto (attr store1 < 22.3028908686  and attr store1 > 21.5028908686 ))) 
6 0.1 0.1 peak 2379 volume 39.62799 ppm1 0.791 ppm2 2.181
 
! ############### c13noe.2380 folded +
assi (attr store1 < 1.579 and attr store1 > 1.479 )
     ((attr store1 < 0.822 and attr store1 > 0.762 ) and 
      (bondedto (attr store1 < 117.764109131  and attr store1 > 116.964109131 ) or 
       bondedto (attr store1 < 70.04  and attr store1 > 69.24 ) or 
       bondedto (attr store1 < 22.3158908686  and attr store1 > 21.5158908686 ))) 
6 0.1 0.1 peak 2380 volume 58.03760 ppm1 0.792 ppm2 1.529
 
! ############### c13noe.2381 folded +
assi (attr store1 < 8.987 and attr store1 > 8.887 )
     ((attr store1 < 0.818 and attr store1 > 0.758 ) and 
      (bondedto (attr store1 < 117.752109131  and attr store1 > 116.952109131 ) or 
       bondedto (attr store1 < 70.028  and attr store1 > 69.228 ) or 
       bondedto (attr store1 < 22.3038908686  and attr store1 > 21.5038908686 ))) 
6 0.1 0.1 peak 2381 volume 11.67111 ppm1 0.788 ppm2 8.937
 
! ############### c13noe.2382 folded -
assi (attr store1 < 3.908 and attr store1 > 3.808 )
     ((attr store1 < 3.801 and attr store1 > 3.741 ) and 
      (bondedto (attr store1 < 93.8990545657  and attr store1 > 93.0990545657 ) or 
       bondedto (attr store1 < 141.623163697  and attr store1 > 140.823163697) or 
       bondedto (attr store1 < 46.1749454343  and attr store1 > 45.3749454343 ))) 
6 0.1 0.1 peak 2382 volume 12.05172 ppm1 3.771 ppm2 3.858
 
! ############### c13noe.2383 folded -
assi (attr store1 < 3.304 and attr store1 > 3.204 )
     ((attr store1 < 3.349 and attr store1 > 3.289 ) and 
      (bondedto (attr store1 < 93.8840545657  and attr store1 > 93.0840545657 ) or 
       bondedto (attr store1 < 141.608163697  and attr store1 > 140.808163697) or 
       bondedto (attr store1 < 46.1599454343  and attr store1 > 45.3599454343 ))) 
6 0.1 0.1 peak 2383 volume 9.88618 ppm1 3.319 ppm2 3.254
 
! ############### c13noe.2384 folded -
assi (attr store1 < 3.372 and attr store1 > 3.272 )
     ((attr store1 < 3.292 and attr store1 > 3.232 ) and 
      (bondedto (attr store1 < 93.8760545657  and attr store1 > 93.0760545657 ) or 
       bondedto (attr store1 < 141.600163697  and attr store1 > 140.800163697) or 
       bondedto (attr store1 < 46.1519454343  and attr store1 > 45.3519454343 ))) 
6 0.1 0.1 peak 2384 volume 12.11038 ppm1 3.262 ppm2 3.322
 
! ############### c13noe.2385 folded -
assi (attr store1 < 1.944 and attr store1 > 1.844 )
     ((attr store1 < 2.026 and attr store1 > 1.966 ) and 
      (bondedto (attr store1 < 93.8940545657  and attr store1 > 93.0940545657 ) or 
       bondedto (attr store1 < 141.618163697  and attr store1 > 140.818163697) or 
       bondedto (attr store1 < 46.1699454343  and attr store1 > 45.3699454343 ))) 
6 0.1 0.1 peak 2385 volume 9.20329 ppm1 1.996 ppm2 1.894
 
! ############### c13noe.2386 folded -
assi (attr store1 < 0.838 and attr store1 > 0.738 )
     ((attr store1 < 0.512 and attr store1 > 0.452 ) and 
      (bondedto (attr store1 < 93.9270545657  and attr store1 > 93.1270545657 ) or 
       bondedto (attr store1 < 141.651163697  and attr store1 > 140.851163697) or 
       bondedto (attr store1 < 46.2029454343  and attr store1 > 45.4029454343 ))) 
6 0.1 0.1 peak 2386 volume 8.78428 ppm1 0.482 ppm2 0.788
 
! ############### c13noe.2387 folded +
assi (attr store1 < 2.01 and attr store1 > 1.91 )
     ((attr store1 < 2.339 and attr store1 > 2.279 ) and 
      (bondedto (attr store1 < 117.670109131  and attr store1 > 116.870109131 ) or 
       bondedto (attr store1 < 69.946  and attr store1 > 69.146 ) or 
       bondedto (attr store1 < 22.2218908686  and attr store1 > 21.4218908686 ))) 
6 0.1 0.1 peak 2387 volume 32.74221 ppm1 2.309 ppm2 1.960
 
! ############### c13noe.2388 folded +
assi (attr store1 < 2.367 and attr store1 > 2.267 )
     ((attr store1 < 2.006 and attr store1 > 1.946 ) and 
      (bondedto (attr store1 < 117.674109131  and attr store1 > 116.874109131 ) or 
       bondedto (attr store1 < 69.95  and attr store1 > 69.15 ) or 
       bondedto (attr store1 < 22.2258908686  and attr store1 > 21.4258908686 ))) 
6 0.1 0.1 peak 2388 volume 26.76124 ppm1 1.976 ppm2 2.317
 
! ############### c13noe.2389 folded +
assi (attr store1 < 2.358 and attr store1 > 2.258 )
     ((attr store1 < 1.975 and attr store1 > 1.915 ) and 
      (bondedto (attr store1 < 117.637109131  and attr store1 > 116.837109131 ) or 
       bondedto (attr store1 < 69.913  and attr store1 > 69.113 ) or 
       bondedto (attr store1 < 22.1888908686  and attr store1 > 21.3888908686 ))) 
6 0.1 0.1 peak 2389 volume 24.93841 ppm1 1.945 ppm2 2.308
 
! ############### c13noe.2390 folded +
assi (attr store1 < 4.968 and attr store1 > 4.868 )
     ((attr store1 < 1.415 and attr store1 > 1.355 ) and 
      (bondedto (attr store1 < 117.647109131  and attr store1 > 116.847109131 ) or 
       bondedto (attr store1 < 69.923  and attr store1 > 69.123 ) or 
       bondedto (attr store1 < 22.1988908686  and attr store1 > 21.3988908686 ))) 
6 0.1 0.1 peak 2390 volume 20.00081 ppm1 1.385 ppm2 4.918
 
! ############### c13noe.2391 folded +
assi (attr store1 < 4.734 and attr store1 > 4.634 )
     ((attr store1 < 1.414 and attr store1 > 1.354 ) and 
      (bondedto (attr store1 < 117.659109131  and attr store1 > 116.859109131 ) or 
       bondedto (attr store1 < 69.935  and attr store1 > 69.135 ) or 
       bondedto (attr store1 < 22.2108908686  and attr store1 > 21.4108908686 ))) 
6 0.1 0.1 peak 2391 volume 73.76166 ppm1 1.384 ppm2 4.684
 
! ############### c13noe.2392 folded +
assi (attr store1 < 7.875 and attr store1 > 7.775 )
     ((attr store1 < 1.412 and attr store1 > 1.352 ) and 
      (bondedto (attr store1 < 117.650109131  and attr store1 > 116.850109131 ) or 
       bondedto (attr store1 < 69.926  and attr store1 > 69.126 ) or 
       bondedto (attr store1 < 22.2018908686  and attr store1 > 21.4018908686 ))) 
6 0.1 0.1 peak 2392 volume 7.45281 ppm1 1.382 ppm2 7.825
 
! ############### c13noe.2393 folded +
assi (attr store1 < 7.409 and attr store1 > 7.309 )
     ((attr store1 < 1.412 and attr store1 > 1.352 ) and 
      (bondedto (attr store1 < 117.638109131  and attr store1 > 116.838109131 ) or 
       bondedto (attr store1 < 69.914  and attr store1 > 69.114 ) or 
       bondedto (attr store1 < 22.1898908686  and attr store1 > 21.3898908686 ))) 
6 0.1 0.1 peak 2393 volume 17.61078 ppm1 1.382 ppm2 7.359
 
! ############### c13noe.2394 folded +
assi (attr store1 < 4.654 and attr store1 > 4.554 )
     ((attr store1 < 1.413 and attr store1 > 1.353 ) and 
      (bondedto (attr store1 < 117.649109131  and attr store1 > 116.849109131 ) or 
       bondedto (attr store1 < 69.925  and attr store1 > 69.125 ) or 
       bondedto (attr store1 < 22.2008908686  and attr store1 > 21.4008908686 ))) 
6 0.1 0.1 peak 2394 volume 48.94740 ppm1 1.383 ppm2 4.604
 
! ############### c13noe.2395 folded +
assi (attr store1 < 8.872 and attr store1 > 8.772 )
     ((attr store1 < 0.991 and attr store1 > 0.931 ) and 
      (bondedto (attr store1 < 117.704109131  and attr store1 > 116.904109131 ) or 
       bondedto (attr store1 < 69.98  and attr store1 > 69.18 ) or 
       bondedto (attr store1 < 22.2558908686  and attr store1 > 21.4558908686 ))) 
6 0.1 0.1 peak 2395 volume 7.73666 ppm1 0.961 ppm2 8.822
 
! ############### c13noe.2396 folded +
assi (attr store1 < 4.296 and attr store1 > 4.196 )
     ((attr store1 < 0.992 and attr store1 > 0.932 ) and 
      (bondedto (attr store1 < 117.688109131  and attr store1 > 116.888109131 ) or 
       bondedto (attr store1 < 69.964  and attr store1 > 69.164 ) or 
       bondedto (attr store1 < 22.2398908686  and attr store1 > 21.4398908686 ))) 
6 0.1 0.1 peak 2396 volume 13.58704 ppm1 0.962 ppm2 4.246
 
! ############### c13noe.2397 folded +
assi (attr store1 < 4.062 and attr store1 > 3.962 )
     ((attr store1 < 0.992 and attr store1 > 0.932 ) and 
      (bondedto (attr store1 < 117.685109131  and attr store1 > 116.885109131 ) or 
       bondedto (attr store1 < 69.961  and attr store1 > 69.161 ) or 
       bondedto (attr store1 < 22.2368908686  and attr store1 > 21.4368908686 ))) 
6 0.1 0.1 peak 2397 volume 35.04123 ppm1 0.962 ppm2 4.012
 
! ############### c13noe.2398 folded +
assi (attr store1 < 3.727 and attr store1 > 3.627 )
     ((attr store1 < 0.992 and attr store1 > 0.932 ) and 
      (bondedto (attr store1 < 117.718109131  and attr store1 > 116.918109131 ) or 
       bondedto (attr store1 < 69.994  and attr store1 > 69.194 ) or 
       bondedto (attr store1 < 22.2698908686  and attr store1 > 21.4698908686 ))) 
6 0.1 0.1 peak 2398 volume 16.77823 ppm1 0.962 ppm2 3.677
 
! ############### c13noe.2399 folded +
assi (attr store1 < 3.645 and attr store1 > 3.545 )
     ((attr store1 < 0.992 and attr store1 > 0.932 ) and 
      (bondedto (attr store1 < 117.700109131  and attr store1 > 116.900109131 ) or 
       bondedto (attr store1 < 69.976  and attr store1 > 69.176 ) or 
       bondedto (attr store1 < 22.2518908686  and attr store1 > 21.4518908686 ))) 
6 0.1 0.1 peak 2399 volume 21.52222 ppm1 0.962 ppm2 3.595
 
! ############### c13noe.2400 folded +
assi (attr store1 < 8.32 and attr store1 > 8.22 )
     ((attr store1 < 0.989 and attr store1 > 0.929 ) and 
      (bondedto (attr store1 < 117.693109131  and attr store1 > 116.893109131 ) or 
       bondedto (attr store1 < 69.969  and attr store1 > 69.169 ) or 
       bondedto (attr store1 < 22.2448908686  and attr store1 > 21.4448908686 ))) 
6 0.1 0.1 peak 2400 volume 11.73747 ppm1 0.959 ppm2 8.270
 
! ############### c13noe.2401 folded -
assi (attr store1 < 3.724 and attr store1 > 3.624 )
     ((attr store1 < 3.867 and attr store1 > 3.807 ) and 
      (bondedto (attr store1 < 93.7820545657  and attr store1 > 92.9820545657 ) or 
       bondedto (attr store1 < 141.506163697  and attr store1 > 140.706163697) or 
       bondedto (attr store1 < 46.0579454343  and attr store1 > 45.2579454343 ))) 
6 0.1 0.1 peak 2401 volume 14.4464 ppm1 3.837 ppm2 3.674
 
! ############### c13noe.2402 folded -
assi (attr store1 < 1.952 and attr store1 > 1.852 )
     ((attr store1 < 1.833 and attr store1 > 1.773 ) and 
      (bondedto (attr store1 < 93.7840545657  and attr store1 > 92.9840545657 ) or 
       bondedto (attr store1 < 141.508163697  and attr store1 > 140.708163697) or 
       bondedto (attr store1 < 46.0599454343  and attr store1 > 45.2599454343 ))) 
6 0.1 0.1 peak 2402 volume 20.26003 ppm1 1.803 ppm2 1.902
 
! ############### c13noe.2403 folded +
assi (attr store1 < 8.143 and attr store1 > 8.043 )
     ((attr store1 < 1.412 and attr store1 > 1.352 ) and 
      (bondedto (attr store1 < 117.620109131  and attr store1 > 116.820109131 ) or 
       bondedto (attr store1 < 69.896  and attr store1 > 69.096 ) or 
       bondedto (attr store1 < 22.1718908686  and attr store1 > 21.3718908686 ))) 
6 0.1 0.1 peak 2403 volume 9.37997 ppm1 1.382 ppm2 8.093
 
! ############### c13noe.2404 folded +
assi (attr store1 < 7.868 and attr store1 > 7.768 )
     ((attr store1 < 1.043 and attr store1 > 0.983 ) and 
      (bondedto (attr store1 < 117.598109131  and attr store1 > 116.798109131 ) or 
       bondedto (attr store1 < 69.874  and attr store1 > 69.074 ) or 
       bondedto (attr store1 < 22.1498908686  and attr store1 > 21.3498908686 ))) 
6 0.1 0.1 peak 2404 volume 13.94572 ppm1 1.013 ppm2 7.818
 
! ############### c13noe.2405 folded +
assi (attr store1 < 7.479 and attr store1 > 7.379 )
     ((attr store1 < 1.042 and attr store1 > 0.982 ) and 
      (bondedto (attr store1 < 117.562109131  and attr store1 > 116.762109131 ) or 
       bondedto (attr store1 < 69.838  and attr store1 > 69.038 ) or 
       bondedto (attr store1 < 22.1138908686  and attr store1 > 21.3138908686 ))) 
6 0.1 0.1 peak 2405 volume 43.91692 ppm1 1.012 ppm2 7.429
 
! ############### c13noe.2406 folded +
assi (attr store1 < 4.438 and attr store1 > 4.338 )
     ((attr store1 < 1.041 and attr store1 > 0.981 ) and 
      (bondedto (attr store1 < 117.581109131  and attr store1 > 116.781109131 ) or 
       bondedto (attr store1 < 69.857  and attr store1 > 69.057 ) or 
       bondedto (attr store1 < 22.1328908686  and attr store1 > 21.3328908686 ))) 
6 0.1 0.1 peak 2406 volume 89.15498 ppm1 1.011 ppm2 4.388
 
! ############### c13noe.2407 folded +
assi (attr store1 < 2.513 and attr store1 > 2.413 )
     ((attr store1 < 1.042 and attr store1 > 0.982 ) and 
      (bondedto (attr store1 < 117.595109131  and attr store1 > 116.795109131 ) or 
       bondedto (attr store1 < 69.871  and attr store1 > 69.071 ) or 
       bondedto (attr store1 < 22.1468908686  and attr store1 > 21.3468908686 ))) 
6 0.1 0.1 peak 2407 volume 144.76256 ppm1 1.012 ppm2 2.463
 
! ############### c13noe.2408 folded +
assi (attr store1 < 9.231 and attr store1 > 9.131 )
     ((attr store1 < 0.937 and attr store1 > 0.877 ) and 
      (bondedto (attr store1 < 117.577109131  and attr store1 > 116.777109131 ) or 
       bondedto (attr store1 < 69.853  and attr store1 > 69.053 ) or 
       bondedto (attr store1 < 22.1288908686  and attr store1 > 21.3288908686 ))) 
6 0.1 0.1 peak 2408 volume 15.86520 ppm1 0.907 ppm2 9.181
 
! ############### c13noe.2409 folded +
assi (attr store1 < 8.029 and attr store1 > 7.929 )
     ((attr store1 < 0.937 and attr store1 > 0.877 ) and 
      (bondedto (attr store1 < 117.568109131  and attr store1 > 116.768109131 ) or 
       bondedto (attr store1 < 69.844  and attr store1 > 69.044 ) or 
       bondedto (attr store1 < 22.1198908686  and attr store1 > 21.3198908686 ))) 
6 0.1 0.1 peak 2409 volume 36.58371 ppm1 0.907 ppm2 7.979
 
! ############### c13noe.2410 folded +
assi (attr store1 < 7.029 and attr store1 > 6.929 )
     ((attr store1 < 0.936 and attr store1 > 0.876 ) and 
      (bondedto (attr store1 < 117.566109131  and attr store1 > 116.766109131 ) or 
       bondedto (attr store1 < 69.842  and attr store1 > 69.042 ) or 
       bondedto (attr store1 < 22.1178908686  and attr store1 > 21.3178908686 ))) 
6 0.1 0.1 peak 2410 volume 16.70887 ppm1 0.906 ppm2 6.979
 
! ############### c13noe.2411 folded +
assi (attr store1 < 3.541 and attr store1 > 3.441 )
     ((attr store1 < 0.936 and attr store1 > 0.876 ) and 
      (bondedto (attr store1 < 117.582109131  and attr store1 > 116.782109131 ) or 
       bondedto (attr store1 < 69.858  and attr store1 > 69.058 ) or 
       bondedto (attr store1 < 22.1338908686  and attr store1 > 21.3338908686 ))) 
6 0.1 0.1 peak 2411 volume 49.26871 ppm1 0.906 ppm2 3.491
 
! ############### c13noe.2412 folded +
assi (attr store1 < 2.104 and attr store1 > 2.004 )
     ((attr store1 < 0.937 and attr store1 > 0.877 ) and 
      (bondedto (attr store1 < 117.570109131  and attr store1 > 116.770109131 ) or 
       bondedto (attr store1 < 69.846  and attr store1 > 69.046 ) or 
       bondedto (attr store1 < 22.1218908686  and attr store1 > 21.3218908686 ))) 
6 0.1 0.1 peak 2412 volume 94.08571 ppm1 0.907 ppm2 2.054
 
! ############### c13noe.2413 folded -
assi (attr store1 < 3.302 and attr store1 > 3.202 )
     ((attr store1 < 3.19 and attr store1 > 3.13 ) and 
      (bondedto (attr store1 < 93.6720545657  and attr store1 > 92.8720545657 ) or 
       bondedto (attr store1 < 141.396163697  and attr store1 > 140.596163697) or 
       bondedto (attr store1 < 45.9479454343  and attr store1 > 45.1479454343 ))) 
6 0.1 0.1 peak 2413 volume 25.88528 ppm1 3.160 ppm2 3.252
 
! ############### c13noe.2414 folded +
assi (attr store1 < 2.109 and attr store1 > 2.009 )
     ((attr store1 < 1.985 and attr store1 > 1.925 ) and 
      (bondedto (attr store1 < 117.522109131  and attr store1 > 116.722109131 ) or 
       bondedto (attr store1 < 69.798  and attr store1 > 68.998 ) or 
       bondedto (attr store1 < 22.0738908686  and attr store1 > 21.2738908686 ))) 
6 0.1 0.1 peak 2414 volume 13.03287 ppm1 1.955 ppm2 2.059
 
! ############### c13noe.2415 folded -
assi (attr store1 < 8.396 and attr store1 > 8.296 )
     ((attr store1 < 4.041 and attr store1 > 3.981 ) and 
      (bondedto (attr store1 < 93.6500545657  and attr store1 > 92.8500545657 ) or 
       bondedto (attr store1 < 141.374163697  and attr store1 > 140.574163697) or 
       bondedto (attr store1 < 45.9259454343  and attr store1 > 45.1259454343 ))) 
6 0.1 0.1 peak 2415 volume 47.09228 ppm1 4.011 ppm2 8.346
 
! ############### c13noe.2416 folded -
assi (attr store1 < 8.338 and attr store1 > 8.238 )
     ((attr store1 < 4.042 and attr store1 > 3.982 ) and 
      (bondedto (attr store1 < 93.6320545657  and attr store1 > 92.8320545657 ) or 
       bondedto (attr store1 < 141.356163697  and attr store1 > 140.556163697) or 
       bondedto (attr store1 < 45.9079454343  and attr store1 > 45.1079454343 ))) 
6 0.1 0.1 peak 2416 volume 32.44933 ppm1 4.012 ppm2 8.288
 
! ############### c13noe.2417 folded -
assi (attr store1 < 0.938 and attr store1 > 0.838 )
     ((attr store1 < 4.031 and attr store1 > 3.971 ) and 
      (bondedto (attr store1 < 93.6340545657  and attr store1 > 92.8340545657 ) or 
       bondedto (attr store1 < 141.358163697  and attr store1 > 140.558163697) or 
       bondedto (attr store1 < 45.9099454343  and attr store1 > 45.1099454343 ))) 
6 0.1 0.1 peak 2417 volume 21.24276 ppm1 4.001 ppm2 0.888
 
! ############### c13noe.2418 folded -
assi (attr store1 < 7.999 and attr store1 > 7.899 )
     ((attr store1 < 3.999 and attr store1 > 3.939 ) and 
      (bondedto (attr store1 < 93.5920545657  and attr store1 > 92.7920545657 ) or 
       bondedto (attr store1 < 141.316163697  and attr store1 > 140.516163697) or 
       bondedto (attr store1 < 45.8679454343  and attr store1 > 45.0679454343 ))) 
6 0.1 0.1 peak 2418 volume 20.37796 ppm1 3.969 ppm2 7.949
 
! ############### c13noe.2419 folded +
assi (attr store1 < 4.071 and attr store1 > 3.971 )
     ((attr store1 < 1.183 and attr store1 > 1.123 ) and 
      (bondedto (attr store1 < 117.386109131  and attr store1 > 116.586109131 ) or 
       bondedto (attr store1 < 69.662  and attr store1 > 68.862 ) or 
       bondedto (attr store1 < 21.9378908686  and attr store1 > 21.1378908686 ))) 
6 0.1 0.1 peak 2419 volume 17.13730 ppm1 1.153 ppm2 4.021
 
! ############### c13noe.2420 folded +
assi (attr store1 < 2.83 and attr store1 > 2.73 )
     ((attr store1 < 1.184 and attr store1 > 1.124 ) and 
      (bondedto (attr store1 < 117.347109131  and attr store1 > 116.547109131 ) or 
       bondedto (attr store1 < 69.623  and attr store1 > 68.823 ) or 
       bondedto (attr store1 < 21.8988908686  and attr store1 > 21.0988908686 ))) 
6 0.1 0.1 peak 2420 volume 25.24620 ppm1 1.154 ppm2 2.780
 
! ############### c13noe.2421 folded +
assi (attr store1 < 2.726 and attr store1 > 2.626 )
     ((attr store1 < 1.184 and attr store1 > 1.124 ) and 
      (bondedto (attr store1 < 117.350109131  and attr store1 > 116.550109131 ) or 
       bondedto (attr store1 < 69.626  and attr store1 > 68.826 ) or 
       bondedto (attr store1 < 21.9018908686  and attr store1 > 21.1018908686 ))) 
6 0.1 0.1 peak 2421 volume 23.43830 ppm1 1.154 ppm2 2.676
 
! ############### c13noe.2422 folded -
assi (attr store1 < 8.102 and attr store1 > 8.002 )
     ((attr store1 < 4.026 and attr store1 > 3.966 ) and 
      (bondedto (attr store1 < 93.5270545657  and attr store1 > 92.7270545657 ) or 
       bondedto (attr store1 < 141.251163697  and attr store1 > 140.451163697) or 
       bondedto (attr store1 < 45.8029454343  and attr store1 > 45.0029454343 ))) 
6 0.1 0.1 peak 2422 volume 100.92114 ppm1 3.996 ppm2 8.052
 
! ############### c13noe.2423 folded +
assi (attr store1 < 8.631 and attr store1 > 8.531 )
     ((attr store1 < 1.185 and attr store1 > 1.125 ) and 
      (bondedto (attr store1 < 117.320109131  and attr store1 > 116.520109131 ) or 
       bondedto (attr store1 < 69.596  and attr store1 > 68.796 ) or 
       bondedto (attr store1 < 21.8718908686  and attr store1 > 21.0718908686 ))) 
6 0.1 0.1 peak 2423 volume 16.60959 ppm1 1.155 ppm2 8.581
 
! ############### c13noe.2424 folded +
assi (attr store1 < 7.285 and attr store1 > 7.185 )
     ((attr store1 < 1.184 and attr store1 > 1.124 ) and 
      (bondedto (attr store1 < 117.324109131  and attr store1 > 116.524109131 ) or 
       bondedto (attr store1 < 69.6  and attr store1 > 68.8 ) or 
       bondedto (attr store1 < 21.8758908686  and attr store1 > 21.0758908686 ))) 
6 0.1 0.1 peak 2424 volume 24.47425 ppm1 1.154 ppm2 7.235
 
! ############### c13noe.2425 folded +
assi (attr store1 < 4.529 and attr store1 > 4.429 )
     ((attr store1 < 1.185 and attr store1 > 1.125 ) and 
      (bondedto (attr store1 < 117.335109131  and attr store1 > 116.535109131 ) or 
       bondedto (attr store1 < 69.611  and attr store1 > 68.811 ) or 
       bondedto (attr store1 < 21.8868908686  and attr store1 > 21.0868908686 ))) 
6 0.1 0.1 peak 2425 volume 8.39100 ppm1 1.155 ppm2 4.479
 
! ############### c13noe.2426 folded +
assi (attr store1 < 4.168 and attr store1 > 4.068 )
     ((attr store1 < 1.184 and attr store1 > 1.124 ) and 
      (bondedto (attr store1 < 117.323109131  and attr store1 > 116.523109131 ) or 
       bondedto (attr store1 < 69.599  and attr store1 > 68.799 ) or 
       bondedto (attr store1 < 21.8748908686  and attr store1 > 21.0748908686 ))) 
6 0.1 0.1 peak 2426 volume 38.42421 ppm1 1.154 ppm2 4.118
 
! ############### c13noe.2427 folded +
assi (attr store1 < 3.88 and attr store1 > 3.78 )
     ((attr store1 < 1.186 and attr store1 > 1.126 ) and 
      (bondedto (attr store1 < 117.324109131  and attr store1 > 116.524109131 ) or 
       bondedto (attr store1 < 69.6  and attr store1 > 68.8 ) or 
       bondedto (attr store1 < 21.8758908686  and attr store1 > 21.0758908686 ))) 
6 0.1 0.1 peak 2427 volume 13.74508 ppm1 1.156 ppm2 3.830
 
! ############### c13noe.2428 folded +
assi (attr store1 < 4.735 and attr store1 > 4.635 )
     ((attr store1 < 1.181 and attr store1 > 1.121 ) and 
      (bondedto (attr store1 < 117.286109131  and attr store1 > 116.486109131 ) or 
       bondedto (attr store1 < 69.562  and attr store1 > 68.762 ) or 
       bondedto (attr store1 < 21.8378908686  and attr store1 > 21.0378908686 ))) 
6 0.1 0.1 peak 2428 volume 8.45540 ppm1 1.151 ppm2 4.685
 
! ############### c13noe.2429 folded +
assi (attr store1 < 2.3 and attr store1 > 2.2 )
     ((attr store1 < 4.053 and attr store1 > 3.993 ) and 
      (bondedto (attr store1 < 117.196109131  and attr store1 > 116.396109131 ) or 
       bondedto (attr store1 < 69.472  and attr store1 > 68.672 ) or 
       bondedto (attr store1 < 21.7478908686  and attr store1 > 20.9478908686 ))) 
6 0.1 0.1 peak 2429 volume 11.47899 ppm1 4.023 ppm2 2.250
 
! ############### c13noe.2430 folded +
assi (attr store1 < 2.153 and attr store1 > 2.053 )
     ((attr store1 < 4.053 and attr store1 > 3.993 ) and 
      (bondedto (attr store1 < 117.204109131  and attr store1 > 116.404109131 ) or 
       bondedto (attr store1 < 69.48  and attr store1 > 68.68 ) or 
       bondedto (attr store1 < 21.7558908686  and attr store1 > 20.9558908686 ))) 
6 0.1 0.1 peak 2430 volume 7.48334 ppm1 4.023 ppm2 2.103
 
! ############### c13noe.2431 folded +
assi (attr store1 < 1.016 and attr store1 > 0.916 )
     ((attr store1 < 4.046 and attr store1 > 3.986 ) and 
      (bondedto (attr store1 < 117.175109131  and attr store1 > 116.375109131 ) or 
       bondedto (attr store1 < 69.451  and attr store1 > 68.651 ) or 
       bondedto (attr store1 < 21.7268908686  and attr store1 > 20.9268908686 ))) 
6 0.1 0.1 peak 2431 volume 27.54892 ppm1 4.016 ppm2 0.966
 
! ############### c13noe.2432 folded +
assi (attr store1 < 8.303 and attr store1 > 8.203 )
     ((attr store1 < 4.043 and attr store1 > 3.983 ) and 
      (bondedto (attr store1 < 117.175109131  and attr store1 > 116.375109131 ) or 
       bondedto (attr store1 < 69.451  and attr store1 > 68.651 ) or 
       bondedto (attr store1 < 21.7268908686  and attr store1 > 20.9268908686 ))) 
6 0.1 0.1 peak 2432 volume 13.74502 ppm1 4.013 ppm2 8.253
 
! ############### c13noe.2433 folded -
assi (attr store1 < 3.215 and attr store1 > 3.115 )
     ((attr store1 < 3.285 and attr store1 > 3.225 ) and 
      (bondedto (attr store1 < 93.3610545657  and attr store1 > 92.5610545657 ) or 
       bondedto (attr store1 < 141.085163697  and attr store1 > 140.285163697) or 
       bondedto (attr store1 < 45.6369454343  and attr store1 > 44.8369454343 ))) 
6 0.1 0.1 peak 2433 volume 27.61129 ppm1 3.255 ppm2 3.165
 
! ############### c13noe.2434 folded -
assi (attr store1 < 2.021 and attr store1 > 1.921 )
     ((attr store1 < 2.345 and attr store1 > 2.285 ) and 
      (bondedto (attr store1 < 93.3090545657  and attr store1 > 92.5090545657 ) or 
       bondedto (attr store1 < 141.033163697  and attr store1 > 140.233163697) or 
       bondedto (attr store1 < 45.5849454343  and attr store1 > 44.7849454343 ))) 
6 0.1 0.1 peak 2434 volume 23.55858 ppm1 2.315 ppm2 1.971
 
! ############### c13noe.2435 folded +
assi (attr store1 < 8.091 and attr store1 > 7.991 )
     ((attr store1 < 4.213 and attr store1 > 4.153 ) and 
      (bondedto (attr store1 < 117.092109131  and attr store1 > 116.292109131 ) or 
       bondedto (attr store1 < 69.368  and attr store1 > 68.568 ) or 
       bondedto (attr store1 < 21.6438908686  and attr store1 > 20.8438908686 ))) 
6 0.1 0.1 peak 2435 volume 22.46535 ppm1 4.183 ppm2 8.041
 
! ############### c13noe.2436 folded +
assi (attr store1 < 7.462 and attr store1 > 7.362 )
     ((attr store1 < 4.213 and attr store1 > 4.153 ) and 
      (bondedto (attr store1 < 117.092109131  and attr store1 > 116.292109131 ) or 
       bondedto (attr store1 < 69.368  and attr store1 > 68.568 ) or 
       bondedto (attr store1 < 21.6438908686  and attr store1 > 20.8438908686 ))) 
6 0.1 0.1 peak 2436 volume 12.93704 ppm1 4.183 ppm2 7.412
 
! ############### c13noe.2437 folded +
assi (attr store1 < 1.555 and attr store1 > 1.455 )
     ((attr store1 < 4.213 and attr store1 > 4.153 ) and 
      (bondedto (attr store1 < 117.115109131  and attr store1 > 116.315109131 ) or 
       bondedto (attr store1 < 69.391  and attr store1 > 68.591 ) or 
       bondedto (attr store1 < 21.6668908686  and attr store1 > 20.8668908686 ))) 
6 0.1 0.1 peak 2437 volume 7.43311 ppm1 4.183 ppm2 1.505
 
! ############### c13noe.2438 folded +
assi (attr store1 < 1.288 and attr store1 > 1.188 )
     ((attr store1 < 4.215 and attr store1 > 4.155 ) and 
      (bondedto (attr store1 < 117.088109131  and attr store1 > 116.288109131 ) or 
       bondedto (attr store1 < 69.364  and attr store1 > 68.564 ) or 
       bondedto (attr store1 < 21.6398908686  and attr store1 > 20.8398908686 ))) 
6 0.1 0.1 peak 2438 volume 49.20692 ppm1 4.185 ppm2 1.238
 
! ############### c13noe.2439 folded +
assi (attr store1 < 1.178 and attr store1 > 1.078 )
     ((attr store1 < 4.04 and attr store1 > 3.98 ) and 
      (bondedto (attr store1 < 117.142109131  and attr store1 > 116.342109131 ) or 
       bondedto (attr store1 < 69.418  and attr store1 > 68.618 ) or 
       bondedto (attr store1 < 21.6938908686  and attr store1 > 20.8938908686 ))) 
6 0.1 0.1 peak 2439 volume 33.10490 ppm1 4.010 ppm2 1.128
 
! ############### c13noe.2440 folded +
assi (attr store1 < 3.72 and attr store1 > 3.62 )
     ((attr store1 < 3.866 and attr store1 > 3.806 ) and 
      (bondedto (attr store1 < 117.118109131  and attr store1 > 116.318109131 ) or 
       bondedto (attr store1 < 69.394  and attr store1 > 68.594 ) or 
       bondedto (attr store1 < 21.6698908686  and attr store1 > 20.8698908686 ))) 
6 0.1 0.1 peak 2440 volume 16.49584 ppm1 3.836 ppm2 3.670
 
! ############### c13noe.2441 folded +
assi (attr store1 < 1.953 and attr store1 > 1.853 )
     ((attr store1 < 2.026 and attr store1 > 1.966 ) and 
      (bondedto (attr store1 < 117.124109131  and attr store1 > 116.324109131 ) or 
       bondedto (attr store1 < 69.4  and attr store1 > 68.6 ) or 
       bondedto (attr store1 < 21.6758908686  and attr store1 > 20.8758908686 ))) 
6 0.1 0.1 peak 2441 volume 14.63830 ppm1 1.996 ppm2 1.903
 
! ############### c13noe.2442 folded +
assi (attr store1 < 1.953 and attr store1 > 1.853 )
     ((attr store1 < 1.838 and attr store1 > 1.778 ) and 
      (bondedto (attr store1 < 117.129109131  and attr store1 > 116.329109131 ) or 
       bondedto (attr store1 < 69.405  and attr store1 > 68.605 ) or 
       bondedto (attr store1 < 21.6808908686  and attr store1 > 20.8808908686 ))) 
6 0.1 0.1 peak 2442 volume 16.61428 ppm1 1.808 ppm2 1.903
 
! ############### c13noe.2443 folded -
assi (attr store1 < 2.361 and attr store1 > 2.261 )
     ((attr store1 < 1.977 and attr store1 > 1.917 ) and 
      (bondedto (attr store1 < 93.2340545657  and attr store1 > 92.4340545657 ) or 
       bondedto (attr store1 < 140.958163697  and attr store1 > 140.158163697) or 
       bondedto (attr store1 < 45.5099454343  and attr store1 > 44.7099454343 ))) 
6 0.1 0.1 peak 2443 volume 15.79387 ppm1 1.947 ppm2 2.311
 
! ############### c13noe.2444 folded -
assi (attr store1 < 4.431 and attr store1 > 4.331 )
     ((attr store1 < 1.036 and attr store1 > 0.976 ) and 
      (bondedto (attr store1 < 93.2280545657  and attr store1 > 92.4280545657 ) or 
       bondedto (attr store1 < 140.952163697  and attr store1 > 140.152163697) or 
       bondedto (attr store1 < 45.5039454343  and attr store1 > 44.7039454343 ))) 
6 0.1 0.1 peak 2444 volume 7.43072 ppm1 1.006 ppm2 4.381
 
! ############### c13noe.2445 folded +
assi (attr store1 < 4.737 and attr store1 > 4.637 )
     ((attr store1 < 4.213 and attr store1 > 4.153 ) and 
      (bondedto (attr store1 < 117.041109131  and attr store1 > 116.241109131 ) or 
       bondedto (attr store1 < 69.317  and attr store1 > 68.517 ) or 
       bondedto (attr store1 < 21.5928908686  and attr store1 > 20.7928908686 ))) 
6 0.1 0.1 peak 2445 volume 22.20627 ppm1 4.183 ppm2 4.687
 
! ############### c13noe.2446 folded +
assi (attr store1 < 3.971 and attr store1 > 3.871 )
     ((attr store1 < 4.211 and attr store1 > 4.151 ) and 
      (bondedto (attr store1 < 117.029109131  and attr store1 > 116.229109131 ) or 
       bondedto (attr store1 < 69.305  and attr store1 > 68.505 ) or 
       bondedto (attr store1 < 21.5808908686  and attr store1 > 20.7808908686 ))) 
6 0.1 0.1 peak 2446 volume 15.57365 ppm1 4.181 ppm2 3.921
 
! ############### c13noe.2447 folded +
assi (attr store1 < 0.975 and attr store1 > 0.875 )
     ((attr store1 < 1.927 and attr store1 > 1.867 ) and 
      (bondedto (attr store1 < 117.053109131  and attr store1 > 116.253109131 ) or 
       bondedto (attr store1 < 69.329  and attr store1 > 68.529 ) or 
       bondedto (attr store1 < 21.6048908686  and attr store1 > 20.8048908686 ))) 
6 0.1 0.1 peak 2447 volume 14.35807 ppm1 1.897 ppm2 0.925
 
! ############### c13noe.2448 folded +
assi (attr store1 < 4.341 and attr store1 > 4.241 )
     ((attr store1 < 1.349 and attr store1 > 1.289 ) and 
      (bondedto (attr store1 < 116.899109131  and attr store1 > 116.099109131 ) or 
       bondedto (attr store1 < 69.175  and attr store1 > 68.375 ) or 
       bondedto (attr store1 < 21.4508908686  and attr store1 > 20.6508908686 ))) 
6 0.1 0.1 peak 2448 volume 7.80448 ppm1 1.319 ppm2 4.291
 
! ############### c13noe.2449 folded +
assi (attr store1 < 4.232 and attr store1 > 4.132 )
     ((attr store1 < 1.269 and attr store1 > 1.209 ) and 
      (bondedto (attr store1 < 116.952109131  and attr store1 > 116.152109131 ) or 
       bondedto (attr store1 < 69.228  and attr store1 > 68.428 ) or 
       bondedto (attr store1 < 21.5038908686  and attr store1 > 20.7038908686 ))) 
6 0.1 0.1 peak 2449 volume 6.63230 ppm1 1.239 ppm2 4.182
 
! ############### c13noe.2450 folded +
assi (attr store1 < 7.968 and attr store1 > 7.868 )
     ((attr store1 < 4.327 and attr store1 > 4.267 ) and 
      (bondedto (attr store1 < 116.866109131  and attr store1 > 116.066109131 ) or 
       bondedto (attr store1 < 69.142  and attr store1 > 68.342 ) or 
       bondedto (attr store1 < 21.4178908686  and attr store1 > 20.6178908686 ))) 
6 0.1 0.1 peak 2450 volume 16.02632 ppm1 4.297 ppm2 7.918
 
! ############### c13noe.2451 folded +
assi (attr store1 < 4.739 and attr store1 > 4.639 )
     ((attr store1 < 4.328 and attr store1 > 4.268 ) and 
      (bondedto (attr store1 < 116.849109131  and attr store1 > 116.049109131 ) or 
       bondedto (attr store1 < 69.125  and attr store1 > 68.325 ) or 
       bondedto (attr store1 < 21.4008908686  and attr store1 > 20.6008908686 ))) 
6 0.1 0.1 peak 2451 volume 17.13271 ppm1 4.298 ppm2 4.689
 
! ############### c13noe.2452 folded +
assi (attr store1 < 4.092 and attr store1 > 3.992 )
     ((attr store1 < 4.326 and attr store1 > 4.266 ) and 
      (bondedto (attr store1 < 116.869109131  and attr store1 > 116.069109131 ) or 
       bondedto (attr store1 < 69.145  and attr store1 > 68.345 ) or 
       bondedto (attr store1 < 21.4208908686  and attr store1 > 20.6208908686 ))) 
6 0.1 0.1 peak 2452 volume 14.27482 ppm1 4.296 ppm2 4.042
 
! ############### c13noe.2453 folded +
assi (attr store1 < 1.368 and attr store1 > 1.268 )
     ((attr store1 < 4.326 and attr store1 > 4.266 ) and 
      (bondedto (attr store1 < 116.875109131  and attr store1 > 116.075109131 ) or 
       bondedto (attr store1 < 69.151  and attr store1 > 68.351 ) or 
       bondedto (attr store1 < 21.4268908686  and attr store1 > 20.6268908686 ))) 
6 0.1 0.1 peak 2453 volume 54.71790 ppm1 4.296 ppm2 1.318
 
! ############### c13noe.2454 folded +
assi (attr store1 < 8.481 and attr store1 > 8.381 )
     ((attr store1 < 4.32 and attr store1 > 4.26 ) and 
      (bondedto (attr store1 < 116.842109131  and attr store1 > 116.042109131 ) or 
       bondedto (attr store1 < 69.118  and attr store1 > 68.318 ) or 
       bondedto (attr store1 < 21.3938908686  and attr store1 > 20.5938908686 ))) 
6 0.1 0.1 peak 2454 volume 21.73159 ppm1 4.290 ppm2 8.431
 
! ############### c13noe.2455 folded +
assi (attr store1 < 4.061 and attr store1 > 3.961 )
     ((attr store1 < 1.128 and attr store1 > 1.068 ) and 
      (bondedto (attr store1 < 116.791109131  and attr store1 > 115.991109131 ) or 
       bondedto (attr store1 < 69.067  and attr store1 > 68.267 ) or 
       bondedto (attr store1 < 21.3428908686  and attr store1 > 20.5428908686 ))) 
6 0.1 0.1 peak 2455 volume 17.30463 ppm1 1.098 ppm2 4.011
 
! ############### c13noe.2456 folded +
assi (attr store1 < 1.511 and attr store1 > 1.411 )
     ((attr store1 < 4.521 and attr store1 > 4.461 ) and 
      (bondedto (attr store1 < 116.726109131  and attr store1 > 115.926109131 ) or 
       bondedto (attr store1 < 69.002  and attr store1 > 68.202 ) or 
       bondedto (attr store1 < 21.2778908686  and attr store1 > 20.4778908686 ))) 
6 0.1 0.1 peak 2456 volume 7.87240 ppm1 4.491 ppm2 1.461
 
! ############### c13noe.2457 folded +
assi (attr store1 < 1.767 and attr store1 > 1.667 )
     ((attr store1 < 4.487 and attr store1 > 4.427 ) and 
      (bondedto (attr store1 < 116.755109131  and attr store1 > 115.955109131 ) or 
       bondedto (attr store1 < 69.031  and attr store1 > 68.231 ) or 
       bondedto (attr store1 < 21.3068908686  and attr store1 > 20.5068908686 ))) 
6 0.1 0.1 peak 2457 volume 6.93645 ppm1 4.457 ppm2 1.717
 
! ############### c13noe.2458 folded +
assi (attr store1 < 1.138 and attr store1 > 1.038 )
     ((attr store1 < 4.461 and attr store1 > 4.401 ) and 
      (bondedto (attr store1 < 116.699109131  and attr store1 > 115.899109131 ) or 
       bondedto (attr store1 < 68.975  and attr store1 > 68.175 ) or 
       bondedto (attr store1 < 21.2508908686  and attr store1 > 20.4508908686 ))) 
6 0.1 0.1 peak 2458 volume 6.48002 ppm1 4.431 ppm2 1.088
 
! ############### c13noe.2459 folded +
assi (attr store1 < 7.276 and attr store1 > 7.176 )
     ((attr store1 < 1.128 and attr store1 > 1.068 ) and 
      (bondedto (attr store1 < 116.751109131  and attr store1 > 115.951109131 ) or 
       bondedto (attr store1 < 69.027  and attr store1 > 68.227 ) or 
       bondedto (attr store1 < 21.3028908686  and attr store1 > 20.5028908686 ))) 
6 0.1 0.1 peak 2459 volume 29.79882 ppm1 1.098 ppm2 7.226
 
! ############### c13noe.2460 folded +
assi (attr store1 < 4.728 and attr store1 > 4.628 )
     ((attr store1 < 1.131 and attr store1 > 1.071 ) and 
      (bondedto (attr store1 < 116.731109131  and attr store1 > 115.931109131 ) or 
       bondedto (attr store1 < 69.007  and attr store1 > 68.207 ) or 
       bondedto (attr store1 < 21.2828908686  and attr store1 > 20.4828908686 ))) 
6 0.1 0.1 peak 2460 volume 7.93453 ppm1 1.101 ppm2 4.678
 
! ############### c13noe.2461 folded +
assi (attr store1 < 8.621 and attr store1 > 8.521 )
     ((attr store1 < 1.125 and attr store1 > 1.065 ) and 
      (bondedto (attr store1 < 116.779109131  and attr store1 > 115.979109131 ) or 
       bondedto (attr store1 < 69.055  and attr store1 > 68.255 ) or 
       bondedto (attr store1 < 21.3308908686  and attr store1 > 20.5308908686 ))) 
6 0.1 0.1 peak 2461 volume 13.66941 ppm1 1.095 ppm2 8.571
 
! ############### c13noe.2462 folded +
assi (attr store1 < 4.543 and attr store1 > 4.443 )
     ((attr store1 < 1.126 and attr store1 > 1.066 ) and 
      (bondedto (attr store1 < 116.771109131  and attr store1 > 115.971109131 ) or 
       bondedto (attr store1 < 69.047  and attr store1 > 68.247 ) or 
       bondedto (attr store1 < 21.3228908686  and attr store1 > 20.5228908686 ))) 
6 0.1 0.1 peak 2462 volume 7.94864 ppm1 1.096 ppm2 4.493
 
! ############### c13noe.2463 folded +
assi (attr store1 < 4.173 and attr store1 > 4.073 )
     ((attr store1 < 1.124 and attr store1 > 1.064 ) and 
      (bondedto (attr store1 < 116.747109131  and attr store1 > 115.947109131 ) or 
       bondedto (attr store1 < 69.023  and attr store1 > 68.223 ) or 
       bondedto (attr store1 < 21.2988908686  and attr store1 > 20.4988908686 ))) 
6 0.1 0.1 peak 2463 volume 24.50713 ppm1 1.094 ppm2 4.123
 
! ############### c13noe.2464 folded -
assi (attr store1 < 1.321 and attr store1 > 1.221 )
     ((attr store1 < 4.522 and attr store1 > 4.462 ) and 
      (bondedto (attr store1 < 92.8440545657  and attr store1 > 92.0440545657 ) or 
       bondedto (attr store1 < 140.568163697  and attr store1 > 139.768163697) or 
       bondedto (attr store1 < 45.1199454343  and attr store1 > 44.3199454343 ))) 
6 0.1 0.1 peak 2464 volume 7.19805 ppm1 4.492 ppm2 1.271
 
! ############### c13noe.2465 folded -
assi (attr store1 < 0.881 and attr store1 > 0.781 )
     ((attr store1 < 4.439 and attr store1 > 4.379 ) and 
      (bondedto (attr store1 < 92.8750545657  and attr store1 > 92.0750545657 ) or 
       bondedto (attr store1 < 140.599163697  and attr store1 > 139.799163697) or 
       bondedto (attr store1 < 45.1509454343  and attr store1 > 44.3509454343 ))) 
6 0.1 0.1 peak 2465 volume 8.15993 ppm1 4.409 ppm2 0.831
 
! ############### c13noe.2466 folded -
assi (attr store1 < 1.859 and attr store1 > 1.759 )
     ((attr store1 < 1.941 and attr store1 > 1.881 ) and 
      (bondedto (attr store1 < 92.8640545657  and attr store1 > 92.0640545657 ) or 
       bondedto (attr store1 < 140.588163697  and attr store1 > 139.788163697) or 
       bondedto (attr store1 < 45.1399454343  and attr store1 > 44.3399454343 ))) 
6 0.1 0.1 peak 2466 volume 23.34346 ppm1 1.911 ppm2 1.809
 
! ############### c13noe.2467 folded -
assi (attr store1 < 1.954 and attr store1 > 1.854 )
     ((attr store1 < 1.832 and attr store1 > 1.772 ) and 
      (bondedto (attr store1 < 92.8670545657  and attr store1 > 92.0670545657 ) or 
       bondedto (attr store1 < 140.591163697  and attr store1 > 139.791163697) or 
       bondedto (attr store1 < 45.1429454343  and attr store1 > 44.3429454343 ))) 
6 0.1 0.1 peak 2467 volume 16.72676 ppm1 1.802 ppm2 1.904
 
! ############### c13noe.2468 folded -
assi (attr store1 < 3.731 and attr store1 > 3.631 )
     ((attr store1 < 3.867 and attr store1 > 3.807 ) and 
      (bondedto (attr store1 < 92.8270545657  and attr store1 > 92.0270545657 ) or 
       bondedto (attr store1 < 140.551163697  and attr store1 > 139.751163697) or 
       bondedto (attr store1 < 45.1029454343  and attr store1 > 44.3029454343 ))) 
6 0.1 0.1 peak 2468 volume 15.3052 ppm1 3.837 ppm2 3.681
 
! ############### c13noe.2469 folded -
assi (attr store1 < 1.51 and attr store1 > 1.41 )
     ((attr store1 < 1.216 and attr store1 > 1.156 ) and 
      (bondedto (attr store1 < 92.7750545657  and attr store1 > 91.9750545657 ) or 
       bondedto (attr store1 < 140.499163697  and attr store1 > 139.699163697) or 
       bondedto (attr store1 < 45.0509454343  and attr store1 > 44.2509454343 ))) 
6 0.1 0.1 peak 2469 volume 9.35711 ppm1 1.186 ppm2 1.460
 
! ############### c13noe.2470 folded -
assi (attr store1 < 1.769 and attr store1 > 1.669 )
     ((attr store1 < 3.316 and attr store1 > 3.256 ) and 
      (bondedto (attr store1 < 92.6730545657  and attr store1 > 91.8730545657 ) or 
       bondedto (attr store1 < 140.397163697  and attr store1 > 139.597163697) or 
       bondedto (attr store1 < 44.9489454343  and attr store1 > 44.1489454343 ))) 
6 0.1 0.1 peak 2470 volume 8.26072 ppm1 3.286 ppm2 1.719
 
! ############### c13noe.2471 folded -
assi (attr store1 < 1.748 and attr store1 > 1.648 )
     ((attr store1 < 3.229 and attr store1 > 3.169 ) and 
      (bondedto (attr store1 < 92.6640545657  and attr store1 > 91.8640545657 ) or 
       bondedto (attr store1 < 140.388163697  and attr store1 > 139.588163697) or 
       bondedto (attr store1 < 44.9399454343  and attr store1 > 44.1399454343 ))) 
6 0.1 0.1 peak 2471 volume 9.71493 ppm1 3.199 ppm2 1.698
 
! ############### c13noe.2472 folded -
assi (attr store1 < 0.929 and attr store1 > 0.829 )
     ((attr store1 < 1.222 and attr store1 > 1.162 ) and 
      (bondedto (attr store1 < 92.6820545657  and attr store1 > 91.8820545657 ) or 
       bondedto (attr store1 < 140.406163697  and attr store1 > 139.606163697) or 
       bondedto (attr store1 < 44.9579454343  and attr store1 > 44.1579454343 ))) 
6 0.1 0.1 peak 2472 volume 10.4581 ppm1 1.192 ppm2 0.879
 
! ############### c13noe.2473 folded -
assi (attr store1 < 0.837 and attr store1 > 0.737 )
     ((attr store1 < 0.523 and attr store1 > 0.463 ) and 
      (bondedto (attr store1 < 92.7370545657  and attr store1 > 91.9370545657 ) or 
       bondedto (attr store1 < 140.461163697  and attr store1 > 139.661163697) or 
       bondedto (attr store1 < 45.0129454343  and attr store1 > 44.2129454343 ))) 
6 0.1 0.1 peak 2473 volume 9.90361 ppm1 0.493 ppm2 0.787
 
! ############### c13noe.2474 folded +
assi (attr store1 < 2.46 and attr store1 > 2.36 )
     ((attr store1 < 3.371 and attr store1 > 3.311 ) and 
      (bondedto (attr store1 < 116.438109131  and attr store1 > 115.638109131 ) or 
       bondedto (attr store1 < 68.714  and attr store1 > 67.914 ) or 
       bondedto (attr store1 < 20.9898908686  and attr store1 > 20.1898908686 ))) 
6 0.1 0.1 peak 2474 volume 12.50901 ppm1 3.341 ppm2 2.410
 
! ############### c13noe.2475 folded +
assi (attr store1 < 1.457 and attr store1 > 1.357 )
     ((attr store1 < 3.366 and attr store1 > 3.306 ) and 
      (bondedto (attr store1 < 116.441109131  and attr store1 > 115.641109131 ) or 
       bondedto (attr store1 < 68.717  and attr store1 > 67.917 ) or 
       bondedto (attr store1 < 20.9928908686  and attr store1 > 20.1928908686 ))) 
6 0.1 0.1 peak 2475 volume 9.18486 ppm1 3.336 ppm2 1.407
 
! ############### c13noe.2476 folded +
assi (attr store1 < 0.931 and attr store1 > 0.831 )
     ((attr store1 < 3.368 and attr store1 > 3.308 ) and 
      (bondedto (attr store1 < 116.424109131  and attr store1 > 115.624109131 ) or 
       bondedto (attr store1 < 68.7  and attr store1 > 67.9 ) or 
       bondedto (attr store1 < 20.9758908686  and attr store1 > 20.1758908686 ))) 
6 0.1 0.1 peak 2476 volume 31.92430 ppm1 3.338 ppm2 0.881
 
! ############### c13noe.2477 folded +
assi (attr store1 < 8.474 and attr store1 > 8.374 )
     ((attr store1 < 3.362 and attr store1 > 3.302 ) and 
      (bondedto (attr store1 < 116.420109131  and attr store1 > 115.620109131 ) or 
       bondedto (attr store1 < 68.696  and attr store1 > 67.896 ) or 
       bondedto (attr store1 < 20.9718908686  and attr store1 > 20.1718908686 ))) 
6 0.1 0.1 peak 2477 volume 14.40667 ppm1 3.332 ppm2 8.424
 
! ############### c13noe.2478 folded -
assi (attr store1 < 2.035 and attr store1 > 1.935 )
     ((attr store1 < 3.318 and attr store1 > 3.258 ) and 
      (bondedto (attr store1 < 92.5730545657  and attr store1 > 91.7730545657 ) or 
       bondedto (attr store1 < 140.297163697  and attr store1 > 139.497163697) or 
       bondedto (attr store1 < 44.8489454343  and attr store1 > 44.0489454343 ))) 
6 0.1 0.1 peak 2478 volume 11.87644 ppm1 3.288 ppm2 1.985
 
! ############### c13noe.2479 folded -
assi (attr store1 < 4.735 and attr store1 > 4.635 )
     ((attr store1 < 3.311 and attr store1 > 3.251 ) and 
      (bondedto (attr store1 < 92.5890545657  and attr store1 > 91.7890545657 ) or 
       bondedto (attr store1 < 140.313163697  and attr store1 > 139.513163697) or 
       bondedto (attr store1 < 44.8649454343  and attr store1 > 44.0649454343 ))) 
6 0.1 0.1 peak 2479 volume 7.22917 ppm1 3.281 ppm2 4.685
 
! ############### c13noe.2480 folded -
assi (attr store1 < 3.227 and attr store1 > 3.127 )
     ((attr store1 < 3.285 and attr store1 > 3.225 ) and 
      (bondedto (attr store1 < 92.5730545657  and attr store1 > 91.7730545657 ) or 
       bondedto (attr store1 < 140.297163697  and attr store1 > 139.497163697) or 
       bondedto (attr store1 < 44.8489454343  and attr store1 > 44.0489454343 ))) 
6 0.1 0.1 peak 2480 volume 52.65471 ppm1 3.255 ppm2 3.177
 
! ############### c13noe.2481 folded -
assi (attr store1 < 7.111 and attr store1 > 7.011 )
     ((attr store1 < 3.229 and attr store1 > 3.169 ) and 
      (bondedto (attr store1 < 92.5930545657  and attr store1 > 91.7930545657 ) or 
       bondedto (attr store1 < 140.317163697  and attr store1 > 139.517163697) or 
       bondedto (attr store1 < 44.8689454343  and attr store1 > 44.0689454343 ))) 
6 0.1 0.1 peak 2481 volume 6.27192 ppm1 3.199 ppm2 7.061
 
! ############### c13noe.2482 folded -
assi (attr store1 < 2.114 and attr store1 > 2.014 )
     ((attr store1 < 3.228 and attr store1 > 3.168 ) and 
      (bondedto (attr store1 < 92.5760545657  and attr store1 > 91.7760545657 ) or 
       bondedto (attr store1 < 140.300163697  and attr store1 > 139.500163697) or 
       bondedto (attr store1 < 44.8519454343  and attr store1 > 44.0519454343 ))) 
6 0.1 0.1 peak 2482 volume 18.12201 ppm1 3.198 ppm2 2.064
 
! ############### c13noe.2483 folded -
assi (attr store1 < 4.572 and attr store1 > 4.472 )
     ((attr store1 < 3.221 and attr store1 > 3.161 ) and 
      (bondedto (attr store1 < 92.5650545657  and attr store1 > 91.7650545657 ) or 
       bondedto (attr store1 < 140.289163697  and attr store1 > 139.489163697) or 
       bondedto (attr store1 < 44.8409454343  and attr store1 > 44.0409454343 ))) 
6 0.1 0.1 peak 2483 volume 10.04638 ppm1 3.191 ppm2 4.522
 
! ############### c13noe.2484 folded -
assi (attr store1 < 3.341 and attr store1 > 3.241 )
     ((attr store1 < 3.223 and attr store1 > 3.163 ) and 
      (bondedto (attr store1 < 92.5570545657  and attr store1 > 91.7570545657 ) or 
       bondedto (attr store1 < 140.281163697  and attr store1 > 139.481163697) or 
       bondedto (attr store1 < 44.8329454343  and attr store1 > 44.0329454343 ))) 
6 0.1 0.1 peak 2484 volume 40.13159 ppm1 3.193 ppm2 3.291
 
! ############### c13noe.2485 folded -
assi (attr store1 < 3.216 and attr store1 > 3.116 )
     ((attr store1 < 3.2 and attr store1 > 3.14 ) and 
      (bondedto (attr store1 < 92.6140545657  and attr store1 > 91.8140545657 ) or 
       bondedto (attr store1 < 140.338163697  and attr store1 > 139.538163697) or 
       bondedto (attr store1 < 44.8899454343  and attr store1 > 44.0899454343 ))) 
6 0.1 0.1 peak 2485 volume 61.07527 ppm1 3.170 ppm2 3.166
 
! ############### c13noe.2486 folded -
assi (attr store1 < 3.301 and attr store1 > 3.201 )
     ((attr store1 < 3.19 and attr store1 > 3.13 ) and 
      (bondedto (attr store1 < 92.6210545657  and attr store1 > 91.8210545657 ) or 
       bondedto (attr store1 < 140.345163697  and attr store1 > 139.545163697) or 
       bondedto (attr store1 < 44.8969454343  and attr store1 > 44.0969454343 ))) 
6 0.1 0.1 peak 2486 volume 43.84525 ppm1 3.160 ppm2 3.251
 
! ############### c13noe.2487 folded +
assi (attr store1 < 3.91 and attr store1 > 3.81 )
     ((attr store1 < 3.805 and attr store1 > 3.745 ) and 
      (bondedto (attr store1 < 116.353109131  and attr store1 > 115.553109131 ) or 
       bondedto (attr store1 < 68.629  and attr store1 > 67.829 ) or 
       bondedto (attr store1 < 20.9048908686  and attr store1 > 20.1048908686 ))) 
6 0.1 0.1 peak 2487 volume 22.76405 ppm1 3.775 ppm2 3.860
 
! ############### c13noe.2488 folded +
assi (attr store1 < 1.165 and attr store1 > 1.065 )
     ((attr store1 < 3.374 and attr store1 > 3.314 ) and 
      (bondedto (attr store1 < 116.382109131  and attr store1 > 115.582109131 ) or 
       bondedto (attr store1 < 68.658  and attr store1 > 67.858 ) or 
       bondedto (attr store1 < 20.9338908686  and attr store1 > 20.1338908686 ))) 
6 0.1 0.1 peak 2488 volume 12.84577 ppm1 3.344 ppm2 1.115
 
! ############### c13noe.2489 folded +
assi (attr store1 < 1.028 and attr store1 > 0.928 )
     ((attr store1 < 3.372 and attr store1 > 3.312 ) and 
      (bondedto (attr store1 < 116.407109131  and attr store1 > 115.607109131 ) or 
       bondedto (attr store1 < 68.683  and attr store1 > 67.883 ) or 
       bondedto (attr store1 < 20.9588908686  and attr store1 > 20.1588908686 ))) 
6 0.1 0.1 peak 2489 volume 29.84334 ppm1 3.342 ppm2 0.978
 
! ############### c13noe.2490 folded +
assi (attr store1 < 2.245 and attr store1 > 2.145 )
     ((attr store1 < 2.316 and attr store1 > 2.256 ) and 
      (bondedto (attr store1 < 116.359109131  and attr store1 > 115.559109131 ) or 
       bondedto (attr store1 < 68.635  and attr store1 > 67.835 ) or 
       bondedto (attr store1 < 20.9108908686  and attr store1 > 20.1108908686 ))) 
6 0.1 0.1 peak 2490 volume 27.32628 ppm1 2.286 ppm2 2.195
 
! ############### c13noe.2491 folded +
assi (attr store1 < 2.085 and attr store1 > 1.985 )
     ((attr store1 < 1.981 and attr store1 > 1.921 ) and 
      (bondedto (attr store1 < 116.388109131  and attr store1 > 115.588109131 ) or 
       bondedto (attr store1 < 68.664  and attr store1 > 67.864 ) or 
       bondedto (attr store1 < 20.9398908686  and attr store1 > 20.1398908686 ))) 
6 0.1 0.1 peak 2491 volume 15.90868 ppm1 1.951 ppm2 2.035
 
! ############### c13noe.2492 folded -
assi (attr store1 < 4.577 and attr store1 > 4.477 )
     ((attr store1 < 3.321 and attr store1 > 3.261 ) and 
      (bondedto (attr store1 < 92.5120545657  and attr store1 > 91.7120545657 ) or 
       bondedto (attr store1 < 140.236163697  and attr store1 > 139.436163697) or 
       bondedto (attr store1 < 44.7879454343  and attr store1 > 43.9879454343 ))) 
6 0.1 0.1 peak 2492 volume 8.60981 ppm1 3.291 ppm2 4.527
 
! ############### c13noe.2493 folded -
assi (attr store1 < 2.1 and attr store1 > 2.0 )
     ((attr store1 < 3.318 and attr store1 > 3.258 ) and 
      (bondedto (attr store1 < 92.5480545657  and attr store1 > 91.7480545657 ) or 
       bondedto (attr store1 < 140.272163697  and attr store1 > 139.472163697) or 
       bondedto (attr store1 < 44.8239454343  and attr store1 > 44.0239454343 ))) 
6 0.1 0.1 peak 2493 volume 14.99914 ppm1 3.288 ppm2 2.050
 
! ############### c13noe.2494 folded -
assi (attr store1 < 1.772 and attr store1 > 1.672 )
     ((attr store1 < 3.282 and attr store1 > 3.222 ) and 
      (bondedto (attr store1 < 92.5470545657  and attr store1 > 91.7470545657 ) or 
       bondedto (attr store1 < 140.271163697  and attr store1 > 139.471163697) or 
       bondedto (attr store1 < 44.8229454343  and attr store1 > 44.0229454343 ))) 
6 0.1 0.1 peak 2494 volume 7.89659 ppm1 3.252 ppm2 1.722
 
! ############### c13noe.2495 folded -
assi (attr store1 < 1.023 and attr store1 > 0.923 )
     ((attr store1 < 3.229 and attr store1 > 3.169 ) and 
      (bondedto (attr store1 < 92.5340545657  and attr store1 > 91.7340545657 ) or 
       bondedto (attr store1 < 140.258163697  and attr store1 > 139.458163697) or 
       bondedto (attr store1 < 44.8099454343  and attr store1 > 44.0099454343 ))) 
6 0.1 0.1 peak 2495 volume 10.28086 ppm1 3.199 ppm2 0.973
 
! ############### c13noe.2496 folded -
assi (attr store1 < 4.728 and attr store1 > 4.628 )
     ((attr store1 < 3.224 and attr store1 > 3.164 ) and 
      (bondedto (attr store1 < 92.5130545657  and attr store1 > 91.7130545657 ) or 
       bondedto (attr store1 < 140.237163697  and attr store1 > 139.437163697) or 
       bondedto (attr store1 < 44.7889454343  and attr store1 > 43.9889454343 ))) 
6 0.1 0.1 peak 2496 volume 8.4066 ppm1 3.194 ppm2 4.678
 
! ############### c13noe.2497 folded +
assi (attr store1 < 8.987 and attr store1 > 8.887 )
     ((attr store1 < 3.667 and attr store1 > 3.607 ) and 
      (bondedto (attr store1 < 116.276109131  and attr store1 > 115.476109131 ) or 
       bondedto (attr store1 < 68.552  and attr store1 > 67.752 ) or 
       bondedto (attr store1 < 20.8278908686  and attr store1 > 20.0278908686 ))) 
6 0.1 0.1 peak 2497 volume 9.16894 ppm1 3.637 ppm2 8.937
 
! ############### c13noe.2498 folded +
assi (attr store1 < 1.015 and attr store1 > 0.915 )
     ((attr store1 < 3.667 and attr store1 > 3.607 ) and 
      (bondedto (attr store1 < 116.249109131  and attr store1 > 115.449109131 ) or 
       bondedto (attr store1 < 68.525  and attr store1 > 67.725 ) or 
       bondedto (attr store1 < 20.8008908686  and attr store1 > 20.0008908686 ))) 
6 0.1 0.1 peak 2498 volume 19.56828 ppm1 3.637 ppm2 0.965
 
! ############### c13noe.2499 folded +
assi (attr store1 < 0.942 and attr store1 > 0.842 )
     ((attr store1 < 3.668 and attr store1 > 3.608 ) and 
      (bondedto (attr store1 < 116.251109131  and attr store1 > 115.451109131 ) or 
       bondedto (attr store1 < 68.527  and attr store1 > 67.727 ) or 
       bondedto (attr store1 < 20.8028908686  and attr store1 > 20.0028908686 ))) 
6 0.1 0.1 peak 2499 volume 24.85267 ppm1 3.638 ppm2 0.892
 
! ############### c13noe.2500 folded +
assi (attr store1 < 0.848 and attr store1 > 0.748 )
     ((attr store1 < 3.669 and attr store1 > 3.609 ) and 
      (bondedto (attr store1 < 116.252109131  and attr store1 > 115.452109131 ) or 
       bondedto (attr store1 < 68.528  and attr store1 > 67.728 ) or 
       bondedto (attr store1 < 20.8038908686  and attr store1 > 20.0038908686 ))) 
6 0.1 0.1 peak 2500 volume 22.39407 ppm1 3.639 ppm2 0.798
 
! ############### c13noe.2501 folded +
assi (attr store1 < 1.485 and attr store1 > 1.385 )
     ((attr store1 < 3.662 and attr store1 > 3.602 ) and 
      (bondedto (attr store1 < 116.269109131  and attr store1 > 115.469109131 ) or 
       bondedto (attr store1 < 68.545  and attr store1 > 67.745 ) or 
       bondedto (attr store1 < 20.8208908686  and attr store1 > 20.0208908686 ))) 
6 0.1 0.1 peak 2501 volume 7.81626 ppm1 3.632 ppm2 1.435
 
! ############### c13noe.2502 folded +
assi (attr store1 < 1.132 and attr store1 > 1.032 )
     ((attr store1 < 3.666 and attr store1 > 3.606 ) and 
      (bondedto (attr store1 < 116.244109131  and attr store1 > 115.444109131 ) or 
       bondedto (attr store1 < 68.52  and attr store1 > 67.72 ) or 
       bondedto (attr store1 < 20.7958908686  and attr store1 > 19.9958908686 ))) 
6 0.1 0.1 peak 2502 volume 28.20506 ppm1 3.636 ppm2 1.082
 
! ############### c13noe.2503 folded +
assi (attr store1 < 1.504 and attr store1 > 1.404 )
     ((attr store1 < 1.226 and attr store1 > 1.166 ) and 
      (bondedto (attr store1 < 116.229109131  and attr store1 > 115.429109131 ) or 
       bondedto (attr store1 < 68.505  and attr store1 > 67.705 ) or 
       bondedto (attr store1 < 20.7808908686  and attr store1 > 19.9808908686 ))) 
6 0.1 0.1 peak 2503 volume 21.13078 ppm1 1.196 ppm2 1.454
 
! ############### c13noe.2504 folded +
assi (attr store1 < 3.723 and attr store1 > 3.623 )
     ((attr store1 < 3.865 and attr store1 > 3.805 ) and 
      (bondedto (attr store1 < 116.180109131  and attr store1 > 115.380109131 ) or 
       bondedto (attr store1 < 68.456  and attr store1 > 67.656 ) or 
       bondedto (attr store1 < 20.7318908686  and attr store1 > 19.9318908686 ))) 
6 0.1 0.1 peak 2504 volume 18.07817 ppm1 3.835 ppm2 3.673
 
! ############### c13noe.2505 folded +
assi (attr store1 < 3.883 and attr store1 > 3.783 )
     ((attr store1 < 3.699 and attr store1 > 3.639 ) and 
      (bondedto (attr store1 < 116.188109131  and attr store1 > 115.388109131 ) or 
       bondedto (attr store1 < 68.464  and attr store1 > 67.664 ) or 
       bondedto (attr store1 < 20.7398908686  and attr store1 > 19.9398908686 ))) 
6 0.1 0.1 peak 2505 volume 16.88202 ppm1 3.669 ppm2 3.833
 
! ############### c13noe.2506 folded +
assi (attr store1 < 2.232 and attr store1 > 2.132 )
     ((attr store1 < 3.667 and attr store1 > 3.607 ) and 
      (bondedto (attr store1 < 116.213109131  and attr store1 > 115.413109131 ) or 
       bondedto (attr store1 < 68.489  and attr store1 > 67.689 ) or 
       bondedto (attr store1 < 20.7648908686  and attr store1 > 19.9648908686 ))) 
6 0.1 0.1 peak 2506 volume 11.98349 ppm1 3.637 ppm2 2.182
 
! ############### c13noe.2507 folded +
assi (attr store1 < 1.564 and attr store1 > 1.464 )
     ((attr store1 < 3.664 and attr store1 > 3.604 ) and 
      (bondedto (attr store1 < 116.211109131  and attr store1 > 115.411109131 ) or 
       bondedto (attr store1 < 68.487  and attr store1 > 67.687 ) or 
       bondedto (attr store1 < 20.7628908686  and attr store1 > 19.9628908686 ))) 
6 0.1 0.1 peak 2507 volume 10.84416 ppm1 3.634 ppm2 1.514
 
! ############### c13noe.2508 folded +
assi (attr store1 < 2.41 and attr store1 > 2.31 )
     ((attr store1 < 2.445 and attr store1 > 2.385 ) and 
      (bondedto (attr store1 < 116.173109131  and attr store1 > 115.373109131 ) or 
       bondedto (attr store1 < 68.449  and attr store1 > 67.649 ) or 
       bondedto (attr store1 < 20.7248908686  and attr store1 > 19.9248908686 ))) 
6 0.1 0.1 peak 2508 volume 11.73668 ppm1 2.415 ppm2 2.360
 
! ############### c13noe.2509 folded +
assi (attr store1 < 2.463 and attr store1 > 2.363 )
     ((attr store1 < 2.383 and attr store1 > 2.323 ) and 
      (bondedto (attr store1 < 116.157109131  and attr store1 > 115.357109131 ) or 
       bondedto (attr store1 < 68.433  and attr store1 > 67.633 ) or 
       bondedto (attr store1 < 20.7088908686  and attr store1 > 19.9088908686 ))) 
6 0.1 0.1 peak 2509 volume 11.43864 ppm1 2.353 ppm2 2.413
 
! ############### c13noe.2510 folded +
assi (attr store1 < 2.016 and attr store1 > 1.916 )
     ((attr store1 < 2.344 and attr store1 > 2.284 ) and 
      (bondedto (attr store1 < 116.134109131  and attr store1 > 115.334109131 ) or 
       bondedto (attr store1 < 68.41  and attr store1 > 67.61 ) or 
       bondedto (attr store1 < 20.6858908686  and attr store1 > 19.8858908686 ))) 
6 0.1 0.1 peak 2510 volume 17.33433 ppm1 2.314 ppm2 1.966
 
! ############### c13noe.2511 folded +
assi (attr store1 < 2.366 and attr store1 > 2.266 )
     ((attr store1 < 2.011 and attr store1 > 1.951 ) and 
      (bondedto (attr store1 < 116.173109131  and attr store1 > 115.373109131 ) or 
       bondedto (attr store1 < 68.449  and attr store1 > 67.649 ) or 
       bondedto (attr store1 < 20.7248908686  and attr store1 > 19.9248908686 ))) 
6 0.1 0.1 peak 2511 volume 14.46686 ppm1 1.981 ppm2 2.316
 
! ############### c13noe.2512 folded +
assi (attr store1 < 2.358 and attr store1 > 2.258 )
     ((attr store1 < 1.976 and attr store1 > 1.916 ) and 
      (bondedto (attr store1 < 116.145109131  and attr store1 > 115.345109131 ) or 
       bondedto (attr store1 < 68.421  and attr store1 > 67.621 ) or 
       bondedto (attr store1 < 20.6968908686  and attr store1 > 19.8968908686 ))) 
6 0.1 0.1 peak 2512 volume 11.95758 ppm1 1.946 ppm2 2.308
 
! ############### c13noe.2513 folded +
assi (attr store1 < 1.245 and attr store1 > 1.145 )
     ((attr store1 < 1.482 and attr store1 > 1.422 ) and 
      (bondedto (attr store1 < 116.216109131  and attr store1 > 115.416109131 ) or 
       bondedto (attr store1 < 68.492  and attr store1 > 67.692 ) or 
       bondedto (attr store1 < 20.7678908686  and attr store1 > 19.9678908686 ))) 
6 0.1 0.1 peak 2513 volume 20.62441 ppm1 1.452 ppm2 1.195
 
! ############### c13noe.2514 folded +
assi (attr store1 < 7.868 and attr store1 > 7.768 )
     ((attr store1 < 1.095 and attr store1 > 1.035 ) and 
      (bondedto (attr store1 < 116.080109131  and attr store1 > 115.280109131 ) or 
       bondedto (attr store1 < 68.356  and attr store1 > 67.556 ) or 
       bondedto (attr store1 < 20.6318908686  and attr store1 > 19.8318908686 ))) 
6 0.1 0.1 peak 2514 volume 15.67996 ppm1 1.065 ppm2 7.818
 
! ############### c13noe.2515 folded +
assi (attr store1 < 7.479 and attr store1 > 7.379 )
     ((attr store1 < 1.096 and attr store1 > 1.036 ) and 
      (bondedto (attr store1 < 116.072109131  and attr store1 > 115.272109131 ) or 
       bondedto (attr store1 < 68.348  and attr store1 > 67.548 ) or 
       bondedto (attr store1 < 20.6238908686  and attr store1 > 19.8238908686 ))) 
6 0.1 0.1 peak 2515 volume 62.83131 ppm1 1.066 ppm2 7.429
 
! ############### c13noe.2516 folded +
assi (attr store1 < 4.59 and attr store1 > 4.49 )
     ((attr store1 < 1.095 and attr store1 > 1.035 ) and 
      (bondedto (attr store1 < 116.056109131  and attr store1 > 115.256109131 ) or 
       bondedto (attr store1 < 68.332  and attr store1 > 67.532 ) or 
       bondedto (attr store1 < 20.6078908686  and attr store1 > 19.8078908686 ))) 
6 0.1 0.1 peak 2516 volume 29.33645 ppm1 1.065 ppm2 4.540
 
! ############### c13noe.2517 folded +
assi (attr store1 < 4.439 and attr store1 > 4.339 )
     ((attr store1 < 1.095 and attr store1 > 1.035 ) and 
      (bondedto (attr store1 < 116.066109131  and attr store1 > 115.266109131 ) or 
       bondedto (attr store1 < 68.342  and attr store1 > 67.542 ) or 
       bondedto (attr store1 < 20.6178908686  and attr store1 > 19.8178908686 ))) 
6 0.1 0.1 peak 2517 volume 32.71091 ppm1 1.065 ppm2 4.389
 
! ############### c13noe.2518 folded +
assi (attr store1 < 4.096 and attr store1 > 3.996 )
     ((attr store1 < 1.096 and attr store1 > 1.036 ) and 
      (bondedto (attr store1 < 116.088109131  and attr store1 > 115.288109131 ) or 
       bondedto (attr store1 < 68.364  and attr store1 > 67.564 ) or 
       bondedto (attr store1 < 20.6398908686  and attr store1 > 19.8398908686 ))) 
6 0.1 0.1 peak 2518 volume 8.87780 ppm1 1.066 ppm2 4.046
 
! ############### c13noe.2519 folded +
assi (attr store1 < 3.95 and attr store1 > 3.85 )
     ((attr store1 < 1.095 and attr store1 > 1.035 ) and 
      (bondedto (attr store1 < 116.069109131  and attr store1 > 115.269109131 ) or 
       bondedto (attr store1 < 68.345  and attr store1 > 67.545 ) or 
       bondedto (attr store1 < 20.6208908686  and attr store1 > 19.8208908686 ))) 
6 0.1 0.1 peak 2519 volume 13.18580 ppm1 1.065 ppm2 3.900
 
! ############### c13noe.2520 folded +
assi (attr store1 < 2.51 and attr store1 > 2.41 )
     ((attr store1 < 1.096 and attr store1 > 1.036 ) and 
      (bondedto (attr store1 < 116.056109131  and attr store1 > 115.256109131 ) or 
       bondedto (attr store1 < 68.332  and attr store1 > 67.532 ) or 
       bondedto (attr store1 < 20.6078908686  and attr store1 > 19.8078908686 ))) 
6 0.1 0.1 peak 2520 volume 90.38951 ppm1 1.066 ppm2 2.460
 
! ############### c13noe.2521 folded +
assi (attr store1 < 8.399 and attr store1 > 8.299 )
     ((attr store1 < 4.084 and attr store1 > 4.024 ) and 
      (bondedto (attr store1 < 116.016109131  and attr store1 > 115.216109131 ) or 
       bondedto (attr store1 < 68.292  and attr store1 > 67.492 ) or 
       bondedto (attr store1 < 20.5678908686  and attr store1 > 19.7678908686 ))) 
6 0.1 0.1 peak 2521 volume 9.71805 ppm1 4.054 ppm2 8.349
 
! ############### c13noe.2522 folded +
assi (attr store1 < 4.737 and attr store1 > 4.637 )
     ((attr store1 < 4.084 and attr store1 > 4.024 ) and 
      (bondedto (attr store1 < 116.018109131  and attr store1 > 115.218109131 ) or 
       bondedto (attr store1 < 68.294  and attr store1 > 67.494 ) or 
       bondedto (attr store1 < 20.5698908686  and attr store1 > 19.7698908686 ))) 
6 0.1 0.1 peak 2522 volume 12.92239 ppm1 4.054 ppm2 4.687
 
! ############### c13noe.2523 folded +
assi (attr store1 < 0.95 and attr store1 > 0.85 )
     ((attr store1 < 4.084 and attr store1 > 4.024 ) and 
      (bondedto (attr store1 < 116.003109131  and attr store1 > 115.203109131 ) or 
       bondedto (attr store1 < 68.279  and attr store1 > 67.479 ) or 
       bondedto (attr store1 < 20.5548908686  and attr store1 > 19.7548908686 ))) 
6 0.1 0.1 peak 2523 volume 32.06926 ppm1 4.054 ppm2 0.900
 
! ############### c13noe.2524 folded +
assi (attr store1 < 1.376 and attr store1 > 1.276 )
     ((attr store1 < 1.667 and attr store1 > 1.607 ) and 
      (bondedto (attr store1 < 116.024109131  and attr store1 > 115.224109131 ) or 
       bondedto (attr store1 < 68.3  and attr store1 > 67.5 ) or 
       bondedto (attr store1 < 20.5758908686  and attr store1 > 19.7758908686 ))) 
6 0.1 0.1 peak 2524 volume 10.58664 ppm1 1.637 ppm2 1.326
 
! ############### c13noe.2525 folded +
assi (attr store1 < 1.689 and attr store1 > 1.589 )
     ((attr store1 < 1.351 and attr store1 > 1.291 ) and 
      (bondedto (attr store1 < 116.018109131  and attr store1 > 115.218109131 ) or 
       bondedto (attr store1 < 68.294  and attr store1 > 67.494 ) or 
       bondedto (attr store1 < 20.5698908686  and attr store1 > 19.7698908686 ))) 
6 0.1 0.1 peak 2525 volume 8.26935 ppm1 1.321 ppm2 1.639
 
! ############### c13noe.2526 folded -
assi (attr store1 < 1.501 and attr store1 > 1.401 )
     ((attr store1 < 1.219 and attr store1 > 1.159 ) and 
      (bondedto (attr store1 < 92.0390545657  and attr store1 > 91.2390545657 ) or 
       bondedto (attr store1 < 139.763163697  and attr store1 > 138.963163697) or 
       bondedto (attr store1 < 44.3149454343  and attr store1 > 43.5149454343 ))) 
6 0.1 0.1 peak 2526 volume 13.98238 ppm1 1.189 ppm2 1.451
 
! ############### c13noe.2527 folded +
assi (attr store1 < 3.616 and attr store1 > 3.516 )
     ((attr store1 < 4.084 and attr store1 > 4.024 ) and 
      (bondedto (attr store1 < 115.852109131  and attr store1 > 115.052109131 ) or 
       bondedto (attr store1 < 68.128  and attr store1 > 67.328 ) or 
       bondedto (attr store1 < 20.4038908686  and attr store1 > 19.6038908686 ))) 
6 0.1 0.1 peak 2527 volume 9.69944 ppm1 4.054 ppm2 3.566
 
! ############### c13noe.2528 folded +
assi (attr store1 < 1.173 and attr store1 > 1.073 )
     ((attr store1 < 3.427 and attr store1 > 3.367 ) and 
      (bondedto (attr store1 < 115.806109131  and attr store1 > 115.006109131 ) or 
       bondedto (attr store1 < 68.082  and attr store1 > 67.282 ) or 
       bondedto (attr store1 < 20.3578908686  and attr store1 > 19.5578908686 ))) 
6 0.1 0.1 peak 2528 volume 9.14357 ppm1 3.397 ppm2 1.123
 
! ############### c13noe.2529 folded +
assi (attr store1 < 8.497 and attr store1 > 8.397 )
     ((attr store1 < 3.421 and attr store1 > 3.361 ) and 
      (bondedto (attr store1 < 115.818109131  and attr store1 > 115.018109131 ) or 
       bondedto (attr store1 < 68.094  and attr store1 > 67.294 ) or 
       bondedto (attr store1 < 20.3698908686  and attr store1 > 19.5698908686 ))) 
6 0.1 0.1 peak 2529 volume 16.52104 ppm1 3.391 ppm2 8.447
 
! ############### c13noe.2530 folded +
assi (attr store1 < 7.782 and attr store1 > 7.682 )
     ((attr store1 < 3.42 and attr store1 > 3.36 ) and 
      (bondedto (attr store1 < 115.817109131  and attr store1 > 115.017109131 ) or 
       bondedto (attr store1 < 68.093  and attr store1 > 67.293 ) or 
       bondedto (attr store1 < 20.3688908686  and attr store1 > 19.5688908686 ))) 
6 0.1 0.1 peak 2530 volume 7.32725 ppm1 3.390 ppm2 7.732
 
! ############### c13noe.2531 folded +
assi (attr store1 < 3.946 and attr store1 > 3.846 )
     ((attr store1 < 3.42 and attr store1 > 3.36 ) and 
      (bondedto (attr store1 < 115.843109131  and attr store1 > 115.043109131 ) or 
       bondedto (attr store1 < 68.119  and attr store1 > 67.319 ) or 
       bondedto (attr store1 < 20.3948908686  and attr store1 > 19.5948908686 ))) 
6 0.1 0.1 peak 2531 volume 8.26923 ppm1 3.390 ppm2 3.896
 
! ############### c13noe.2532 folded +
assi (attr store1 < 1.087 and attr store1 > 0.987 )
     ((attr store1 < 3.421 and attr store1 > 3.361 ) and 
      (bondedto (attr store1 < 115.811109131  and attr store1 > 115.011109131 ) or 
       bondedto (attr store1 < 68.087  and attr store1 > 67.287 ) or 
       bondedto (attr store1 < 20.3628908686  and attr store1 > 19.5628908686 ))) 
6 0.1 0.1 peak 2532 volume 32.60710 ppm1 3.391 ppm2 1.037
 
! ############### c13noe.2533 folded +
assi (attr store1 < 0.999 and attr store1 > 0.899 )
     ((attr store1 < 3.421 and attr store1 > 3.361 ) and 
      (bondedto (attr store1 < 115.817109131  and attr store1 > 115.017109131 ) or 
       bondedto (attr store1 < 68.093  and attr store1 > 67.293 ) or 
       bondedto (attr store1 < 20.3688908686  and attr store1 > 19.5688908686 ))) 
6 0.1 0.1 peak 2533 volume 17.42732 ppm1 3.391 ppm2 0.949
 
! ############### c13noe.2534 folded +
assi (attr store1 < 0.887 and attr store1 > 0.787 )
     ((attr store1 < 3.422 and attr store1 > 3.362 ) and 
      (bondedto (attr store1 < 115.811109131  and attr store1 > 115.011109131 ) or 
       bondedto (attr store1 < 68.087  and attr store1 > 67.287 ) or 
       bondedto (attr store1 < 20.3628908686  and attr store1 > 19.5628908686 ))) 
6 0.1 0.1 peak 2534 volume 34.67647 ppm1 3.392 ppm2 0.837
 
! ############### c13noe.2535 folded +
assi (attr store1 < 4.09 and attr store1 > 3.99 )
     ((attr store1 < 3.417 and attr store1 > 3.357 ) and 
      (bondedto (attr store1 < 115.832109131  and attr store1 > 115.032109131 ) or 
       bondedto (attr store1 < 68.108  and attr store1 > 67.308 ) or 
       bondedto (attr store1 < 20.3838908686  and attr store1 > 19.5838908686 ))) 
6 0.1 0.1 peak 2535 volume 8.91496 ppm1 3.387 ppm2 4.040
 
! ############### c13noe.2536 folded +
assi (attr store1 < 2.261 and attr store1 > 2.161 )
     ((attr store1 < 3.414 and attr store1 > 3.354 ) and 
      (bondedto (attr store1 < 115.840109131  and attr store1 > 115.040109131 ) or 
       bondedto (attr store1 < 68.116  and attr store1 > 67.316 ) or 
       bondedto (attr store1 < 20.3918908686  and attr store1 > 19.5918908686 ))) 
6 0.1 0.1 peak 2536 volume 9.42946 ppm1 3.384 ppm2 2.211
 
! ############### c13noe.2537 folded -
assi (attr store1 < 3.716 and attr store1 > 3.616 )
     ((attr store1 < 3.867 and attr store1 > 3.807 ) and 
      (bondedto (attr store1 < 91.9350545657  and attr store1 > 91.1350545657 ) or 
       bondedto (attr store1 < 139.659163697  and attr store1 > 138.859163697) or 
       bondedto (attr store1 < 44.2109454343  and attr store1 > 43.4109454343 ))) 
6 0.1 0.1 peak 2537 volume 17.47065 ppm1 3.837 ppm2 3.666
 
! ############### c13noe.2538 folded +
assi (attr store1 < 0.966 and attr store1 > 0.866 )
     ((attr store1 < 3.595 and attr store1 > 3.535 ) and 
      (bondedto (attr store1 < 115.683109131  and attr store1 > 114.883109131 ) or 
       bondedto (attr store1 < 67.959  and attr store1 > 67.159 ) or 
       bondedto (attr store1 < 20.2348908686  and attr store1 > 19.4348908686 ))) 
6 0.1 0.1 peak 2538 volume 39.14467 ppm1 3.565 ppm2 0.916
 
! ############### c13noe.2539 folded -
assi (attr store1 < 1.823 and attr store1 > 1.723 )
     ((attr store1 < 3.075 and attr store1 > 3.015 ) and 
      (bondedto (attr store1 < 91.8570545657  and attr store1 > 91.0570545657 ) or 
       bondedto (attr store1 < 139.581163697  and attr store1 > 138.781163697) or 
       bondedto (attr store1 < 44.1329454343  and attr store1 > 43.3329454343 ))) 
6 0.1 0.1 peak 2539 volume 8.95352 ppm1 3.045 ppm2 1.773
 
! ############### c13noe.2540 folded +
assi (attr store1 < 1.95 and attr store1 > 1.85 )
     ((attr store1 < 3.636 and attr store1 > 3.576 ) and 
      (bondedto (attr store1 < 115.604109131  and attr store1 > 114.804109131 ) or 
       bondedto (attr store1 < 67.88  and attr store1 > 67.08 ) or 
       bondedto (attr store1 < 20.1558908686  and attr store1 > 19.3558908686 ))) 
6 0.1 0.1 peak 2540 volume 7.21157 ppm1 3.606 ppm2 1.900
 
! ############### c13noe.2541 folded +
assi (attr store1 < 1.17 and attr store1 > 1.07 )
     ((attr store1 < 3.631 and attr store1 > 3.571 ) and 
      (bondedto (attr store1 < 115.577109131  and attr store1 > 114.777109131 ) or 
       bondedto (attr store1 < 67.853  and attr store1 > 67.053 ) or 
       bondedto (attr store1 < 20.1288908686  and attr store1 > 19.3288908686 ))) 
6 0.1 0.1 peak 2541 volume 29.92453 ppm1 3.601 ppm2 1.120
 
! ############### c13noe.2542 folded +
assi (attr store1 < 8.463 and attr store1 > 8.363 )
     ((attr store1 < 3.621 and attr store1 > 3.561 ) and 
      (bondedto (attr store1 < 115.587109131  and attr store1 > 114.787109131 ) or 
       bondedto (attr store1 < 67.863  and attr store1 > 67.063 ) or 
       bondedto (attr store1 < 20.1388908686  and attr store1 > 19.3388908686 ))) 
6 0.1 0.1 peak 2542 volume 11.91915 ppm1 3.591 ppm2 8.413
 
! ############### c13noe.2543 folded +
assi (attr store1 < 2.125 and attr store1 > 2.025 )
     ((attr store1 < 3.614 and attr store1 > 3.554 ) and 
      (bondedto (attr store1 < 115.601109131  and attr store1 > 114.801109131 ) or 
       bondedto (attr store1 < 67.877  and attr store1 > 67.077 ) or 
       bondedto (attr store1 < 20.1528908686  and attr store1 > 19.3528908686 ))) 
6 0.1 0.1 peak 2543 volume 12.65640 ppm1 3.584 ppm2 2.075
 
! ############### c13noe.2544 folded +
assi (attr store1 < 0.99 and attr store1 > 0.89 )
     ((attr store1 < 3.603 and attr store1 > 3.543 ) and 
      (bondedto (attr store1 < 115.613109131  and attr store1 > 114.813109131 ) or 
       bondedto (attr store1 < 67.889  and attr store1 > 67.089 ) or 
       bondedto (attr store1 < 20.1648908686  and attr store1 > 19.3648908686 ))) 
6 0.1 0.1 peak 2544 volume 38.24489 ppm1 3.573 ppm2 0.940
 
! ############### c13noe.2545 folded +
assi (attr store1 < 0.856 and attr store1 > 0.756 )
     ((attr store1 < 3.601 and attr store1 > 3.541 ) and 
      (bondedto (attr store1 < 115.606109131  and attr store1 > 114.806109131 ) or 
       bondedto (attr store1 < 67.882  and attr store1 > 67.082 ) or 
       bondedto (attr store1 < 20.1578908686  and attr store1 > 19.3578908686 ))) 
6 0.1 0.1 peak 2545 volume 9.75676 ppm1 3.571 ppm2 0.806
 
! ############### c13noe.2546 folded +
assi (attr store1 < 0.951 and attr store1 > 0.851 )
     ((attr store1 < 3.596 and attr store1 > 3.536 ) and 
      (bondedto (attr store1 < 115.627109131  and attr store1 > 114.827109131 ) or 
       bondedto (attr store1 < 67.903  and attr store1 > 67.103 ) or 
       bondedto (attr store1 < 20.1788908686  and attr store1 > 19.3788908686 ))) 
6 0.1 0.1 peak 2546 volume 39.29534 ppm1 3.566 ppm2 0.901
 
! ############### c13noe.2547 folded +
assi (attr store1 < 8.422 and attr store1 > 8.322 )
     ((attr store1 < 3.593 and attr store1 > 3.533 ) and 
      (bondedto (attr store1 < 115.595109131  and attr store1 > 114.795109131 ) or 
       bondedto (attr store1 < 67.871  and attr store1 > 67.071 ) or 
       bondedto (attr store1 < 20.1468908686  and attr store1 > 19.3468908686 ))) 
6 0.1 0.1 peak 2547 volume 9.60461 ppm1 3.563 ppm2 8.372
 
! ############### c13noe.2548 folded +
assi (attr store1 < 1.242 and attr store1 > 1.142 )
     ((attr store1 < 1.494 and attr store1 > 1.434 ) and 
      (bondedto (attr store1 < 115.606109131  and attr store1 > 114.806109131 ) or 
       bondedto (attr store1 < 67.882  and attr store1 > 67.082 ) or 
       bondedto (attr store1 < 20.1578908686  and attr store1 > 19.3578908686 ))) 
6 0.1 0.1 peak 2548 volume 36.89616 ppm1 1.464 ppm2 1.192
 
! ############### c13noe.2549 folded +
assi (attr store1 < 1.508 and attr store1 > 1.408 )
     ((attr store1 < 1.213 and attr store1 > 1.153 ) and 
      (bondedto (attr store1 < 115.602109131  and attr store1 > 114.802109131 ) or 
       bondedto (attr store1 < 67.878  and attr store1 > 67.078 ) or 
       bondedto (attr store1 < 20.1538908686  and attr store1 > 19.3538908686 ))) 
6 0.1 0.1 peak 2549 volume 29.29095 ppm1 1.183 ppm2 1.458
 
! ############### c13noe.2550 folded -
assi (attr store1 < 1.759 and attr store1 > 1.659 )
     ((attr store1 < 2.983 and attr store1 > 2.923 ) and 
      (bondedto (attr store1 < 91.7870545657  and attr store1 > 90.9870545657 ) or 
       bondedto (attr store1 < 139.511163697  and attr store1 > 138.711163697) or 
       bondedto (attr store1 < 44.0629454343  and attr store1 > 43.2629454343 ))) 
6 0.1 0.1 peak 2550 volume 7.56101 ppm1 2.953 ppm2 1.709
 
! ############### c13noe.2551 folded +
assi (attr store1 < 8.46 and attr store1 > 8.36 )
     ((attr store1 < 3.639 and attr store1 > 3.579 ) and 
      (bondedto (attr store1 < 115.542109131  and attr store1 > 114.742109131 ) or 
       bondedto (attr store1 < 67.818  and attr store1 > 67.018 ) or 
       bondedto (attr store1 < 20.0938908686  and attr store1 > 19.2938908686 ))) 
6 0.1 0.1 peak 2551 volume 10.42621 ppm1 3.609 ppm2 8.410
 
! ############### c13noe.2552 folded +
assi (attr store1 < 2.447 and attr store1 > 2.347 )
     ((attr store1 < 3.636 and attr store1 > 3.576 ) and 
      (bondedto (attr store1 < 115.557109131  and attr store1 > 114.757109131 ) or 
       bondedto (attr store1 < 67.833  and attr store1 > 67.033 ) or 
       bondedto (attr store1 < 20.1088908686  and attr store1 > 19.3088908686 ))) 
6 0.1 0.1 peak 2552 volume 9.08571 ppm1 3.606 ppm2 2.397
 
! ############### c13noe.2553 folded +
assi (attr store1 < 1.587 and attr store1 > 1.487 )
     ((attr store1 < 3.635 and attr store1 > 3.575 ) and 
      (bondedto (attr store1 < 115.554109131  and attr store1 > 114.754109131 ) or 
       bondedto (attr store1 < 67.83  and attr store1 > 67.03 ) or 
       bondedto (attr store1 < 20.1058908686  and attr store1 > 19.3058908686 ))) 
6 0.1 0.1 peak 2553 volume 8.97060 ppm1 3.605 ppm2 1.537
 
! ############### c13noe.2554 folded +
assi (attr store1 < 2.354 and attr store1 > 2.254 )
     ((attr store1 < 3.63 and attr store1 > 3.57 ) and 
      (bondedto (attr store1 < 115.565109131  and attr store1 > 114.765109131 ) or 
       bondedto (attr store1 < 67.841  and attr store1 > 67.041 ) or 
       bondedto (attr store1 < 20.1168908686  and attr store1 > 19.3168908686 ))) 
6 0.1 0.1 peak 2554 volume 9.92929 ppm1 3.600 ppm2 2.304
 
! ############### c13noe.2555 folded +
assi (attr store1 < 1.089 and attr store1 > 0.989 )
     ((attr store1 < 3.63 and attr store1 > 3.57 ) and 
      (bondedto (attr store1 < 115.560109131  and attr store1 > 114.760109131 ) or 
       bondedto (attr store1 < 67.836  and attr store1 > 67.036 ) or 
       bondedto (attr store1 < 20.1118908686  and attr store1 > 19.3118908686 ))) 
6 0.1 0.1 peak 2555 volume 23.44727 ppm1 3.600 ppm2 1.039
 
! ############### c13noe.2556 folded +
assi (attr store1 < 0.836 and attr store1 > 0.736 )
     ((attr store1 < 3.611 and attr store1 > 3.551 ) and 
      (bondedto (attr store1 < 115.555109131  and attr store1 > 114.755109131 ) or 
       bondedto (attr store1 < 67.831  and attr store1 > 67.031 ) or 
       bondedto (attr store1 < 20.1068908686  and attr store1 > 19.3068908686 ))) 
6 0.1 0.1 peak 2556 volume 9.12561 ppm1 3.581 ppm2 0.786
 
! ############### c13noe.2557 folded +
assi (attr store1 < 8.423 and attr store1 > 8.323 )
     ((attr store1 < 3.601 and attr store1 > 3.541 ) and 
      (bondedto (attr store1 < 115.565109131  and attr store1 > 114.765109131 ) or 
       bondedto (attr store1 < 67.841  and attr store1 > 67.041 ) or 
       bondedto (attr store1 < 20.1168908686  and attr store1 > 19.3168908686 ))) 
6 0.1 0.1 peak 2557 volume 9.77956 ppm1 3.571 ppm2 8.373
 
! ############### c13noe.2558 folded -
assi (attr store1 < 4.747 and attr store1 > 4.647 )
     ((attr store1 < 3.285 and attr store1 > 3.225 ) and 
      (bondedto (attr store1 < 91.6640545657  and attr store1 > 90.8640545657 ) or 
       bondedto (attr store1 < 139.388163697  and attr store1 > 138.588163697) or 
       bondedto (attr store1 < 43.9399454343  and attr store1 > 43.1399454343 ))) 
6 0.1 0.1 peak 2558 volume 27.90543 ppm1 3.255 ppm2 4.697
 
! ############### c13noe.2559 folded -
assi (attr store1 < 1.697 and attr store1 > 1.597 )
     ((attr store1 < 3.03 and attr store1 > 2.97 ) and 
      (bondedto (attr store1 < 91.6930545657  and attr store1 > 90.8930545657 ) or 
       bondedto (attr store1 < 139.417163697  and attr store1 > 138.617163697) or 
       bondedto (attr store1 < 43.9689454343  and attr store1 > 43.1689454343 ))) 
6 0.1 0.1 peak 2559 volume 9.49748 ppm1 3.000 ppm2 1.647
 
! ############### c13noe.2560 folded +
assi (attr store1 < 1.162 and attr store1 > 1.062 )
     ((attr store1 < 3.502 and attr store1 > 3.442 ) and 
      (bondedto (attr store1 < 115.410109131  and attr store1 > 114.610109131 ) or 
       bondedto (attr store1 < 67.686  and attr store1 > 66.886 ) or 
       bondedto (attr store1 < 19.9618908686  and attr store1 > 19.1618908686 ))) 
6 0.1 0.1 peak 2560 volume 22.48402 ppm1 3.472 ppm2 1.112
 
! ############### c13noe.2561 folded +
assi (attr store1 < 0.891 and attr store1 > 0.791 )
     ((attr store1 < 3.506 and attr store1 > 3.446 ) and 
      (bondedto (attr store1 < 115.413109131  and attr store1 > 114.613109131 ) or 
       bondedto (attr store1 < 67.689  and attr store1 > 66.889 ) or 
       bondedto (attr store1 < 19.9648908686  and attr store1 > 19.1648908686 ))) 
6 0.1 0.1 peak 2561 volume 26.88394 ppm1 3.476 ppm2 0.841
 
! ############### c13noe.2562 folded +
assi (attr store1 < 8.045 and attr store1 > 7.945 )
     ((attr store1 < 3.5 and attr store1 > 3.44 ) and 
      (bondedto (attr store1 < 115.425109131  and attr store1 > 114.625109131 ) or 
       bondedto (attr store1 < 67.701  and attr store1 > 66.901 ) or 
       bondedto (attr store1 < 19.9768908686  and attr store1 > 19.1768908686 ))) 
6 0.1 0.1 peak 2562 volume 11.52812 ppm1 3.470 ppm2 7.995
 
! ############### c13noe.2563 folded +
assi (attr store1 < 1.006 and attr store1 > 0.906 )
     ((attr store1 < 3.496 and attr store1 > 3.436 ) and 
      (bondedto (attr store1 < 115.410109131  and attr store1 > 114.610109131 ) or 
       bondedto (attr store1 < 67.686  and attr store1 > 66.886 ) or 
       bondedto (attr store1 < 19.9618908686  and attr store1 > 19.1618908686 ))) 
6 0.1 0.1 peak 2563 volume 41.54497 ppm1 3.466 ppm2 0.956
 
! ############### c13noe.2564 folded +
assi (attr store1 < 1.648 and attr store1 > 1.548 )
     ((attr store1 < 1.933 and attr store1 > 1.873 ) and 
      (bondedto (attr store1 < 115.463109131  and attr store1 > 114.663109131 ) or 
       bondedto (attr store1 < 67.739  and attr store1 > 66.939 ) or 
       bondedto (attr store1 < 20.0148908686  and attr store1 > 19.2148908686 ))) 
6 0.1 0.1 peak 2564 volume 11.02897 ppm1 1.903 ppm2 1.598
 
! ############### c13noe.2565 folded +
assi (attr store1 < 2.452 and attr store1 > 2.352 )
     ((attr store1 < 1.655 and attr store1 > 1.595 ) and 
      (bondedto (attr store1 < 115.459109131  and attr store1 > 114.659109131 ) or 
       bondedto (attr store1 < 67.735  and attr store1 > 66.935 ) or 
       bondedto (attr store1 < 20.0108908686  and attr store1 > 19.2108908686 ))) 
6 0.1 0.1 peak 2565 volume 10.97009 ppm1 1.625 ppm2 2.402
 
! ############### c13noe.2566 folded +
assi (attr store1 < 2.365 and attr store1 > 2.265 )
     ((attr store1 < 1.656 and attr store1 > 1.596 ) and 
      (bondedto (attr store1 < 115.426109131  and attr store1 > 114.626109131 ) or 
       bondedto (attr store1 < 67.702  and attr store1 > 66.902 ) or 
       bondedto (attr store1 < 19.9778908686  and attr store1 > 19.1778908686 ))) 
6 0.1 0.1 peak 2566 volume 10.65951 ppm1 1.626 ppm2 2.315
 
! ############### c13noe.2567 folded +
assi (attr store1 < 7.114 and attr store1 > 7.014 )
     ((attr store1 < 1.652 and attr store1 > 1.592 ) and 
      (bondedto (attr store1 < 115.455109131  and attr store1 > 114.655109131 ) or 
       bondedto (attr store1 < 67.731  and attr store1 > 66.931 ) or 
       bondedto (attr store1 < 20.0068908686  and attr store1 > 19.2068908686 ))) 
6 0.1 0.1 peak 2567 volume 27.10822 ppm1 1.622 ppm2 7.064
 
! ############### c13noe.2568 folded +
assi (attr store1 < 6.892 and attr store1 > 6.792 )
     ((attr store1 < 1.65 and attr store1 > 1.59 ) and 
      (bondedto (attr store1 < 115.439109131  and attr store1 > 114.639109131 ) or 
       bondedto (attr store1 < 67.715  and attr store1 > 66.915 ) or 
       bondedto (attr store1 < 19.9908908686  and attr store1 > 19.1908908686 ))) 
6 0.1 0.1 peak 2568 volume 10.34294 ppm1 1.620 ppm2 6.842
 
! ############### c13noe.2569 folded +
assi (attr store1 < 6.792 and attr store1 > 6.692 )
     ((attr store1 < 1.653 and attr store1 > 1.593 ) and 
      (bondedto (attr store1 < 115.442109131  and attr store1 > 114.642109131 ) or 
       bondedto (attr store1 < 67.718  and attr store1 > 66.918 ) or 
       bondedto (attr store1 < 19.9938908686  and attr store1 > 19.1938908686 ))) 
6 0.1 0.1 peak 2569 volume 10.89706 ppm1 1.623 ppm2 6.742
 
! ############### c13noe.2570 folded +
assi (attr store1 < 3.813 and attr store1 > 3.713 )
     ((attr store1 < 1.652 and attr store1 > 1.592 ) and 
      (bondedto (attr store1 < 115.452109131  and attr store1 > 114.652109131 ) or 
       bondedto (attr store1 < 67.728  and attr store1 > 66.928 ) or 
       bondedto (attr store1 < 20.0038908686  and attr store1 > 19.2038908686 ))) 
6 0.1 0.1 peak 2570 volume 14.21605 ppm1 1.622 ppm2 3.763
 
! ############### c13noe.2571 folded +
assi (attr store1 < 2.39 and attr store1 > 2.29 )
     ((attr store1 < 1.653 and attr store1 > 1.593 ) and 
      (bondedto (attr store1 < 115.460109131  and attr store1 > 114.660109131 ) or 
       bondedto (attr store1 < 67.736  and attr store1 > 66.936 ) or 
       bondedto (attr store1 < 20.0118908686  and attr store1 > 19.2118908686 ))) 
6 0.1 0.1 peak 2571 volume 10.45993 ppm1 1.623 ppm2 2.340
 
! ############### c13noe.2572 folded +
assi (attr store1 < 2.093 and attr store1 > 1.993 )
     ((attr store1 < 1.652 and attr store1 > 1.592 ) and 
      (bondedto (attr store1 < 115.449109131  and attr store1 > 114.649109131 ) or 
       bondedto (attr store1 < 67.725  and attr store1 > 66.925 ) or 
       bondedto (attr store1 < 20.0008908686  and attr store1 > 19.2008908686 ))) 
6 0.1 0.1 peak 2572 volume 35.28072 ppm1 1.622 ppm2 2.043
 
! ############### c13noe.2573 folded +
assi (attr store1 < 2.017 and attr store1 > 1.917 )
     ((attr store1 < 1.652 and attr store1 > 1.592 ) and 
      (bondedto (attr store1 < 115.444109131  and attr store1 > 114.644109131 ) or 
       bondedto (attr store1 < 67.72  and attr store1 > 66.92 ) or 
       bondedto (attr store1 < 19.9958908686  and attr store1 > 19.1958908686 ))) 
6 0.1 0.1 peak 2573 volume 21.25068 ppm1 1.622 ppm2 1.967
 
! ############### c13noe.2574 folded +
assi (attr store1 < 1.939 and attr store1 > 1.839 )
     ((attr store1 < 1.653 and attr store1 > 1.593 ) and 
      (bondedto (attr store1 < 115.421109131  and attr store1 > 114.621109131 ) or 
       bondedto (attr store1 < 67.697  and attr store1 > 66.897 ) or 
       bondedto (attr store1 < 19.9728908686  and attr store1 > 19.1728908686 ))) 
6 0.1 0.1 peak 2574 volume 11.59405 ppm1 1.623 ppm2 1.889
 
! ############### c13noe.2575 folded +
assi (attr store1 < 4.731 and attr store1 > 4.631 )
     ((attr store1 < 1.649 and attr store1 > 1.589 ) and 
      (bondedto (attr store1 < 115.450109131  and attr store1 > 114.650109131 ) or 
       bondedto (attr store1 < 67.726  and attr store1 > 66.926 ) or 
       bondedto (attr store1 < 20.0018908686  and attr store1 > 19.2018908686 ))) 
6 0.1 0.1 peak 2575 volume 29.44796 ppm1 1.619 ppm2 4.681
 
! ############### c13noe.2576 folded +
assi (attr store1 < 3.998 and attr store1 > 3.898 )
     ((attr store1 < 1.649 and attr store1 > 1.589 ) and 
      (bondedto (attr store1 < 115.460109131  and attr store1 > 114.660109131 ) or 
       bondedto (attr store1 < 67.736  and attr store1 > 66.936 ) or 
       bondedto (attr store1 < 20.0118908686  and attr store1 > 19.2118908686 ))) 
6 0.1 0.1 peak 2576 volume 16.36847 ppm1 1.619 ppm2 3.948
 
! ############### c13noe.2577 folded +
assi (attr store1 < 3.912 and attr store1 > 3.812 )
     ((attr store1 < 1.647 and attr store1 > 1.587 ) and 
      (bondedto (attr store1 < 115.457109131  and attr store1 > 114.657109131 ) or 
       bondedto (attr store1 < 67.733  and attr store1 > 66.933 ) or 
       bondedto (attr store1 < 20.0088908686  and attr store1 > 19.2088908686 ))) 
6 0.1 0.1 peak 2577 volume 12.72858 ppm1 1.617 ppm2 3.862
 
! ############### c13noe.2578 folded +
assi (attr store1 < 7.113 and attr store1 > 7.013 )
     ((attr store1 < 1.612 and attr store1 > 1.552 ) and 
      (bondedto (attr store1 < 115.455109131  and attr store1 > 114.655109131 ) or 
       bondedto (attr store1 < 67.731  and attr store1 > 66.931 ) or 
       bondedto (attr store1 < 20.0068908686  and attr store1 > 19.2068908686 ))) 
6 0.1 0.1 peak 2578 volume 24.13339 ppm1 1.582 ppm2 7.063
 
! ############### c13noe.2579 folded +
assi (attr store1 < 6.791 and attr store1 > 6.691 )
     ((attr store1 < 1.614 and attr store1 > 1.554 ) and 
      (bondedto (attr store1 < 115.410109131  and attr store1 > 114.610109131 ) or 
       bondedto (attr store1 < 67.686  and attr store1 > 66.886 ) or 
       bondedto (attr store1 < 19.9618908686  and attr store1 > 19.1618908686 ))) 
6 0.1 0.1 peak 2579 volume 9.32286 ppm1 1.584 ppm2 6.741
 
! ############### c13noe.2580 folded +
assi (attr store1 < 3.998 and attr store1 > 3.898 )
     ((attr store1 < 1.612 and attr store1 > 1.552 ) and 
      (bondedto (attr store1 < 115.453109131  and attr store1 > 114.653109131 ) or 
       bondedto (attr store1 < 67.729  and attr store1 > 66.929 ) or 
       bondedto (attr store1 < 20.0048908686  and attr store1 > 19.2048908686 ))) 
6 0.1 0.1 peak 2580 volume 15.07463 ppm1 1.582 ppm2 3.948
 
! ############### c13noe.2581 folded +
assi (attr store1 < 3.807 and attr store1 > 3.707 )
     ((attr store1 < 1.613 and attr store1 > 1.553 ) and 
      (bondedto (attr store1 < 115.438109131  and attr store1 > 114.638109131 ) or 
       bondedto (attr store1 < 67.714  and attr store1 > 66.914 ) or 
       bondedto (attr store1 < 19.9898908686  and attr store1 > 19.1898908686 ))) 
6 0.1 0.1 peak 2581 volume 12.10510 ppm1 1.583 ppm2 3.757
 
! ############### c13noe.2582 folded +
assi (attr store1 < 2.435 and attr store1 > 2.335 )
     ((attr store1 < 1.614 and attr store1 > 1.554 ) and 
      (bondedto (attr store1 < 115.442109131  and attr store1 > 114.642109131 ) or 
       bondedto (attr store1 < 67.718  and attr store1 > 66.918 ) or 
       bondedto (attr store1 < 19.9938908686  and attr store1 > 19.1938908686 ))) 
6 0.1 0.1 peak 2582 volume 10.67308 ppm1 1.584 ppm2 2.385
 
! ############### c13noe.2583 folded +
assi (attr store1 < 2.359 and attr store1 > 2.259 )
     ((attr store1 < 1.614 and attr store1 > 1.554 ) and 
      (bondedto (attr store1 < 115.440109131  and attr store1 > 114.640109131 ) or 
       bondedto (attr store1 < 67.716  and attr store1 > 66.916 ) or 
       bondedto (attr store1 < 19.9918908686  and attr store1 > 19.1918908686 ))) 
6 0.1 0.1 peak 2583 volume 10.99729 ppm1 1.584 ppm2 2.309
 
! ############### c13noe.2584 folded +
assi (attr store1 < 6.895 and attr store1 > 6.795 )
     ((attr store1 < 1.61 and attr store1 > 1.55 ) and 
      (bondedto (attr store1 < 115.466109131  and attr store1 > 114.666109131 ) or 
       bondedto (attr store1 < 67.742  and attr store1 > 66.942 ) or 
       bondedto (attr store1 < 20.0178908686  and attr store1 > 19.2178908686 ))) 
6 0.1 0.1 peak 2584 volume 9.28564 ppm1 1.580 ppm2 6.845
 
! ############### c13noe.2585 folded +
assi (attr store1 < 4.728 and attr store1 > 4.628 )
     ((attr store1 < 1.61 and attr store1 > 1.55 ) and 
      (bondedto (attr store1 < 115.440109131  and attr store1 > 114.640109131 ) or 
       bondedto (attr store1 < 67.716  and attr store1 > 66.916 ) or 
       bondedto (attr store1 < 19.9918908686  and attr store1 > 19.1918908686 ))) 
6 0.1 0.1 peak 2585 volume 27.68381 ppm1 1.580 ppm2 4.678
 
! ############### c13noe.2586 folded +
assi (attr store1 < 2.096 and attr store1 > 1.996 )
     ((attr store1 < 1.61 and attr store1 > 1.55 ) and 
      (bondedto (attr store1 < 115.463109131  and attr store1 > 114.663109131 ) or 
       bondedto (attr store1 < 67.739  and attr store1 > 66.939 ) or 
       bondedto (attr store1 < 20.0148908686  and attr store1 > 19.2148908686 ))) 
6 0.1 0.1 peak 2586 volume 33.08787 ppm1 1.580 ppm2 2.046
 
! ############### c13noe.2587 folded +
assi (attr store1 < 1.956 and attr store1 > 1.856 )
     ((attr store1 < 1.61 and attr store1 > 1.55 ) and 
      (bondedto (attr store1 < 115.439109131  and attr store1 > 114.639109131 ) or 
       bondedto (attr store1 < 67.715  and attr store1 > 66.915 ) or 
       bondedto (attr store1 < 19.9908908686  and attr store1 > 19.1908908686 ))) 
6 0.1 0.1 peak 2587 volume 11.51325 ppm1 1.580 ppm2 1.906
 
! ############### c13noe.2588 folded +
assi (attr store1 < 0.912 and attr store1 > 0.812 )
     ((attr store1 < 1.571 and attr store1 > 1.511 ) and 
      (bondedto (attr store1 < 115.416109131  and attr store1 > 114.616109131 ) or 
       bondedto (attr store1 < 67.692  and attr store1 > 66.892 ) or 
       bondedto (attr store1 < 19.9678908686  and attr store1 > 19.1678908686 ))) 
6 0.1 0.1 peak 2588 volume 8.63260 ppm1 1.541 ppm2 0.862
 
! ############### c13noe.2589 folded +
assi (attr store1 < 0.935 and attr store1 > 0.835 )
     ((attr store1 < 1.537 and attr store1 > 1.477 ) and 
      (bondedto (attr store1 < 115.441109131  and attr store1 > 114.641109131 ) or 
       bondedto (attr store1 < 67.717  and attr store1 > 66.917 ) or 
       bondedto (attr store1 < 19.9928908686  and attr store1 > 19.1928908686 ))) 
6 0.1 0.1 peak 2589 volume 9.98306 ppm1 1.507 ppm2 0.885
 
! ############### c13noe.2590 folded +
assi (attr store1 < 2.097 and attr store1 > 1.997 )
     ((attr store1 < 1.454 and attr store1 > 1.394 ) and 
      (bondedto (attr store1 < 115.422109131  and attr store1 > 114.622109131 ) or 
       bondedto (attr store1 < 67.698  and attr store1 > 66.898 ) or 
       bondedto (attr store1 < 19.9738908686  and attr store1 > 19.1738908686 ))) 
6 0.1 0.1 peak 2590 volume 8.88601 ppm1 1.424 ppm2 2.047
 
! ############### c13noe.2591 folded +
assi (attr store1 < 0.918 and attr store1 > 0.818 )
     ((attr store1 < 1.449 and attr store1 > 1.389 ) and 
      (bondedto (attr store1 < 115.404109131  and attr store1 > 114.604109131 ) or 
       bondedto (attr store1 < 67.68  and attr store1 > 66.88 ) or 
       bondedto (attr store1 < 19.9558908686  and attr store1 > 19.1558908686 ))) 
6 0.1 0.1 peak 2591 volume 72.96878 ppm1 1.419 ppm2 0.868
 
! ############### c13noe.2592 folded +
assi (attr store1 < 7.549 and attr store1 > 7.449 )
     ((attr store1 < 1.413 and attr store1 > 1.353 ) and 
      (bondedto (attr store1 < 115.402109131  and attr store1 > 114.602109131 ) or 
       bondedto (attr store1 < 67.678  and attr store1 > 66.878 ) or 
       bondedto (attr store1 < 19.9538908686  and attr store1 > 19.1538908686 ))) 
6 0.1 0.1 peak 2592 volume 21.84415 ppm1 1.383 ppm2 7.499
 
! ############### c13noe.2593 folded +
assi (attr store1 < 4.117 and attr store1 > 4.017 )
     ((attr store1 < 1.408 and attr store1 > 1.348 ) and 
      (bondedto (attr store1 < 115.395109131  and attr store1 > 114.595109131 ) or 
       bondedto (attr store1 < 67.671  and attr store1 > 66.871 ) or 
       bondedto (attr store1 < 19.9468908686  and attr store1 > 19.1468908686 ))) 
6 0.1 0.1 peak 2593 volume 8.45668 ppm1 1.378 ppm2 4.067
 
! ############### c13noe.2594 folded +
assi (attr store1 < 3.891 and attr store1 > 3.791 )
     ((attr store1 < 1.411 and attr store1 > 1.351 ) and 
      (bondedto (attr store1 < 115.397109131  and attr store1 > 114.597109131 ) or 
       bondedto (attr store1 < 67.673  and attr store1 > 66.873 ) or 
       bondedto (attr store1 < 19.9488908686  and attr store1 > 19.1488908686 ))) 
6 0.1 0.1 peak 2594 volume 24.34000 ppm1 1.381 ppm2 3.841
 
! ############### c13noe.2595 folded +
assi (attr store1 < 1.159 and attr store1 > 1.059 )
     ((attr store1 < 1.409 and attr store1 > 1.349 ) and 
      (bondedto (attr store1 < 115.439109131  and attr store1 > 114.639109131 ) or 
       bondedto (attr store1 < 67.715  and attr store1 > 66.915 ) or 
       bondedto (attr store1 < 19.9908908686  and attr store1 > 19.1908908686 ))) 
6 0.1 0.1 peak 2595 volume 12.74580 ppm1 1.379 ppm2 1.109
 
! ############### c13noe.2596 folded +
assi (attr store1 < 3.385 and attr store1 > 3.285 )
     ((attr store1 < 1.405 and attr store1 > 1.345 ) and 
      (bondedto (attr store1 < 115.420109131  and attr store1 > 114.620109131 ) or 
       bondedto (attr store1 < 67.696  and attr store1 > 66.896 ) or 
       bondedto (attr store1 < 19.9718908686  and attr store1 > 19.1718908686 ))) 
6 0.1 0.1 peak 2596 volume 6.93066 ppm1 1.375 ppm2 3.335
 
! ############### c13noe.2597 folded -
assi (attr store1 < 4.254 and attr store1 > 4.154 )
     ((attr store1 < 3.286 and attr store1 > 3.226 ) and 
      (bondedto (attr store1 < 91.5560545657  and attr store1 > 90.7560545657 ) or 
       bondedto (attr store1 < 139.280163697  and attr store1 > 138.480163697) or 
       bondedto (attr store1 < 43.8319454343  and attr store1 > 43.0319454343 ))) 
6 0.1 0.1 peak 2597 volume 18.42121 ppm1 3.256 ppm2 4.204
 
! ############### c13noe.2598 folded -
assi (attr store1 < 1.774 and attr store1 > 1.674 )
     ((attr store1 < 3.284 and attr store1 > 3.224 ) and 
      (bondedto (attr store1 < 91.6010545657  and attr store1 > 90.8010545657 ) or 
       bondedto (attr store1 < 139.325163697  and attr store1 > 138.525163697) or 
       bondedto (attr store1 < 43.8769454343  and attr store1 > 43.0769454343 ))) 
6 0.1 0.1 peak 2598 volume 79.79408 ppm1 3.254 ppm2 1.724
 
! ############### c13noe.2599 folded +
assi (attr store1 < 2.356 and attr store1 > 2.256 )
     ((attr store1 < 3.508 and attr store1 > 3.448 ) and 
      (bondedto (attr store1 < 115.302109131  and attr store1 > 114.502109131 ) or 
       bondedto (attr store1 < 67.578  and attr store1 > 66.778 ) or 
       bondedto (attr store1 < 19.8538908686  and attr store1 > 19.0538908686 ))) 
6 0.1 0.1 peak 2599 volume 9.21211 ppm1 3.478 ppm2 2.306
 
! ############### c13noe.2600 folded +
assi (attr store1 < 8.704 and attr store1 > 8.604 )
     ((attr store1 < 1.836 and attr store1 > 1.776 ) and 
      (bondedto (attr store1 < 115.320109131  and attr store1 > 114.520109131 ) or 
       bondedto (attr store1 < 67.596  and attr store1 > 66.796 ) or 
       bondedto (attr store1 < 19.8718908686  and attr store1 > 19.0718908686 ))) 
6 0.1 0.1 peak 2600 volume 7.73588 ppm1 1.806 ppm2 8.654
 
! ############### c13noe.2601 folded +
assi (attr store1 < 4.225 and attr store1 > 4.125 )
     ((attr store1 < 1.832 and attr store1 > 1.772 ) and 
      (bondedto (attr store1 < 115.313109131  and attr store1 > 114.513109131 ) or 
       bondedto (attr store1 < 67.589  and attr store1 > 66.789 ) or 
       bondedto (attr store1 < 19.8648908686  and attr store1 > 19.0648908686 ))) 
6 0.1 0.1 peak 2601 volume 26.10583 ppm1 1.802 ppm2 4.175
 
! ############### c13noe.2602 folded +
assi (attr store1 < 0.889 and attr store1 > 0.789 )
     ((attr store1 < 1.834 and attr store1 > 1.774 ) and 
      (bondedto (attr store1 < 115.313109131  and attr store1 > 114.513109131 ) or 
       bondedto (attr store1 < 67.589  and attr store1 > 66.789 ) or 
       bondedto (attr store1 < 19.8648908686  and attr store1 > 19.0648908686 ))) 
6 0.1 0.1 peak 2602 volume 15.71003 ppm1 1.804 ppm2 0.839
 
! ############### c13noe.2603 folded +
assi (attr store1 < 0.828 and attr store1 > 0.728 )
     ((attr store1 < 1.833 and attr store1 > 1.773 ) and 
      (bondedto (attr store1 < 115.311109131  and attr store1 > 114.511109131 ) or 
       bondedto (attr store1 < 67.587  and attr store1 > 66.787 ) or 
       bondedto (attr store1 < 19.8628908686  and attr store1 > 19.0628908686 ))) 
6 0.1 0.1 peak 2603 volume 18.32124 ppm1 1.803 ppm2 0.778
 
! ############### c13noe.2604 folded +
assi (attr store1 < 1.346 and attr store1 > 1.246 )
     ((attr store1 < 1.828 and attr store1 > 1.768 ) and 
      (bondedto (attr store1 < 115.322109131  and attr store1 > 114.522109131 ) or 
       bondedto (attr store1 < 67.598  and attr store1 > 66.798 ) or 
       bondedto (attr store1 < 19.8738908686  and attr store1 > 19.0738908686 ))) 
6 0.1 0.1 peak 2604 volume 17.17000 ppm1 1.798 ppm2 1.296
 
! ############### c13noe.2605 folded +
assi (attr store1 < 4.456 and attr store1 > 4.356 )
     ((attr store1 < 1.822 and attr store1 > 1.762 ) and 
      (bondedto (attr store1 < 115.296109131  and attr store1 > 114.496109131 ) or 
       bondedto (attr store1 < 67.572  and attr store1 > 66.772 ) or 
       bondedto (attr store1 < 19.8478908686  and attr store1 > 19.0478908686 ))) 
6 0.1 0.1 peak 2605 volume 7.63313 ppm1 1.792 ppm2 4.406
 
! ############### c13noe.2606 folded +
assi (attr store1 < 4.451 and attr store1 > 4.351 )
     ((attr store1 < 1.814 and attr store1 > 1.754 ) and 
      (bondedto (attr store1 < 115.314109131  and attr store1 > 114.514109131 ) or 
       bondedto (attr store1 < 67.59  and attr store1 > 66.79 ) or 
       bondedto (attr store1 < 19.8658908686  and attr store1 > 19.0658908686 ))) 
6 0.1 0.1 peak 2606 volume 7.43679 ppm1 1.784 ppm2 4.401
 
! ############### c13noe.2607 folded +
assi (attr store1 < 4.455 and attr store1 > 4.355 )
     ((attr store1 < 1.791 and attr store1 > 1.731 ) and 
      (bondedto (attr store1 < 115.306109131  and attr store1 > 114.506109131 ) or 
       bondedto (attr store1 < 67.582  and attr store1 > 66.782 ) or 
       bondedto (attr store1 < 19.8578908686  and attr store1 > 19.0578908686 ))) 
6 0.1 0.1 peak 2607 volume 8.46035 ppm1 1.761 ppm2 4.405
 
! ############### c13noe.2608 folded +
assi (attr store1 < 8.706 and attr store1 > 8.606 )
     ((attr store1 < 1.784 and attr store1 > 1.724 ) and 
      (bondedto (attr store1 < 115.315109131  and attr store1 > 114.515109131 ) or 
       bondedto (attr store1 < 67.591  and attr store1 > 66.791 ) or 
       bondedto (attr store1 < 19.8668908686  and attr store1 > 19.0668908686 ))) 
6 0.1 0.1 peak 2608 volume 9.00245 ppm1 1.754 ppm2 8.656
 
! ############### c13noe.2609 folded +
assi (attr store1 < 8.285 and attr store1 > 8.185 )
     ((attr store1 < 1.785 and attr store1 > 1.725 ) and 
      (bondedto (attr store1 < 115.303109131  and attr store1 > 114.503109131 ) or 
       bondedto (attr store1 < 67.579  and attr store1 > 66.779 ) or 
       bondedto (attr store1 < 19.8548908686  and attr store1 > 19.0548908686 ))) 
6 0.1 0.1 peak 2609 volume 20.37630 ppm1 1.755 ppm2 8.235
 
! ############### c13noe.2610 folded +
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 1.781 and attr store1 > 1.721 ) and 
      (bondedto (attr store1 < 115.313109131  and attr store1 > 114.513109131 ) or 
       bondedto (attr store1 < 67.589  and attr store1 > 66.789 ) or 
       bondedto (attr store1 < 19.8648908686  and attr store1 > 19.0648908686 ))) 
6 0.1 0.1 peak 2610 volume 6.53952 ppm1 1.751 ppm2 4.688
 
! ############### c13noe.2611 folded +
assi (attr store1 < 1.452 and attr store1 > 1.352 )
     ((attr store1 < 1.732 and attr store1 > 1.672 ) and 
      (bondedto (attr store1 < 115.380109131  and attr store1 > 114.580109131 ) or 
       bondedto (attr store1 < 67.656  and attr store1 > 66.856 ) or 
       bondedto (attr store1 < 19.9318908686  and attr store1 > 19.1318908686 ))) 
6 0.1 0.1 peak 2611 volume 8.95692 ppm1 1.702 ppm2 1.402
 
! ############### c13noe.2612 folded +
assi (attr store1 < 0.971 and attr store1 > 0.871 )
     ((attr store1 < 1.564 and attr store1 > 1.504 ) and 
      (bondedto (attr store1 < 115.322109131  and attr store1 > 114.522109131 ) or 
       bondedto (attr store1 < 67.598  and attr store1 > 66.798 ) or 
       bondedto (attr store1 < 19.8738908686  and attr store1 > 19.0738908686 ))) 
6 0.1 0.1 peak 2612 volume 8.15237 ppm1 1.534 ppm2 0.921
 
! ############### c13noe.2613 folded +
assi (attr store1 < 4.128 and attr store1 > 4.028 )
     ((attr store1 < 1.455 and attr store1 > 1.395 ) and 
      (bondedto (attr store1 < 115.356109131  and attr store1 > 114.556109131 ) or 
       bondedto (attr store1 < 67.632  and attr store1 > 66.832 ) or 
       bondedto (attr store1 < 19.9078908686  and attr store1 > 19.1078908686 ))) 
6 0.1 0.1 peak 2613 volume 10.05779 ppm1 1.425 ppm2 4.078
 
! ############### c13noe.2614 folded +
assi (attr store1 < 3.378 and attr store1 > 3.278 )
     ((attr store1 < 1.457 and attr store1 > 1.397 ) and 
      (bondedto (attr store1 < 115.378109131  and attr store1 > 114.578109131 ) or 
       bondedto (attr store1 < 67.654  and attr store1 > 66.854 ) or 
       bondedto (attr store1 < 19.9298908686  and attr store1 > 19.1298908686 ))) 
6 0.1 0.1 peak 2614 volume 7.08507 ppm1 1.427 ppm2 3.328
 
! ############### c13noe.2615 folded +
assi (attr store1 < 8.029 and attr store1 > 7.929 )
     ((attr store1 < 1.447 and attr store1 > 1.387 ) and 
      (bondedto (attr store1 < 115.355109131  and attr store1 > 114.555109131 ) or 
       bondedto (attr store1 < 67.631  and attr store1 > 66.831 ) or 
       bondedto (attr store1 < 19.9068908686  and attr store1 > 19.1068908686 ))) 
6 0.1 0.1 peak 2615 volume 12.46240 ppm1 1.417 ppm2 7.979
 
! ############### c13noe.2616 folded +
assi (attr store1 < 7.549 and attr store1 > 7.449 )
     ((attr store1 < 1.449 and attr store1 > 1.389 ) and 
      (bondedto (attr store1 < 115.382109131  and attr store1 > 114.582109131 ) or 
       bondedto (attr store1 < 67.658  and attr store1 > 66.858 ) or 
       bondedto (attr store1 < 19.9338908686  and attr store1 > 19.1338908686 ))) 
6 0.1 0.1 peak 2616 volume 23.66510 ppm1 1.419 ppm2 7.499
 
! ############### c13noe.2617 folded +
assi (attr store1 < 3.893 and attr store1 > 3.793 )
     ((attr store1 < 1.45 and attr store1 > 1.39 ) and 
      (bondedto (attr store1 < 115.387109131  and attr store1 > 114.587109131 ) or 
       bondedto (attr store1 < 67.663  and attr store1 > 66.863 ) or 
       bondedto (attr store1 < 19.9388908686  and attr store1 > 19.1388908686 ))) 
6 0.1 0.1 peak 2617 volume 24.58743 ppm1 1.420 ppm2 3.843
 
! ############### c13noe.2618 folded +
assi (attr store1 < 1.002 and attr store1 > 0.902 )
     ((attr store1 < 1.45 and attr store1 > 1.39 ) and 
      (bondedto (attr store1 < 115.366109131  and attr store1 > 114.566109131 ) or 
       bondedto (attr store1 < 67.642  and attr store1 > 66.842 ) or 
       bondedto (attr store1 < 19.9178908686  and attr store1 > 19.1178908686 ))) 
6 0.1 0.1 peak 2618 volume 38.41248 ppm1 1.420 ppm2 0.952
 
! ############### c13noe.2619 folded +
assi (attr store1 < 2.115 and attr store1 > 2.015 )
     ((attr store1 < 1.431 and attr store1 > 1.371 ) and 
      (bondedto (attr store1 < 115.344109131  and attr store1 > 114.544109131 ) or 
       bondedto (attr store1 < 67.62  and attr store1 > 66.82 ) or 
       bondedto (attr store1 < 19.8958908686  and attr store1 > 19.0958908686 ))) 
6 0.1 0.1 peak 2619 volume 7.26704 ppm1 1.401 ppm2 2.065
 
! ############### c13noe.2620 folded +
assi (attr store1 < 2.103 and attr store1 > 2.003 )
     ((attr store1 < 1.417 and attr store1 > 1.357 ) and 
      (bondedto (attr store1 < 115.364109131  and attr store1 > 114.564109131 ) or 
       bondedto (attr store1 < 67.64  and attr store1 > 66.84 ) or 
       bondedto (attr store1 < 19.9158908686  and attr store1 > 19.1158908686 ))) 
6 0.1 0.1 peak 2620 volume 6.77820 ppm1 1.387 ppm2 2.053
 
! ############### c13noe.2621 folded +
assi (attr store1 < 0.995 and attr store1 > 0.895 )
     ((attr store1 < 1.415 and attr store1 > 1.355 ) and 
      (bondedto (attr store1 < 115.387109131  and attr store1 > 114.587109131 ) or 
       bondedto (attr store1 < 67.663  and attr store1 > 66.863 ) or 
       bondedto (attr store1 < 19.9388908686  and attr store1 > 19.1388908686 ))) 
6 0.1 0.1 peak 2621 volume 34.64056 ppm1 1.385 ppm2 0.945
 
! ############### c13noe.2622 folded +
assi (attr store1 < 0.915 and attr store1 > 0.815 )
     ((attr store1 < 1.413 and attr store1 > 1.353 ) and 
      (bondedto (attr store1 < 115.382109131  and attr store1 > 114.582109131 ) or 
       bondedto (attr store1 < 67.658  and attr store1 > 66.858 ) or 
       bondedto (attr store1 < 19.9338908686  and attr store1 > 19.1338908686 ))) 
6 0.1 0.1 peak 2622 volume 64.07652 ppm1 1.383 ppm2 0.865
 
! ############### c13noe.2623 folded +
assi (attr store1 < 1.447 and attr store1 > 1.347 )
     ((attr store1 < 1.127 and attr store1 > 1.067 ) and 
      (bondedto (attr store1 < 115.358109131  and attr store1 > 114.558109131 ) or 
       bondedto (attr store1 < 67.634  and attr store1 > 66.834 ) or 
       bondedto (attr store1 < 19.9098908686  and attr store1 > 19.1098908686 ))) 
6 0.1 0.1 peak 2623 volume 9.47003 ppm1 1.097 ppm2 1.397
 
! ############### c13noe.2624 folded +
assi (attr store1 < 1.248 and attr store1 > 1.148 )
     ((attr store1 < 0.906 and attr store1 > 0.846 ) and 
      (bondedto (attr store1 < 115.303109131  and attr store1 > 114.503109131 ) or 
       bondedto (attr store1 < 67.579  and attr store1 > 66.779 ) or 
       bondedto (attr store1 < 19.8548908686  and attr store1 > 19.0548908686 ))) 
6 0.1 0.1 peak 2624 volume 16.82391 ppm1 0.876 ppm2 1.198
 
! ############### c13noe.2625 folded +
assi (attr store1 < 1.501 and attr store1 > 1.401 )
     ((attr store1 < 0.902 and attr store1 > 0.842 ) and 
      (bondedto (attr store1 < 115.332109131  and attr store1 > 114.532109131 ) or 
       bondedto (attr store1 < 67.608  and attr store1 > 66.808 ) or 
       bondedto (attr store1 < 19.8838908686  and attr store1 > 19.0838908686 ))) 
6 0.1 0.1 peak 2625 volume 10.37282 ppm1 0.872 ppm2 1.451
 
! ############### c13noe.2626 folded -
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 3.345 and attr store1 > 3.285 ) and 
      (bondedto (attr store1 < 91.5050545657  and attr store1 > 90.7050545657 ) or 
       bondedto (attr store1 < 139.229163697  and attr store1 > 138.429163697) or 
       bondedto (attr store1 < 43.7809454343  and attr store1 > 42.9809454343 ))) 
6 0.1 0.1 peak 2626 volume 18.09009 ppm1 3.315 ppm2 4.688
 
! ############### c13noe.2627 folded -
assi (attr store1 < 4.261 and attr store1 > 4.161 )
     ((attr store1 < 3.346 and attr store1 > 3.286 ) and 
      (bondedto (attr store1 < 91.5220545657  and attr store1 > 90.7220545657 ) or 
       bondedto (attr store1 < 139.246163697  and attr store1 > 138.446163697) or 
       bondedto (attr store1 < 43.7979454343  and attr store1 > 42.9979454343 ))) 
6 0.1 0.1 peak 2627 volume 15.26024 ppm1 3.316 ppm2 4.211
 
! ############### c13noe.2628 folded -
assi (attr store1 < 2.186 and attr store1 > 2.086 )
     ((attr store1 < 3.343 and attr store1 > 3.283 ) and 
      (bondedto (attr store1 < 91.4950545657  and attr store1 > 90.6950545657 ) or 
       bondedto (attr store1 < 139.219163697  and attr store1 > 138.419163697) or 
       bondedto (attr store1 < 43.7709454343  and attr store1 > 42.9709454343 ))) 
6 0.1 0.1 peak 2628 volume 10.03423 ppm1 3.313 ppm2 2.136
 
! ############### c13noe.2629 folded -
assi (attr store1 < 2.009 and attr store1 > 1.909 )
     ((attr store1 < 3.346 and attr store1 > 3.286 ) and 
      (bondedto (attr store1 < 91.4980545657  and attr store1 > 90.6980545657 ) or 
       bondedto (attr store1 < 139.222163697  and attr store1 > 138.422163697) or 
       bondedto (attr store1 < 43.7739454343  and attr store1 > 42.9739454343 ))) 
6 0.1 0.1 peak 2629 volume 34.84142 ppm1 3.316 ppm2 1.959
 
! ############### c13noe.2630 folded -
assi (attr store1 < 1.802 and attr store1 > 1.702 )
     ((attr store1 < 3.346 and attr store1 > 3.286 ) and 
      (bondedto (attr store1 < 91.5010545657  and attr store1 > 90.7010545657 ) or 
       bondedto (attr store1 < 139.225163697  and attr store1 > 138.425163697) or 
       bondedto (attr store1 < 43.7769454343  and attr store1 > 42.9769454343 ))) 
6 0.1 0.1 peak 2630 volume 60.15664 ppm1 3.316 ppm2 1.752
 
! ############### c13noe.2631 folded -
assi (attr store1 < 1.747 and attr store1 > 1.647 )
     ((attr store1 < 3.346 and attr store1 > 3.286 ) and 
      (bondedto (attr store1 < 91.5040545657  and attr store1 > 90.7040545657 ) or 
       bondedto (attr store1 < 139.228163697  and attr store1 > 138.428163697) or 
       bondedto (attr store1 < 43.7799454343  and attr store1 > 42.9799454343 ))) 
6 0.1 0.1 peak 2631 volume 53.75153 ppm1 3.316 ppm2 1.697
 
! ############### c13noe.2632 folded -
assi (attr store1 < 2.173 and attr store1 > 2.073 )
     ((attr store1 < 3.283 and attr store1 > 3.223 ) and 
      (bondedto (attr store1 < 91.4470545657  and attr store1 > 90.6470545657 ) or 
       bondedto (attr store1 < 139.171163697  and attr store1 > 138.371163697) or 
       bondedto (attr store1 < 43.7229454343  and attr store1 > 42.9229454343 ))) 
6 0.1 0.1 peak 2632 volume 7.95631 ppm1 3.253 ppm2 2.123
 
! ############### c13noe.2633 folded -
assi (attr store1 < 2.006 and attr store1 > 1.906 )
     ((attr store1 < 3.284 and attr store1 > 3.224 ) and 
      (bondedto (attr store1 < 91.4970545657  and attr store1 > 90.6970545657 ) or 
       bondedto (attr store1 < 139.221163697  and attr store1 > 138.421163697) or 
       bondedto (attr store1 < 43.7729454343  and attr store1 > 42.9729454343 ))) 
6 0.1 0.1 peak 2633 volume 35.16825 ppm1 3.254 ppm2 1.956
 
! ############### c13noe.2634 folded -
assi (attr store1 < 2.856 and attr store1 > 2.756 )
     ((attr store1 < 3.056 and attr store1 > 2.996 ) and 
      (bondedto (attr store1 < 91.4810545657  and attr store1 > 90.6810545657 ) or 
       bondedto (attr store1 < 139.205163697  and attr store1 > 138.405163697) or 
       bondedto (attr store1 < 43.7569454343  and attr store1 > 42.9569454343 ))) 
6 0.1 0.1 peak 2634 volume 10.39426 ppm1 3.026 ppm2 2.806
 
! ############### c13noe.2635 folded -
assi (attr store1 < 1.772 and attr store1 > 1.672 )
     ((attr store1 < 3.053 and attr store1 > 2.993 ) and 
      (bondedto (attr store1 < 91.4360545657  and attr store1 > 90.6360545657 ) or 
       bondedto (attr store1 < 139.160163697  and attr store1 > 138.360163697) or 
       bondedto (attr store1 < 43.7119454343  and attr store1 > 42.9119454343 ))) 
6 0.1 0.1 peak 2635 volume 13.69637 ppm1 3.023 ppm2 1.722
 
! ############### c13noe.2636 folded -
assi (attr store1 < 3.078 and attr store1 > 2.978 )
     ((attr store1 < 2.834 and attr store1 > 2.774 ) and 
      (bondedto (attr store1 < 91.4770545657  and attr store1 > 90.6770545657 ) or 
       bondedto (attr store1 < 139.201163697  and attr store1 > 138.401163697) or 
       bondedto (attr store1 < 43.7529454343  and attr store1 > 42.9529454343 ))) 
6 0.1 0.1 peak 2636 volume 10.62551 ppm1 2.804 ppm2 3.028
 
! ############### c13noe.2637 folded -
assi (attr store1 < 3.368 and attr store1 > 3.268 )
     ((attr store1 < 1.783 and attr store1 > 1.723 ) and 
      (bondedto (attr store1 < 91.4810545657  and attr store1 > 90.6810545657 ) or 
       bondedto (attr store1 < 139.205163697  and attr store1 > 138.405163697) or 
       bondedto (attr store1 < 43.7569454343  and attr store1 > 42.9569454343 ))) 
6 0.1 0.1 peak 2637 volume 14.67805 ppm1 1.753 ppm2 3.318
 
! ############### c13noe.2638 folded -
assi (attr store1 < 3.358 and attr store1 > 3.258 )
     ((attr store1 < 1.723 and attr store1 > 1.663 ) and 
      (bondedto (attr store1 < 91.4930545657  and attr store1 > 90.6930545657 ) or 
       bondedto (attr store1 < 139.217163697  and attr store1 > 138.417163697) or 
       bondedto (attr store1 < 43.7689454343  and attr store1 > 42.9689454343 ))) 
6 0.1 0.1 peak 2638 volume 21.90744 ppm1 1.693 ppm2 3.308
 
! ############### c13noe.2639 folded +
assi (attr store1 < 3.908 and attr store1 > 3.808 )
     ((attr store1 < 3.805 and attr store1 > 3.745 ) and 
      (bondedto (attr store1 < 115.263109131  and attr store1 > 114.463109131 ) or 
       bondedto (attr store1 < 67.539  and attr store1 > 66.739 ) or 
       bondedto (attr store1 < 19.8148908686  and attr store1 > 19.0148908686 ))) 
6 0.1 0.1 peak 2639 volume 28.69937 ppm1 3.775 ppm2 3.858
 
! ############### c13noe.2640 folded +
assi (attr store1 < 8.288 and attr store1 > 8.188 )
     ((attr store1 < 1.832 and attr store1 > 1.772 ) and 
      (bondedto (attr store1 < 115.283109131  and attr store1 > 114.483109131 ) or 
       bondedto (attr store1 < 67.559  and attr store1 > 66.759 ) or 
       bondedto (attr store1 < 19.8348908686  and attr store1 > 19.0348908686 ))) 
6 0.1 0.1 peak 2640 volume 21.34582 ppm1 1.802 ppm2 8.238
 
! ############### c13noe.2641 folded +
assi (attr store1 < 4.455 and attr store1 > 4.355 )
     ((attr store1 < 1.833 and attr store1 > 1.773 ) and 
      (bondedto (attr store1 < 115.282109131  and attr store1 > 114.482109131 ) or 
       bondedto (attr store1 < 67.558  and attr store1 > 66.758 ) or 
       bondedto (attr store1 < 19.8338908686  and attr store1 > 19.0338908686 ))) 
6 0.1 0.1 peak 2641 volume 7.49491 ppm1 1.803 ppm2 4.405
 
! ############### c13noe.2642 folded +
assi (attr store1 < 0.998 and attr store1 > 0.898 )
     ((attr store1 < 1.832 and attr store1 > 1.772 ) and 
      (bondedto (attr store1 < 115.282109131  and attr store1 > 114.482109131 ) or 
       bondedto (attr store1 < 67.558  and attr store1 > 66.758 ) or 
       bondedto (attr store1 < 19.8338908686  and attr store1 > 19.0338908686 ))) 
6 0.1 0.1 peak 2642 volume 22.13627 ppm1 1.802 ppm2 0.948
 
! ############### c13noe.2643 folded +
assi (attr store1 < 3.805 and attr store1 > 3.705 )
     ((attr store1 < 1.827 and attr store1 > 1.767 ) and 
      (bondedto (attr store1 < 115.277109131  and attr store1 > 114.477109131 ) or 
       bondedto (attr store1 < 67.553  and attr store1 > 66.753 ) or 
       bondedto (attr store1 < 19.8288908686  and attr store1 > 19.0288908686 ))) 
6 0.1 0.1 peak 2643 volume 13.50457 ppm1 1.797 ppm2 3.755
 
! ############### c13noe.2644 folded +
assi (attr store1 < 0.889 and attr store1 > 0.789 )
     ((attr store1 < 1.824 and attr store1 > 1.764 ) and 
      (bondedto (attr store1 < 115.280109131  and attr store1 > 114.480109131 ) or 
       bondedto (attr store1 < 67.556  and attr store1 > 66.756 ) or 
       bondedto (attr store1 < 19.8318908686  and attr store1 > 19.0318908686 ))) 
6 0.1 0.1 peak 2644 volume 15.10606 ppm1 1.794 ppm2 0.839
 
! ############### c13noe.2645 folded +
assi (attr store1 < 8.698 and attr store1 > 8.598 )
     ((attr store1 < 1.819 and attr store1 > 1.759 ) and 
      (bondedto (attr store1 < 115.270109131  and attr store1 > 114.470109131 ) or 
       bondedto (attr store1 < 67.546  and attr store1 > 66.746 ) or 
       bondedto (attr store1 < 19.8218908686  and attr store1 > 19.0218908686 ))) 
6 0.1 0.1 peak 2645 volume 8.00171 ppm1 1.789 ppm2 8.648
 
! ############### c13noe.2646 folded +
assi (attr store1 < 0.888 and attr store1 > 0.788 )
     ((attr store1 < 1.812 and attr store1 > 1.752 ) and 
      (bondedto (attr store1 < 115.252109131  and attr store1 > 114.452109131 ) or 
       bondedto (attr store1 < 67.528  and attr store1 > 66.728 ) or 
       bondedto (attr store1 < 19.8038908686  and attr store1 > 19.0038908686 ))) 
6 0.1 0.1 peak 2646 volume 14.78364 ppm1 1.782 ppm2 0.838
 
! ############### c13noe.2647 folded +
assi (attr store1 < 4.231 and attr store1 > 4.131 )
     ((attr store1 < 1.79 and attr store1 > 1.73 ) and 
      (bondedto (attr store1 < 115.290109131  and attr store1 > 114.490109131 ) or 
       bondedto (attr store1 < 67.566  and attr store1 > 66.766 ) or 
       bondedto (attr store1 < 19.8418908686  and attr store1 > 19.0418908686 ))) 
6 0.1 0.1 peak 2647 volume 23.81531 ppm1 1.760 ppm2 4.181
 
! ############### c13noe.2648 folded +
assi (attr store1 < 3.803 and attr store1 > 3.703 )
     ((attr store1 < 1.788 and attr store1 > 1.728 ) and 
      (bondedto (attr store1 < 115.277109131  and attr store1 > 114.477109131 ) or 
       bondedto (attr store1 < 67.553  and attr store1 > 66.753 ) or 
       bondedto (attr store1 < 19.8288908686  and attr store1 > 19.0288908686 ))) 
6 0.1 0.1 peak 2648 volume 13.68032 ppm1 1.758 ppm2 3.753
 
! ############### c13noe.2649 folded +
assi (attr store1 < 1.347 and attr store1 > 1.247 )
     ((attr store1 < 1.788 and attr store1 > 1.728 ) and 
      (bondedto (attr store1 < 115.276109131  and attr store1 > 114.476109131 ) or 
       bondedto (attr store1 < 67.552  and attr store1 > 66.752 ) or 
       bondedto (attr store1 < 19.8278908686  and attr store1 > 19.0278908686 ))) 
6 0.1 0.1 peak 2649 volume 16.87998 ppm1 1.758 ppm2 1.297
 
! ############### c13noe.2650 folded +
assi (attr store1 < 0.996 and attr store1 > 0.896 )
     ((attr store1 < 1.789 and attr store1 > 1.729 ) and 
      (bondedto (attr store1 < 115.276109131  and attr store1 > 114.476109131 ) or 
       bondedto (attr store1 < 67.552  and attr store1 > 66.752 ) or 
       bondedto (attr store1 < 19.8278908686  and attr store1 > 19.0278908686 ))) 
6 0.1 0.1 peak 2650 volume 19.96660 ppm1 1.759 ppm2 0.946
 
! ############### c13noe.2651 folded +
assi (attr store1 < 0.832 and attr store1 > 0.732 )
     ((attr store1 < 1.789 and attr store1 > 1.729 ) and 
      (bondedto (attr store1 < 115.280109131  and attr store1 > 114.480109131 ) or 
       bondedto (attr store1 < 67.556  and attr store1 > 66.756 ) or 
       bondedto (attr store1 < 19.8318908686  and attr store1 > 19.0318908686 ))) 
6 0.1 0.1 peak 2651 volume 17.72632 ppm1 1.759 ppm2 0.782
 
! ############### c13noe.2652 folded +
assi (attr store1 < 0.889 and attr store1 > 0.789 )
     ((attr store1 < 1.785 and attr store1 > 1.725 ) and 
      (bondedto (attr store1 < 115.255109131  and attr store1 > 114.455109131 ) or 
       bondedto (attr store1 < 67.531  and attr store1 > 66.731 ) or 
       bondedto (attr store1 < 19.8068908686  and attr store1 > 19.0068908686 ))) 
6 0.1 0.1 peak 2652 volume 14.66925 ppm1 1.755 ppm2 0.839
 
! ############### c13noe.2653 folded +
assi (attr store1 < 0.998 and attr store1 > 0.898 )
     ((attr store1 < 1.557 and attr store1 > 1.497 ) and 
      (bondedto (attr store1 < 115.277109131  and attr store1 > 114.477109131 ) or 
       bondedto (attr store1 < 67.553  and attr store1 > 66.753 ) or 
       bondedto (attr store1 < 19.8288908686  and attr store1 > 19.0288908686 ))) 
6 0.1 0.1 peak 2653 volume 7.94484 ppm1 1.527 ppm2 0.948
 
! ############### c13noe.2654 folded -
assi (attr store1 < 4.385 and attr store1 > 4.285 )
     ((attr store1 < 2.952 and attr store1 > 2.892 ) and 
      (bondedto (attr store1 < 91.4160545657  and attr store1 > 90.6160545657 ) or 
       bondedto (attr store1 < 139.140163697  and attr store1 > 138.340163697) or 
       bondedto (attr store1 < 43.6919454343  and attr store1 > 42.8919454343 ))) 
6 0.1 0.1 peak 2654 volume 16.82719 ppm1 2.922 ppm2 4.335
 
! ############### c13noe.2655 folded -
assi (attr store1 < 7.157 and attr store1 > 7.057 )
     ((attr store1 < 2.949 and attr store1 > 2.889 ) and 
      (bondedto (attr store1 < 91.3770545657  and attr store1 > 90.5770545657 ) or 
       bondedto (attr store1 < 139.101163697  and attr store1 > 138.301163697) or 
       bondedto (attr store1 < 43.6529454343  and attr store1 > 42.8529454343 ))) 
6 0.1 0.1 peak 2655 volume 7.16986 ppm1 2.919 ppm2 7.107
 
! ############### c13noe.2656 folded -
assi (attr store1 < 2.708 and attr store1 > 2.608 )
     ((attr store1 < 2.948 and attr store1 > 2.888 ) and 
      (bondedto (attr store1 < 91.3880545657  and attr store1 > 90.5880545657 ) or 
       bondedto (attr store1 < 139.112163697  and attr store1 > 138.312163697) or 
       bondedto (attr store1 < 43.6639454343  and attr store1 > 42.8639454343 ))) 
6 0.1 0.1 peak 2656 volume 62.97096 ppm1 2.918 ppm2 2.658
 
! ############### c13noe.2657 folded -
assi (attr store1 < 1.469 and attr store1 > 1.369 )
     ((attr store1 < 2.951 and attr store1 > 2.891 ) and 
      (bondedto (attr store1 < 91.3810545657  and attr store1 > 90.5810545657 ) or 
       bondedto (attr store1 < 139.105163697  and attr store1 > 138.305163697) or 
       bondedto (attr store1 < 43.6569454343  and attr store1 > 42.8569454343 ))) 
6 0.1 0.1 peak 2657 volume 11.55583 ppm1 2.921 ppm2 1.419
 
! ############### c13noe.2658 folded -
assi (attr store1 < 1.173 and attr store1 > 1.073 )
     ((attr store1 < 2.949 and attr store1 > 2.889 ) and 
      (bondedto (attr store1 < 91.3940545657  and attr store1 > 90.5940545657 ) or 
       bondedto (attr store1 < 139.118163697  and attr store1 > 138.318163697) or 
       bondedto (attr store1 < 43.6699454343  and attr store1 > 42.8699454343 ))) 
6 0.1 0.1 peak 2658 volume 11.5078 ppm1 2.919 ppm2 1.123
 
! ############### c13noe.2659 folded -
assi (attr store1 < 1.629 and attr store1 > 1.529 )
     ((attr store1 < 2.946 and attr store1 > 2.886 ) and 
      (bondedto (attr store1 < 91.4160545657  and attr store1 > 90.6160545657 ) or 
       bondedto (attr store1 < 139.140163697  and attr store1 > 138.340163697) or 
       bondedto (attr store1 < 43.6919454343  and attr store1 > 42.8919454343 ))) 
6 0.1 0.1 peak 2659 volume 9.24467 ppm1 2.916 ppm2 1.579
 
! ############### c13noe.2660 folded -
assi (attr store1 < 4.74 and attr store1 > 4.64 )
     ((attr store1 < 2.688 and attr store1 > 2.628 ) and 
      (bondedto (attr store1 < 91.4020545657  and attr store1 > 90.6020545657 ) or 
       bondedto (attr store1 < 139.126163697  and attr store1 > 138.326163697) or 
       bondedto (attr store1 < 43.6779454343  and attr store1 > 42.8779454343 ))) 
6 0.1 0.1 peak 2660 volume 17.08857 ppm1 2.658 ppm2 4.690
 
! ############### c13noe.2661 folded -
assi (attr store1 < 2.97 and attr store1 > 2.87 )
     ((attr store1 < 2.689 and attr store1 > 2.629 ) and 
      (bondedto (attr store1 < 91.3850545657  and attr store1 > 90.5850545657 ) or 
       bondedto (attr store1 < 139.109163697  and attr store1 > 138.309163697) or 
       bondedto (attr store1 < 43.6609454343  and attr store1 > 42.8609454343 ))) 
6 0.1 0.1 peak 2661 volume 62.05141 ppm1 2.659 ppm2 2.920
 
! ############### c13noe.2662 folded -
assi (attr store1 < 1.173 and attr store1 > 1.073 )
     ((attr store1 < 2.69 and attr store1 > 2.63 ) and 
      (bondedto (attr store1 < 91.3740545657  and attr store1 > 90.5740545657 ) or 
       bondedto (attr store1 < 139.098163697  and attr store1 > 138.298163697) or 
       bondedto (attr store1 < 43.6499454343  and attr store1 > 42.8499454343 ))) 
6 0.1 0.1 peak 2662 volume 10.42948 ppm1 2.660 ppm2 1.123
 
! ############### c13noe.2663 folded -
assi (attr store1 < 4.387 and attr store1 > 4.287 )
     ((attr store1 < 2.687 and attr store1 > 2.627 ) and 
      (bondedto (attr store1 < 91.3900545657  and attr store1 > 90.5900545657 ) or 
       bondedto (attr store1 < 139.114163697  and attr store1 > 138.314163697) or 
       bondedto (attr store1 < 43.6659454343  and attr store1 > 42.8659454343 ))) 
6 0.1 0.1 peak 2663 volume 11.07968 ppm1 2.657 ppm2 4.337
 
! ############### c13noe.2664 folded -
assi (attr store1 < 1.727 and attr store1 > 1.627 )
     ((attr store1 < 2.687 and attr store1 > 2.627 ) and 
      (bondedto (attr store1 < 91.3670545657  and attr store1 > 90.5670545657 ) or 
       bondedto (attr store1 < 139.091163697  and attr store1 > 138.291163697) or 
       bondedto (attr store1 < 43.6429454343  and attr store1 > 42.8429454343 ))) 
6 0.1 0.1 peak 2664 volume 10.46945 ppm1 2.657 ppm2 1.677
 
! ############### c13noe.2665 folded -
assi (attr store1 < 1.618 and attr store1 > 1.518 )
     ((attr store1 < 2.687 and attr store1 > 2.627 ) and 
      (bondedto (attr store1 < 91.3920545657  and attr store1 > 90.5920545657 ) or 
       bondedto (attr store1 < 139.116163697  and attr store1 > 138.316163697) or 
       bondedto (attr store1 < 43.6679454343  and attr store1 > 42.8679454343 ))) 
6 0.1 0.1 peak 2665 volume 7.77556 ppm1 2.657 ppm2 1.568
 
! ############### c13noe.2666 folded -
assi (attr store1 < 7.157 and attr store1 > 7.057 )
     ((attr store1 < 2.682 and attr store1 > 2.622 ) and 
      (bondedto (attr store1 < 91.3890545657  and attr store1 > 90.5890545657 ) or 
       bondedto (attr store1 < 139.113163697  and attr store1 > 138.313163697) or 
       bondedto (attr store1 < 43.6649454343  and attr store1 > 42.8649454343 ))) 
6 0.1 0.1 peak 2666 volume 7.13969 ppm1 2.652 ppm2 7.107
 
! ############### c13noe.2667 folded -
assi (attr store1 < 2.011 and attr store1 > 1.911 )
     ((attr store1 < 2.343 and attr store1 > 2.283 ) and 
      (bondedto (attr store1 < 91.3920545657  and attr store1 > 90.5920545657 ) or 
       bondedto (attr store1 < 139.116163697  and attr store1 > 138.316163697) or 
       bondedto (attr store1 < 43.6679454343  and attr store1 > 42.8679454343 ))) 
6 0.1 0.1 peak 2667 volume 16.82997 ppm1 2.313 ppm2 1.961
 
! ############### c13noe.2668 folded -
assi (attr store1 < 2.365 and attr store1 > 2.265 )
     ((attr store1 < 2.014 and attr store1 > 1.954 ) and 
      (bondedto (attr store1 < 91.3670545657  and attr store1 > 90.5670545657 ) or 
       bondedto (attr store1 < 139.091163697  and attr store1 > 138.291163697) or 
       bondedto (attr store1 < 43.6429454343  and attr store1 > 42.8429454343 ))) 
6 0.1 0.1 peak 2668 volume 9.22575 ppm1 1.984 ppm2 2.315
 
! ############### c13noe.2669 folded -
assi (attr store1 < 2.368 and attr store1 > 2.268 )
     ((attr store1 < 1.997 and attr store1 > 1.937 ) and 
      (bondedto (attr store1 < 91.3870545657  and attr store1 > 90.5870545657 ) or 
       bondedto (attr store1 < 139.111163697  and attr store1 > 138.311163697) or 
       bondedto (attr store1 < 43.6629454343  and attr store1 > 42.8629454343 ))) 
6 0.1 0.1 peak 2669 volume 8.93831 ppm1 1.967 ppm2 2.318
 
! ############### c13noe.2670 folded -
assi (attr store1 < 3.304 and attr store1 > 3.204 )
     ((attr store1 < 1.724 and attr store1 > 1.664 ) and 
      (bondedto (attr store1 < 91.3610545657  and attr store1 > 90.5610545657 ) or 
       bondedto (attr store1 < 139.085163697  and attr store1 > 138.285163697) or 
       bondedto (attr store1 < 43.6369454343  and attr store1 > 42.8369454343 ))) 
6 0.1 0.1 peak 2670 volume 12.79723 ppm1 1.694 ppm2 3.254
 
! ############### c13noe.2671 folded -
assi (attr store1 < 1.51 and attr store1 > 1.41 )
     ((attr store1 < 1.217 and attr store1 > 1.157 ) and 
      (bondedto (attr store1 < 91.3730545657  and attr store1 > 90.5730545657 ) or 
       bondedto (attr store1 < 139.097163697  and attr store1 > 138.297163697) or 
       bondedto (attr store1 < 43.6489454343  and attr store1 > 42.8489454343 ))) 
6 0.1 0.1 peak 2671 volume 38.48232 ppm1 1.187 ppm2 1.460
 
! ############### c13noe.2672 folded +
assi (attr store1 < 3.885 and attr store1 > 3.785 )
     ((attr store1 < 3.701 and attr store1 > 3.641 ) and 
      (bondedto (attr store1 < 115.147109131  and attr store1 > 114.347109131 ) or 
       bondedto (attr store1 < 67.423  and attr store1 > 66.623 ) or 
       bondedto (attr store1 < 19.6988908686  and attr store1 > 18.8988908686 ))) 
6 0.1 0.1 peak 2672 volume 26.28339 ppm1 3.671 ppm2 3.835
 
! ############### c13noe.2673 folded +
assi (attr store1 < 0.925 and attr store1 > 0.825 )
     ((attr store1 < 1.227 and attr store1 > 1.167 ) and 
      (bondedto (attr store1 < 115.131109131  and attr store1 > 114.331109131 ) or 
       bondedto (attr store1 < 67.407  and attr store1 > 66.607 ) or 
       bondedto (attr store1 < 19.6828908686  and attr store1 > 18.8828908686 ))) 
6 0.1 0.1 peak 2673 volume 18.91949 ppm1 1.197 ppm2 0.875
 
! ############### c13noe.2674 folded -
assi (attr store1 < 2.361 and attr store1 > 2.261 )
     ((attr store1 < 1.977 and attr store1 > 1.917 ) and 
      (bondedto (attr store1 < 91.3350545657  and attr store1 > 90.5350545657 ) or 
       bondedto (attr store1 < 139.059163697  and attr store1 > 138.259163697) or 
       bondedto (attr store1 < 43.6109454343  and attr store1 > 42.8109454343 ))) 
6 0.1 0.1 peak 2674 volume 10.05789 ppm1 1.947 ppm2 2.311
 
! ############### c13noe.2675 folded -
assi (attr store1 < 1.24 and attr store1 > 1.14 )
     ((attr store1 < 1.488 and attr store1 > 1.428 ) and 
      (bondedto (attr store1 < 91.3150545657  and attr store1 > 90.5150545657 ) or 
       bondedto (attr store1 < 139.039163697  and attr store1 > 138.239163697) or 
       bondedto (attr store1 < 43.5909454343  and attr store1 > 42.7909454343 ))) 
6 0.1 0.1 peak 2675 volume 31.70975 ppm1 1.458 ppm2 1.190
 
! ############### c13noe.2676 folded +
assi (attr store1 < 4.34 and attr store1 > 4.24 )
     ((attr store1 < 4.068 and attr store1 > 4.008 ) and 
      (bondedto (attr store1 < 115.035109131  and attr store1 > 114.235109131 ) or 
       bondedto (attr store1 < 67.311  and attr store1 > 66.511 ) or 
       bondedto (attr store1 < 19.5868908686  and attr store1 > 18.7868908686 ))) 
6 0.1 0.1 peak 2676 volume 17.38128 ppm1 4.038 ppm2 4.290
 
! ############### c13noe.2677 folded +
assi (attr store1 < 4.74 and attr store1 > 4.64 )
     ((attr store1 < 4.064 and attr store1 > 4.004 ) and 
      (bondedto (attr store1 < 115.017109131  and attr store1 > 114.217109131 ) or 
       bondedto (attr store1 < 67.293  and attr store1 > 66.493 ) or 
       bondedto (attr store1 < 19.5688908686  and attr store1 > 18.7688908686 ))) 
6 0.1 0.1 peak 2677 volume 9.86235 ppm1 4.034 ppm2 4.690
 
! ############### c13noe.2678 folded +
assi (attr store1 < 7.348 and attr store1 > 7.248 )
     ((attr store1 < 3.532 and attr store1 > 3.472 ) and 
      (bondedto (attr store1 < 115.040109131  and attr store1 > 114.240109131 ) or 
       bondedto (attr store1 < 67.316  and attr store1 > 66.516 ) or 
       bondedto (attr store1 < 19.5918908686  and attr store1 > 18.7918908686 ))) 
6 0.1 0.1 peak 2678 volume 9.53171 ppm1 3.502 ppm2 7.298
 
! ############### c13noe.2679 folded +
assi (attr store1 < 3.3 and attr store1 > 3.2 )
     ((attr store1 < 1.745 and attr store1 > 1.685 ) and 
      (bondedto (attr store1 < 115.062109131  and attr store1 > 114.262109131 ) or 
       bondedto (attr store1 < 67.338  and attr store1 > 66.538 ) or 
       bondedto (attr store1 < 19.6138908686  and attr store1 > 18.8138908686 ))) 
6 0.1 0.1 peak 2679 volume 17.41415 ppm1 1.715 ppm2 3.250
 
! ############### c13noe.2680 folded +
assi (attr store1 < 7.971 and attr store1 > 7.871 )
     ((attr store1 < 4.068 and attr store1 > 4.008 ) and 
      (bondedto (attr store1 < 115.001109131  and attr store1 > 114.201109131 ) or 
       bondedto (attr store1 < 67.277  and attr store1 > 66.477 ) or 
       bondedto (attr store1 < 19.5528908686  and attr store1 > 18.7528908686 ))) 
6 0.1 0.1 peak 2680 volume 11.21648 ppm1 4.038 ppm2 7.921
 
! ############### c13noe.2681 folded +
assi (attr store1 < 3.526 and attr store1 > 3.426 )
     ((attr store1 < 4.067 and attr store1 > 4.007 ) and 
      (bondedto (attr store1 < 114.990109131  and attr store1 > 114.190109131 ) or 
       bondedto (attr store1 < 67.266  and attr store1 > 66.466 ) or 
       bondedto (attr store1 < 19.5418908686  and attr store1 > 18.7418908686 ))) 
6 0.1 0.1 peak 2681 volume 16.94899 ppm1 4.037 ppm2 3.476
 
! ############### c13noe.2682 folded +
assi (attr store1 < 1.368 and attr store1 > 1.268 )
     ((attr store1 < 4.068 and attr store1 > 4.008 ) and 
      (bondedto (attr store1 < 114.988109131  and attr store1 > 114.188109131 ) or 
       bondedto (attr store1 < 67.264  and attr store1 > 66.464 ) or 
       bondedto (attr store1 < 19.5398908686  and attr store1 > 18.7398908686 ))) 
6 0.1 0.1 peak 2682 volume 33.88647 ppm1 4.038 ppm2 1.318
 
! ############### c13noe.2683 folded +
assi (attr store1 < 8.487 and attr store1 > 8.387 )
     ((attr store1 < 4.066 and attr store1 > 4.006 ) and 
      (bondedto (attr store1 < 114.975109131  and attr store1 > 114.175109131 ) or 
       bondedto (attr store1 < 67.251  and attr store1 > 66.451 ) or 
       bondedto (attr store1 < 19.5268908686  and attr store1 > 18.7268908686 ))) 
6 0.1 0.1 peak 2683 volume 24.30003 ppm1 4.036 ppm2 8.437
 
! ############### c13noe.2684 folded +
assi (attr store1 < 2.376 and attr store1 > 2.276 )
     ((attr store1 < 3.529 and attr store1 > 3.469 ) and 
      (bondedto (attr store1 < 114.947109131  and attr store1 > 114.147109131 ) or 
       bondedto (attr store1 < 67.223  and attr store1 > 66.423 ) or 
       bondedto (attr store1 < 19.4988908686  and attr store1 > 18.6988908686 ))) 
6 0.1 0.1 peak 2684 volume 16.57189 ppm1 3.499 ppm2 2.326
 
! ############### c13noe.2685 folded +
assi (attr store1 < 1.173 and attr store1 > 1.073 )
     ((attr store1 < 3.531 and attr store1 > 3.471 ) and 
      (bondedto (attr store1 < 115.005109131  and attr store1 > 114.205109131 ) or 
       bondedto (attr store1 < 67.281  and attr store1 > 66.481 ) or 
       bondedto (attr store1 < 19.5568908686  and attr store1 > 18.7568908686 ))) 
6 0.1 0.1 peak 2685 volume 10.04982 ppm1 3.501 ppm2 1.123
 
! ############### c13noe.2686 folded +
assi (attr store1 < 1.576 and attr store1 > 1.476 )
     ((attr store1 < 3.524 and attr store1 > 3.464 ) and 
      (bondedto (attr store1 < 114.992109131  and attr store1 > 114.192109131 ) or 
       bondedto (attr store1 < 67.268  and attr store1 > 66.468 ) or 
       bondedto (attr store1 < 19.5438908686  and attr store1 > 18.7438908686 ))) 
6 0.1 0.1 peak 2686 volume 34.52505 ppm1 3.494 ppm2 1.526
 
! ############### c13noe.2687 folded +
assi (attr store1 < 1.089 and attr store1 > 0.989 )
     ((attr store1 < 3.528 and attr store1 > 3.468 ) and 
      (bondedto (attr store1 < 114.999109131  and attr store1 > 114.199109131 ) or 
       bondedto (attr store1 < 67.275  and attr store1 > 66.475 ) or 
       bondedto (attr store1 < 19.5508908686  and attr store1 > 18.7508908686 ))) 
6 0.1 0.1 peak 2687 volume 35.99985 ppm1 3.498 ppm2 1.039
 
! ############### c13noe.2688 folded +
assi (attr store1 < 0.829 and attr store1 > 0.729 )
     ((attr store1 < 3.525 and attr store1 > 3.465 ) and 
      (bondedto (attr store1 < 114.988109131  and attr store1 > 114.188109131 ) or 
       bondedto (attr store1 < 67.264  and attr store1 > 66.464 ) or 
       bondedto (attr store1 < 19.5398908686  and attr store1 > 18.7398908686 ))) 
6 0.1 0.1 peak 2688 volume 28.63652 ppm1 3.495 ppm2 0.779
 
! ############### c13noe.2689 folded +
assi (attr store1 < 1.952 and attr store1 > 1.852 )
     ((attr store1 < 1.752 and attr store1 > 1.692 ) and 
      (bondedto (attr store1 < 114.936109131  and attr store1 > 114.136109131 ) or 
       bondedto (attr store1 < 67.212  and attr store1 > 66.412 ) or 
       bondedto (attr store1 < 19.4878908686  and attr store1 > 18.6878908686 ))) 
6 0.1 0.1 peak 2689 volume 14.53770 ppm1 1.722 ppm2 1.902
 
! ############### c13noe.2690 folded -
assi (attr store1 < 1.742 and attr store1 > 1.642 )
     ((attr store1 < 3.177 and attr store1 > 3.117 ) and 
      (bondedto (attr store1 < 91.0870545657  and attr store1 > 90.2870545657 ) or 
       bondedto (attr store1 < 138.811163697  and attr store1 > 138.011163697) or 
       bondedto (attr store1 < 43.3629454343  and attr store1 > 42.5629454343 ))) 
6 0.1 0.1 peak 2690 volume 20.56975 ppm1 3.147 ppm2 1.692
 
! ############### c13noe.2691 folded -
assi (attr store1 < 2.334 and attr store1 > 2.234 )
     ((attr store1 < 3.173 and attr store1 > 3.113 ) and 
      (bondedto (attr store1 < 91.0940545657  and attr store1 > 90.2940545657 ) or 
       bondedto (attr store1 < 138.818163697  and attr store1 > 138.018163697) or 
       bondedto (attr store1 < 43.3699454343  and attr store1 > 42.5699454343 ))) 
6 0.1 0.1 peak 2691 volume 19.3269 ppm1 3.143 ppm2 2.284
 
! ############### c13noe.2692 folded -
assi (attr store1 < 2.095 and attr store1 > 1.995 )
     ((attr store1 < 3.173 and attr store1 > 3.113 ) and 
      (bondedto (attr store1 < 91.0820545657  and attr store1 > 90.2820545657 ) or 
       bondedto (attr store1 < 138.806163697  and attr store1 > 138.006163697) or 
       bondedto (attr store1 < 43.3579454343  and attr store1 > 42.5579454343 ))) 
6 0.1 0.1 peak 2692 volume 20.88554 ppm1 3.143 ppm2 2.045
 
! ############### c13noe.2693 folded -
assi (attr store1 < 2.257 and attr store1 > 2.157 )
     ((attr store1 < 3.169 and attr store1 > 3.109 ) and 
      (bondedto (attr store1 < 91.1030545657  and attr store1 > 90.3030545657 ) or 
       bondedto (attr store1 < 138.827163697  and attr store1 > 138.027163697) or 
       bondedto (attr store1 < 43.3789454343  and attr store1 > 42.5789454343 ))) 
6 0.1 0.1 peak 2693 volume 12.29497 ppm1 3.139 ppm2 2.207
 
! ############### c13noe.2694 folded -
assi (attr store1 < 1.606 and attr store1 > 1.506 )
     ((attr store1 < 3.168 and attr store1 > 3.108 ) and 
      (bondedto (attr store1 < 91.0970545657  and attr store1 > 90.2970545657 ) or 
       bondedto (attr store1 < 138.821163697  and attr store1 > 138.021163697) or 
       bondedto (attr store1 < 43.3729454343  and attr store1 > 42.5729454343 ))) 
6 0.1 0.1 peak 2694 volume 10.40569 ppm1 3.138 ppm2 1.556
 
! ############### c13noe.2695 folded -
assi (attr store1 < 1.512 and attr store1 > 1.412 )
     ((attr store1 < 3.169 and attr store1 > 3.109 ) and 
      (bondedto (attr store1 < 91.0890545657  and attr store1 > 90.2890545657 ) or 
       bondedto (attr store1 < 138.813163697  and attr store1 > 138.013163697) or 
       bondedto (attr store1 < 43.3649454343  and attr store1 > 42.5649454343 ))) 
6 0.1 0.1 peak 2695 volume 17.4576 ppm1 3.139 ppm2 1.462
 
! ############### c13noe.2696 folded -
assi (attr store1 < 0.808 and attr store1 > 0.708 )
     ((attr store1 < 3.169 and attr store1 > 3.109 ) and 
      (bondedto (attr store1 < 91.0760545657  and attr store1 > 90.2760545657 ) or 
       bondedto (attr store1 < 138.800163697  and attr store1 > 138.000163697) or 
       bondedto (attr store1 < 43.3519454343  and attr store1 > 42.5519454343 ))) 
6 0.1 0.1 peak 2696 volume 9.54823 ppm1 3.139 ppm2 0.758
 
! ############### c13noe.2697 folded -
assi (attr store1 < 1.744 and attr store1 > 1.644 )
     ((attr store1 < 3.145 and attr store1 > 3.085 ) and 
      (bondedto (attr store1 < 91.0630545657  and attr store1 > 90.2630545657 ) or 
       bondedto (attr store1 < 138.787163697  and attr store1 > 137.987163697) or 
       bondedto (attr store1 < 43.3389454343  and attr store1 > 42.5389454343 ))) 
6 0.1 0.1 peak 2697 volume 21.62175 ppm1 3.115 ppm2 1.694
 
! ############### c13noe.2698 folded -
assi (attr store1 < 0.805 and attr store1 > 0.705 )
     ((attr store1 < 3.146 and attr store1 > 3.086 ) and 
      (bondedto (attr store1 < 91.0850545657  and attr store1 > 90.2850545657 ) or 
       bondedto (attr store1 < 138.809163697  and attr store1 > 138.009163697) or 
       bondedto (attr store1 < 43.3609454343  and attr store1 > 42.5609454343 ))) 
6 0.1 0.1 peak 2698 volume 10.90994 ppm1 3.116 ppm2 0.755
 
! ############### c13noe.2699 folded -
assi (attr store1 < 2.078 and attr store1 > 1.978 )
     ((attr store1 < 3.142 and attr store1 > 3.082 ) and 
      (bondedto (attr store1 < 91.0850545657  and attr store1 > 90.2850545657 ) or 
       bondedto (attr store1 < 138.809163697  and attr store1 > 138.009163697) or 
       bondedto (attr store1 < 43.3609454343  and attr store1 > 42.5609454343 ))) 
6 0.1 0.1 peak 2699 volume 19.78784 ppm1 3.112 ppm2 2.028
 
! ############### c13noe.2700 folded -
assi (attr store1 < 1.861 and attr store1 > 1.761 )
     ((attr store1 < 3.143 and attr store1 > 3.083 ) and 
      (bondedto (attr store1 < 91.0790545657  and attr store1 > 90.2790545657 ) or 
       bondedto (attr store1 < 138.803163697  and attr store1 > 138.003163697) or 
       bondedto (attr store1 < 43.3549454343  and attr store1 > 42.5549454343 ))) 
6 0.1 0.1 peak 2700 volume 20.54609 ppm1 3.113 ppm2 1.811
 
! ############### c13noe.2701 folded -
assi (attr store1 < 1.509 and attr store1 > 1.409 )
     ((attr store1 < 3.142 and attr store1 > 3.082 ) and 
      (bondedto (attr store1 < 91.0810545657  and attr store1 > 90.2810545657 ) or 
       bondedto (attr store1 < 138.805163697  and attr store1 > 138.005163697) or 
       bondedto (attr store1 < 43.3569454343  and attr store1 > 42.5569454343 ))) 
6 0.1 0.1 peak 2701 volume 17.75306 ppm1 3.112 ppm2 1.459
 
! ############### c13noe.2702 folded +
assi (attr store1 < 1.901 and attr store1 > 1.801 )
     ((attr store1 < 3.561 and attr store1 > 3.501 ) and 
      (bondedto (attr store1 < 114.858109131  and attr store1 > 114.058109131 ) or 
       bondedto (attr store1 < 67.134  and attr store1 > 66.334 ) or 
       bondedto (attr store1 < 19.4098908686  and attr store1 > 18.6098908686 ))) 
6 0.1 0.1 peak 2702 volume 9.37442 ppm1 3.531 ppm2 1.851
 
! ############### c13noe.2703 folded +
assi (attr store1 < 0.937 and attr store1 > 0.837 )
     ((attr store1 < 3.525 and attr store1 > 3.465 ) and 
      (bondedto (attr store1 < 114.845109131  and attr store1 > 114.045109131 ) or 
       bondedto (attr store1 < 67.121  and attr store1 > 66.321 ) or 
       bondedto (attr store1 < 19.3968908686  and attr store1 > 18.5968908686 ))) 
6 0.1 0.1 peak 2703 volume 71.87080 ppm1 3.495 ppm2 0.887
 
! ############### c13noe.2704 folded +
assi (attr store1 < 2.106 and attr store1 > 2.006 )
     ((attr store1 < 3.523 and attr store1 > 3.463 ) and 
      (bondedto (attr store1 < 114.852109131  and attr store1 > 114.052109131 ) or 
       bondedto (attr store1 < 67.128  and attr store1 > 66.328 ) or 
       bondedto (attr store1 < 19.4038908686  and attr store1 > 18.6038908686 ))) 
6 0.1 0.1 peak 2704 volume 16.11426 ppm1 3.493 ppm2 2.056
 
! ############### c13noe.2705 folded +
assi (attr store1 < 1.709 and attr store1 > 1.609 )
     ((attr store1 < 3.52 and attr store1 > 3.46 ) and 
      (bondedto (attr store1 < 114.890109131  and attr store1 > 114.090109131 ) or 
       bondedto (attr store1 < 67.166  and attr store1 > 66.366 ) or 
       bondedto (attr store1 < 19.4418908686  and attr store1 > 18.6418908686 ))) 
6 0.1 0.1 peak 2705 volume 11.18899 ppm1 3.490 ppm2 1.659
 
! ############### c13noe.2706 folded +
assi (attr store1 < 1.461 and attr store1 > 1.361 )
     ((attr store1 < 3.521 and attr store1 > 3.461 ) and 
      (bondedto (attr store1 < 114.873109131  and attr store1 > 114.073109131 ) or 
       bondedto (attr store1 < 67.149  and attr store1 > 66.349 ) or 
       bondedto (attr store1 < 19.4248908686  and attr store1 > 18.6248908686 ))) 
6 0.1 0.1 peak 2706 volume 9.06203 ppm1 3.491 ppm2 1.411
 
! ############### c13noe.2707 folded +
assi (attr store1 < 8.028 and attr store1 > 7.928 )
     ((attr store1 < 3.511 and attr store1 > 3.451 ) and 
      (bondedto (attr store1 < 114.865109131  and attr store1 > 114.065109131 ) or 
       bondedto (attr store1 < 67.141  and attr store1 > 66.341 ) or 
       bondedto (attr store1 < 19.4168908686  and attr store1 > 18.6168908686 ))) 
6 0.1 0.1 peak 2707 volume 16.11140 ppm1 3.481 ppm2 7.978
 
! ############### c13noe.2708 folded +
assi (attr store1 < 1.572 and attr store1 > 1.472 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 114.846109131  and attr store1 > 114.046109131 ) or 
       bondedto (attr store1 < 67.122  and attr store1 > 66.322 ) or 
       bondedto (attr store1 < 19.3978908686  and attr store1 > 18.5978908686 ))) 
6 0.1 0.1 peak 2708 volume 9.17993 ppm1 0.888 ppm2 1.522
 
! ############### c13noe.2709 folded +
assi (attr store1 < 1.504 and attr store1 > 1.404 )
     ((attr store1 < 0.905 and attr store1 > 0.845 ) and 
      (bondedto (attr store1 < 114.875109131  and attr store1 > 114.075109131 ) or 
       bondedto (attr store1 < 67.151  and attr store1 > 66.351 ) or 
       bondedto (attr store1 < 19.4268908686  and attr store1 > 18.6268908686 ))) 
6 0.1 0.1 peak 2709 volume 16.01416 ppm1 0.875 ppm2 1.454
 
! ############### c13noe.2710 folded -
assi (attr store1 < 2.913 and attr store1 > 2.813 )
     ((attr store1 < 3.222 and attr store1 > 3.162 ) and 
      (bondedto (attr store1 < 90.9900545657  and attr store1 > 90.1900545657 ) or 
       bondedto (attr store1 < 138.714163697  and attr store1 > 137.914163697) or 
       bondedto (attr store1 < 43.2659454343  and attr store1 > 42.4659454343 ))) 
6 0.1 0.1 peak 2710 volume 52.09369 ppm1 3.192 ppm2 2.863
 
! ############### c13noe.2711 folded -
assi (attr store1 < 0.962 and attr store1 > 0.862 )
     ((attr store1 < 3.222 and attr store1 > 3.162 ) and 
      (bondedto (attr store1 < 90.9910545657  and attr store1 > 90.1910545657 ) or 
       bondedto (attr store1 < 138.715163697  and attr store1 > 137.915163697) or 
       bondedto (attr store1 < 43.2669454343  and attr store1 > 42.4669454343 ))) 
6 0.1 0.1 peak 2711 volume 30.54104 ppm1 3.192 ppm2 0.912
 
! ############### c13noe.2712 folded -
assi (attr store1 < 1.913 and attr store1 > 1.813 )
     ((attr store1 < 3.218 and attr store1 > 3.158 ) and 
      (bondedto (attr store1 < 91.0010545657  and attr store1 > 90.2010545657 ) or 
       bondedto (attr store1 < 138.725163697  and attr store1 > 137.925163697) or 
       bondedto (attr store1 < 43.2769454343  and attr store1 > 42.4769454343 ))) 
6 0.1 0.1 peak 2712 volume 19.94464 ppm1 3.188 ppm2 1.863
 
! ############### c13noe.2713 folded -
assi (attr store1 < 1.586 and attr store1 > 1.486 )
     ((attr store1 < 3.218 and attr store1 > 3.158 ) and 
      (bondedto (attr store1 < 90.9950545657  and attr store1 > 90.1950545657 ) or 
       bondedto (attr store1 < 138.719163697  and attr store1 > 137.919163697) or 
       bondedto (attr store1 < 43.2709454343  and attr store1 > 42.4709454343 ))) 
6 0.1 0.1 peak 2713 volume 12.30824 ppm1 3.188 ppm2 1.536
 
! ############### c13noe.2714 folded -
assi (attr store1 < 0.965 and attr store1 > 0.865 )
     ((attr store1 < 2.895 and attr store1 > 2.835 ) and 
      (bondedto (attr store1 < 91.0000545657  and attr store1 > 90.2000545657 ) or 
       bondedto (attr store1 < 138.724163697  and attr store1 > 137.924163697) or 
       bondedto (attr store1 < 43.2759454343  and attr store1 > 42.4759454343 ))) 
6 0.1 0.1 peak 2714 volume 31.05156 ppm1 2.865 ppm2 0.915
 
! ############### c13noe.2715 folded -
assi (attr store1 < 3.24 and attr store1 > 3.14 )
     ((attr store1 < 2.889 and attr store1 > 2.829 ) and 
      (bondedto (attr store1 < 91.0060545657  and attr store1 > 90.2060545657 ) or 
       bondedto (attr store1 < 138.730163697  and attr store1 > 137.930163697) or 
       bondedto (attr store1 < 43.2819454343  and attr store1 > 42.4819454343 ))) 
6 0.1 0.1 peak 2715 volume 50.41953 ppm1 2.859 ppm2 3.190
 
! ############### c13noe.2716 folded -
assi (attr store1 < 1.918 and attr store1 > 1.818 )
     ((attr store1 < 2.891 and attr store1 > 2.831 ) and 
      (bondedto (attr store1 < 90.9900545657  and attr store1 > 90.1900545657 ) or 
       bondedto (attr store1 < 138.714163697  and attr store1 > 137.914163697) or 
       bondedto (attr store1 < 43.2659454343  and attr store1 > 42.4659454343 ))) 
6 0.1 0.1 peak 2716 volume 15.11169 ppm1 2.861 ppm2 1.868
 
! ############### c13noe.2717 folded -
assi (attr store1 < 7.542 and attr store1 > 7.442 )
     ((attr store1 < 2.086 and attr store1 > 2.026 ) and 
      (bondedto (attr store1 < 91.0130545657  and attr store1 > 90.2130545657 ) or 
       bondedto (attr store1 < 138.737163697  and attr store1 > 137.937163697) or 
       bondedto (attr store1 < 43.2889454343  and attr store1 > 42.4889454343 ))) 
6 0.1 0.1 peak 2717 volume 13.04418 ppm1 2.056 ppm2 7.492
 
! ############### c13noe.2718 folded +
assi (attr store1 < 0.94 and attr store1 > 0.84 )
     ((attr store1 < 3.95 and attr store1 > 3.89 ) and 
      (bondedto (attr store1 < 114.760109131  and attr store1 > 113.960109131 ) or 
       bondedto (attr store1 < 67.036  and attr store1 > 66.236 ) or 
       bondedto (attr store1 < 19.3118908686  and attr store1 > 18.5118908686 ))) 
6 0.1 0.1 peak 2718 volume 8.35317 ppm1 3.920 ppm2 0.890
 
! ############### c13noe.2719 folded +
assi (attr store1 < 2.306 and attr store1 > 2.206 )
     ((attr store1 < 3.618 and attr store1 > 3.558 ) and 
      (bondedto (attr store1 < 114.746109131  and attr store1 > 113.946109131 ) or 
       bondedto (attr store1 < 67.022  and attr store1 > 66.222 ) or 
       bondedto (attr store1 < 19.2978908686  and attr store1 > 18.4978908686 ))) 
6 0.1 0.1 peak 2719 volume 13.71838 ppm1 3.588 ppm2 2.256
 
! ############### c13noe.2720 folded +
assi (attr store1 < 8.265 and attr store1 > 8.165 )
     ((attr store1 < 3.615 and attr store1 > 3.555 ) and 
      (bondedto (attr store1 < 114.749109131  and attr store1 > 113.949109131 ) or 
       bondedto (attr store1 < 67.025  and attr store1 > 66.225 ) or 
       bondedto (attr store1 < 19.3008908686  and attr store1 > 18.5008908686 ))) 
6 0.1 0.1 peak 2720 volume 10.50395 ppm1 3.585 ppm2 8.215
 
! ############### c13noe.2721 folded +
assi (attr store1 < 2.367 and attr store1 > 2.267 )
     ((attr store1 < 3.613 and attr store1 > 3.553 ) and 
      (bondedto (attr store1 < 114.751109131  and attr store1 > 113.951109131 ) or 
       bondedto (attr store1 < 67.027  and attr store1 > 66.227 ) or 
       bondedto (attr store1 < 19.3028908686  and attr store1 > 18.5028908686 ))) 
6 0.1 0.1 peak 2721 volume 16.14467 ppm1 3.583 ppm2 2.317
 
! ############### c13noe.2722 folded +
assi (attr store1 < 1.068 and attr store1 > 0.968 )
     ((attr store1 < 3.612 and attr store1 > 3.552 ) and 
      (bondedto (attr store1 < 114.759109131  and attr store1 > 113.959109131 ) or 
       bondedto (attr store1 < 67.035  and attr store1 > 66.235 ) or 
       bondedto (attr store1 < 19.3108908686  and attr store1 > 18.5108908686 ))) 
6 0.1 0.1 peak 2722 volume 42.04526 ppm1 3.582 ppm2 1.018
 
! ############### c13noe.2723 folded +
assi (attr store1 < 0.945 and attr store1 > 0.845 )
     ((attr store1 < 3.606 and attr store1 > 3.546 ) and 
      (bondedto (attr store1 < 114.756109131  and attr store1 > 113.956109131 ) or 
       bondedto (attr store1 < 67.032  and attr store1 > 66.232 ) or 
       bondedto (attr store1 < 19.3078908686  and attr store1 > 18.5078908686 ))) 
6 0.1 0.1 peak 2723 volume 47.39666 ppm1 3.576 ppm2 0.895
 
! ############### c13noe.2724 folded +
assi (attr store1 < 4.191 and attr store1 > 4.091 )
     ((attr store1 < 3.566 and attr store1 > 3.506 ) and 
      (bondedto (attr store1 < 114.803109131  and attr store1 > 114.003109131 ) or 
       bondedto (attr store1 < 67.079  and attr store1 > 66.279 ) or 
       bondedto (attr store1 < 19.3548908686  and attr store1 > 18.5548908686 ))) 
6 0.1 0.1 peak 2724 volume 7.87799 ppm1 3.536 ppm2 4.141
 
! ############### c13noe.2725 folded +
assi (attr store1 < 1.884 and attr store1 > 1.784 )
     ((attr store1 < 3.564 and attr store1 > 3.504 ) and 
      (bondedto (attr store1 < 114.797109131  and attr store1 > 113.997109131 ) or 
       bondedto (attr store1 < 67.073  and attr store1 > 66.273 ) or 
       bondedto (attr store1 < 19.3488908686  and attr store1 > 18.5488908686 ))) 
6 0.1 0.1 peak 2725 volume 9.49843 ppm1 3.534 ppm2 1.834
 
! ############### c13noe.2726 folded +
assi (attr store1 < 0.973 and attr store1 > 0.873 )
     ((attr store1 < 3.563 and attr store1 > 3.503 ) and 
      (bondedto (attr store1 < 114.798109131  and attr store1 > 113.998109131 ) or 
       bondedto (attr store1 < 67.074  and attr store1 > 66.274 ) or 
       bondedto (attr store1 < 19.3498908686  and attr store1 > 18.5498908686 ))) 
6 0.1 0.1 peak 2726 volume 53.64934 ppm1 3.533 ppm2 0.923
 
! ############### c13noe.2727 folded +
assi (attr store1 < 2.103 and attr store1 > 2.003 )
     ((attr store1 < 3.553 and attr store1 > 3.493 ) and 
      (bondedto (attr store1 < 114.812109131  and attr store1 > 114.012109131 ) or 
       bondedto (attr store1 < 67.088  and attr store1 > 66.288 ) or 
       bondedto (attr store1 < 19.3638908686  and attr store1 > 18.5638908686 ))) 
6 0.1 0.1 peak 2727 volume 11.63762 ppm1 3.523 ppm2 2.053
 
! ############### c13noe.2728 folded +
assi (attr store1 < 1.248 and attr store1 > 1.148 )
     ((attr store1 < 1.482 and attr store1 > 1.422 ) and 
      (bondedto (attr store1 < 114.759109131  and attr store1 > 113.959109131 ) or 
       bondedto (attr store1 < 67.035  and attr store1 > 66.235 ) or 
       bondedto (attr store1 < 19.3108908686  and attr store1 > 18.5108908686 ))) 
6 0.1 0.1 peak 2728 volume 68.98319 ppm1 1.452 ppm2 1.198
 
! ############### c13noe.2729 folded +
assi (attr store1 < 1.504 and attr store1 > 1.404 )
     ((attr store1 < 1.22 and attr store1 > 1.16 ) and 
      (bondedto (attr store1 < 114.750109131  and attr store1 > 113.950109131 ) or 
       bondedto (attr store1 < 67.026  and attr store1 > 66.226 ) or 
       bondedto (attr store1 < 19.3018908686  and attr store1 > 18.5018908686 ))) 
6 0.1 0.1 peak 2729 volume 68.66698 ppm1 1.190 ppm2 1.454
 
! ############### c13noe.2730 folded -
assi (attr store1 < 3.882 and attr store1 > 3.782 )
     ((attr store1 < 3.697 and attr store1 > 3.637 ) and 
      (bondedto (attr store1 < 90.9230545657  and attr store1 > 90.1230545657 ) or 
       bondedto (attr store1 < 138.647163697  and attr store1 > 137.847163697) or 
       bondedto (attr store1 < 43.1989454343  and attr store1 > 42.3989454343 ))) 
6 0.1 0.1 peak 2730 volume 24.693 ppm1 3.667 ppm2 3.832
 
! ############### c13noe.2731 folded -
assi (attr store1 < 1.584 and attr store1 > 1.484 )
     ((attr store1 < 2.892 and attr store1 > 2.832 ) and 
      (bondedto (attr store1 < 90.9530545657  and attr store1 > 90.1530545657 ) or 
       bondedto (attr store1 < 138.677163697  and attr store1 > 137.877163697) or 
       bondedto (attr store1 < 43.2289454343  and attr store1 > 42.4289454343 ))) 
6 0.1 0.1 peak 2731 volume 11.58963 ppm1 2.862 ppm2 1.534
 
! ############### c13noe.2732 folded -
assi (attr store1 < 0.999 and attr store1 > 0.899 )
     ((attr store1 < 2.1 and attr store1 > 2.04 ) and 
      (bondedto (attr store1 < 90.9370545657  and attr store1 > 90.1370545657 ) or 
       bondedto (attr store1 < 138.661163697  and attr store1 > 137.861163697) or 
       bondedto (attr store1 < 43.2129454343  and attr store1 > 42.4129454343 ))) 
6 0.1 0.1 peak 2732 volume 7.12239 ppm1 2.070 ppm2 0.949
 
! ############### c13noe.2733 folded -
assi (attr store1 < 7.587 and attr store1 > 7.487 )
     ((attr store1 < 2.087 and attr store1 > 2.027 ) and 
      (bondedto (attr store1 < 90.9120545657  and attr store1 > 90.1120545657 ) or 
       bondedto (attr store1 < 138.636163697  and attr store1 > 137.836163697) or 
       bondedto (attr store1 < 43.1879454343  and attr store1 > 42.3879454343 ))) 
6 0.1 0.1 peak 2733 volume 17.60285 ppm1 2.057 ppm2 7.537
 
! ############### c13noe.2734 folded -
assi (attr store1 < 4.109 and attr store1 > 4.009 )
     ((attr store1 < 2.087 and attr store1 > 2.027 ) and 
      (bondedto (attr store1 < 90.8920545657  and attr store1 > 90.0920545657 ) or 
       bondedto (attr store1 < 138.616163697  and attr store1 > 137.816163697) or 
       bondedto (attr store1 < 43.1679454343  and attr store1 > 42.3679454343 ))) 
6 0.1 0.1 peak 2734 volume 9.85933 ppm1 2.057 ppm2 4.059
 
! ############### c13noe.2735 folded -
assi (attr store1 < 1.121 and attr store1 > 1.021 )
     ((attr store1 < 2.086 and attr store1 > 2.026 ) and 
      (bondedto (attr store1 < 90.8840545657  and attr store1 > 90.0840545657 ) or 
       bondedto (attr store1 < 138.608163697  and attr store1 > 137.808163697) or 
       bondedto (attr store1 < 43.1599454343  and attr store1 > 42.3599454343 ))) 
6 0.1 0.1 peak 2735 volume 12.44814 ppm1 2.056 ppm2 1.071
 
! ############### c13noe.2736 folded -
assi (attr store1 < 7.599 and attr store1 > 7.499 )
     ((attr store1 < 1.69 and attr store1 > 1.63 ) and 
      (bondedto (attr store1 < 90.9160545657  and attr store1 > 90.1160545657 ) or 
       bondedto (attr store1 < 138.640163697  and attr store1 > 137.840163697) or 
       bondedto (attr store1 < 43.1919454343  and attr store1 > 42.3919454343 ))) 
6 0.1 0.1 peak 2736 volume 13.51523 ppm1 1.660 ppm2 7.549
 
! ############### c13noe.2737 folded -
assi (attr store1 < 2.108 and attr store1 > 2.008 )
     ((attr store1 < 1.684 and attr store1 > 1.624 ) and 
      (bondedto (attr store1 < 90.9380545657  and attr store1 > 90.1380545657 ) or 
       bondedto (attr store1 < 138.662163697  and attr store1 > 137.862163697) or 
       bondedto (attr store1 < 43.2139454343  and attr store1 > 42.4139454343 ))) 
6 0.1 0.1 peak 2737 volume 21.92088 ppm1 1.654 ppm2 2.058
 
! ############### c13noe.2738 folded +
assi (attr store1 < 8.094 and attr store1 > 7.994 )
     ((attr store1 < 3.953 and attr store1 > 3.893 ) and 
      (bondedto (attr store1 < 114.710109131  and attr store1 > 113.910109131 ) or 
       bondedto (attr store1 < 66.986  and attr store1 > 66.186 ) or 
       bondedto (attr store1 < 19.2618908686  and attr store1 > 18.4618908686 ))) 
6 0.1 0.1 peak 2738 volume 17.19693 ppm1 3.923 ppm2 8.044
 
! ############### c13noe.2739 folded +
assi (attr store1 < 8.496 and attr store1 > 8.396 )
     ((attr store1 < 3.95 and attr store1 > 3.89 ) and 
      (bondedto (attr store1 < 114.686109131  and attr store1 > 113.886109131 ) or 
       bondedto (attr store1 < 66.962  and attr store1 > 66.162 ) or 
       bondedto (attr store1 < 19.2378908686  and attr store1 > 18.4378908686 ))) 
6 0.1 0.1 peak 2739 volume 7.58945 ppm1 3.920 ppm2 8.446
 
! ############### c13noe.2740 folded +
assi (attr store1 < 1.611 and attr store1 > 1.511 )
     ((attr store1 < 3.949 and attr store1 > 3.889 ) and 
      (bondedto (attr store1 < 114.702109131  and attr store1 > 113.902109131 ) or 
       bondedto (attr store1 < 66.978  and attr store1 > 66.178 ) or 
       bondedto (attr store1 < 19.2538908686  and attr store1 > 18.4538908686 ))) 
6 0.1 0.1 peak 2740 volume 32.01224 ppm1 3.919 ppm2 1.561
 
! ############### c13noe.2741 folded +
assi (attr store1 < 1.287 and attr store1 > 1.187 )
     ((attr store1 < 3.948 and attr store1 > 3.888 ) and 
      (bondedto (attr store1 < 114.703109131  and attr store1 > 113.903109131 ) or 
       bondedto (attr store1 < 66.979  and attr store1 > 66.179 ) or 
       bondedto (attr store1 < 19.2548908686  and attr store1 > 18.4548908686 ))) 
6 0.1 0.1 peak 2741 volume 43.88359 ppm1 3.918 ppm2 1.237
 
! ############### c13noe.2742 folded +
assi (attr store1 < 1.078 and attr store1 > 0.978 )
     ((attr store1 < 3.812 and attr store1 > 3.752 ) and 
      (bondedto (attr store1 < 114.669109131  and attr store1 > 113.869109131 ) or 
       bondedto (attr store1 < 66.945  and attr store1 > 66.145 ) or 
       bondedto (attr store1 < 19.2208908686  and attr store1 > 18.4208908686 ))) 
6 0.1 0.1 peak 2742 volume 9.65142 ppm1 3.782 ppm2 1.028
 
! ############### c13noe.2743 folded +
assi (attr store1 < 0.838 and attr store1 > 0.738 )
     ((attr store1 < 3.61 and attr store1 > 3.55 ) and 
      (bondedto (attr store1 < 114.659109131  and attr store1 > 113.859109131 ) or 
       bondedto (attr store1 < 66.935  and attr store1 > 66.135 ) or 
       bondedto (attr store1 < 19.2108908686  and attr store1 > 18.4108908686 ))) 
6 0.1 0.1 peak 2743 volume 13.37576 ppm1 3.580 ppm2 0.788
 
! ############### c13noe.2744 folded +
assi (attr store1 < 2.006 and attr store1 > 1.906 )
     ((attr store1 < 2.34 and attr store1 > 2.28 ) and 
      (bondedto (attr store1 < 114.718109131  and attr store1 > 113.918109131 ) or 
       bondedto (attr store1 < 66.994  and attr store1 > 66.194 ) or 
       bondedto (attr store1 < 19.2698908686  and attr store1 > 18.4698908686 ))) 
6 0.1 0.1 peak 2744 volume 26.32164 ppm1 2.310 ppm2 1.956
 
! ############### c13noe.2745 folded +
assi (attr store1 < 2.368 and attr store1 > 2.268 )
     ((attr store1 < 2.005 and attr store1 > 1.945 ) and 
      (bondedto (attr store1 < 114.726109131  and attr store1 > 113.926109131 ) or 
       bondedto (attr store1 < 67.002  and attr store1 > 66.202 ) or 
       bondedto (attr store1 < 19.2778908686  and attr store1 > 18.4778908686 ))) 
6 0.1 0.1 peak 2745 volume 20.25485 ppm1 1.975 ppm2 2.318
 
! ############### c13noe.2746 folded +
assi (attr store1 < 2.361 and attr store1 > 2.261 )
     ((attr store1 < 1.972 and attr store1 > 1.912 ) and 
      (bondedto (attr store1 < 114.702109131  and attr store1 > 113.902109131 ) or 
       bondedto (attr store1 < 66.978  and attr store1 > 66.178 ) or 
       bondedto (attr store1 < 19.2538908686  and attr store1 > 18.4538908686 ))) 
6 0.1 0.1 peak 2746 volume 24.56330 ppm1 1.942 ppm2 2.311
 
! ############### c13noe.2747 folded +
assi (attr store1 < 4.277 and attr store1 > 4.177 )
     ((attr store1 < 1.56 and attr store1 > 1.5 ) and 
      (bondedto (attr store1 < 114.658109131  and attr store1 > 113.858109131 ) or 
       bondedto (attr store1 < 66.934  and attr store1 > 66.134 ) or 
       bondedto (attr store1 < 19.2098908686  and attr store1 > 18.4098908686 ))) 
6 0.1 0.1 peak 2747 volume 10.26928 ppm1 1.530 ppm2 4.227
 
! ############### c13noe.2748 folded +
assi (attr store1 < 8.224 and attr store1 > 8.124 )
     ((attr store1 < 3.817 and attr store1 > 3.757 ) and 
      (bondedto (attr store1 < 114.636109131  and attr store1 > 113.836109131 ) or 
       bondedto (attr store1 < 66.912  and attr store1 > 66.112 ) or 
       bondedto (attr store1 < 19.1878908686  and attr store1 > 18.3878908686 ))) 
6 0.1 0.1 peak 2748 volume 24.73153 ppm1 3.787 ppm2 8.174
 
! ############### c13noe.2749 folded +
assi (attr store1 < 1.166 and attr store1 > 1.066 )
     ((attr store1 < 3.815 and attr store1 > 3.755 ) and 
      (bondedto (attr store1 < 114.635109131  and attr store1 > 113.835109131 ) or 
       bondedto (attr store1 < 66.911  and attr store1 > 66.111 ) or 
       bondedto (attr store1 < 19.1868908686  and attr store1 > 18.3868908686 ))) 
6 0.1 0.1 peak 2749 volume 50.04676 ppm1 3.785 ppm2 1.116
 
! ############### c13noe.2750 folded +
assi (attr store1 < 0.987 and attr store1 > 0.887 )
     ((attr store1 < 3.817 and attr store1 > 3.757 ) and 
      (bondedto (attr store1 < 114.618109131  and attr store1 > 113.818109131 ) or 
       bondedto (attr store1 < 66.894  and attr store1 > 66.094 ) or 
       bondedto (attr store1 < 19.1698908686  and attr store1 > 18.3698908686 ))) 
6 0.1 0.1 peak 2750 volume 38.48104 ppm1 3.787 ppm2 0.937
 
! ############### c13noe.2751 folded +
assi (attr store1 < 2.344 and attr store1 > 2.244 )
     ((attr store1 < 3.813 and attr store1 > 3.753 ) and 
      (bondedto (attr store1 < 114.605109131  and attr store1 > 113.805109131 ) or 
       bondedto (attr store1 < 66.881  and attr store1 > 66.081 ) or 
       bondedto (attr store1 < 19.1568908686  and attr store1 > 18.3568908686 ))) 
6 0.1 0.1 peak 2751 volume 30.17625 ppm1 3.783 ppm2 2.294
 
! ############### c13noe.2752 folded +
assi (attr store1 < 2.273 and attr store1 > 2.173 )
     ((attr store1 < 3.812 and attr store1 > 3.752 ) and 
      (bondedto (attr store1 < 114.578109131  and attr store1 > 113.778109131 ) or 
       bondedto (attr store1 < 66.854  and attr store1 > 66.054 ) or 
       bondedto (attr store1 < 19.1298908686  and attr store1 > 18.3298908686 ))) 
6 0.1 0.1 peak 2752 volume 15.26158 ppm1 3.782 ppm2 2.223
 
! ############### c13noe.2753 folded +
assi (attr store1 < 1.044 and attr store1 > 0.944 )
     ((attr store1 < 3.801 and attr store1 > 3.741 ) and 
      (bondedto (attr store1 < 114.598109131  and attr store1 > 113.798109131 ) or 
       bondedto (attr store1 < 66.874  and attr store1 > 66.074 ) or 
       bondedto (attr store1 < 19.1498908686  and attr store1 > 18.3498908686 ))) 
6 0.1 0.1 peak 2753 volume 7.88652 ppm1 3.771 ppm2 0.994
 
! ############### c13noe.2754 folded +
assi (attr store1 < 1.933 and attr store1 > 1.833 )
     ((attr store1 < 3.598 and attr store1 > 3.538 ) and 
      (bondedto (attr store1 < 114.575109131  and attr store1 > 113.775109131 ) or 
       bondedto (attr store1 < 66.851  and attr store1 > 66.051 ) or 
       bondedto (attr store1 < 19.1268908686  and attr store1 > 18.3268908686 ))) 
6 0.1 0.1 peak 2754 volume 7.38557 ppm1 3.568 ppm2 1.883
 
! ############### c13noe.2755 folded +
assi (attr store1 < 3.303 and attr store1 > 3.203 )
     ((attr store1 < 3.345 and attr store1 > 3.285 ) and 
      (bondedto (attr store1 < 114.634109131  and attr store1 > 113.834109131 ) or 
       bondedto (attr store1 < 66.91  and attr store1 > 66.11 ) or 
       bondedto (attr store1 < 19.1858908686  and attr store1 > 18.3858908686 ))) 
6 0.1 0.1 peak 2755 volume 45.89247 ppm1 3.315 ppm2 3.253
 
! ############### c13noe.2756 folded +
assi (attr store1 < 3.615 and attr store1 > 3.515 )
     ((attr store1 < 1.678 and attr store1 > 1.618 ) and 
      (bondedto (attr store1 < 114.602109131  and attr store1 > 113.802109131 ) or 
       bondedto (attr store1 < 66.878  and attr store1 > 66.078 ) or 
       bondedto (attr store1 < 19.1538908686  and attr store1 > 18.3538908686 ))) 
6 0.1 0.1 peak 2756 volume 12.33251 ppm1 1.648 ppm2 3.565
 
! ############### c13noe.2757 folded +
assi (attr store1 < 1.166 and attr store1 > 1.066 )
     ((attr store1 < 1.678 and attr store1 > 1.618 ) and 
      (bondedto (attr store1 < 114.586109131  and attr store1 > 113.786109131 ) or 
       bondedto (attr store1 < 66.862  and attr store1 > 66.062 ) or 
       bondedto (attr store1 < 19.1378908686  and attr store1 > 18.3378908686 ))) 
6 0.1 0.1 peak 2757 volume 17.38698 ppm1 1.648 ppm2 1.116
 
! ############### c13noe.2758 folded +
assi (attr store1 < 8.349 and attr store1 > 8.249 )
     ((attr store1 < 1.674 and attr store1 > 1.614 ) and 
      (bondedto (attr store1 < 114.599109131  and attr store1 > 113.799109131 ) or 
       bondedto (attr store1 < 66.875  and attr store1 > 66.075 ) or 
       bondedto (attr store1 < 19.1508908686  and attr store1 > 18.3508908686 ))) 
6 0.1 0.1 peak 2758 volume 9.05278 ppm1 1.644 ppm2 8.299
 
! ############### c13noe.2759 folded +
assi (attr store1 < 7.85 and attr store1 > 7.75 )
     ((attr store1 < 1.677 and attr store1 > 1.617 ) and 
      (bondedto (attr store1 < 114.619109131  and attr store1 > 113.819109131 ) or 
       bondedto (attr store1 < 66.895  and attr store1 > 66.095 ) or 
       bondedto (attr store1 < 19.1708908686  and attr store1 > 18.3708908686 ))) 
6 0.1 0.1 peak 2759 volume 30.51926 ppm1 1.647 ppm2 7.800
 
! ############### c13noe.2760 folded +
assi (attr store1 < 4.281 and attr store1 > 4.181 )
     ((attr store1 < 1.675 and attr store1 > 1.615 ) and 
      (bondedto (attr store1 < 114.614109131  and attr store1 > 113.814109131 ) or 
       bondedto (attr store1 < 66.89  and attr store1 > 66.09 ) or 
       bondedto (attr store1 < 19.1658908686  and attr store1 > 18.3658908686 ))) 
6 0.1 0.1 peak 2760 volume 33.85468 ppm1 1.645 ppm2 4.231
 
! ############### c13noe.2761 folded +
assi (attr store1 < 0.987 and attr store1 > 0.887 )
     ((attr store1 < 1.675 and attr store1 > 1.615 ) and 
      (bondedto (attr store1 < 114.597109131  and attr store1 > 113.797109131 ) or 
       bondedto (attr store1 < 66.873  and attr store1 > 66.073 ) or 
       bondedto (attr store1 < 19.1488908686  and attr store1 > 18.3488908686 ))) 
6 0.1 0.1 peak 2761 volume 45.52052 ppm1 1.645 ppm2 0.937
 
! ############### c13noe.2762 folded +
assi (attr store1 < 0.827 and attr store1 > 0.727 )
     ((attr store1 < 1.673 and attr store1 > 1.613 ) and 
      (bondedto (attr store1 < 114.620109131  and attr store1 > 113.820109131 ) or 
       bondedto (attr store1 < 66.896  and attr store1 > 66.096 ) or 
       bondedto (attr store1 < 19.1718908686  and attr store1 > 18.3718908686 ))) 
6 0.1 0.1 peak 2762 volume 9.10617 ppm1 1.643 ppm2 0.777
 
! ############### c13noe.2763 folded +
assi (attr store1 < 4.068 and attr store1 > 3.968 )
     ((attr store1 < 1.671 and attr store1 > 1.611 ) and 
      (bondedto (attr store1 < 114.550109131  and attr store1 > 113.750109131 ) or 
       bondedto (attr store1 < 66.826  and attr store1 > 66.026 ) or 
       bondedto (attr store1 < 19.1018908686  and attr store1 > 18.3018908686 ))) 
6 0.1 0.1 peak 2763 volume 11.77667 ppm1 1.641 ppm2 4.018
 
! ############### c13noe.2764 folded +
assi (attr store1 < 7.855 and attr store1 > 7.755 )
     ((attr store1 < 1.625 and attr store1 > 1.565 ) and 
      (bondedto (attr store1 < 114.608109131  and attr store1 > 113.808109131 ) or 
       bondedto (attr store1 < 66.884  and attr store1 > 66.084 ) or 
       bondedto (attr store1 < 19.1598908686  and attr store1 > 18.3598908686 ))) 
6 0.1 0.1 peak 2764 volume 29.45894 ppm1 1.595 ppm2 7.805
 
! ############### c13noe.2765 folded +
assi (attr store1 < 4.283 and attr store1 > 4.183 )
     ((attr store1 < 1.623 and attr store1 > 1.563 ) and 
      (bondedto (attr store1 < 114.614109131  and attr store1 > 113.814109131 ) or 
       bondedto (attr store1 < 66.89  and attr store1 > 66.09 ) or 
       bondedto (attr store1 < 19.1658908686  and attr store1 > 18.3658908686 ))) 
6 0.1 0.1 peak 2765 volume 37.14070 ppm1 1.593 ppm2 4.233
 
! ############### c13noe.2766 folded +
assi (attr store1 < 4.065 and attr store1 > 3.965 )
     ((attr store1 < 1.623 and attr store1 > 1.563 ) and 
      (bondedto (attr store1 < 114.584109131  and attr store1 > 113.784109131 ) or 
       bondedto (attr store1 < 66.86  and attr store1 > 66.06 ) or 
       bondedto (attr store1 < 19.1358908686  and attr store1 > 18.3358908686 ))) 
6 0.1 0.1 peak 2766 volume 17.31350 ppm1 1.593 ppm2 4.015
 
! ############### c13noe.2767 folded +
assi (attr store1 < 3.622 and attr store1 > 3.522 )
     ((attr store1 < 1.624 and attr store1 > 1.564 ) and 
      (bondedto (attr store1 < 114.589109131  and attr store1 > 113.789109131 ) or 
       bondedto (attr store1 < 66.865  and attr store1 > 66.065 ) or 
       bondedto (attr store1 < 19.1408908686  and attr store1 > 18.3408908686 ))) 
6 0.1 0.1 peak 2767 volume 10.71797 ppm1 1.594 ppm2 3.572
 
! ############### c13noe.2768 folded +
assi (attr store1 < 1.162 and attr store1 > 1.062 )
     ((attr store1 < 1.623 and attr store1 > 1.563 ) and 
      (bondedto (attr store1 < 114.587109131  and attr store1 > 113.787109131 ) or 
       bondedto (attr store1 < 66.863  and attr store1 > 66.063 ) or 
       bondedto (attr store1 < 19.1388908686  and attr store1 > 18.3388908686 ))) 
6 0.1 0.1 peak 2768 volume 20.82331 ppm1 1.593 ppm2 1.112
 
! ############### c13noe.2769 folded +
assi (attr store1 < 0.992 and attr store1 > 0.892 )
     ((attr store1 < 1.619 and attr store1 > 1.559 ) and 
      (bondedto (attr store1 < 114.586109131  and attr store1 > 113.786109131 ) or 
       bondedto (attr store1 < 66.862  and attr store1 > 66.062 ) or 
       bondedto (attr store1 < 19.1378908686  and attr store1 > 18.3378908686 ))) 
6 0.1 0.1 peak 2769 volume 56.09183 ppm1 1.589 ppm2 0.942
 
! ############### c13noe.2770 folded +
assi (attr store1 < 8.563 and attr store1 > 8.463 )
     ((attr store1 < 1.586 and attr store1 > 1.526 ) and 
      (bondedto (attr store1 < 114.564109131  and attr store1 > 113.764109131 ) or 
       bondedto (attr store1 < 66.84  and attr store1 > 66.04 ) or 
       bondedto (attr store1 < 19.1158908686  and attr store1 > 18.3158908686 ))) 
6 0.1 0.1 peak 2770 volume 27.06295 ppm1 1.556 ppm2 8.513
 
! ############### c13noe.2771 folded +
assi (attr store1 < 4.088 and attr store1 > 3.988 )
     ((attr store1 < 1.551 and attr store1 > 1.491 ) and 
      (bondedto (attr store1 < 114.555109131  and attr store1 > 113.755109131 ) or 
       bondedto (attr store1 < 66.831  and attr store1 > 66.031 ) or 
       bondedto (attr store1 < 19.1068908686  and attr store1 > 18.3068908686 ))) 
6 0.1 0.1 peak 2771 volume 27.18448 ppm1 1.521 ppm2 4.038
 
! ############### c13noe.2772 folded +
assi (attr store1 < 3.981 and attr store1 > 3.881 )
     ((attr store1 < 1.534 and attr store1 > 1.474 ) and 
      (bondedto (attr store1 < 114.579109131  and attr store1 > 113.779109131 ) or 
       bondedto (attr store1 < 66.855  and attr store1 > 66.055 ) or 
       bondedto (attr store1 < 19.1308908686  and attr store1 > 18.3308908686 ))) 
6 0.1 0.1 peak 2772 volume 14.78318 ppm1 1.504 ppm2 3.931
 
! ############### c13noe.2773 folded -
assi (attr store1 < 1.3 and attr store1 > 1.2 )
     ((attr store1 < 3.047 and attr store1 > 2.987 ) and 
      (bondedto (attr store1 < 90.7290545657  and attr store1 > 89.9290545657 ) or 
       bondedto (attr store1 < 138.453163697  and attr store1 > 137.653163697) or 
       bondedto (attr store1 < 43.0049454343  and attr store1 > 42.2049454343 ))) 
6 0.1 0.1 peak 2773 volume 11.86764 ppm1 3.017 ppm2 1.250
 
! ############### c13noe.2774 folded +
assi (attr store1 < 3.98 and attr store1 > 3.88 )
     ((attr store1 < 1.585 and attr store1 > 1.525 ) and 
      (bondedto (attr store1 < 114.523109131  and attr store1 > 113.723109131 ) or 
       bondedto (attr store1 < 66.799  and attr store1 > 65.999 ) or 
       bondedto (attr store1 < 19.0748908686  and attr store1 > 18.2748908686 ))) 
6 0.1 0.1 peak 2774 volume 17.12239 ppm1 1.555 ppm2 3.930
 
! ############### c13noe.2775 folded +
assi (attr store1 < 1.95 and attr store1 > 1.85 )
     ((attr store1 < 1.585 and attr store1 > 1.525 ) and 
      (bondedto (attr store1 < 114.536109131  and attr store1 > 113.736109131 ) or 
       bondedto (attr store1 < 66.812  and attr store1 > 66.012 ) or 
       bondedto (attr store1 < 19.0878908686  and attr store1 > 18.2878908686 ))) 
6 0.1 0.1 peak 2775 volume 29.55019 ppm1 1.555 ppm2 1.900
 
! ############### c13noe.2776 folded +
assi (attr store1 < 1.0 and attr store1 > 0.9 )
     ((attr store1 < 1.586 and attr store1 > 1.526 ) and 
      (bondedto (attr store1 < 114.530109131  and attr store1 > 113.730109131 ) or 
       bondedto (attr store1 < 66.806  and attr store1 > 66.006 ) or 
       bondedto (attr store1 < 19.0818908686  and attr store1 > 18.2818908686 ))) 
6 0.1 0.1 peak 2776 volume 54.14224 ppm1 1.556 ppm2 0.950
 
! ############### c13noe.2777 folded +
assi (attr store1 < 4.096 and attr store1 > 3.996 )
     ((attr store1 < 1.583 and attr store1 > 1.523 ) and 
      (bondedto (attr store1 < 114.526109131  and attr store1 > 113.726109131 ) or 
       bondedto (attr store1 < 66.802  and attr store1 > 66.002 ) or 
       bondedto (attr store1 < 19.0778908686  and attr store1 > 18.2778908686 ))) 
6 0.1 0.1 peak 2777 volume 33.65096 ppm1 1.553 ppm2 4.046
 
! ############### c13noe.2778 folded +
assi (attr store1 < 8.557 and attr store1 > 8.457 )
     ((attr store1 < 1.537 and attr store1 > 1.477 ) and 
      (bondedto (attr store1 < 114.532109131  and attr store1 > 113.732109131 ) or 
       bondedto (attr store1 < 66.808  and attr store1 > 66.008 ) or 
       bondedto (attr store1 < 19.0838908686  and attr store1 > 18.2838908686 ))) 
6 0.1 0.1 peak 2778 volume 24.83115 ppm1 1.507 ppm2 8.507
 
! ############### c13noe.2779 folded +
assi (attr store1 < 4.094 and attr store1 > 3.994 )
     ((attr store1 < 1.535 and attr store1 > 1.475 ) and 
      (bondedto (attr store1 < 114.542109131  and attr store1 > 113.742109131 ) or 
       bondedto (attr store1 < 66.818  and attr store1 > 66.018 ) or 
       bondedto (attr store1 < 19.0938908686  and attr store1 > 18.2938908686 ))) 
6 0.1 0.1 peak 2779 volume 33.44962 ppm1 1.505 ppm2 4.044
 
! ############### c13noe.2780 folded +
assi (attr store1 < 1.95 and attr store1 > 1.85 )
     ((attr store1 < 1.533 and attr store1 > 1.473 ) and 
      (bondedto (attr store1 < 114.533109131  and attr store1 > 113.733109131 ) or 
       bondedto (attr store1 < 66.809  and attr store1 > 66.009 ) or 
       bondedto (attr store1 < 19.0848908686  and attr store1 > 18.2848908686 ))) 
6 0.1 0.1 peak 2780 volume 29.50736 ppm1 1.503 ppm2 1.900
 
! ############### c13noe.2781 folded +
assi (attr store1 < 0.999 and attr store1 > 0.899 )
     ((attr store1 < 1.533 and attr store1 > 1.473 ) and 
      (bondedto (attr store1 < 114.524109131  and attr store1 > 113.724109131 ) or 
       bondedto (attr store1 < 66.8  and attr store1 > 66.0 ) or 
       bondedto (attr store1 < 19.0758908686  and attr store1 > 18.2758908686 ))) 
6 0.1 0.1 peak 2781 volume 51.27850 ppm1 1.503 ppm2 0.949
 
! ############### c13noe.2782 folded +
assi (attr store1 < 8.497 and attr store1 > 8.397 )
     ((attr store1 < 4.03 and attr store1 > 3.97 ) and 
      (bondedto (attr store1 < 114.415109131  and attr store1 > 113.615109131 ) or 
       bondedto (attr store1 < 66.691  and attr store1 > 65.891 ) or 
       bondedto (attr store1 < 18.9668908686  and attr store1 > 18.1668908686 ))) 
6 0.1 0.1 peak 2782 volume 11.40119 ppm1 4.000 ppm2 8.447
 
! ############### c13noe.2783 folded +
assi (attr store1 < 2.534 and attr store1 > 2.434 )
     ((attr store1 < 4.031 and attr store1 > 3.971 ) and 
      (bondedto (attr store1 < 114.388109131  and attr store1 > 113.588109131 ) or 
       bondedto (attr store1 < 66.664  and attr store1 > 65.864 ) or 
       bondedto (attr store1 < 18.9398908686  and attr store1 > 18.1398908686 ))) 
6 0.1 0.1 peak 2783 volume 8.32790 ppm1 4.001 ppm2 2.484
 
! ############### c13noe.2784 folded +
assi (attr store1 < 8.179 and attr store1 > 8.079 )
     ((attr store1 < 4.026 and attr store1 > 3.966 ) and 
      (bondedto (attr store1 < 114.380109131  and attr store1 > 113.580109131 ) or 
       bondedto (attr store1 < 66.656  and attr store1 > 65.856 ) or 
       bondedto (attr store1 < 18.9318908686  and attr store1 > 18.1318908686 ))) 
6 0.1 0.1 peak 2784 volume 17.41898 ppm1 3.996 ppm2 8.129
 
! ############### c13noe.2785 folded +
assi (attr store1 < 1.008 and attr store1 > 0.908 )
     ((attr store1 < 4.021 and attr store1 > 3.961 ) and 
      (bondedto (attr store1 < 114.411109131  and attr store1 > 113.611109131 ) or 
       bondedto (attr store1 < 66.687  and attr store1 > 65.887 ) or 
       bondedto (attr store1 < 18.9628908686  and attr store1 > 18.1628908686 ))) 
6 0.1 0.1 peak 2785 volume 6.85799 ppm1 3.991 ppm2 0.958
 
! ############### c13noe.2786 folded +
assi (attr store1 < 2.17 and attr store1 > 2.07 )
     ((attr store1 < 3.628 and attr store1 > 3.568 ) and 
      (bondedto (attr store1 < 114.369109131  and attr store1 > 113.569109131 ) or 
       bondedto (attr store1 < 66.645  and attr store1 > 65.845 ) or 
       bondedto (attr store1 < 18.9208908686  and attr store1 > 18.1208908686 ))) 
6 0.1 0.1 peak 2786 volume 12.18324 ppm1 3.598 ppm2 2.120
 
! ############### c13noe.2787 folded +
assi (attr store1 < 8.695 and attr store1 > 8.595 )
     ((attr store1 < 3.626 and attr store1 > 3.566 ) and 
      (bondedto (attr store1 < 114.392109131  and attr store1 > 113.592109131 ) or 
       bondedto (attr store1 < 66.668  and attr store1 > 65.868 ) or 
       bondedto (attr store1 < 18.9438908686  and attr store1 > 18.1438908686 ))) 
6 0.1 0.1 peak 2787 volume 10.14023 ppm1 3.596 ppm2 8.645
 
! ############### c13noe.2788 folded +
assi (attr store1 < 0.958 and attr store1 > 0.858 )
     ((attr store1 < 3.625 and attr store1 > 3.565 ) and 
      (bondedto (attr store1 < 114.397109131  and attr store1 > 113.597109131 ) or 
       bondedto (attr store1 < 66.673  and attr store1 > 65.873 ) or 
       bondedto (attr store1 < 18.9488908686  and attr store1 > 18.1488908686 ))) 
6 0.1 0.1 peak 2788 volume 40.69474 ppm1 3.595 ppm2 0.908
 
! ############### c13noe.2789 folded -
assi (attr store1 < 6.915 and attr store1 > 6.815 )
     ((attr store1 < 3.075 and attr store1 > 3.015 ) and 
      (bondedto (attr store1 < 90.5280545657  and attr store1 > 89.7280545657 ) or 
       bondedto (attr store1 < 138.252163697  and attr store1 > 137.452163697) or 
       bondedto (attr store1 < 42.8039454343  and attr store1 > 42.0039454343 ))) 
6 0.1 0.1 peak 2789 volume 9.84067 ppm1 3.045 ppm2 6.865
 
! ############### c13noe.2790 folded -
assi (attr store1 < 2.326 and attr store1 > 2.226 )
     ((attr store1 < 3.075 and attr store1 > 3.015 ) and 
      (bondedto (attr store1 < 90.5540545657  and attr store1 > 89.7540545657 ) or 
       bondedto (attr store1 < 138.278163697  and attr store1 > 137.478163697) or 
       bondedto (attr store1 < 42.8299454343  and attr store1 > 42.0299454343 ))) 
6 0.1 0.1 peak 2790 volume 11.29732 ppm1 3.045 ppm2 2.276
 
! ############### c13noe.2791 folded -
assi (attr store1 < 2.168 and attr store1 > 2.068 )
     ((attr store1 < 3.074 and attr store1 > 3.014 ) and 
      (bondedto (attr store1 < 90.5330545657  and attr store1 > 89.7330545657 ) or 
       bondedto (attr store1 < 138.257163697  and attr store1 > 137.457163697) or 
       bondedto (attr store1 < 42.8089454343  and attr store1 > 42.0089454343 ))) 
6 0.1 0.1 peak 2791 volume 24.03281 ppm1 3.044 ppm2 2.118
 
! ############### c13noe.2792 folded -
assi (attr store1 < 2.093 and attr store1 > 1.993 )
     ((attr store1 < 3.074 and attr store1 > 3.014 ) and 
      (bondedto (attr store1 < 90.5460545657  and attr store1 > 89.7460545657 ) or 
       bondedto (attr store1 < 138.270163697  and attr store1 > 137.470163697) or 
       bondedto (attr store1 < 42.8219454343  and attr store1 > 42.0219454343 ))) 
6 0.1 0.1 peak 2792 volume 31.54415 ppm1 3.044 ppm2 2.043
 
! ############### c13noe.2793 folded -
assi (attr store1 < 1.823 and attr store1 > 1.723 )
     ((attr store1 < 3.073 and attr store1 > 3.013 ) and 
      (bondedto (attr store1 < 90.5170545657  and attr store1 > 89.7170545657 ) or 
       bondedto (attr store1 < 138.241163697  and attr store1 > 137.441163697) or 
       bondedto (attr store1 < 42.7929454343  and attr store1 > 41.9929454343 ))) 
6 0.1 0.1 peak 2793 volume 195.89656 ppm1 3.043 ppm2 1.773
 
! ############### c13noe.2794 folded -
assi (attr store1 < 8.384 and attr store1 > 8.284 )
     ((attr store1 < 3.07 and attr store1 > 3.01 ) and 
      (bondedto (attr store1 < 90.5400545657  and attr store1 > 89.7400545657 ) or 
       bondedto (attr store1 < 138.264163697  and attr store1 > 137.464163697) or 
       bondedto (attr store1 < 42.8159454343  and attr store1 > 42.0159454343 ))) 
6 0.1 0.1 peak 2794 volume 7.77079 ppm1 3.040 ppm2 8.334
 
! ############### c13noe.2795 folded -
assi (attr store1 < 8.156 and attr store1 > 8.056 )
     ((attr store1 < 3.072 and attr store1 > 3.012 ) and 
      (bondedto (attr store1 < 90.5330545657  and attr store1 > 89.7330545657 ) or 
       bondedto (attr store1 < 138.257163697  and attr store1 > 137.457163697) or 
       bondedto (attr store1 < 42.8089454343  and attr store1 > 42.0089454343 ))) 
6 0.1 0.1 peak 2795 volume 9.00752 ppm1 3.042 ppm2 8.106
 
! ############### c13noe.2796 folded -
assi (attr store1 < 2.278 and attr store1 > 2.178 )
     ((attr store1 < 3.07 and attr store1 > 3.01 ) and 
      (bondedto (attr store1 < 90.5250545657  and attr store1 > 89.7250545657 ) or 
       bondedto (attr store1 < 138.249163697  and attr store1 > 137.449163697) or 
       bondedto (attr store1 < 42.8009454343  and attr store1 > 42.0009454343 ))) 
6 0.1 0.1 peak 2796 volume 13.65687 ppm1 3.040 ppm2 2.228
 
! ############### c13noe.2797 folded -
assi (attr store1 < 1.738 and attr store1 > 1.638 )
     ((attr store1 < 3.072 and attr store1 > 3.012 ) and 
      (bondedto (attr store1 < 90.5240545657  and attr store1 > 89.7240545657 ) or 
       bondedto (attr store1 < 138.248163697  and attr store1 > 137.448163697) or 
       bondedto (attr store1 < 42.7999454343  and attr store1 > 41.9999454343 ))) 
6 0.1 0.1 peak 2797 volume 103.50357 ppm1 3.042 ppm2 1.688
 
! ############### c13noe.2798 folded -
assi (attr store1 < 1.584 and attr store1 > 1.484 )
     ((attr store1 < 3.071 and attr store1 > 3.011 ) and 
      (bondedto (attr store1 < 90.5340545657  and attr store1 > 89.7340545657 ) or 
       bondedto (attr store1 < 138.258163697  and attr store1 > 137.458163697) or 
       bondedto (attr store1 < 42.8099454343  and attr store1 > 42.0099454343 ))) 
6 0.1 0.1 peak 2798 volume 103.03866 ppm1 3.041 ppm2 1.534
 
! ############### c13noe.2799 folded -
assi (attr store1 < 0.965 and attr store1 > 0.865 )
     ((attr store1 < 3.064 and attr store1 > 3.004 ) and 
      (bondedto (attr store1 < 90.5740545657  and attr store1 > 89.7740545657 ) or 
       bondedto (attr store1 < 138.298163697  and attr store1 > 137.498163697) or 
       bondedto (attr store1 < 42.8499454343  and attr store1 > 42.0499454343 ))) 
6 0.1 0.1 peak 2799 volume 46.98586 ppm1 3.034 ppm2 0.915
 
! ############### c13noe.2800 folded -
assi (attr store1 < 0.967 and attr store1 > 0.867 )
     ((attr store1 < 3.032 and attr store1 > 2.972 ) and 
      (bondedto (attr store1 < 90.5530545657  and attr store1 > 89.7530545657 ) or 
       bondedto (attr store1 < 138.277163697  and attr store1 > 137.477163697) or 
       bondedto (attr store1 < 42.8289454343  and attr store1 > 42.0289454343 ))) 
6 0.1 0.1 peak 2800 volume 47.40059 ppm1 3.002 ppm2 0.917
 
! ############### c13noe.2801 folded -
assi (attr store1 < 1.86 and attr store1 > 1.76 )
     ((attr store1 < 3.027 and attr store1 > 2.967 ) and 
      (bondedto (attr store1 < 90.5740545657  and attr store1 > 89.7740545657 ) or 
       bondedto (attr store1 < 138.298163697  and attr store1 > 137.498163697) or 
       bondedto (attr store1 < 42.8499454343  and attr store1 > 42.0499454343 ))) 
6 0.1 0.1 peak 2801 volume 39.52085 ppm1 2.997 ppm2 1.810
 
! ############### c13noe.2802 folded -
assi (attr store1 < 1.503 and attr store1 > 1.403 )
     ((attr store1 < 1.222 and attr store1 > 1.162 ) and 
      (bondedto (attr store1 < 90.5250545657  and attr store1 > 89.7250545657 ) or 
       bondedto (attr store1 < 138.249163697  and attr store1 > 137.449163697) or 
       bondedto (attr store1 < 42.8009454343  and attr store1 > 42.0009454343 ))) 
6 0.1 0.1 peak 2802 volume 20.22958 ppm1 1.192 ppm2 1.453
 
! ############### c13noe.2803 folded +
assi (attr store1 < 2.437 and attr store1 > 2.337 )
     ((attr store1 < 4.031 and attr store1 > 3.971 ) and 
      (bondedto (attr store1 < 114.320109131  and attr store1 > 113.520109131 ) or 
       bondedto (attr store1 < 66.596  and attr store1 > 65.796 ) or 
       bondedto (attr store1 < 18.8718908686  and attr store1 > 18.0718908686 ))) 
6 0.1 0.1 peak 2803 volume 11.24374 ppm1 4.001 ppm2 2.387
 
! ############### c13noe.2804 folded +
assi (attr store1 < 7.816 and attr store1 > 7.716 )
     ((attr store1 < 4.028 and attr store1 > 3.968 ) and 
      (bondedto (attr store1 < 114.323109131  and attr store1 > 113.523109131 ) or 
       bondedto (attr store1 < 66.599  and attr store1 > 65.799 ) or 
       bondedto (attr store1 < 18.8748908686  and attr store1 > 18.0748908686 ))) 
6 0.1 0.1 peak 2804 volume 10.13536 ppm1 3.998 ppm2 7.766
 
! ############### c13noe.2805 folded +
assi (attr store1 < 2.266 and attr store1 > 2.166 )
     ((attr store1 < 4.025 and attr store1 > 3.965 ) and 
      (bondedto (attr store1 < 114.329109131  and attr store1 > 113.529109131 ) or 
       bondedto (attr store1 < 66.605  and attr store1 > 65.805 ) or 
       bondedto (attr store1 < 18.8808908686  and attr store1 > 18.0808908686 ))) 
6 0.1 0.1 peak 2805 volume 23.19150 ppm1 3.995 ppm2 2.216
 
! ############### c13noe.2806 folded +
assi (attr store1 < 1.619 and attr store1 > 1.519 )
     ((attr store1 < 4.027 and attr store1 > 3.967 ) and 
      (bondedto (attr store1 < 114.338109131  and attr store1 > 113.538109131 ) or 
       bondedto (attr store1 < 66.614  and attr store1 > 65.814 ) or 
       bondedto (attr store1 < 18.8898908686  and attr store1 > 18.0898908686 ))) 
6 0.1 0.1 peak 2806 volume 8.69649 ppm1 3.997 ppm2 1.569
 
! ############### c13noe.2807 folded +
assi (attr store1 < 1.166 and attr store1 > 1.066 )
     ((attr store1 < 4.025 and attr store1 > 3.965 ) and 
      (bondedto (attr store1 < 114.351109131  and attr store1 > 113.551109131 ) or 
       bondedto (attr store1 < 66.627  and attr store1 > 65.827 ) or 
       bondedto (attr store1 < 18.9028908686  and attr store1 > 18.1028908686 ))) 
6 0.1 0.1 peak 2807 volume 39.93546 ppm1 3.995 ppm2 1.116
 
! ############### c13noe.2808 folded +
assi (attr store1 < 8.497 and attr store1 > 8.397 )
     ((attr store1 < 4.023 and attr store1 > 3.963 ) and 
      (bondedto (attr store1 < 114.340109131  and attr store1 > 113.540109131 ) or 
       bondedto (attr store1 < 66.616  and attr store1 > 65.816 ) or 
       bondedto (attr store1 < 18.8918908686  and attr store1 > 18.0918908686 ))) 
6 0.1 0.1 peak 2808 volume 11.32604 ppm1 3.993 ppm2 8.447
 
! ############### c13noe.2809 folded +
assi (attr store1 < 3.718 and attr store1 > 3.618 )
     ((attr store1 < 3.867 and attr store1 > 3.807 ) and 
      (bondedto (attr store1 < 114.343109131  and attr store1 > 113.543109131 ) or 
       bondedto (attr store1 < 66.619  and attr store1 > 65.819 ) or 
       bondedto (attr store1 < 18.8948908686  and attr store1 > 18.0948908686 ))) 
6 0.1 0.1 peak 2809 volume 26.70443 ppm1 3.837 ppm2 3.668
 
! ############### c13noe.2810 folded +
assi (attr store1 < 3.887 and attr store1 > 3.787 )
     ((attr store1 < 3.702 and attr store1 > 3.642 ) and 
      (bondedto (attr store1 < 114.345109131  and attr store1 > 113.545109131 ) or 
       bondedto (attr store1 < 66.621  and attr store1 > 65.821 ) or 
       bondedto (attr store1 < 18.8968908686  and attr store1 > 18.0968908686 ))) 
6 0.1 0.1 peak 2810 volume 21.40578 ppm1 3.672 ppm2 3.837
 
! ############### c13noe.2811 folded +
assi (attr store1 < 1.916 and attr store1 > 1.816 )
     ((attr store1 < 3.627 and attr store1 > 3.567 ) and 
      (bondedto (attr store1 < 114.314109131  and attr store1 > 113.514109131 ) or 
       bondedto (attr store1 < 66.59  and attr store1 > 65.79 ) or 
       bondedto (attr store1 < 18.8658908686  and attr store1 > 18.0658908686 ))) 
6 0.1 0.1 peak 2811 volume 11.82997 ppm1 3.597 ppm2 1.866
 
! ############### c13noe.2812 folded +
assi (attr store1 < 3.226 and attr store1 > 3.126 )
     ((attr store1 < 3.278 and attr store1 > 3.218 ) and 
      (bondedto (attr store1 < 114.298109131  and attr store1 > 113.498109131 ) or 
       bondedto (attr store1 < 66.574  and attr store1 > 65.774 ) or 
       bondedto (attr store1 < 18.8498908686  and attr store1 > 18.0498908686 ))) 
6 0.1 0.1 peak 2812 volume 25.73724 ppm1 3.248 ppm2 3.176
 
! ############### c13noe.2813 folded -
assi (attr store1 < 7.872 and attr store1 > 7.772 )
     ((attr store1 < 3.027 and attr store1 > 2.967 ) and 
      (bondedto (attr store1 < 90.4520545657  and attr store1 > 89.6520545657 ) or 
       bondedto (attr store1 < 138.176163697  and attr store1 > 137.376163697) or 
       bondedto (attr store1 < 42.7279454343  and attr store1 > 41.9279454343 ))) 
6 0.1 0.1 peak 2813 volume 16.6188 ppm1 2.997 ppm2 7.822
 
! ############### c13noe.2814 folded -
assi (attr store1 < 2.056 and attr store1 > 1.956 )
     ((attr store1 < 3.027 and attr store1 > 2.967 ) and 
      (bondedto (attr store1 < 90.4480545657  and attr store1 > 89.6480545657 ) or 
       bondedto (attr store1 < 138.172163697  and attr store1 > 137.372163697) or 
       bondedto (attr store1 < 42.7239454343  and attr store1 > 41.9239454343 ))) 
6 0.1 0.1 peak 2814 volume 41.22451 ppm1 2.997 ppm2 2.006
 
! ############### c13noe.2815 folded -
assi (attr store1 < 1.694 and attr store1 > 1.594 )
     ((attr store1 < 3.028 and attr store1 > 2.968 ) and 
      (bondedto (attr store1 < 90.4470545657  and attr store1 > 89.6470545657 ) or 
       bondedto (attr store1 < 138.171163697  and attr store1 > 137.371163697) or 
       bondedto (attr store1 < 42.7229454343  and attr store1 > 41.9229454343 ))) 
6 0.1 0.1 peak 2815 volume 204.20003 ppm1 2.998 ppm2 1.644
 
! ############### c13noe.2816 folded -
assi (attr store1 < 1.547 and attr store1 > 1.447 )
     ((attr store1 < 3.027 and attr store1 > 2.967 ) and 
      (bondedto (attr store1 < 90.4720545657  and attr store1 > 89.6720545657 ) or 
       bondedto (attr store1 < 138.196163697  and attr store1 > 137.396163697) or 
       bondedto (attr store1 < 42.7479454343  and attr store1 > 41.9479454343 ))) 
6 0.1 0.1 peak 2816 volume 110.57697 ppm1 2.997 ppm2 1.497
 
! ############### c13noe.2817 folded -
assi (attr store1 < 1.352 and attr store1 > 1.252 )
     ((attr store1 < 3.028 and attr store1 > 2.968 ) and 
      (bondedto (attr store1 < 90.4680545657  and attr store1 > 89.6680545657 ) or 
       bondedto (attr store1 < 138.192163697  and attr store1 > 137.392163697) or 
       bondedto (attr store1 < 42.7439454343  and attr store1 > 41.9439454343 ))) 
6 0.1 0.1 peak 2817 volume 26.33043 ppm1 2.998 ppm2 1.302
 
! ############### c13noe.2818 folded -
assi (attr store1 < 1.959 and attr store1 > 1.859 )
     ((attr store1 < 3.02 and attr store1 > 2.96 ) and 
      (bondedto (attr store1 < 90.4800545657  and attr store1 > 89.6800545657 ) or 
       bondedto (attr store1 < 138.204163697  and attr store1 > 137.404163697) or 
       bondedto (attr store1 < 42.7559454343  and attr store1 > 41.9559454343 ))) 
6 0.1 0.1 peak 2818 volume 25.9785 ppm1 2.990 ppm2 1.909
 
! ############### c13noe.2819 folded -
assi (attr store1 < 1.734 and attr store1 > 1.634 )
     ((attr store1 < 3.021 and attr store1 > 2.961 ) and 
      (bondedto (attr store1 < 90.4690545657  and attr store1 > 89.6690545657 ) or 
       bondedto (attr store1 < 138.193163697  and attr store1 > 137.393163697) or 
       bondedto (attr store1 < 42.7449454343  and attr store1 > 41.9449454343 ))) 
6 0.1 0.1 peak 2819 volume 171.36237 ppm1 2.991 ppm2 1.684
 
! ############### c13noe.2820 folded -
assi (attr store1 < 2.384 and attr store1 > 2.284 )
     ((attr store1 < 3.012 and attr store1 > 2.952 ) and 
      (bondedto (attr store1 < 90.4810545657  and attr store1 > 89.6810545657 ) or 
       bondedto (attr store1 < 138.205163697  and attr store1 > 137.405163697) or 
       bondedto (attr store1 < 42.7569454343  and attr store1 > 41.9569454343 ))) 
6 0.1 0.1 peak 2820 volume 26.21339 ppm1 2.982 ppm2 2.334
 
! ############### c13noe.2821 folded -
assi (attr store1 < 1.727 and attr store1 > 1.627 )
     ((attr store1 < 2.894 and attr store1 > 2.834 ) and 
      (bondedto (attr store1 < 90.4290545657  and attr store1 > 89.6290545657 ) or 
       bondedto (attr store1 < 138.153163697  and attr store1 > 137.353163697) or 
       bondedto (attr store1 < 42.7049454343  and attr store1 > 41.9049454343 ))) 
6 0.1 0.1 peak 2821 volume 83.98777 ppm1 2.864 ppm2 1.677
 
! ############### c13noe.2822 folded -
assi (attr store1 < 0.953 and attr store1 > 0.853 )
     ((attr store1 < 2.893 and attr store1 > 2.833 ) and 
      (bondedto (attr store1 < 90.4250545657  and attr store1 > 89.6250545657 ) or 
       bondedto (attr store1 < 138.149163697  and attr store1 > 137.349163697) or 
       bondedto (attr store1 < 42.7009454343  and attr store1 > 41.9009454343 ))) 
6 0.1 0.1 peak 2822 volume 64.12716 ppm1 2.863 ppm2 0.903
 
! ############### c13noe.2823 folded +
assi (attr store1 < 2.303 and attr store1 > 2.203 )
     ((attr store1 < 4.294 and attr store1 > 4.234 ) and 
      (bondedto (attr store1 < 114.180109131  and attr store1 > 113.380109131 ) or 
       bondedto (attr store1 < 66.456  and attr store1 > 65.656 ) or 
       bondedto (attr store1 < 18.7318908686  and attr store1 > 17.9318908686 ))) 
6 0.1 0.1 peak 2823 volume 11.95781 ppm1 4.264 ppm2 2.253
 
! ############### c13noe.2824 folded +
assi (attr store1 < 6.893 and attr store1 > 6.793 )
     ((attr store1 < 2.11 and attr store1 > 2.05 ) and 
      (bondedto (attr store1 < 114.197109131  and attr store1 > 113.397109131 ) or 
       bondedto (attr store1 < 66.473  and attr store1 > 65.673 ) or 
       bondedto (attr store1 < 18.7488908686  and attr store1 > 17.9488908686 ))) 
6 0.1 0.1 peak 2824 volume 8.46292 ppm1 2.080 ppm2 6.843
 
! ############### c13noe.2825 folded +
assi (attr store1 < 4.0 and attr store1 > 3.9 )
     ((attr store1 < 2.107 and attr store1 > 2.047 ) and 
      (bondedto (attr store1 < 114.207109131  and attr store1 > 113.407109131 ) or 
       bondedto (attr store1 < 66.483  and attr store1 > 65.683 ) or 
       bondedto (attr store1 < 18.7588908686  and attr store1 > 17.9588908686 ))) 
6 0.1 0.1 peak 2825 volume 16.27937 ppm1 2.077 ppm2 3.950
 
! ############### c13noe.2826 folded +
assi (attr store1 < 3.006 and attr store1 > 2.906 )
     ((attr store1 < 2.095 and attr store1 > 2.035 ) and 
      (bondedto (attr store1 < 114.215109131  and attr store1 > 113.415109131 ) or 
       bondedto (attr store1 < 66.491  and attr store1 > 65.691 ) or 
       bondedto (attr store1 < 18.7668908686  and attr store1 > 17.9668908686 ))) 
6 0.1 0.1 peak 2826 volume 22.86901 ppm1 2.065 ppm2 2.956
 
! ############### c13noe.2827 folded +
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 2.09 and attr store1 > 2.03 ) and 
      (bondedto (attr store1 < 114.225109131  and attr store1 > 113.425109131 ) or 
       bondedto (attr store1 < 66.501  and attr store1 > 65.701 ) or 
       bondedto (attr store1 < 18.7768908686  and attr store1 > 17.9768908686 ))) 
6 0.1 0.1 peak 2827 volume 14.35469 ppm1 2.060 ppm2 4.686
 
! ############### c13noe.2828 folded +
assi (attr store1 < 6.893 and attr store1 > 6.793 )
     ((attr store1 < 2.062 and attr store1 > 2.002 ) and 
      (bondedto (attr store1 < 114.206109131  and attr store1 > 113.406109131 ) or 
       bondedto (attr store1 < 66.482  and attr store1 > 65.682 ) or 
       bondedto (attr store1 < 18.7578908686  and attr store1 > 17.9578908686 ))) 
6 0.1 0.1 peak 2828 volume 7.51967 ppm1 2.032 ppm2 6.843
 
! ############### c13noe.2829 folded +
assi (attr store1 < 3.999 and attr store1 > 3.899 )
     ((attr store1 < 2.06 and attr store1 > 2.0 ) and 
      (bondedto (attr store1 < 114.194109131  and attr store1 > 113.394109131 ) or 
       bondedto (attr store1 < 66.47  and attr store1 > 65.67 ) or 
       bondedto (attr store1 < 18.7458908686  and attr store1 > 17.9458908686 ))) 
6 0.1 0.1 peak 2829 volume 15.29177 ppm1 2.030 ppm2 3.949
 
! ############### c13noe.2830 folded +
assi (attr store1 < 7.814 and attr store1 > 7.714 )
     ((attr store1 < 0.801 and attr store1 > 0.741 ) and 
      (bondedto (attr store1 < 114.194109131  and attr store1 > 113.394109131 ) or 
       bondedto (attr store1 < 66.47  and attr store1 > 65.67 ) or 
       bondedto (attr store1 < 18.7458908686  and attr store1 > 17.9458908686 ))) 
6 0.1 0.1 peak 2830 volume 8.91936 ppm1 0.771 ppm2 7.764
 
! ############### c13noe.2831 folded +
assi (attr store1 < 3.614 and attr store1 > 3.514 )
     ((attr store1 < 0.787 and attr store1 > 0.727 ) and 
      (bondedto (attr store1 < 114.186109131  and attr store1 > 113.386109131 ) or 
       bondedto (attr store1 < 66.462  and attr store1 > 65.662 ) or 
       bondedto (attr store1 < 18.7378908686  and attr store1 > 17.9378908686 ))) 
6 0.1 0.1 peak 2831 volume 16.55657 ppm1 0.757 ppm2 3.564
 
! ############### c13noe.2832 folded +
assi (attr store1 < 1.956 and attr store1 > 1.856 )
     ((attr store1 < 0.788 and attr store1 > 0.728 ) and 
      (bondedto (attr store1 < 114.183109131  and attr store1 > 113.383109131 ) or 
       bondedto (attr store1 < 66.459  and attr store1 > 65.659 ) or 
       bondedto (attr store1 < 18.7348908686  and attr store1 > 17.9348908686 ))) 
6 0.1 0.1 peak 2832 volume 31.60842 ppm1 0.758 ppm2 1.906
 
! ############### c13noe.2833 folded +
assi (attr store1 < 0.544 and attr store1 > 0.444 )
     ((attr store1 < 0.789 and attr store1 > 0.729 ) and 
      (bondedto (attr store1 < 114.206109131  and attr store1 > 113.406109131 ) or 
       bondedto (attr store1 < 66.482  and attr store1 > 65.682 ) or 
       bondedto (attr store1 < 18.7578908686  and attr store1 > 17.9578908686 ))) 
6 0.1 0.1 peak 2833 volume 22.20968 ppm1 0.759 ppm2 0.494
 
! ############### c13noe.2834 folded -
assi (attr store1 < 7.862 and attr store1 > 7.762 )
     ((attr store1 < 2.991 and attr store1 > 2.931 ) and 
      (bondedto (attr store1 < 90.3470545657  and attr store1 > 89.5470545657 ) or 
       bondedto (attr store1 < 138.071163697  and attr store1 > 137.271163697) or 
       bondedto (attr store1 < 42.6229454343  and attr store1 > 41.8229454343 ))) 
6 0.1 0.1 peak 2834 volume 7.59543 ppm1 2.961 ppm2 7.812
 
! ############### c13noe.2835 folded -
assi (attr store1 < 2.294 and attr store1 > 2.194 )
     ((attr store1 < 2.987 and attr store1 > 2.927 ) and 
      (bondedto (attr store1 < 90.3500545657  and attr store1 > 89.5500545657 ) or 
       bondedto (attr store1 < 138.074163697  and attr store1 > 137.274163697) or 
       bondedto (attr store1 < 42.6259454343  and attr store1 > 41.8259454343 ))) 
6 0.1 0.1 peak 2835 volume 9.07108 ppm1 2.957 ppm2 2.244
 
! ############### c13noe.2836 folded -
assi (attr store1 < 2.111 and attr store1 > 2.011 )
     ((attr store1 < 2.979 and attr store1 > 2.919 ) and 
      (bondedto (attr store1 < 90.3750545657  and attr store1 > 89.5750545657 ) or 
       bondedto (attr store1 < 138.099163697  and attr store1 > 137.299163697) or 
       bondedto (attr store1 < 42.6509454343  and attr store1 > 41.8509454343 ))) 
6 0.1 0.1 peak 2836 volume 41.01571 ppm1 2.949 ppm2 2.061
 
! ############### c13noe.2837 folded -
assi (attr store1 < 1.762 and attr store1 > 1.662 )
     ((attr store1 < 2.982 and attr store1 > 2.922 ) and 
      (bondedto (attr store1 < 90.3740545657  and attr store1 > 89.5740545657 ) or 
       bondedto (attr store1 < 138.098163697  and attr store1 > 137.298163697) or 
       bondedto (attr store1 < 42.6499454343  and attr store1 > 41.8499454343 ))) 
6 0.1 0.1 peak 2837 volume 212.95482 ppm1 2.952 ppm2 1.712
 
! ############### c13noe.2838 folded -
assi (attr store1 < 1.478 and attr store1 > 1.378 )
     ((attr store1 < 2.974 and attr store1 > 2.914 ) and 
      (bondedto (attr store1 < 90.3580545657  and attr store1 > 89.5580545657 ) or 
       bondedto (attr store1 < 138.082163697  and attr store1 > 137.282163697) or 
       bondedto (attr store1 < 42.6339454343  and attr store1 > 41.8339454343 ))) 
6 0.1 0.1 peak 2838 volume 65.55337 ppm1 2.944 ppm2 1.428
 
! ############### c13noe.2839 folded -
assi (attr store1 < 8.452 and attr store1 > 8.352 )
     ((attr store1 < 2.948 and attr store1 > 2.888 ) and 
      (bondedto (attr store1 < 90.3390545657  and attr store1 > 89.5390545657 ) or 
       bondedto (attr store1 < 138.063163697  and attr store1 > 137.263163697) or 
       bondedto (attr store1 < 42.6149454343  and attr store1 > 41.8149454343 ))) 
6 0.1 0.1 peak 2839 volume 8.84839 ppm1 2.918 ppm2 8.402
 
! ############### c13noe.2840 folded -
assi (attr store1 < 2.353 and attr store1 > 2.253 )
     ((attr store1 < 2.95 and attr store1 > 2.89 ) and 
      (bondedto (attr store1 < 90.3650545657  and attr store1 > 89.5650545657 ) or 
       bondedto (attr store1 < 138.089163697  and attr store1 > 137.289163697) or 
       bondedto (attr store1 < 42.6409454343  and attr store1 > 41.8409454343 ))) 
6 0.1 0.1 peak 2840 volume 10.76485 ppm1 2.920 ppm2 2.303
 
! ############### c13noe.2841 folded -
assi (attr store1 < 1.768 and attr store1 > 1.668 )
     ((attr store1 < 2.948 and attr store1 > 2.888 ) and 
      (bondedto (attr store1 < 90.3480545657  and attr store1 > 89.5480545657 ) or 
       bondedto (attr store1 < 138.072163697  and attr store1 > 137.272163697) or 
       bondedto (attr store1 < 42.6239454343  and attr store1 > 41.8239454343 ))) 
6 0.1 0.1 peak 2841 volume 170.2249 ppm1 2.918 ppm2 1.718
 
! ############### c13noe.2842 folded -
assi (attr store1 < 1.492 and attr store1 > 1.392 )
     ((attr store1 < 2.949 and attr store1 > 2.889 ) and 
      (bondedto (attr store1 < 90.3650545657  and attr store1 > 89.5650545657 ) or 
       bondedto (attr store1 < 138.089163697  and attr store1 > 137.289163697) or 
       bondedto (attr store1 < 42.6409454343  and attr store1 > 41.8409454343 ))) 
6 0.1 0.1 peak 2842 volume 67.42793 ppm1 2.919 ppm2 1.442
 
! ############### c13noe.2843 folded -
assi (attr store1 < 0.961 and attr store1 > 0.861 )
     ((attr store1 < 2.949 and attr store1 > 2.889 ) and 
      (bondedto (attr store1 < 90.3680545657  and attr store1 > 89.5680545657 ) or 
       bondedto (attr store1 < 138.092163697  and attr store1 > 137.292163697) or 
       bondedto (attr store1 < 42.6439454343  and attr store1 > 41.8439454343 ))) 
6 0.1 0.1 peak 2843 volume 159.37198 ppm1 2.919 ppm2 0.911
 
! ############### c13noe.2844 folded -
assi (attr store1 < 2.172 and attr store1 > 2.072 )
     ((attr store1 < 2.944 and attr store1 > 2.884 ) and 
      (bondedto (attr store1 < 90.3490545657  and attr store1 > 89.5490545657 ) or 
       bondedto (attr store1 < 138.073163697  and attr store1 > 137.273163697) or 
       bondedto (attr store1 < 42.6249454343  and attr store1 > 41.8249454343 ))) 
6 0.1 0.1 peak 2844 volume 38.47129 ppm1 2.914 ppm2 2.122
 
! ############### c13noe.2845 folded -
assi (attr store1 < 2.1 and attr store1 > 2.0 )
     ((attr store1 < 2.946 and attr store1 > 2.886 ) and 
      (bondedto (attr store1 < 90.3670545657  and attr store1 > 89.5670545657 ) or 
       bondedto (attr store1 < 138.091163697  and attr store1 > 137.291163697) or 
       bondedto (attr store1 < 42.6429454343  and attr store1 > 41.8429454343 ))) 
6 0.1 0.1 peak 2845 volume 33.94438 ppm1 2.916 ppm2 2.050
 
! ############### c13noe.2846 folded -
assi (attr store1 < 1.887 and attr store1 > 1.787 )
     ((attr store1 < 2.944 and attr store1 > 2.884 ) and 
      (bondedto (attr store1 < 90.3410545657  and attr store1 > 89.5410545657 ) or 
       bondedto (attr store1 < 138.065163697  and attr store1 > 137.265163697) or 
       bondedto (attr store1 < 42.6169454343  and attr store1 > 41.8169454343 ))) 
6 0.1 0.1 peak 2846 volume 49.27536 ppm1 2.914 ppm2 1.837
 
! ############### c13noe.2847 folded -
assi (attr store1 < 0.764 and attr store1 > 0.664 )
     ((attr store1 < 1.685 and attr store1 > 1.625 ) and 
      (bondedto (attr store1 < 90.3470545657  and attr store1 > 89.5470545657 ) or 
       bondedto (attr store1 < 138.071163697  and attr store1 > 137.271163697) or 
       bondedto (attr store1 < 42.6229454343  and attr store1 > 41.8229454343 ))) 
6 0.1 0.1 peak 2847 volume 12.6673 ppm1 1.655 ppm2 0.714
 
! ############### c13noe.2848 folded +
assi (attr store1 < 1.917 and attr store1 > 1.817 )
     ((attr store1 < 4.293 and attr store1 > 4.233 ) and 
      (bondedto (attr store1 < 114.118109131  and attr store1 > 113.318109131 ) or 
       bondedto (attr store1 < 66.394  and attr store1 > 65.594 ) or 
       bondedto (attr store1 < 18.6698908686  and attr store1 > 17.8698908686 ))) 
6 0.1 0.1 peak 2848 volume 16.75602 ppm1 4.263 ppm2 1.867
 
! ############### c13noe.2849 folded +
assi (attr store1 < 2.082 and attr store1 > 1.982 )
     ((attr store1 < 4.29 and attr store1 > 4.23 ) and 
      (bondedto (attr store1 < 114.149109131  and attr store1 > 113.349109131 ) or 
       bondedto (attr store1 < 66.425  and attr store1 > 65.625 ) or 
       bondedto (attr store1 < 18.7008908686  and attr store1 > 17.9008908686 ))) 
6 0.1 0.1 peak 2849 volume 24.85528 ppm1 4.260 ppm2 2.032
 
! ############### c13noe.2850 folded +
assi (attr store1 < 2.025 and attr store1 > 1.925 )
     ((attr store1 < 4.289 and attr store1 > 4.229 ) and 
      (bondedto (attr store1 < 114.176109131  and attr store1 > 113.376109131 ) or 
       bondedto (attr store1 < 66.452  and attr store1 > 65.652 ) or 
       bondedto (attr store1 < 18.7278908686  and attr store1 > 17.9278908686 ))) 
6 0.1 0.1 peak 2850 volume 22.22129 ppm1 4.259 ppm2 1.975
 
! ############### c13noe.2851 folded +
assi (attr store1 < 2.437 and attr store1 > 2.337 )
     ((attr store1 < 4.285 and attr store1 > 4.225 ) and 
      (bondedto (attr store1 < 114.155109131  and attr store1 > 113.355109131 ) or 
       bondedto (attr store1 < 66.431  and attr store1 > 65.631 ) or 
       bondedto (attr store1 < 18.7068908686  and attr store1 > 17.9068908686 ))) 
6 0.1 0.1 peak 2851 volume 29.23646 ppm1 4.255 ppm2 2.387
 
! ############### c13noe.2852 folded +
assi (attr store1 < 1.748 and attr store1 > 1.648 )
     ((attr store1 < 4.285 and attr store1 > 4.225 ) and 
      (bondedto (attr store1 < 114.133109131  and attr store1 > 113.333109131 ) or 
       bondedto (attr store1 < 66.409  and attr store1 > 65.609 ) or 
       bondedto (attr store1 < 18.6848908686  and attr store1 > 17.8848908686 ))) 
6 0.1 0.1 peak 2852 volume 9.76625 ppm1 4.255 ppm2 1.698
 
! ############### c13noe.2853 folded +
assi (attr store1 < 2.356 and attr store1 > 2.256 )
     ((attr store1 < 4.269 and attr store1 > 4.209 ) and 
      (bondedto (attr store1 < 114.151109131  and attr store1 > 113.351109131 ) or 
       bondedto (attr store1 < 66.427  and attr store1 > 65.627 ) or 
       bondedto (attr store1 < 18.7028908686  and attr store1 > 17.9028908686 ))) 
6 0.1 0.1 peak 2853 volume 6.19089 ppm1 4.239 ppm2 2.306
 
! ############### c13noe.2854 folded +
assi (attr store1 < 1.95 and attr store1 > 1.85 )
     ((attr store1 < 3.624 and attr store1 > 3.564 ) and 
      (bondedto (attr store1 < 114.156109131  and attr store1 > 113.356109131 ) or 
       bondedto (attr store1 < 66.432  and attr store1 > 65.632 ) or 
       bondedto (attr store1 < 18.7078908686  and attr store1 > 17.9078908686 ))) 
6 0.1 0.1 peak 2854 volume 12.89106 ppm1 3.594 ppm2 1.900
 
! ############### c13noe.2855 folded +
assi (attr store1 < 0.981 and attr store1 > 0.881 )
     ((attr store1 < 3.602 and attr store1 > 3.542 ) and 
      (bondedto (attr store1 < 114.114109131  and attr store1 > 113.314109131 ) or 
       bondedto (attr store1 < 66.39  and attr store1 > 65.59 ) or 
       bondedto (attr store1 < 18.6658908686  and attr store1 > 17.8658908686 ))) 
6 0.1 0.1 peak 2855 volume 30.89000 ppm1 3.572 ppm2 0.931
 
! ############### c13noe.2856 folded +
assi (attr store1 < 3.898 and attr store1 > 3.798 )
     ((attr store1 < 1.564 and attr store1 > 1.504 ) and 
      (bondedto (attr store1 < 114.113109131  and attr store1 > 113.313109131 ) or 
       bondedto (attr store1 < 66.389  and attr store1 > 65.589 ) or 
       bondedto (attr store1 < 18.6648908686  and attr store1 > 17.8648908686 ))) 
6 0.1 0.1 peak 2856 volume 15.90414 ppm1 1.534 ppm2 3.848
 
! ############### c13noe.2857 folded +
assi (attr store1 < 7.68 and attr store1 > 7.58 )
     ((attr store1 < 1.56 and attr store1 > 1.5 ) and 
      (bondedto (attr store1 < 114.126109131  and attr store1 > 113.326109131 ) or 
       bondedto (attr store1 < 66.402  and attr store1 > 65.602 ) or 
       bondedto (attr store1 < 18.6778908686  and attr store1 > 17.8778908686 ))) 
6 0.1 0.1 peak 2857 volume 12.90988 ppm1 1.530 ppm2 7.630
 
! ############### c13noe.2858 folded +
assi (attr store1 < 0.853 and attr store1 > 0.753 )
     ((attr store1 < 1.56 and attr store1 > 1.5 ) and 
      (bondedto (attr store1 < 114.124109131  and attr store1 > 113.324109131 ) or 
       bondedto (attr store1 < 66.4  and attr store1 > 65.6 ) or 
       bondedto (attr store1 < 18.6758908686  and attr store1 > 17.8758908686 ))) 
6 0.1 0.1 peak 2858 volume 31.60602 ppm1 1.530 ppm2 0.803
 
! ############### c13noe.2859 folded +
assi (attr store1 < 7.821 and attr store1 > 7.721 )
     ((attr store1 < 0.774 and attr store1 > 0.714 ) and 
      (bondedto (attr store1 < 114.151109131  and attr store1 > 113.351109131 ) or 
       bondedto (attr store1 < 66.427  and attr store1 > 65.627 ) or 
       bondedto (attr store1 < 18.7028908686  and attr store1 > 17.9028908686 ))) 
6 0.1 0.1 peak 2859 volume 8.78143 ppm1 0.744 ppm2 7.771
 
! ############### c13noe.2860 folded -
assi (attr store1 < 1.27 and attr store1 > 1.17 )
     ((attr store1 < 3.053 and attr store1 > 2.993 ) and 
      (bondedto (attr store1 < 90.2790545657  and attr store1 > 89.4790545657 ) or 
       bondedto (attr store1 < 138.003163697  and attr store1 > 137.203163697) or 
       bondedto (attr store1 < 42.5549454343  and attr store1 > 41.7549454343 ))) 
6 0.1 0.1 peak 2860 volume 9.74364 ppm1 3.023 ppm2 1.220
 
! ############### c13noe.2861 folded -
assi (attr store1 < 1.168 and attr store1 > 1.068 )
     ((attr store1 < 3.051 and attr store1 > 2.991 ) and 
      (bondedto (attr store1 < 90.2590545657  and attr store1 > 89.4590545657 ) or 
       bondedto (attr store1 < 137.983163697  and attr store1 > 137.183163697) or 
       bondedto (attr store1 < 42.5349454343  and attr store1 > 41.7349454343 ))) 
6 0.1 0.1 peak 2861 volume 25.85035 ppm1 3.021 ppm2 1.118
 
! ############### c13noe.2862 folded -
assi (attr store1 < 1.769 and attr store1 > 1.669 )
     ((attr store1 < 3.05 and attr store1 > 2.99 ) and 
      (bondedto (attr store1 < 90.2850545657  and attr store1 > 89.4850545657 ) or 
       bondedto (attr store1 < 138.009163697  and attr store1 > 137.209163697) or 
       bondedto (attr store1 < 42.5609454343  and attr store1 > 41.7609454343 ))) 
6 0.1 0.1 peak 2862 volume 233.15967 ppm1 3.020 ppm2 1.719
 
! ############### c13noe.2863 folded -
assi (attr store1 < 0.759 and attr store1 > 0.659 )
     ((attr store1 < 1.438 and attr store1 > 1.378 ) and 
      (bondedto (attr store1 < 90.3120545657  and attr store1 > 89.5120545657 ) or 
       bondedto (attr store1 < 138.036163697  and attr store1 > 137.236163697) or 
       bondedto (attr store1 < 42.5879454343  and attr store1 > 41.7879454343 ))) 
6 0.1 0.1 peak 2863 volume 12.63909 ppm1 1.408 ppm2 0.709
 
! ############### c13noe.2864 folded -
assi (attr store1 < 0.71 and attr store1 > 0.61 )
     ((attr store1 < 1.432 and attr store1 > 1.372 ) and 
      (bondedto (attr store1 < 90.3000545657  and attr store1 > 89.5000545657 ) or 
       bondedto (attr store1 < 138.024163697  and attr store1 > 137.224163697) or 
       bondedto (attr store1 < 42.5759454343  and attr store1 > 41.7759454343 ))) 
6 0.1 0.1 peak 2864 volume 10.69378 ppm1 1.402 ppm2 0.660
 
! ############### c13noe.2865 folded +
assi (attr store1 < 0.821 and attr store1 > 0.721 )
     ((attr store1 < 3.601 and attr store1 > 3.541 ) and 
      (bondedto (attr store1 < 114.055109131  and attr store1 > 113.255109131 ) or 
       bondedto (attr store1 < 66.331  and attr store1 > 65.531 ) or 
       bondedto (attr store1 < 18.6068908686  and attr store1 > 17.8068908686 ))) 
6 0.1 0.1 peak 2865 volume 40.51654 ppm1 3.571 ppm2 0.771
 
! ############### c13noe.2866 folded +
assi (attr store1 < 1.95 and attr store1 > 1.85 )
     ((attr store1 < 3.597 and attr store1 > 3.537 ) and 
      (bondedto (attr store1 < 114.037109131  and attr store1 > 113.237109131 ) or 
       bondedto (attr store1 < 66.313  and attr store1 > 65.513 ) or 
       bondedto (attr store1 < 18.5888908686  and attr store1 > 17.7888908686 ))) 
6 0.1 0.1 peak 2866 volume 17.97348 ppm1 3.567 ppm2 1.900
 
! ############### c13noe.2867 folded +
assi (attr store1 < 1.668 and attr store1 > 1.568 )
     ((attr store1 < 3.595 and attr store1 > 3.535 ) and 
      (bondedto (attr store1 < 114.028109131  and attr store1 > 113.228109131 ) or 
       bondedto (attr store1 < 66.304  and attr store1 > 65.504 ) or 
       bondedto (attr store1 < 18.5798908686  and attr store1 > 17.7798908686 ))) 
6 0.1 0.1 peak 2867 volume 19.35290 ppm1 3.565 ppm2 1.618
 
! ############### c13noe.2868 folded +
assi (attr store1 < 7.809 and attr store1 > 7.709 )
     ((attr store1 < 3.591 and attr store1 > 3.531 ) and 
      (bondedto (attr store1 < 114.040109131  and attr store1 > 113.240109131 ) or 
       bondedto (attr store1 < 66.316  and attr store1 > 65.516 ) or 
       bondedto (attr store1 < 18.5918908686  and attr store1 > 17.7918908686 ))) 
6 0.1 0.1 peak 2868 volume 12.87521 ppm1 3.561 ppm2 7.759
 
! ############### c13noe.2869 folded +
assi (attr store1 < 4.574 and attr store1 > 4.474 )
     ((attr store1 < 1.694 and attr store1 > 1.634 ) and 
      (bondedto (attr store1 < 113.996109131  and attr store1 > 113.196109131 ) or 
       bondedto (attr store1 < 66.272  and attr store1 > 65.472 ) or 
       bondedto (attr store1 < 18.5478908686  and attr store1 > 17.7478908686 ))) 
6 0.1 0.1 peak 2869 volume 10.83367 ppm1 1.664 ppm2 4.524
 
! ############### c13noe.2870 folded +
assi (attr store1 < 4.145 and attr store1 > 4.045 )
     ((attr store1 < 1.669 and attr store1 > 1.609 ) and 
      (bondedto (attr store1 < 114.022109131  and attr store1 > 113.222109131 ) or 
       bondedto (attr store1 < 66.298  and attr store1 > 65.498 ) or 
       bondedto (attr store1 < 18.5738908686  and attr store1 > 17.7738908686 ))) 
6 0.1 0.1 peak 2870 volume 29.85839 ppm1 1.639 ppm2 4.095
 
! ############### c13noe.2871 folded +
assi (attr store1 < 8.507 and attr store1 > 8.407 )
     ((attr store1 < 1.577 and attr store1 > 1.517 ) and 
      (bondedto (attr store1 < 114.007109131  and attr store1 > 113.207109131 ) or 
       bondedto (attr store1 < 66.283  and attr store1 > 65.483 ) or 
       bondedto (attr store1 < 18.5588908686  and attr store1 > 17.7588908686 ))) 
6 0.1 0.1 peak 2871 volume 56.63837 ppm1 1.547 ppm2 8.457
 
! ############### c13noe.2872 folded +
assi (attr store1 < 2.611 and attr store1 > 2.511 )
     ((attr store1 < 1.478 and attr store1 > 1.418 ) and 
      (bondedto (attr store1 < 114.052109131  and attr store1 > 113.252109131 ) or 
       bondedto (attr store1 < 66.328  and attr store1 > 65.528 ) or 
       bondedto (attr store1 < 18.6038908686  and attr store1 > 17.8038908686 ))) 
6 0.1 0.1 peak 2872 volume 9.76194 ppm1 1.448 ppm2 2.561
 
! ############### c13noe.2873 folded +
assi (attr store1 < 2.615 and attr store1 > 2.515 )
     ((attr store1 < 1.384 and attr store1 > 1.324 ) and 
      (bondedto (attr store1 < 114.052109131  and attr store1 > 113.252109131 ) or 
       bondedto (attr store1 < 66.328  and attr store1 > 65.528 ) or 
       bondedto (attr store1 < 18.6038908686  and attr store1 > 17.8038908686 ))) 
6 0.1 0.1 peak 2873 volume 38.80626 ppm1 1.354 ppm2 2.565
 
! ############### c13noe.2874 folded +
assi (attr store1 < 2.609 and attr store1 > 2.509 )
     ((attr store1 < 1.375 and attr store1 > 1.315 ) and 
      (bondedto (attr store1 < 114.070109131  and attr store1 > 113.270109131 ) or 
       bondedto (attr store1 < 66.346  and attr store1 > 65.546 ) or 
       bondedto (attr store1 < 18.6218908686  and attr store1 > 17.8218908686 ))) 
6 0.1 0.1 peak 2874 volume 29.28464 ppm1 1.345 ppm2 2.559
 
! ############### c13noe.2875 folded +
assi (attr store1 < 2.616 and attr store1 > 2.516 )
     ((attr store1 < 1.298 and attr store1 > 1.238 ) and 
      (bondedto (attr store1 < 114.054109131  and attr store1 > 113.254109131 ) or 
       bondedto (attr store1 < 66.33  and attr store1 > 65.53 ) or 
       bondedto (attr store1 < 18.6058908686  and attr store1 > 17.8058908686 ))) 
6 0.1 0.1 peak 2875 volume 9.88408 ppm1 1.268 ppm2 2.566
 
! ############### c13noe.2876 folded -
assi (attr store1 < 3.814 and attr store1 > 3.714 )
     ((attr store1 < 3.894 and attr store1 > 3.834 ) and 
      (bondedto (attr store1 < 90.1630545657  and attr store1 > 89.3630545657 ) or 
       bondedto (attr store1 < 137.887163697  and attr store1 > 137.087163697) or 
       bondedto (attr store1 < 42.4389454343  and attr store1 > 41.6389454343 ))) 
6 0.1 0.1 peak 2876 volume 42.43034 ppm1 3.864 ppm2 3.764
 
! ############### c13noe.2877 folded -
assi (attr store1 < 3.913 and attr store1 > 3.813 )
     ((attr store1 < 3.802 and attr store1 > 3.742 ) and 
      (bondedto (attr store1 < 90.1400545657  and attr store1 > 89.3400545657 ) or 
       bondedto (attr store1 < 137.864163697  and attr store1 > 137.064163697) or 
       bondedto (attr store1 < 42.4159454343  and attr store1 > 41.6159454343 ))) 
6 0.1 0.1 peak 2877 volume 34.24284 ppm1 3.772 ppm2 3.863
 
! ############### c13noe.2878 folded +
assi (attr store1 < 0.993 and attr store1 > 0.893 )
     ((attr store1 < 4.295 and attr store1 > 4.235 ) and 
      (bondedto (attr store1 < 113.945109131  and attr store1 > 113.145109131 ) or 
       bondedto (attr store1 < 66.221  and attr store1 > 65.421 ) or 
       bondedto (attr store1 < 18.4968908686  and attr store1 > 17.6968908686 ))) 
6 0.1 0.1 peak 2878 volume 9.29327 ppm1 4.265 ppm2 0.943
 
! ############### c13noe.2879 folded +
assi (attr store1 < 1.611 and attr store1 > 1.511 )
     ((attr store1 < 4.165 and attr store1 > 4.105 ) and 
      (bondedto (attr store1 < 113.963109131  and attr store1 > 113.163109131 ) or 
       bondedto (attr store1 < 66.239  and attr store1 > 65.439 ) or 
       bondedto (attr store1 < 18.5148908686  and attr store1 > 17.7148908686 ))) 
6 0.1 0.1 peak 2879 volume 11.76773 ppm1 4.135 ppm2 1.561
 
! ############### c13noe.2880 folded +
assi (attr store1 < 4.032 and attr store1 > 3.932 )
     ((attr store1 < 1.714 and attr store1 > 1.654 ) and 
      (bondedto (attr store1 < 113.967109131  and attr store1 > 113.167109131 ) or 
       bondedto (attr store1 < 66.243  and attr store1 > 65.443 ) or 
       bondedto (attr store1 < 18.5188908686  and attr store1 > 17.7188908686 ))) 
6 0.1 0.1 peak 2880 volume 12.93229 ppm1 1.684 ppm2 3.982
 
! ############### c13noe.2881 folded +
assi (attr store1 < 6.791 and attr store1 > 6.691 )
     ((attr store1 < 1.695 and attr store1 > 1.635 ) and 
      (bondedto (attr store1 < 113.947109131  and attr store1 > 113.147109131 ) or 
       bondedto (attr store1 < 66.223  and attr store1 > 65.423 ) or 
       bondedto (attr store1 < 18.4988908686  and attr store1 > 17.6988908686 ))) 
6 0.1 0.1 peak 2881 volume 8.51818 ppm1 1.665 ppm2 6.741
 
! ############### c13noe.2882 folded +
assi (attr store1 < 8.486 and attr store1 > 8.386 )
     ((attr store1 < 1.683 and attr store1 > 1.623 ) and 
      (bondedto (attr store1 < 113.969109131  and attr store1 > 113.169109131 ) or 
       bondedto (attr store1 < 66.245  and attr store1 > 65.445 ) or 
       bondedto (attr store1 < 18.5208908686  and attr store1 > 17.7208908686 ))) 
6 0.1 0.1 peak 2882 volume 31.17098 ppm1 1.653 ppm2 8.436
 
! ############### c13noe.2883 folded +
assi (attr store1 < 4.153 and attr store1 > 4.053 )
     ((attr store1 < 1.657 and attr store1 > 1.597 ) and 
      (bondedto (attr store1 < 113.988109131  and attr store1 > 113.188109131 ) or 
       bondedto (attr store1 < 66.264  and attr store1 > 65.464 ) or 
       bondedto (attr store1 < 18.5398908686  and attr store1 > 17.7398908686 ))) 
6 0.1 0.1 peak 2883 volume 27.64154 ppm1 1.627 ppm2 4.103
 
! ############### c13noe.2884 folded +
assi (attr store1 < 4.16 and attr store1 > 4.06 )
     ((attr store1 < 1.639 and attr store1 > 1.579 ) and 
      (bondedto (attr store1 < 113.966109131  and attr store1 > 113.166109131 ) or 
       bondedto (attr store1 < 66.242  and attr store1 > 65.442 ) or 
       bondedto (attr store1 < 18.5178908686  and attr store1 > 17.7178908686 ))) 
6 0.1 0.1 peak 2884 volume 28.63108 ppm1 1.609 ppm2 4.110
 
! ############### c13noe.2885 folded +
assi (attr store1 < 8.077 and attr store1 > 7.977 )
     ((attr store1 < 1.63 and attr store1 > 1.57 ) and 
      (bondedto (attr store1 < 113.917109131  and attr store1 > 113.117109131 ) or 
       bondedto (attr store1 < 66.193  and attr store1 > 65.393 ) or 
       bondedto (attr store1 < 18.4688908686  and attr store1 > 17.6688908686 ))) 
6 0.1 0.1 peak 2885 volume 26.81161 ppm1 1.600 ppm2 8.027
 
! ############### c13noe.2886 folded +
assi (attr store1 < 8.715 and attr store1 > 8.615 )
     ((attr store1 < 1.625 and attr store1 > 1.565 ) and 
      (bondedto (attr store1 < 113.941109131  and attr store1 > 113.141109131 ) or 
       bondedto (attr store1 < 66.217  and attr store1 > 65.417 ) or 
       bondedto (attr store1 < 18.4928908686  and attr store1 > 17.6928908686 ))) 
6 0.1 0.1 peak 2886 volume 35.18937 ppm1 1.595 ppm2 8.665
 
! ############### c13noe.2887 folded +
assi (attr store1 < 4.032 and attr store1 > 3.932 )
     ((attr store1 < 1.623 and attr store1 > 1.563 ) and 
      (bondedto (attr store1 < 113.918109131  and attr store1 > 113.118109131 ) or 
       bondedto (attr store1 < 66.194  and attr store1 > 65.394 ) or 
       bondedto (attr store1 < 18.4698908686  and attr store1 > 17.6698908686 ))) 
6 0.1 0.1 peak 2887 volume 52.33287 ppm1 1.593 ppm2 3.982
 
! ############### c13noe.2888 folded +
assi (attr store1 < 8.073 and attr store1 > 7.973 )
     ((attr store1 < 1.615 and attr store1 > 1.555 ) and 
      (bondedto (attr store1 < 113.926109131  and attr store1 > 113.126109131 ) or 
       bondedto (attr store1 < 66.202  and attr store1 > 65.402 ) or 
       bondedto (attr store1 < 18.4778908686  and attr store1 > 17.6778908686 ))) 
6 0.1 0.1 peak 2888 volume 27.79758 ppm1 1.585 ppm2 8.023
 
! ############### c13noe.2889 folded +
assi (attr store1 < 4.32 and attr store1 > 4.22 )
     ((attr store1 < 1.614 and attr store1 > 1.554 ) and 
      (bondedto (attr store1 < 113.921109131  and attr store1 > 113.121109131 ) or 
       bondedto (attr store1 < 66.197  and attr store1 > 65.397 ) or 
       bondedto (attr store1 < 18.4728908686  and attr store1 > 17.6728908686 ))) 
6 0.1 0.1 peak 2889 volume 30.87815 ppm1 1.584 ppm2 4.270
 
! ############### c13noe.2890 folded +
assi (attr store1 < 4.113 and attr store1 > 4.013 )
     ((attr store1 < 1.613 and attr store1 > 1.553 ) and 
      (bondedto (attr store1 < 113.927109131  and attr store1 > 113.127109131 ) or 
       bondedto (attr store1 < 66.203  and attr store1 > 65.403 ) or 
       bondedto (attr store1 < 18.4788908686  and attr store1 > 17.6788908686 ))) 
6 0.1 0.1 peak 2890 volume 28.25255 ppm1 1.583 ppm2 4.063
 
! ############### c13noe.2891 folded +
assi (attr store1 < 4.031 and attr store1 > 3.931 )
     ((attr store1 < 1.614 and attr store1 > 1.554 ) and 
      (bondedto (attr store1 < 113.926109131  and attr store1 > 113.126109131 ) or 
       bondedto (attr store1 < 66.202  and attr store1 > 65.402 ) or 
       bondedto (attr store1 < 18.4778908686  and attr store1 > 17.6778908686 ))) 
6 0.1 0.1 peak 2891 volume 54.48655 ppm1 1.584 ppm2 3.981
 
! ############### c13noe.2892 folded +
assi (attr store1 < 4.528 and attr store1 > 4.428 )
     ((attr store1 < 1.607 and attr store1 > 1.547 ) and 
      (bondedto (attr store1 < 113.938109131  and attr store1 > 113.138109131 ) or 
       bondedto (attr store1 < 66.214  and attr store1 > 65.414 ) or 
       bondedto (attr store1 < 18.4898908686  and attr store1 > 17.6898908686 ))) 
6 0.1 0.1 peak 2892 volume 11.00619 ppm1 1.577 ppm2 4.478
 
! ############### c13noe.2893 folded +
assi (attr store1 < 3.883 and attr store1 > 3.783 )
     ((attr store1 < 1.609 and attr store1 > 1.549 ) and 
      (bondedto (attr store1 < 113.961109131  and attr store1 > 113.161109131 ) or 
       bondedto (attr store1 < 66.237  and attr store1 > 65.437 ) or 
       bondedto (attr store1 < 18.5128908686  and attr store1 > 17.7128908686 ))) 
6 0.1 0.1 peak 2893 volume 9.78369 ppm1 1.579 ppm2 3.833
 
! ############### c13noe.2894 folded +
assi (attr store1 < 8.18 and attr store1 > 8.08 )
     ((attr store1 < 1.601 and attr store1 > 1.541 ) and 
      (bondedto (attr store1 < 113.966109131  and attr store1 > 113.166109131 ) or 
       bondedto (attr store1 < 66.242  and attr store1 > 65.442 ) or 
       bondedto (attr store1 < 18.5178908686  and attr store1 > 17.7178908686 ))) 
6 0.1 0.1 peak 2894 volume 19.74747 ppm1 1.571 ppm2 8.130
 
! ############### c13noe.2895 folded +
assi (attr store1 < 4.498 and attr store1 > 4.398 )
     ((attr store1 < 1.6 and attr store1 > 1.54 ) and 
      (bondedto (attr store1 < 113.912109131  and attr store1 > 113.112109131 ) or 
       bondedto (attr store1 < 66.188  and attr store1 > 65.388 ) or 
       bondedto (attr store1 < 18.4638908686  and attr store1 > 17.6638908686 ))) 
6 0.1 0.1 peak 2895 volume 10.85817 ppm1 1.570 ppm2 4.448
 
! ############### c13noe.2896 folded +
assi (attr store1 < 4.731 and attr store1 > 4.631 )
     ((attr store1 < 1.593 and attr store1 > 1.533 ) and 
      (bondedto (attr store1 < 113.971109131  and attr store1 > 113.171109131 ) or 
       bondedto (attr store1 < 66.247  and attr store1 > 65.447 ) or 
       bondedto (attr store1 < 18.5228908686  and attr store1 > 17.7228908686 ))) 
6 0.1 0.1 peak 2896 volume 7.76987 ppm1 1.563 ppm2 4.681
 
! ############### c13noe.2897 folded +
assi (attr store1 < 8.177 and attr store1 > 8.077 )
     ((attr store1 < 1.585 and attr store1 > 1.525 ) and 
      (bondedto (attr store1 < 113.956109131  and attr store1 > 113.156109131 ) or 
       bondedto (attr store1 < 66.232  and attr store1 > 65.432 ) or 
       bondedto (attr store1 < 18.5078908686  and attr store1 > 17.7078908686 ))) 
6 0.1 0.1 peak 2897 volume 20.01849 ppm1 1.555 ppm2 8.127
 
! ############### c13noe.2898 folded +
assi (attr store1 < 4.181 and attr store1 > 4.081 )
     ((attr store1 < 1.586 and attr store1 > 1.526 ) and 
      (bondedto (attr store1 < 113.986109131  and attr store1 > 113.186109131 ) or 
       bondedto (attr store1 < 66.262  and attr store1 > 65.462 ) or 
       bondedto (attr store1 < 18.5378908686  and attr store1 > 17.7378908686 ))) 
6 0.1 0.1 peak 2898 volume 60.42355 ppm1 1.556 ppm2 4.131
 
! ############### c13noe.2899 folded +
assi (attr store1 < 4.732 and attr store1 > 4.632 )
     ((attr store1 < 1.574 and attr store1 > 1.514 ) and 
      (bondedto (attr store1 < 113.964109131  and attr store1 > 113.164109131 ) or 
       bondedto (attr store1 < 66.24  and attr store1 > 65.44 ) or 
       bondedto (attr store1 < 18.5158908686  and attr store1 > 17.7158908686 ))) 
6 0.1 0.1 peak 2899 volume 8.33973 ppm1 1.544 ppm2 4.682
 
! ############### c13noe.2900 folded +
assi (attr store1 < 4.5 and attr store1 > 4.4 )
     ((attr store1 < 1.577 and attr store1 > 1.517 ) and 
      (bondedto (attr store1 < 113.942109131  and attr store1 > 113.142109131 ) or 
       bondedto (attr store1 < 66.218  and attr store1 > 65.418 ) or 
       bondedto (attr store1 < 18.4938908686  and attr store1 > 17.6938908686 ))) 
6 0.1 0.1 peak 2900 volume 8.81235 ppm1 1.547 ppm2 4.450
 
! ############### c13noe.2901 folded +
assi (attr store1 < 4.18 and attr store1 > 4.08 )
     ((attr store1 < 1.497 and attr store1 > 1.437 ) and 
      (bondedto (attr store1 < 113.986109131  and attr store1 > 113.186109131 ) or 
       bondedto (attr store1 < 66.262  and attr store1 > 65.462 ) or 
       bondedto (attr store1 < 18.5378908686  and attr store1 > 17.7378908686 ))) 
6 0.1 0.1 peak 2901 volume 14.39346 ppm1 1.467 ppm2 4.130
 
! ############### c13noe.2902 folded -
assi (attr store1 < 3.726 and attr store1 > 3.626 )
     ((attr store1 < 3.868 and attr store1 > 3.808 ) and 
      (bondedto (attr store1 < 90.0680545657  and attr store1 > 89.2680545657 ) or 
       bondedto (attr store1 < 137.792163697  and attr store1 > 136.992163697) or 
       bondedto (attr store1 < 42.3439454343  and attr store1 > 41.5439454343 ))) 
6 0.1 0.1 peak 2902 volume 26.06909 ppm1 3.838 ppm2 3.676
 
! ############### c13noe.2903 folded -
assi (attr store1 < 3.884 and attr store1 > 3.784 )
     ((attr store1 < 3.7 and attr store1 > 3.64 ) and 
      (bondedto (attr store1 < 90.0620545657  and attr store1 > 89.2620545657 ) or 
       bondedto (attr store1 < 137.786163697  and attr store1 > 136.986163697) or 
       bondedto (attr store1 < 42.3379454343  and attr store1 > 41.5379454343 ))) 
6 0.1 0.1 peak 2903 volume 28.68416 ppm1 3.670 ppm2 3.834
 
! ############### c13noe.2904 folded -
assi (attr store1 < 2.597 and attr store1 > 2.497 )
     ((attr store1 < 3.079 and attr store1 > 3.019 ) and 
      (bondedto (attr store1 < 90.0690545657  and attr store1 > 89.2690545657 ) or 
       bondedto (attr store1 < 137.793163697  and attr store1 > 136.993163697) or 
       bondedto (attr store1 < 42.3449454343  and attr store1 > 41.5449454343 ))) 
6 0.1 0.1 peak 2904 volume 20.10942 ppm1 3.049 ppm2 2.547
 
! ############### c13noe.2905 folded -
assi (attr store1 < 8.01 and attr store1 > 7.91 )
     ((attr store1 < 3.064 and attr store1 > 3.004 ) and 
      (bondedto (attr store1 < 90.0770545657  and attr store1 > 89.2770545657 ) or 
       bondedto (attr store1 < 137.801163697  and attr store1 > 137.001163697) or 
       bondedto (attr store1 < 42.3529454343  and attr store1 > 41.5529454343 ))) 
6 0.1 0.1 peak 2905 volume 9.19676 ppm1 3.034 ppm2 7.960
 
! ############### c13noe.2906 folded -
assi (attr store1 < 3.082 and attr store1 > 2.982 )
     ((attr store1 < 2.582 and attr store1 > 2.522 ) and 
      (bondedto (attr store1 < 90.0950545657  and attr store1 > 89.2950545657 ) or 
       bondedto (attr store1 < 137.819163697  and attr store1 > 137.019163697) or 
       bondedto (attr store1 < 42.3709454343  and attr store1 > 41.5709454343 ))) 
6 0.1 0.1 peak 2906 volume 24.40161 ppm1 2.552 ppm2 3.032
 
! ############### c13noe.2907 folded -
assi (attr store1 < 8.013 and attr store1 > 7.913 )
     ((attr store1 < 2.574 and attr store1 > 2.514 ) and 
      (bondedto (attr store1 < 90.0770545657  and attr store1 > 89.2770545657 ) or 
       bondedto (attr store1 < 137.801163697  and attr store1 > 137.001163697) or 
       bondedto (attr store1 < 42.3529454343  and attr store1 > 41.5529454343 ))) 
6 0.1 0.1 peak 2907 volume 9.12179 ppm1 2.544 ppm2 7.963
 
! ############### c13noe.2908 folded -
assi (attr store1 < 1.624 and attr store1 > 1.524 )
     ((attr store1 < 2.478 and attr store1 > 2.418 ) and 
      (bondedto (attr store1 < 90.0830545657  and attr store1 > 89.2830545657 ) or 
       bondedto (attr store1 < 137.807163697  and attr store1 > 137.007163697) or 
       bondedto (attr store1 < 42.3589454343  and attr store1 > 41.5589454343 ))) 
6 0.1 0.1 peak 2908 volume 12.52644 ppm1 2.448 ppm2 1.574
 
! ############### c13noe.2909 folded -
assi (attr store1 < 1.508 and attr store1 > 1.408 )
     ((attr store1 < 2.47 and attr store1 > 2.41 ) and 
      (bondedto (attr store1 < 90.1050545657  and attr store1 > 89.3050545657 ) or 
       bondedto (attr store1 < 137.829163697  and attr store1 > 137.029163697) or 
       bondedto (attr store1 < 42.3809454343  and attr store1 > 41.5809454343 ))) 
6 0.1 0.1 peak 2909 volume 9.03069 ppm1 2.440 ppm2 1.458
 
! ############### c13noe.2910 folded -
assi (attr store1 < 8.061 and attr store1 > 7.961 )
     ((attr store1 < 2.466 and attr store1 > 2.406 ) and 
      (bondedto (attr store1 < 90.0900545657  and attr store1 > 89.2900545657 ) or 
       bondedto (attr store1 < 137.814163697  and attr store1 > 137.014163697) or 
       bondedto (attr store1 < 42.3659454343  and attr store1 > 41.5659454343 ))) 
6 0.1 0.1 peak 2910 volume 7.4926 ppm1 2.436 ppm2 8.011
 
! ############### c13noe.2911 folded -
assi (attr store1 < 0.937 and attr store1 > 0.837 )
     ((attr store1 < 2.428 and attr store1 > 2.368 ) and 
      (bondedto (attr store1 < 90.0980545657  and attr store1 > 89.2980545657 ) or 
       bondedto (attr store1 < 137.822163697  and attr store1 > 137.022163697) or 
       bondedto (attr store1 < 42.3739454343  and attr store1 > 41.5739454343 ))) 
6 0.1 0.1 peak 2911 volume 7.671 ppm1 2.398 ppm2 0.887
 
! ############### c13noe.2912 folded -
assi (attr store1 < 1.121 and attr store1 > 1.021 )
     ((attr store1 < 2.416 and attr store1 > 2.356 ) and 
      (bondedto (attr store1 < 90.0430545657  and attr store1 > 89.2430545657 ) or 
       bondedto (attr store1 < 137.767163697  and attr store1 > 136.967163697) or 
       bondedto (attr store1 < 42.3189454343  and attr store1 > 41.5189454343 ))) 
6 0.1 0.1 peak 2912 volume 13.97202 ppm1 2.386 ppm2 1.071
 
! ############### c13noe.2913 folded -
assi (attr store1 < 7.868 and attr store1 > 7.768 )
     ((attr store1 < 1.949 and attr store1 > 1.889 ) and 
      (bondedto (attr store1 < 90.0820545657  and attr store1 > 89.2820545657 ) or 
       bondedto (attr store1 < 137.806163697  and attr store1 > 137.006163697) or 
       bondedto (attr store1 < 42.3579454343  and attr store1 > 41.5579454343 ))) 
6 0.1 0.1 peak 2913 volume 29.4781 ppm1 1.919 ppm2 7.818
 
! ############### c13noe.2914 folded -
assi (attr store1 < 4.253 and attr store1 > 4.153 )
     ((attr store1 < 1.949 and attr store1 > 1.889 ) and 
      (bondedto (attr store1 < 90.0800545657  and attr store1 > 89.2800545657 ) or 
       bondedto (attr store1 < 137.804163697  and attr store1 > 137.004163697) or 
       bondedto (attr store1 < 42.3559454343  and attr store1 > 41.5559454343 ))) 
6 0.1 0.1 peak 2914 volume 22.3181 ppm1 1.919 ppm2 4.203
 
! ############### c13noe.2915 folded -
assi (attr store1 < 7.862 and attr store1 > 7.762 )
     ((attr store1 < 1.727 and attr store1 > 1.667 ) and 
      (bondedto (attr store1 < 90.0580545657  and attr store1 > 89.2580545657 ) or 
       bondedto (attr store1 < 137.782163697  and attr store1 > 136.982163697) or 
       bondedto (attr store1 < 42.3339454343  and attr store1 > 41.5339454343 ))) 
6 0.1 0.1 peak 2915 volume 26.38375 ppm1 1.697 ppm2 7.812
 
! ############### c13noe.2916 folded -
assi (attr store1 < 4.249 and attr store1 > 4.149 )
     ((attr store1 < 1.724 and attr store1 > 1.664 ) and 
      (bondedto (attr store1 < 90.0590545657  and attr store1 > 89.2590545657 ) or 
       bondedto (attr store1 < 137.783163697  and attr store1 > 136.983163697) or 
       bondedto (attr store1 < 42.3349454343  and attr store1 > 41.5349454343 ))) 
6 0.1 0.1 peak 2916 volume 24.07131 ppm1 1.694 ppm2 4.199
 
! ############### c13noe.2917 folded +
assi (attr store1 < 2.015 and attr store1 > 1.915 )
     ((attr store1 < 4.494 and attr store1 > 4.434 ) and 
      (bondedto (attr store1 < 113.861109131  and attr store1 > 113.061109131 ) or 
       bondedto (attr store1 < 66.137  and attr store1 > 65.337 ) or 
       bondedto (attr store1 < 18.4128908686  and attr store1 > 17.6128908686 ))) 
6 0.1 0.1 peak 2917 volume 24.20859 ppm1 4.464 ppm2 1.965
 
! ############### c13noe.2918 folded +
assi (attr store1 < 8.442 and attr store1 > 8.342 )
     ((attr store1 < 2.164 and attr store1 > 2.104 ) and 
      (bondedto (attr store1 < 113.821109131  and attr store1 > 113.021109131 ) or 
       bondedto (attr store1 < 66.097  and attr store1 > 65.297 ) or 
       bondedto (attr store1 < 18.3728908686  and attr store1 > 17.5728908686 ))) 
6 0.1 0.1 peak 2918 volume 9.77853 ppm1 2.134 ppm2 8.392
 
! ############### c13noe.2919 folded +
assi (attr store1 < 8.43 and attr store1 > 8.33 )
     ((attr store1 < 2.136 and attr store1 > 2.076 ) and 
      (bondedto (attr store1 < 113.816109131  and attr store1 > 113.016109131 ) or 
       bondedto (attr store1 < 66.092  and attr store1 > 65.292 ) or 
       bondedto (attr store1 < 18.3678908686  and attr store1 > 17.5678908686 ))) 
6 0.1 0.1 peak 2919 volume 7.21989 ppm1 2.106 ppm2 8.380
 
! ############### c13noe.2920 folded +
assi (attr store1 < 3.646 and attr store1 > 3.546 )
     ((attr store1 < 2.125 and attr store1 > 2.065 ) and 
      (bondedto (attr store1 < 113.826109131  and attr store1 > 113.026109131 ) or 
       bondedto (attr store1 < 66.102  and attr store1 > 65.302 ) or 
       bondedto (attr store1 < 18.3778908686  and attr store1 > 17.5778908686 ))) 
6 0.1 0.1 peak 2920 volume 14.96997 ppm1 2.095 ppm2 3.596
 
! ############### c13noe.2921 folded +
assi (attr store1 < 3.987 and attr store1 > 3.887 )
     ((attr store1 < 1.958 and attr store1 > 1.898 ) and 
      (bondedto (attr store1 < 113.824109131  and attr store1 > 113.024109131 ) or 
       bondedto (attr store1 < 66.1  and attr store1 > 65.3 ) or 
       bondedto (attr store1 < 18.3758908686  and attr store1 > 17.5758908686 ))) 
6 0.1 0.1 peak 2921 volume 12.02489 ppm1 1.928 ppm2 3.937
 
! ############### c13noe.2922 folded +
assi (attr store1 < 3.641 and attr store1 > 3.541 )
     ((attr store1 < 1.958 and attr store1 > 1.898 ) and 
      (bondedto (attr store1 < 113.806109131  and attr store1 > 113.006109131 ) or 
       bondedto (attr store1 < 66.082  and attr store1 > 65.282 ) or 
       bondedto (attr store1 < 18.3578908686  and attr store1 > 17.5578908686 ))) 
6 0.1 0.1 peak 2922 volume 13.04578 ppm1 1.928 ppm2 3.591
 
! ############### c13noe.2923 folded +
assi (attr store1 < 4.084 and attr store1 > 3.984 )
     ((attr store1 < 1.957 and attr store1 > 1.897 ) and 
      (bondedto (attr store1 < 113.817109131  and attr store1 > 113.017109131 ) or 
       bondedto (attr store1 < 66.093  and attr store1 > 65.293 ) or 
       bondedto (attr store1 < 18.3688908686  and attr store1 > 17.5688908686 ))) 
6 0.1 0.1 peak 2923 volume 18.05936 ppm1 1.927 ppm2 4.034
 
! ############### c13noe.2924 folded +
assi (attr store1 < 0.658 and attr store1 > 0.558 )
     ((attr store1 < 1.956 and attr store1 > 1.896 ) and 
      (bondedto (attr store1 < 113.808109131  and attr store1 > 113.008109131 ) or 
       bondedto (attr store1 < 66.084  and attr store1 > 65.284 ) or 
       bondedto (attr store1 < 18.3598908686  and attr store1 > 17.5598908686 ))) 
6 0.1 0.1 peak 2924 volume 24.73053 ppm1 1.926 ppm2 0.608
 
! ############### c13noe.2925 folded +
assi (attr store1 < 4.099 and attr store1 > 3.999 )
     ((attr store1 < 1.909 and attr store1 > 1.849 ) and 
      (bondedto (attr store1 < 113.806109131  and attr store1 > 113.006109131 ) or 
       bondedto (attr store1 < 66.082  and attr store1 > 65.282 ) or 
       bondedto (attr store1 < 18.3578908686  and attr store1 > 17.5578908686 ))) 
6 0.1 0.1 peak 2925 volume 17.65919 ppm1 1.879 ppm2 4.049
 
! ############### c13noe.2926 folded +
assi (attr store1 < 8.533 and attr store1 > 8.433 )
     ((attr store1 < 1.906 and attr store1 > 1.846 ) and 
      (bondedto (attr store1 < 113.844109131  and attr store1 > 113.044109131 ) or 
       bondedto (attr store1 < 66.12  and attr store1 > 65.32 ) or 
       bondedto (attr store1 < 18.3958908686  and attr store1 > 17.5958908686 ))) 
6 0.1 0.1 peak 2926 volume 9.25262 ppm1 1.876 ppm2 8.483
 
! ############### c13noe.2927 folded +
assi (attr store1 < 3.982 and attr store1 > 3.882 )
     ((attr store1 < 1.907 and attr store1 > 1.847 ) and 
      (bondedto (attr store1 < 113.814109131  and attr store1 > 113.014109131 ) or 
       bondedto (attr store1 < 66.09  and attr store1 > 65.29 ) or 
       bondedto (attr store1 < 18.3658908686  and attr store1 > 17.5658908686 ))) 
6 0.1 0.1 peak 2927 volume 13.69448 ppm1 1.877 ppm2 3.932
 
! ############### c13noe.2928 folded +
assi (attr store1 < 3.656 and attr store1 > 3.556 )
     ((attr store1 < 1.907 and attr store1 > 1.847 ) and 
      (bondedto (attr store1 < 113.820109131  and attr store1 > 113.020109131 ) or 
       bondedto (attr store1 < 66.096  and attr store1 > 65.296 ) or 
       bondedto (attr store1 < 18.3718908686  and attr store1 > 17.5718908686 ))) 
6 0.1 0.1 peak 2928 volume 11.17057 ppm1 1.877 ppm2 3.606
 
! ############### c13noe.2929 folded +
assi (attr store1 < 0.654 and attr store1 > 0.554 )
     ((attr store1 < 1.907 and attr store1 > 1.847 ) and 
      (bondedto (attr store1 < 113.824109131  and attr store1 > 113.024109131 ) or 
       bondedto (attr store1 < 66.1  and attr store1 > 65.3 ) or 
       bondedto (attr store1 < 18.3758908686  and attr store1 > 17.5758908686 ))) 
6 0.1 0.1 peak 2929 volume 26.86313 ppm1 1.877 ppm2 0.604
 
! ############### c13noe.2930 folded +
assi (attr store1 < 4.32 and attr store1 > 4.22 )
     ((attr store1 < 1.628 and attr store1 > 1.568 ) and 
      (bondedto (attr store1 < 113.874109131  and attr store1 > 113.074109131 ) or 
       bondedto (attr store1 < 66.15  and attr store1 > 65.35 ) or 
       bondedto (attr store1 < 18.4258908686  and attr store1 > 17.6258908686 ))) 
6 0.1 0.1 peak 2930 volume 30.07507 ppm1 1.598 ppm2 4.270
 
! ############### c13noe.2931 folded +
assi (attr store1 < 4.498 and attr store1 > 4.398 )
     ((attr store1 < 1.613 and attr store1 > 1.553 ) and 
      (bondedto (attr store1 < 113.859109131  and attr store1 > 113.059109131 ) or 
       bondedto (attr store1 < 66.135  and attr store1 > 65.335 ) or 
       bondedto (attr store1 < 18.4108908686  and attr store1 > 17.6108908686 ))) 
6 0.1 0.1 peak 2931 volume 11.57215 ppm1 1.583 ppm2 4.448
 
! ############### c13noe.2932 folded +
assi (attr store1 < 4.404 and attr store1 > 4.304 )
     ((attr store1 < 1.615 and attr store1 > 1.555 ) and 
      (bondedto (attr store1 < 113.837109131  and attr store1 > 113.037109131 ) or 
       bondedto (attr store1 < 66.113  and attr store1 > 65.313 ) or 
       bondedto (attr store1 < 18.3888908686  and attr store1 > 17.5888908686 ))) 
6 0.1 0.1 peak 2932 volume 41.73880 ppm1 1.585 ppm2 4.354
 
! ############### c13noe.2933 folded +
assi (attr store1 < 7.964 and attr store1 > 7.864 )
     ((attr store1 < 0.917 and attr store1 > 0.857 ) and 
      (bondedto (attr store1 < 113.823109131  and attr store1 > 113.023109131 ) or 
       bondedto (attr store1 < 66.099  and attr store1 > 65.299 ) or 
       bondedto (attr store1 < 18.3748908686  and attr store1 > 17.5748908686 ))) 
6 0.1 0.1 peak 2933 volume 15.94035 ppm1 0.887 ppm2 7.914
 
! ############### c13noe.2934 folded +
assi (attr store1 < 8.244 and attr store1 > 8.144 )
     ((attr store1 < 0.912 and attr store1 > 0.852 ) and 
      (bondedto (attr store1 < 113.833109131  and attr store1 > 113.033109131 ) or 
       bondedto (attr store1 < 66.109  and attr store1 > 65.309 ) or 
       bondedto (attr store1 < 18.3848908686  and attr store1 > 17.5848908686 ))) 
6 0.1 0.1 peak 2934 volume 9.79971 ppm1 0.882 ppm2 8.194
 
! ############### c13noe.2935 folded +
assi (attr store1 < 4.089 and attr store1 > 3.989 )
     ((attr store1 < 0.889 and attr store1 > 0.829 ) and 
      (bondedto (attr store1 < 113.831109131  and attr store1 > 113.031109131 ) or 
       bondedto (attr store1 < 66.107  and attr store1 > 65.307 ) or 
       bondedto (attr store1 < 18.3828908686  and attr store1 > 17.5828908686 ))) 
6 0.1 0.1 peak 2935 volume 13.47566 ppm1 0.859 ppm2 4.039
 
! ############### c13noe.2936 folded +
assi (attr store1 < 7.968 and attr store1 > 7.868 )
     ((attr store1 < 0.885 and attr store1 > 0.825 ) and 
      (bondedto (attr store1 < 113.820109131  and attr store1 > 113.020109131 ) or 
       bondedto (attr store1 < 66.096  and attr store1 > 65.296 ) or 
       bondedto (attr store1 < 18.3718908686  and attr store1 > 17.5718908686 ))) 
6 0.1 0.1 peak 2936 volume 14.59072 ppm1 0.855 ppm2 7.918
 
! ############### c13noe.2937 folded +
assi (attr store1 < 4.199 and attr store1 > 4.099 )
     ((attr store1 < 0.884 and attr store1 > 0.824 ) and 
      (bondedto (attr store1 < 113.831109131  and attr store1 > 113.031109131 ) or 
       bondedto (attr store1 < 66.107  and attr store1 > 65.307 ) or 
       bondedto (attr store1 < 18.3828908686  and attr store1 > 17.5828908686 ))) 
6 0.1 0.1 peak 2937 volume 11.09224 ppm1 0.854 ppm2 4.149
 
! ############### c13noe.2938 folded +
assi (attr store1 < 4.09 and attr store1 > 3.99 )
     ((attr store1 < 0.88 and attr store1 > 0.82 ) and 
      (bondedto (attr store1 < 113.835109131  and attr store1 > 113.035109131 ) or 
       bondedto (attr store1 < 66.111  and attr store1 > 65.311 ) or 
       bondedto (attr store1 < 18.3868908686  and attr store1 > 17.5868908686 ))) 
6 0.1 0.1 peak 2938 volume 12.07531 ppm1 0.850 ppm2 4.040
 
! ############### c13noe.2939 folded -
assi (attr store1 < 2.717 and attr store1 > 2.617 )
     ((attr store1 < 2.792 and attr store1 > 2.732 ) and 
      (bondedto (attr store1 < 89.9580545657  and attr store1 > 89.1580545657 ) or 
       bondedto (attr store1 < 137.682163697  and attr store1 > 136.882163697) or 
       bondedto (attr store1 < 42.2339454343  and attr store1 > 41.4339454343 ))) 
6 0.1 0.1 peak 2939 volume 11.31087 ppm1 2.762 ppm2 2.667
 
! ############### c13noe.2940 folded -
assi (attr store1 < 2.814 and attr store1 > 2.714 )
     ((attr store1 < 2.702 and attr store1 > 2.642 ) and 
      (bondedto (attr store1 < 89.9930545657  and attr store1 > 89.1930545657 ) or 
       bondedto (attr store1 < 137.717163697  and attr store1 > 136.917163697) or 
       bondedto (attr store1 < 42.2689454343  and attr store1 > 41.4689454343 ))) 
6 0.1 0.1 peak 2940 volume 15.69308 ppm1 2.672 ppm2 2.764
 
! ############### c13noe.2941 folded -
assi (attr store1 < 7.806 and attr store1 > 7.706 )
     ((attr store1 < 2.406 and attr store1 > 2.346 ) and 
      (bondedto (attr store1 < 89.9790545657  and attr store1 > 89.1790545657 ) or 
       bondedto (attr store1 < 137.703163697  and attr store1 > 136.903163697) or 
       bondedto (attr store1 < 42.2549454343  and attr store1 > 41.4549454343 ))) 
6 0.1 0.1 peak 2941 volume 7.70438 ppm1 2.376 ppm2 7.756
 
! ############### c13noe.2942 folded -
assi (attr store1 < 4.188 and attr store1 > 4.088 )
     ((attr store1 < 1.868 and attr store1 > 1.808 ) and 
      (bondedto (attr store1 < 89.9620545657  and attr store1 > 89.1620545657 ) or 
       bondedto (attr store1 < 137.686163697  and attr store1 > 136.886163697) or 
       bondedto (attr store1 < 42.2379454343  and attr store1 > 41.4379454343 ))) 
6 0.1 0.1 peak 2942 volume 18.51181 ppm1 1.838 ppm2 4.138
 
! ############### c13noe.2943 folded +
assi (attr store1 < 4.188 and attr store1 > 4.088 )
     ((attr store1 < 2.167 and attr store1 > 2.107 ) and 
      (bondedto (attr store1 < 113.786109131  and attr store1 > 112.986109131 ) or 
       bondedto (attr store1 < 66.062  and attr store1 > 65.262 ) or 
       bondedto (attr store1 < 18.3378908686  and attr store1 > 17.5378908686 ))) 
6 0.1 0.1 peak 2943 volume 9.71434 ppm1 2.137 ppm2 4.138
 
! ############### c13noe.2944 folded +
assi (attr store1 < 3.65 and attr store1 > 3.55 )
     ((attr store1 < 2.167 and attr store1 > 2.107 ) and 
      (bondedto (attr store1 < 113.793109131  and attr store1 > 112.993109131 ) or 
       bondedto (attr store1 < 66.069  and attr store1 > 65.269 ) or 
       bondedto (attr store1 < 18.3448908686  and attr store1 > 17.5448908686 ))) 
6 0.1 0.1 peak 2944 volume 12.43265 ppm1 2.137 ppm2 3.600
 
! ############### c13noe.2945 folded +
assi (attr store1 < 8.433 and attr store1 > 8.333 )
     ((attr store1 < 2.124 and attr store1 > 2.064 ) and 
      (bondedto (attr store1 < 113.799109131  and attr store1 > 112.999109131 ) or 
       bondedto (attr store1 < 66.075  and attr store1 > 65.275 ) or 
       bondedto (attr store1 < 18.3508908686  and attr store1 > 17.5508908686 ))) 
6 0.1 0.1 peak 2945 volume 7.54574 ppm1 2.094 ppm2 8.383
 
! ############### c13noe.2946 folded +
assi (attr store1 < 4.185 and attr store1 > 4.085 )
     ((attr store1 < 2.124 and attr store1 > 2.064 ) and 
      (bondedto (attr store1 < 113.754109131  and attr store1 > 112.954109131 ) or 
       bondedto (attr store1 < 66.03  and attr store1 > 65.23 ) or 
       bondedto (attr store1 < 18.3058908686  and attr store1 > 17.5058908686 ))) 
6 0.1 0.1 peak 2946 volume 10.93084 ppm1 2.094 ppm2 4.135
 
! ############### c13noe.2947 folded +
assi (attr store1 < 8.551 and attr store1 > 8.451 )
     ((attr store1 < 1.963 and attr store1 > 1.903 ) and 
      (bondedto (attr store1 < 113.786109131  and attr store1 > 112.986109131 ) or 
       bondedto (attr store1 < 66.062  and attr store1 > 65.262 ) or 
       bondedto (attr store1 < 18.3378908686  and attr store1 > 17.5378908686 ))) 
6 0.1 0.1 peak 2947 volume 10.14784 ppm1 1.933 ppm2 8.501
 
! ############### c13noe.2948 folded +
assi (attr store1 < 4.731 and attr store1 > 4.631 )
     ((attr store1 < 1.951 and attr store1 > 1.891 ) and 
      (bondedto (attr store1 < 113.782109131  and attr store1 > 112.982109131 ) or 
       bondedto (attr store1 < 66.058  and attr store1 > 65.258 ) or 
       bondedto (attr store1 < 18.3338908686  and attr store1 > 17.5338908686 ))) 
6 0.1 0.1 peak 2948 volume 8.66534 ppm1 1.921 ppm2 4.681
 
! ############### c13noe.2949 folded +
assi (attr store1 < 3.98 and attr store1 > 3.88 )
     ((attr store1 < 1.951 and attr store1 > 1.891 ) and 
      (bondedto (attr store1 < 113.788109131  and attr store1 > 112.988109131 ) or 
       bondedto (attr store1 < 66.064  and attr store1 > 65.264 ) or 
       bondedto (attr store1 < 18.3398908686  and attr store1 > 17.5398908686 ))) 
6 0.1 0.1 peak 2949 volume 12.16108 ppm1 1.921 ppm2 3.930
 
! ############### c13noe.2950 folded +
assi (attr store1 < 7.966 and attr store1 > 7.866 )
     ((attr store1 < 1.615 and attr store1 > 1.555 ) and 
      (bondedto (attr store1 < 113.776109131  and attr store1 > 112.976109131 ) or 
       bondedto (attr store1 < 66.052  and attr store1 > 65.252 ) or 
       bondedto (attr store1 < 18.3278908686  and attr store1 > 17.5278908686 ))) 
6 0.1 0.1 peak 2950 volume 30.69845 ppm1 1.585 ppm2 7.916
 
! ############### c13noe.2951 folded +
assi (attr store1 < 7.966 and attr store1 > 7.866 )
     ((attr store1 < 1.574 and attr store1 > 1.514 ) and 
      (bondedto (attr store1 < 113.800109131  and attr store1 > 113.000109131 ) or 
       bondedto (attr store1 < 66.076  and attr store1 > 65.276 ) or 
       bondedto (attr store1 < 18.3518908686  and attr store1 > 17.5518908686 ))) 
6 0.1 0.1 peak 2951 volume 27.26844 ppm1 1.544 ppm2 7.916
 
! ############### c13noe.2952 folded +
assi (attr store1 < 4.4 and attr store1 > 4.3 )
     ((attr store1 < 1.575 and attr store1 > 1.515 ) and 
      (bondedto (attr store1 < 113.778109131  and attr store1 > 112.978109131 ) or 
       bondedto (attr store1 < 66.054  and attr store1 > 65.254 ) or 
       bondedto (attr store1 < 18.3298908686  and attr store1 > 17.5298908686 ))) 
6 0.1 0.1 peak 2952 volume 35.80247 ppm1 1.545 ppm2 4.350
 
! ############### c13noe.2953 folded +
assi (attr store1 < 8.055 and attr store1 > 7.955 )
     ((attr store1 < 1.561 and attr store1 > 1.501 ) and 
      (bondedto (attr store1 < 113.757109131  and attr store1 > 112.957109131 ) or 
       bondedto (attr store1 < 66.033  and attr store1 > 65.233 ) or 
       bondedto (attr store1 < 18.3088908686  and attr store1 > 17.5088908686 ))) 
6 0.1 0.1 peak 2953 volume 14.44185 ppm1 1.531 ppm2 8.005
 
! ############### c13noe.2954 folded +
assi (attr store1 < 7.947 and attr store1 > 7.847 )
     ((attr store1 < 1.045 and attr store1 > 0.985 ) and 
      (bondedto (attr store1 < 113.713109131  and attr store1 > 112.913109131 ) or 
       bondedto (attr store1 < 65.989  and attr store1 > 65.189 ) or 
       bondedto (attr store1 < 18.2648908686  and attr store1 > 17.4648908686 ))) 
6 0.1 0.1 peak 2954 volume 11.19514 ppm1 1.015 ppm2 7.897
 
! ############### c13noe.2955 folded +
assi (attr store1 < 4.189 and attr store1 > 4.089 )
     ((attr store1 < 1.043 and attr store1 > 0.983 ) and 
      (bondedto (attr store1 < 113.721109131  and attr store1 > 112.921109131 ) or 
       bondedto (attr store1 < 65.997  and attr store1 > 65.197 ) or 
       bondedto (attr store1 < 18.2728908686  and attr store1 > 17.4728908686 ))) 
6 0.1 0.1 peak 2955 volume 36.67755 ppm1 1.013 ppm2 4.139
 
! ############### c13noe.2956 folded +
assi (attr store1 < 4.393 and attr store1 > 4.293 )
     ((attr store1 < 0.987 and attr store1 > 0.927 ) and 
      (bondedto (attr store1 < 113.733109131  and attr store1 > 112.933109131 ) or 
       bondedto (attr store1 < 66.009  and attr store1 > 65.209 ) or 
       bondedto (attr store1 < 18.2848908686  and attr store1 > 17.4848908686 ))) 
6 0.1 0.1 peak 2956 volume 10.95905 ppm1 0.957 ppm2 4.343
 
! ############### c13noe.2957 folded +
assi (attr store1 < 4.088 and attr store1 > 3.988 )
     ((attr store1 < 0.986 and attr store1 > 0.926 ) and 
      (bondedto (attr store1 < 113.731109131  and attr store1 > 112.931109131 ) or 
       bondedto (attr store1 < 66.007  and attr store1 > 65.207 ) or 
       bondedto (attr store1 < 18.2828908686  and attr store1 > 17.4828908686 ))) 
6 0.1 0.1 peak 2957 volume 19.59199 ppm1 0.956 ppm2 4.038
 
! ############### c13noe.2958 folded +
assi (attr store1 < 8.375 and attr store1 > 8.275 )
     ((attr store1 < 0.974 and attr store1 > 0.914 ) and 
      (bondedto (attr store1 < 113.728109131  and attr store1 > 112.928109131 ) or 
       bondedto (attr store1 < 66.004  and attr store1 > 65.204 ) or 
       bondedto (attr store1 < 18.2798908686  and attr store1 > 17.4798908686 ))) 
6 0.1 0.1 peak 2958 volume 8.14975 ppm1 0.944 ppm2 8.325
 
! ############### c13noe.2959 folded +
assi (attr store1 < 8.106 and attr store1 > 8.006 )
     ((attr store1 < 0.977 and attr store1 > 0.917 ) and 
      (bondedto (attr store1 < 113.762109131  and attr store1 > 112.962109131 ) or 
       bondedto (attr store1 < 66.038  and attr store1 > 65.238 ) or 
       bondedto (attr store1 < 18.3138908686  and attr store1 > 17.5138908686 ))) 
6 0.1 0.1 peak 2959 volume 10.65173 ppm1 0.947 ppm2 8.056
 
! ############### c13noe.2960 folded +
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 0.976 and attr store1 > 0.916 ) and 
      (bondedto (attr store1 < 113.721109131  and attr store1 > 112.921109131 ) or 
       bondedto (attr store1 < 65.997  and attr store1 > 65.197 ) or 
       bondedto (attr store1 < 18.2728908686  and attr store1 > 17.4728908686 ))) 
6 0.1 0.1 peak 2960 volume 10.29962 ppm1 0.946 ppm2 4.686
 
! ############### c13noe.2961 folded +
assi (attr store1 < 4.384 and attr store1 > 4.284 )
     ((attr store1 < 0.932 and attr store1 > 0.872 ) and 
      (bondedto (attr store1 < 113.746109131  and attr store1 > 112.946109131 ) or 
       bondedto (attr store1 < 66.022  and attr store1 > 65.222 ) or 
       bondedto (attr store1 < 18.2978908686  and attr store1 > 17.4978908686 ))) 
6 0.1 0.1 peak 2961 volume 10.69074 ppm1 0.902 ppm2 4.334
 
! ############### c13noe.2962 folded +
assi (attr store1 < 4.311 and attr store1 > 4.211 )
     ((attr store1 < 0.931 and attr store1 > 0.871 ) and 
      (bondedto (attr store1 < 113.723109131  and attr store1 > 112.923109131 ) or 
       bondedto (attr store1 < 65.999  and attr store1 > 65.199 ) or 
       bondedto (attr store1 < 18.2748908686  and attr store1 > 17.4748908686 ))) 
6 0.1 0.1 peak 2962 volume 16.80387 ppm1 0.901 ppm2 4.261
 
! ############### c13noe.2963 folded +
assi (attr store1 < 4.093 and attr store1 > 3.993 )
     ((attr store1 < 0.931 and attr store1 > 0.871 ) and 
      (bondedto (attr store1 < 113.763109131  and attr store1 > 112.963109131 ) or 
       bondedto (attr store1 < 66.039  and attr store1 > 65.239 ) or 
       bondedto (attr store1 < 18.3148908686  and attr store1 > 17.5148908686 ))) 
6 0.1 0.1 peak 2963 volume 18.43214 ppm1 0.901 ppm2 4.043
 
! ############### c13noe.2964 folded +
assi (attr store1 < 3.879 and attr store1 > 3.779 )
     ((attr store1 < 0.932 and attr store1 > 0.872 ) and 
      (bondedto (attr store1 < 113.752109131  and attr store1 > 112.952109131 ) or 
       bondedto (attr store1 < 66.028  and attr store1 > 65.228 ) or 
       bondedto (attr store1 < 18.3038908686  and attr store1 > 17.5038908686 ))) 
6 0.1 0.1 peak 2964 volume 9.27249 ppm1 0.902 ppm2 3.829
 
! ############### c13noe.2965 folded +
assi (attr store1 < 8.373 and attr store1 > 8.273 )
     ((attr store1 < 0.928 and attr store1 > 0.868 ) and 
      (bondedto (attr store1 < 113.759109131  and attr store1 > 112.959109131 ) or 
       bondedto (attr store1 < 66.035  and attr store1 > 65.235 ) or 
       bondedto (attr store1 < 18.3108908686  and attr store1 > 17.5108908686 ))) 
6 0.1 0.1 peak 2965 volume 8.84167 ppm1 0.898 ppm2 8.323
 
! ############### c13noe.2966 folded +
assi (attr store1 < 4.477 and attr store1 > 4.377 )
     ((attr store1 < 0.929 and attr store1 > 0.869 ) and 
      (bondedto (attr store1 < 113.722109131  and attr store1 > 112.922109131 ) or 
       bondedto (attr store1 < 65.998  and attr store1 > 65.198 ) or 
       bondedto (attr store1 < 18.2738908686  and attr store1 > 17.4738908686 ))) 
6 0.1 0.1 peak 2966 volume 8.12308 ppm1 0.899 ppm2 4.427
 
! ############### c13noe.2967 folded +
assi (attr store1 < 4.209 and attr store1 > 4.109 )
     ((attr store1 < 0.927 and attr store1 > 0.867 ) and 
      (bondedto (attr store1 < 113.760109131  and attr store1 > 112.960109131 ) or 
       bondedto (attr store1 < 66.036  and attr store1 > 65.236 ) or 
       bondedto (attr store1 < 18.3118908686  and attr store1 > 17.5118908686 ))) 
6 0.1 0.1 peak 2967 volume 40.60982 ppm1 0.897 ppm2 4.159
 
! ############### c13noe.2968 folded +
assi (attr store1 < 4.046 and attr store1 > 3.946 )
     ((attr store1 < 0.927 and attr store1 > 0.867 ) and 
      (bondedto (attr store1 < 113.759109131  and attr store1 > 112.959109131 ) or 
       bondedto (attr store1 < 66.035  and attr store1 > 65.235 ) or 
       bondedto (attr store1 < 18.3108908686  and attr store1 > 17.5108908686 ))) 
6 0.1 0.1 peak 2968 volume 20.24147 ppm1 0.897 ppm2 3.996
 
! ############### c13noe.2969 folded +
assi (attr store1 < 8.1 and attr store1 > 8.0 )
     ((attr store1 < 0.922 and attr store1 > 0.862 ) and 
      (bondedto (attr store1 < 113.789109131  and attr store1 > 112.989109131 ) or 
       bondedto (attr store1 < 66.065  and attr store1 > 65.265 ) or 
       bondedto (attr store1 < 18.3408908686  and attr store1 > 17.5408908686 ))) 
6 0.1 0.1 peak 2969 volume 12.66686 ppm1 0.892 ppm2 8.050
 
! ############### c13noe.2970 folded +
assi (attr store1 < 4.737 and attr store1 > 4.637 )
     ((attr store1 < 0.924 and attr store1 > 0.864 ) and 
      (bondedto (attr store1 < 113.773109131  and attr store1 > 112.973109131 ) or 
       bondedto (attr store1 < 66.049  and attr store1 > 65.249 ) or 
       bondedto (attr store1 < 18.3248908686  and attr store1 > 17.5248908686 ))) 
6 0.1 0.1 peak 2970 volume 11.91138 ppm1 0.894 ppm2 4.687
 
! ############### c13noe.2971 folded +
assi (attr store1 < 4.108 and attr store1 > 4.008 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 113.770109131  and attr store1 > 112.970109131 ) or 
       bondedto (attr store1 < 66.046  and attr store1 > 65.246 ) or 
       bondedto (attr store1 < 18.3218908686  and attr store1 > 17.5218908686 ))) 
6 0.1 0.1 peak 2971 volume 17.62126 ppm1 0.888 ppm2 4.058
 
! ############### c13noe.2972 folded +
assi (attr store1 < 4.004 and attr store1 > 3.904 )
     ((attr store1 < 0.884 and attr store1 > 0.824 ) and 
      (bondedto (attr store1 < 113.798109131  and attr store1 > 112.998109131 ) or 
       bondedto (attr store1 < 66.074  and attr store1 > 65.274 ) or 
       bondedto (attr store1 < 18.3498908686  and attr store1 > 17.5498908686 ))) 
6 0.1 0.1 peak 2972 volume 14.28579 ppm1 0.854 ppm2 3.954
 
! ############### c13noe.2973 folded +
assi (attr store1 < 4.208 and attr store1 > 4.108 )
     ((attr store1 < 0.86 and attr store1 > 0.8 ) and 
      (bondedto (attr store1 < 113.781109131  and attr store1 > 112.981109131 ) or 
       bondedto (attr store1 < 66.057  and attr store1 > 65.257 ) or 
       bondedto (attr store1 < 18.3328908686  and attr store1 > 17.5328908686 ))) 
6 0.1 0.1 peak 2973 volume 10.46692 ppm1 0.830 ppm2 4.158
 
! ############### c13noe.2974 folded -
assi (attr store1 < 7.325 and attr store1 > 7.225 )
     ((attr store1 < 1.877 and attr store1 > 1.817 ) and 
      (bondedto (attr store1 < 89.8710545657  and attr store1 > 89.0710545657 ) or 
       bondedto (attr store1 < 137.595163697  and attr store1 > 136.795163697) or 
       bondedto (attr store1 < 42.1469454343  and attr store1 > 41.3469454343 ))) 
6 0.1 0.1 peak 2974 volume 6.98821 ppm1 1.847 ppm2 7.275
 
! ############### c13noe.2975 folded -
assi (attr store1 < 4.273 and attr store1 > 4.173 )
     ((attr store1 < 1.874 and attr store1 > 1.814 ) and 
      (bondedto (attr store1 < 89.9330545657  and attr store1 > 89.1330545657 ) or 
       bondedto (attr store1 < 137.657163697  and attr store1 > 136.857163697) or 
       bondedto (attr store1 < 42.2089454343  and attr store1 > 41.4089454343 ))) 
6 0.1 0.1 peak 2975 volume 13.2663 ppm1 1.844 ppm2 4.223
 
! ############### c13noe.2976 folded -
assi (attr store1 < 7.807 and attr store1 > 7.707 )
     ((attr store1 < 1.867 and attr store1 > 1.807 ) and 
      (bondedto (attr store1 < 89.8950545657  and attr store1 > 89.0950545657 ) or 
       bondedto (attr store1 < 137.619163697  and attr store1 > 136.819163697) or 
       bondedto (attr store1 < 42.1709454343  and attr store1 > 41.3709454343 ))) 
6 0.1 0.1 peak 2976 volume 18.01695 ppm1 1.837 ppm2 7.757
 
! ############### c13noe.2977 folded -
assi (attr store1 < 4.177 and attr store1 > 4.077 )
     ((attr store1 < 1.71 and attr store1 > 1.65 ) and 
      (bondedto (attr store1 < 89.8750545657  and attr store1 > 89.0750545657 ) or 
       bondedto (attr store1 < 137.599163697  and attr store1 > 136.799163697) or 
       bondedto (attr store1 < 42.1509454343  and attr store1 > 41.3509454343 ))) 
6 0.1 0.1 peak 2977 volume 13.85709 ppm1 1.680 ppm2 4.127
 
! ############### c13noe.2978 folded -
assi (attr store1 < 7.816 and attr store1 > 7.716 )
     ((attr store1 < 1.701 and attr store1 > 1.641 ) and 
      (bondedto (attr store1 < 89.9260545657  and attr store1 > 89.1260545657 ) or 
       bondedto (attr store1 < 137.650163697  and attr store1 > 136.850163697) or 
       bondedto (attr store1 < 42.2019454343  and attr store1 > 41.4019454343 ))) 
6 0.1 0.1 peak 2978 volume 21.10608 ppm1 1.671 ppm2 7.766
 
! ############### c13noe.2979 folded -
assi (attr store1 < 7.322 and attr store1 > 7.222 )
     ((attr store1 < 1.699 and attr store1 > 1.639 ) and 
      (bondedto (attr store1 < 89.8980545657  and attr store1 > 89.0980545657 ) or 
       bondedto (attr store1 < 137.622163697  and attr store1 > 136.822163697) or 
       bondedto (attr store1 < 42.1739454343  and attr store1 > 41.3739454343 ))) 
6 0.1 0.1 peak 2979 volume 6.97647 ppm1 1.669 ppm2 7.272
 
! ############### c13noe.2980 folded +
assi (attr store1 < 1.531 and attr store1 > 1.431 )
     ((attr store1 < 4.038 and attr store1 > 3.978 ) and 
      (bondedto (attr store1 < 113.665109131  and attr store1 > 112.865109131 ) or 
       bondedto (attr store1 < 65.941  and attr store1 > 65.141 ) or 
       bondedto (attr store1 < 18.2168908686  and attr store1 > 17.4168908686 ))) 
6 0.1 0.1 peak 2980 volume 8.70179 ppm1 4.008 ppm2 1.481
 
! ############### c13noe.2981 folded +
assi (attr store1 < 7.6 and attr store1 > 7.5 )
     ((attr store1 < 1.545 and attr store1 > 1.485 ) and 
      (bondedto (attr store1 < 113.637109131  and attr store1 > 112.837109131 ) or 
       bondedto (attr store1 < 65.913  and attr store1 > 65.113 ) or 
       bondedto (attr store1 < 18.1888908686  and attr store1 > 17.3888908686 ))) 
6 0.1 0.1 peak 2981 volume 14.43871 ppm1 1.515 ppm2 7.550
 
! ############### c13noe.2982 folded +
assi (attr store1 < 4.404 and attr store1 > 4.304 )
     ((attr store1 < 1.544 and attr store1 > 1.484 ) and 
      (bondedto (attr store1 < 113.680109131  and attr store1 > 112.880109131 ) or 
       bondedto (attr store1 < 65.956  and attr store1 > 65.156 ) or 
       bondedto (attr store1 < 18.2318908686  and attr store1 > 17.4318908686 ))) 
6 0.1 0.1 peak 2982 volume 31.34036 ppm1 1.514 ppm2 4.354
 
! ############### c13noe.2983 folded +
assi (attr store1 < 4.06 and attr store1 > 3.96 )
     ((attr store1 < 1.543 and attr store1 > 1.483 ) and 
      (bondedto (attr store1 < 113.667109131  and attr store1 > 112.867109131 ) or 
       bondedto (attr store1 < 65.943  and attr store1 > 65.143 ) or 
       bondedto (attr store1 < 18.2188908686  and attr store1 > 17.4188908686 ))) 
6 0.1 0.1 peak 2983 volume 47.92247 ppm1 1.513 ppm2 4.010
 
! ############### c13noe.2984 folded +
assi (attr store1 < 7.957 and attr store1 > 7.857 )
     ((attr store1 < 1.492 and attr store1 > 1.432 ) and 
      (bondedto (attr store1 < 113.647109131  and attr store1 > 112.847109131 ) or 
       bondedto (attr store1 < 65.923  and attr store1 > 65.123 ) or 
       bondedto (attr store1 < 18.1988908686  and attr store1 > 17.3988908686 ))) 
6 0.1 0.1 peak 2984 volume 40.45158 ppm1 1.462 ppm2 7.907
 
! ############### c13noe.2985 folded +
assi (attr store1 < 7.597 and attr store1 > 7.497 )
     ((attr store1 < 1.492 and attr store1 > 1.432 ) and 
      (bondedto (attr store1 < 113.632109131  and attr store1 > 112.832109131 ) or 
       bondedto (attr store1 < 65.908  and attr store1 > 65.108 ) or 
       bondedto (attr store1 < 18.1838908686  and attr store1 > 17.3838908686 ))) 
6 0.1 0.1 peak 2985 volume 13.34398 ppm1 1.462 ppm2 7.547
 
! ############### c13noe.2986 folded +
assi (attr store1 < 4.408 and attr store1 > 4.308 )
     ((attr store1 < 1.493 and attr store1 > 1.433 ) and 
      (bondedto (attr store1 < 113.655109131  and attr store1 > 112.855109131 ) or 
       bondedto (attr store1 < 65.931  and attr store1 > 65.131 ) or 
       bondedto (attr store1 < 18.2068908686  and attr store1 > 17.4068908686 ))) 
6 0.1 0.1 peak 2986 volume 27.82409 ppm1 1.463 ppm2 4.358
 
! ############### c13noe.2987 folded +
assi (attr store1 < 4.063 and attr store1 > 3.963 )
     ((attr store1 < 1.491 and attr store1 > 1.431 ) and 
      (bondedto (attr store1 < 113.647109131  and attr store1 > 112.847109131 ) or 
       bondedto (attr store1 < 65.923  and attr store1 > 65.123 ) or 
       bondedto (attr store1 < 18.1988908686  and attr store1 > 17.3988908686 ))) 
6 0.1 0.1 peak 2987 volume 42.41014 ppm1 1.461 ppm2 4.013
 
! ############### c13noe.2988 folded +
assi (attr store1 < 8.178 and attr store1 > 8.078 )
     ((attr store1 < 1.046 and attr store1 > 0.986 ) and 
      (bondedto (attr store1 < 113.672109131  and attr store1 > 112.872109131 ) or 
       bondedto (attr store1 < 65.948  and attr store1 > 65.148 ) or 
       bondedto (attr store1 < 18.2238908686  and attr store1 > 17.4238908686 ))) 
6 0.1 0.1 peak 2988 volume 8.34171 ppm1 1.016 ppm2 8.128
 
! ############### c13noe.2989 folded +
assi (attr store1 < 4.488 and attr store1 > 4.388 )
     ((attr store1 < 1.045 and attr store1 > 0.985 ) and 
      (bondedto (attr store1 < 113.668109131  and attr store1 > 112.868109131 ) or 
       bondedto (attr store1 < 65.944  and attr store1 > 65.144 ) or 
       bondedto (attr store1 < 18.2198908686  and attr store1 > 17.4198908686 ))) 
6 0.1 0.1 peak 2989 volume 10.30902 ppm1 1.015 ppm2 4.438
 
! ############### c13noe.2990 folded +
assi (attr store1 < 8.184 and attr store1 > 8.084 )
     ((attr store1 < 0.993 and attr store1 > 0.933 ) and 
      (bondedto (attr store1 < 113.699109131  and attr store1 > 112.899109131 ) or 
       bondedto (attr store1 < 65.975  and attr store1 > 65.175 ) or 
       bondedto (attr store1 < 18.2508908686  and attr store1 > 17.4508908686 ))) 
6 0.1 0.1 peak 2990 volume 11.54178 ppm1 0.963 ppm2 8.134
 
! ############### c13noe.2991 folded +
assi (attr store1 < 7.944 and attr store1 > 7.844 )
     ((attr store1 < 0.994 and attr store1 > 0.934 ) and 
      (bondedto (attr store1 < 113.706109131  and attr store1 > 112.906109131 ) or 
       bondedto (attr store1 < 65.982  and attr store1 > 65.182 ) or 
       bondedto (attr store1 < 18.2578908686  and attr store1 > 17.4578908686 ))) 
6 0.1 0.1 peak 2991 volume 14.59330 ppm1 0.964 ppm2 7.894
 
! ############### c13noe.2992 folded +
assi (attr store1 < 4.487 and attr store1 > 4.387 )
     ((attr store1 < 0.989 and attr store1 > 0.929 ) and 
      (bondedto (attr store1 < 113.701109131  and attr store1 > 112.901109131 ) or 
       bondedto (attr store1 < 65.977  and attr store1 > 65.177 ) or 
       bondedto (attr store1 < 18.2528908686  and attr store1 > 17.4528908686 ))) 
6 0.1 0.1 peak 2992 volume 13.28884 ppm1 0.959 ppm2 4.437
 
! ############### c13noe.2993 folded +
assi (attr store1 < 4.321 and attr store1 > 4.221 )
     ((attr store1 < 0.986 and attr store1 > 0.926 ) and 
      (bondedto (attr store1 < 113.710109131  and attr store1 > 112.910109131 ) or 
       bondedto (attr store1 < 65.986  and attr store1 > 65.186 ) or 
       bondedto (attr store1 < 18.2618908686  and attr store1 > 17.4618908686 ))) 
6 0.1 0.1 peak 2993 volume 19.46574 ppm1 0.956 ppm2 4.271
 
! ############### c13noe.2994 folded +
assi (attr store1 < 4.192 and attr store1 > 4.092 )
     ((attr store1 < 0.988 and attr store1 > 0.928 ) and 
      (bondedto (attr store1 < 113.707109131  and attr store1 > 112.907109131 ) or 
       bondedto (attr store1 < 65.983  and attr store1 > 65.183 ) or 
       bondedto (attr store1 < 18.2588908686  and attr store1 > 17.4588908686 ))) 
6 0.1 0.1 peak 2994 volume 44.39029 ppm1 0.958 ppm2 4.142
 
! ############### c13noe.2995 folded +
assi (attr store1 < 4.053 and attr store1 > 3.953 )
     ((attr store1 < 0.983 and attr store1 > 0.923 ) and 
      (bondedto (attr store1 < 113.708109131  and attr store1 > 112.908109131 ) or 
       bondedto (attr store1 < 65.984  and attr store1 > 65.184 ) or 
       bondedto (attr store1 < 18.2598908686  and attr store1 > 17.4598908686 ))) 
6 0.1 0.1 peak 2995 volume 21.56328 ppm1 0.953 ppm2 4.003
 
! ############### c13noe.2996 folded +
assi (attr store1 < 0.982 and attr store1 > 0.882 )
     ((attr store1 < 0.031 and attr store1 > -0.029 ) and 
      (bondedto (attr store1 < 113.661109131  and attr store1 > 112.861109131 ) or 
       bondedto (attr store1 < 65.937  and attr store1 > 65.137 ) or 
       bondedto (attr store1 < 18.2128908686  and attr store1 > 17.4128908686 ))) 
6 0.1 0.1 peak 2996 volume 22.31708 ppm1 0.001 ppm2 0.932
 
! ############### c13noe.2997 folded -
assi (attr store1 < 0.98 and attr store1 > 0.88 )
     ((attr store1 < 4.059 and attr store1 > 3.999 ) and 
      (bondedto (attr store1 < 89.8250545657  and attr store1 > 89.0250545657 ) or 
       bondedto (attr store1 < 137.549163697  and attr store1 > 136.749163697) or 
       bondedto (attr store1 < 42.1009454343  and attr store1 > 41.3009454343 ))) 
6 0.1 0.1 peak 2997 volume 15.29555 ppm1 4.029 ppm2 0.930
 
! ############### c13noe.2998 folded -
assi (attr store1 < 1.549 and attr store1 > 1.449 )
     ((attr store1 < 2.415 and attr store1 > 2.355 ) and 
      (bondedto (attr store1 < 89.8380545657  and attr store1 > 89.0380545657 ) or 
       bondedto (attr store1 < 137.562163697  and attr store1 > 136.762163697) or 
       bondedto (attr store1 < 42.1139454343  and attr store1 > 41.3139454343 ))) 
6 0.1 0.1 peak 2998 volume 15.49103 ppm1 2.385 ppm2 1.499
 
! ############### c13noe.2999 folded -
assi (attr store1 < 4.174 and attr store1 > 4.074 )
     ((attr store1 < 1.886 and attr store1 > 1.826 ) and 
      (bondedto (attr store1 < 89.8180545657  and attr store1 > 89.0180545657 ) or 
       bondedto (attr store1 < 137.542163697  and attr store1 > 136.742163697) or 
       bondedto (attr store1 < 42.0939454343  and attr store1 > 41.2939454343 ))) 
6 0.1 0.1 peak 2999 volume 14.1194 ppm1 1.856 ppm2 4.124
 
! ############### c13noe.3000 folded -
assi (attr store1 < 1.251 and attr store1 > 1.151 )
     ((attr store1 < 1.482 and attr store1 > 1.422 ) and 
      (bondedto (attr store1 < 89.7740545657  and attr store1 > 88.9740545657 ) or 
       bondedto (attr store1 < 137.498163697  and attr store1 > 136.698163697) or 
       bondedto (attr store1 < 42.0499454343  and attr store1 > 41.2499454343 ))) 
6 0.1 0.1 peak 3000 volume 15.72041 ppm1 1.452 ppm2 1.201
 
! ############### c13noe.3001 folded +
assi (attr store1 < 3.915 and attr store1 > 3.815 )
     ((attr store1 < 3.805 and attr store1 > 3.745 ) and 
      (bondedto (attr store1 < 113.581109131  and attr store1 > 112.781109131 ) or 
       bondedto (attr store1 < 65.857  and attr store1 > 65.057 ) or 
       bondedto (attr store1 < 18.1328908686  and attr store1 > 17.3328908686 ))) 
6 0.1 0.1 peak 3001 volume 28.43471 ppm1 3.775 ppm2 3.865
 
! ############### c13noe.3002 folded +
assi (attr store1 < 3.07 and attr store1 > 2.97 )
     ((attr store1 < 1.747 and attr store1 > 1.687 ) and 
      (bondedto (attr store1 < 113.583109131  and attr store1 > 112.783109131 ) or 
       bondedto (attr store1 < 65.859  and attr store1 > 65.059 ) or 
       bondedto (attr store1 < 18.1348908686  and attr store1 > 17.3348908686 ))) 
6 0.1 0.1 peak 3002 volume 15.73742 ppm1 1.717 ppm2 3.020
 
! ############### c13noe.3003 folded +
assi (attr store1 < 7.96 and attr store1 > 7.86 )
     ((attr store1 < 1.547 and attr store1 > 1.487 ) and 
      (bondedto (attr store1 < 113.592109131  and attr store1 > 112.792109131 ) or 
       bondedto (attr store1 < 65.868  and attr store1 > 65.068 ) or 
       bondedto (attr store1 < 18.1438908686  and attr store1 > 17.3438908686 ))) 
6 0.1 0.1 peak 3003 volume 40.79037 ppm1 1.517 ppm2 7.910
 
! ############### c13noe.3004 folded -
assi (attr store1 < 4.168 and attr store1 > 4.068 )
     ((attr store1 < 1.904 and attr store1 > 1.844 ) and 
      (bondedto (attr store1 < 89.5840545657  and attr store1 > 88.7840545657 ) or 
       bondedto (attr store1 < 137.308163697  and attr store1 > 136.508163697) or 
       bondedto (attr store1 < 41.8599454343  and attr store1 > 41.0599454343 ))) 
6 0.1 0.1 peak 3004 volume 11.48296 ppm1 1.874 ppm2 4.118
 
! ############### c13noe.3005 folded -
assi (attr store1 < 4.114 and attr store1 > 4.014 )
     ((attr store1 < 1.882 and attr store1 > 1.822 ) and 
      (bondedto (attr store1 < 89.5900545657  and attr store1 > 88.7900545657 ) or 
       bondedto (attr store1 < 137.314163697  and attr store1 > 136.514163697) or 
       bondedto (attr store1 < 41.8659454343  and attr store1 > 41.0659454343 ))) 
6 0.1 0.1 peak 3005 volume 10.05163 ppm1 1.852 ppm2 4.064
 
! ############### c13noe.3006 folded +
assi (attr store1 < 3.717 and attr store1 > 3.617 )
     ((attr store1 < 3.867 and attr store1 > 3.807 ) and 
      (bondedto (attr store1 < 113.403109131  and attr store1 > 112.603109131 ) or 
       bondedto (attr store1 < 65.679  and attr store1 > 64.879 ) or 
       bondedto (attr store1 < 17.9548908686  and attr store1 > 17.1548908686 ))) 
6 0.1 0.1 peak 3006 volume 23.11543 ppm1 3.837 ppm2 3.667
 
! ############### c13noe.3007 folded +
assi (attr store1 < 3.885 and attr store1 > 3.785 )
     ((attr store1 < 3.699 and attr store1 > 3.639 ) and 
      (bondedto (attr store1 < 113.381109131  and attr store1 > 112.581109131 ) or 
       bondedto (attr store1 < 65.657  and attr store1 > 64.857 ) or 
       bondedto (attr store1 < 17.9328908686  and attr store1 > 17.1328908686 ))) 
6 0.1 0.1 peak 3007 volume 20.28666 ppm1 3.669 ppm2 3.835
 
! ############### c13noe.3008 folded +
assi (attr store1 < 8.472 and attr store1 > 8.372 )
     ((attr store1 < 1.619 and attr store1 > 1.559 ) and 
      (bondedto (attr store1 < 113.417109131  and attr store1 > 112.617109131 ) or 
       bondedto (attr store1 < 65.693  and attr store1 > 64.893 ) or 
       bondedto (attr store1 < 17.9688908686  and attr store1 > 17.1688908686 ))) 
6 0.1 0.1 peak 3008 volume 14.13911 ppm1 1.589 ppm2 8.422
 
! ############### c13noe.3009 folded +
assi (attr store1 < 7.976 and attr store1 > 7.876 )
     ((attr store1 < 1.619 and attr store1 > 1.559 ) and 
      (bondedto (attr store1 < 113.384109131  and attr store1 > 112.584109131 ) or 
       bondedto (attr store1 < 65.66  and attr store1 > 64.86 ) or 
       bondedto (attr store1 < 17.9358908686  and attr store1 > 17.1358908686 ))) 
6 0.1 0.1 peak 3009 volume 33.16929 ppm1 1.589 ppm2 7.926
 
! ############### c13noe.3010 folded +
assi (attr store1 < 4.333 and attr store1 > 4.233 )
     ((attr store1 < 1.619 and attr store1 > 1.559 ) and 
      (bondedto (attr store1 < 113.350109131  and attr store1 > 112.550109131 ) or 
       bondedto (attr store1 < 65.626  and attr store1 > 64.826 ) or 
       bondedto (attr store1 < 17.9018908686  and attr store1 > 17.1018908686 ))) 
6 0.1 0.1 peak 3010 volume 48.21832 ppm1 1.589 ppm2 4.283
 
! ############### c13noe.3011 folded +
assi (attr store1 < 4.238 and attr store1 > 4.138 )
     ((attr store1 < 1.62 and attr store1 > 1.56 ) and 
      (bondedto (attr store1 < 113.383109131  and attr store1 > 112.583109131 ) or 
       bondedto (attr store1 < 65.659  and attr store1 > 64.859 ) or 
       bondedto (attr store1 < 17.9348908686  and attr store1 > 17.1348908686 ))) 
6 0.1 0.1 peak 3011 volume 19.06801 ppm1 1.590 ppm2 4.188
 
! ############### c13noe.3012 folded +
assi (attr store1 < 3.55 and attr store1 > 3.45 )
     ((attr store1 < 1.619 and attr store1 > 1.559 ) and 
      (bondedto (attr store1 < 113.344109131  and attr store1 > 112.544109131 ) or 
       bondedto (attr store1 < 65.62  and attr store1 > 64.82 ) or 
       bondedto (attr store1 < 17.8958908686  and attr store1 > 17.0958908686 ))) 
6 0.1 0.1 peak 3012 volume 16.64683 ppm1 1.589 ppm2 3.500
 
! ############### c13noe.3013 folded +
assi (attr store1 < 0.835 and attr store1 > 0.735 )
     ((attr store1 < 1.621 and attr store1 > 1.561 ) and 
      (bondedto (attr store1 < 113.377109131  and attr store1 > 112.577109131 ) or 
       bondedto (attr store1 < 65.653  and attr store1 > 64.853 ) or 
       bondedto (attr store1 < 17.9288908686  and attr store1 > 17.1288908686 ))) 
6 0.1 0.1 peak 3013 volume 9.33087 ppm1 1.591 ppm2 0.785
 
! ############### c13noe.3014 folded +
assi (attr store1 < 1.087 and attr store1 > 0.987 )
     ((attr store1 < 1.616 and attr store1 > 1.556 ) and 
      (bondedto (attr store1 < 113.405109131  and attr store1 > 112.605109131 ) or 
       bondedto (attr store1 < 65.681  and attr store1 > 64.881 ) or 
       bondedto (attr store1 < 17.9568908686  and attr store1 > 17.1568908686 ))) 
6 0.1 0.1 peak 3014 volume 28.79991 ppm1 1.586 ppm2 1.037
 
! ############### c13noe.3015 folded +
assi (attr store1 < 1.018 and attr store1 > 0.918 )
     ((attr store1 < 1.615 and attr store1 > 1.555 ) and 
      (bondedto (attr store1 < 113.396109131  and attr store1 > 112.596109131 ) or 
       bondedto (attr store1 < 65.672  and attr store1 > 64.872 ) or 
       bondedto (attr store1 < 17.9478908686  and attr store1 > 17.1478908686 ))) 
6 0.1 0.1 peak 3015 volume 15.22451 ppm1 1.585 ppm2 0.968
 
! ############### c13noe.3016 folded +
assi (attr store1 < 1.075 and attr store1 > 0.975 )
     ((attr store1 < 1.579 and attr store1 > 1.519 ) and 
      (bondedto (attr store1 < 113.392109131  and attr store1 > 112.592109131 ) or 
       bondedto (attr store1 < 65.668  and attr store1 > 64.868 ) or 
       bondedto (attr store1 < 17.9438908686  and attr store1 > 17.1438908686 ))) 
6 0.1 0.1 peak 3016 volume 20.27848 ppm1 1.549 ppm2 1.025
 
! ############### c13noe.3017 folded +
assi (attr store1 < 7.761 and attr store1 > 7.661 )
     ((attr store1 < 1.573 and attr store1 > 1.513 ) and 
      (bondedto (attr store1 < 113.365109131  and attr store1 > 112.565109131 ) or 
       bondedto (attr store1 < 65.641  and attr store1 > 64.841 ) or 
       bondedto (attr store1 < 17.9168908686  and attr store1 > 17.1168908686 ))) 
6 0.1 0.1 peak 3017 volume 6.45354 ppm1 1.543 ppm2 7.711
 
! ############### c13noe.3018 folded +
assi (attr store1 < 8.572 and attr store1 > 8.472 )
     ((attr store1 < 1.571 and attr store1 > 1.511 ) and 
      (bondedto (attr store1 < 113.413109131  and attr store1 > 112.613109131 ) or 
       bondedto (attr store1 < 65.689  and attr store1 > 64.889 ) or 
       bondedto (attr store1 < 17.9648908686  and attr store1 > 17.1648908686 ))) 
6 0.1 0.1 peak 3018 volume 11.73758 ppm1 1.541 ppm2 8.522
 
! ############### c13noe.3019 folded +
assi (attr store1 < 3.545 and attr store1 > 3.445 )
     ((attr store1 < 1.564 and attr store1 > 1.504 ) and 
      (bondedto (attr store1 < 113.341109131  and attr store1 > 112.541109131 ) or 
       bondedto (attr store1 < 65.617  and attr store1 > 64.817 ) or 
       bondedto (attr store1 < 17.8928908686  and attr store1 > 17.0928908686 ))) 
6 0.1 0.1 peak 3019 volume 23.05153 ppm1 1.534 ppm2 3.495
 
! ############### c13noe.3020 folded +
assi (attr store1 < 1.021 and attr store1 > 0.921 )
     ((attr store1 < 1.564 and attr store1 > 1.504 ) and 
      (bondedto (attr store1 < 113.390109131  and attr store1 > 112.590109131 ) or 
       bondedto (attr store1 < 65.666  and attr store1 > 64.866 ) or 
       bondedto (attr store1 < 17.9418908686  and attr store1 > 17.1418908686 ))) 
6 0.1 0.1 peak 3020 volume 28.70970 ppm1 1.534 ppm2 0.971
 
! ############### c13noe.3021 folded +
assi (attr store1 < 1.09 and attr store1 > 0.99 )
     ((attr store1 < 1.556 and attr store1 > 1.496 ) and 
      (bondedto (attr store1 < 113.377109131  and attr store1 > 112.577109131 ) or 
       bondedto (attr store1 < 65.653  and attr store1 > 64.853 ) or 
       bondedto (attr store1 < 17.9288908686  and attr store1 > 17.1288908686 ))) 
6 0.1 0.1 peak 3021 volume 28.63381 ppm1 1.526 ppm2 1.040
 
! ############### c13noe.3022 folded +
assi (attr store1 < 0.831 and attr store1 > 0.731 )
     ((attr store1 < 1.56 and attr store1 > 1.5 ) and 
      (bondedto (attr store1 < 113.349109131  and attr store1 > 112.549109131 ) or 
       bondedto (attr store1 < 65.625  and attr store1 > 64.825 ) or 
       bondedto (attr store1 < 17.9008908686  and attr store1 > 17.1008908686 ))) 
6 0.1 0.1 peak 3022 volume 10.22871 ppm1 1.530 ppm2 0.781
 
! ############### c13noe.3023 folded +
assi (attr store1 < 8.467 and attr store1 > 8.367 )
     ((attr store1 < 1.554 and attr store1 > 1.494 ) and 
      (bondedto (attr store1 < 113.391109131  and attr store1 > 112.591109131 ) or 
       bondedto (attr store1 < 65.667  and attr store1 > 64.867 ) or 
       bondedto (attr store1 < 17.9428908686  and attr store1 > 17.1428908686 ))) 
6 0.1 0.1 peak 3023 volume 13.43999 ppm1 1.524 ppm2 8.417
 
! ############### c13noe.3024 folded +
assi (attr store1 < 7.749 and attr store1 > 7.649 )
     ((attr store1 < 1.507 and attr store1 > 1.447 ) and 
      (bondedto (attr store1 < 113.351109131  and attr store1 > 112.551109131 ) or 
       bondedto (attr store1 < 65.627  and attr store1 > 64.827 ) or 
       bondedto (attr store1 < 17.9028908686  and attr store1 > 17.1028908686 ))) 
6 0.1 0.1 peak 3024 volume 6.24367 ppm1 1.477 ppm2 7.699
 
! ############### c13noe.3025 folded +
assi (attr store1 < 8.576 and attr store1 > 8.476 )
     ((attr store1 < 1.504 and attr store1 > 1.444 ) and 
      (bondedto (attr store1 < 113.350109131  and attr store1 > 112.550109131 ) or 
       bondedto (attr store1 < 65.626  and attr store1 > 64.826 ) or 
       bondedto (attr store1 < 17.9018908686  and attr store1 > 17.1018908686 ))) 
6 0.1 0.1 peak 3025 volume 11.10432 ppm1 1.474 ppm2 8.526
 
! ############### c13noe.3026 folded +
assi (attr store1 < 1.09 and attr store1 > 0.99 )
     ((attr store1 < 1.505 and attr store1 > 1.445 ) and 
      (bondedto (attr store1 < 113.386109131  and attr store1 > 112.586109131 ) or 
       bondedto (attr store1 < 65.662  and attr store1 > 64.862 ) or 
       bondedto (attr store1 < 17.9378908686  and attr store1 > 17.1378908686 ))) 
6 0.1 0.1 peak 3026 volume 13.35451 ppm1 1.475 ppm2 1.040
 
! ############### c13noe.3027 folded +
assi (attr store1 < 1.018 and attr store1 > 0.918 )
     ((attr store1 < 1.505 and attr store1 > 1.445 ) and 
      (bondedto (attr store1 < 113.359109131  and attr store1 > 112.559109131 ) or 
       bondedto (attr store1 < 65.635  and attr store1 > 64.835 ) or 
       bondedto (attr store1 < 17.9108908686  and attr store1 > 17.1108908686 ))) 
6 0.1 0.1 peak 3027 volume 28.01926 ppm1 1.475 ppm2 0.968
 
! ############### c13noe.3028 folded +
assi (attr store1 < 8.889 and attr store1 > 8.789 )
     ((attr store1 < 1.012 and attr store1 > 0.952 ) and 
      (bondedto (attr store1 < 113.393109131  and attr store1 > 112.593109131 ) or 
       bondedto (attr store1 < 65.669  and attr store1 > 64.869 ) or 
       bondedto (attr store1 < 17.9448908686  and attr store1 > 17.1448908686 ))) 
6 0.1 0.1 peak 3028 volume 8.11774 ppm1 0.982 ppm2 8.839
 
! ############### c13noe.3029 folded +
assi (attr store1 < 8.404 and attr store1 > 8.304 )
     ((attr store1 < 1.01 and attr store1 > 0.95 ) and 
      (bondedto (attr store1 < 113.390109131  and attr store1 > 112.590109131 ) or 
       bondedto (attr store1 < 65.666  and attr store1 > 64.866 ) or 
       bondedto (attr store1 < 17.9418908686  and attr store1 > 17.1418908686 ))) 
6 0.1 0.1 peak 3029 volume 10.20429 ppm1 0.980 ppm2 8.354
 
! ############### c13noe.3030 folded +
assi (attr store1 < 3.586 and attr store1 > 3.486 )
     ((attr store1 < 1.011 and attr store1 > 0.951 ) and 
      (bondedto (attr store1 < 113.376109131  and attr store1 > 112.576109131 ) or 
       bondedto (attr store1 < 65.652  and attr store1 > 64.852 ) or 
       bondedto (attr store1 < 17.9278908686  and attr store1 > 17.1278908686 ))) 
6 0.1 0.1 peak 3030 volume 18.20597 ppm1 0.981 ppm2 3.536
 
! ############### c13noe.3031 folded +
assi (attr store1 < 8.884 and attr store1 > 8.784 )
     ((attr store1 < 0.948 and attr store1 > 0.888 ) and 
      (bondedto (attr store1 < 113.380109131  and attr store1 > 112.580109131 ) or 
       bondedto (attr store1 < 65.656  and attr store1 > 64.856 ) or 
       bondedto (attr store1 < 17.9318908686  and attr store1 > 17.1318908686 ))) 
6 0.1 0.1 peak 3031 volume 9.64198 ppm1 0.918 ppm2 8.834
 
! ############### c13noe.3032 folded +
assi (attr store1 < 8.407 and attr store1 > 8.307 )
     ((attr store1 < 0.95 and attr store1 > 0.89 ) and 
      (bondedto (attr store1 < 113.377109131  and attr store1 > 112.577109131 ) or 
       bondedto (attr store1 < 65.653  and attr store1 > 64.853 ) or 
       bondedto (attr store1 < 17.9288908686  and attr store1 > 17.1288908686 ))) 
6 0.1 0.1 peak 3032 volume 8.98733 ppm1 0.920 ppm2 8.357
 
! ############### c13noe.3033 folded +
assi (attr store1 < 4.122 and attr store1 > 4.022 )
     ((attr store1 < 0.948 and attr store1 > 0.888 ) and 
      (bondedto (attr store1 < 113.401109131  and attr store1 > 112.601109131 ) or 
       bondedto (attr store1 < 65.677  and attr store1 > 64.877 ) or 
       bondedto (attr store1 < 17.9528908686  and attr store1 > 17.1528908686 ))) 
6 0.1 0.1 peak 3033 volume 14.04699 ppm1 0.918 ppm2 4.072
 
! ############### c13noe.3034 folded +
assi (attr store1 < 3.981 and attr store1 > 3.881 )
     ((attr store1 < 0.948 and attr store1 > 0.888 ) and 
      (bondedto (attr store1 < 113.397109131  and attr store1 > 112.597109131 ) or 
       bondedto (attr store1 < 65.673  and attr store1 > 64.873 ) or 
       bondedto (attr store1 < 17.9488908686  and attr store1 > 17.1488908686 ))) 
6 0.1 0.1 peak 3034 volume 8.89114 ppm1 0.918 ppm2 3.931
 
! ############### c13noe.3035 folded +
assi (attr store1 < 3.587 and attr store1 > 3.487 )
     ((attr store1 < 0.948 and attr store1 > 0.888 ) and 
      (bondedto (attr store1 < 113.381109131  and attr store1 > 112.581109131 ) or 
       bondedto (attr store1 < 65.657  and attr store1 > 64.857 ) or 
       bondedto (attr store1 < 17.9328908686  and attr store1 > 17.1328908686 ))) 
6 0.1 0.1 peak 3035 volume 17.85082 ppm1 0.918 ppm2 3.537
 
! ############### c13noe.3036 folded +
assi (attr store1 < 0.541 and attr store1 > 0.441 )
     ((attr store1 < 0.827 and attr store1 > 0.767 ) and 
      (bondedto (attr store1 < 113.348109131  and attr store1 > 112.548109131 ) or 
       bondedto (attr store1 < 65.624  and attr store1 > 64.824 ) or 
       bondedto (attr store1 < 17.8998908686  and attr store1 > 17.0998908686 ))) 
6 0.1 0.1 peak 3036 volume 7.24065 ppm1 0.797 ppm2 0.491
 
! ############### c13noe.3037 folded -
assi (attr store1 < 8.846 and attr store1 > 8.746 )
     ((attr store1 < 1.893 and attr store1 > 1.833 ) and 
      (bondedto (attr store1 < 89.5420545657  and attr store1 > 88.7420545657 ) or 
       bondedto (attr store1 < 137.266163697  and attr store1 > 136.466163697) or 
       bondedto (attr store1 < 41.8179454343  and attr store1 > 41.0179454343 ))) 
6 0.1 0.1 peak 3037 volume 12.01044 ppm1 1.863 ppm2 8.796
 
! ############### c13noe.3038 folded -
assi (attr store1 < 1.956 and attr store1 > 1.856 )
     ((attr store1 < 1.75 and attr store1 > 1.69 ) and 
      (bondedto (attr store1 < 89.5130545657  and attr store1 > 88.7130545657 ) or 
       bondedto (attr store1 < 137.237163697  and attr store1 > 136.437163697) or 
       bondedto (attr store1 < 41.7889454343  and attr store1 > 40.9889454343 ))) 
6 0.1 0.1 peak 3038 volume 10.89641 ppm1 1.720 ppm2 1.906
 
! ############### c13noe.3039 folded -
assi (attr store1 < 8.857 and attr store1 > 8.757 )
     ((attr store1 < 1.591 and attr store1 > 1.531 ) and 
      (bondedto (attr store1 < 89.4970545657  and attr store1 > 88.6970545657 ) or 
       bondedto (attr store1 < 137.221163697  and attr store1 > 136.421163697) or 
       bondedto (attr store1 < 41.7729454343  and attr store1 > 40.9729454343 ))) 
6 0.1 0.1 peak 3039 volume 7.67662 ppm1 1.561 ppm2 8.807
 
! ############### c13noe.3040 folded -
assi (attr store1 < 1.909 and attr store1 > 1.809 )
     ((attr store1 < 1.586 and attr store1 > 1.526 ) and 
      (bondedto (attr store1 < 89.5250545657  and attr store1 > 88.7250545657 ) or 
       bondedto (attr store1 < 137.249163697  and attr store1 > 136.449163697) or 
       bondedto (attr store1 < 41.8009454343  and attr store1 > 41.0009454343 ))) 
6 0.1 0.1 peak 3040 volume 31.491 ppm1 1.556 ppm2 1.859
 
! ############### c13noe.3041 folded -
assi (attr store1 < 0.892 and attr store1 > 0.792 )
     ((attr store1 < 1.455 and attr store1 > 1.395 ) and 
      (bondedto (attr store1 < 89.5350545657  and attr store1 > 88.7350545657 ) or 
       bondedto (attr store1 < 137.259163697  and attr store1 > 136.459163697) or 
       bondedto (attr store1 < 41.8109454343  and attr store1 > 41.0109454343 ))) 
6 0.1 0.1 peak 3041 volume 9.0606 ppm1 1.425 ppm2 0.842
 
! ############### c13noe.3042 folded +
assi (attr store1 < 7.866 and attr store1 > 7.766 )
     ((attr store1 < 1.57 and attr store1 > 1.51 ) and 
      (bondedto (attr store1 < 113.317109131  and attr store1 > 112.517109131 ) or 
       bondedto (attr store1 < 65.593  and attr store1 > 64.793 ) or 
       bondedto (attr store1 < 17.8688908686  and attr store1 > 17.0688908686 ))) 
6 0.1 0.1 peak 3042 volume 24.37490 ppm1 1.540 ppm2 7.816
 
! ############### c13noe.3043 folded +
assi (attr store1 < 4.241 and attr store1 > 4.141 )
     ((attr store1 < 1.568 and attr store1 > 1.508 ) and 
      (bondedto (attr store1 < 113.320109131  and attr store1 > 112.520109131 ) or 
       bondedto (attr store1 < 65.596  and attr store1 > 64.796 ) or 
       bondedto (attr store1 < 17.8718908686  and attr store1 > 17.0718908686 ))) 
6 0.1 0.1 peak 3043 volume 35.00546 ppm1 1.538 ppm2 4.191
 
! ############### c13noe.3044 folded +
assi (attr store1 < 4.325 and attr store1 > 4.225 )
     ((attr store1 < 1.564 and attr store1 > 1.504 ) and 
      (bondedto (attr store1 < 113.320109131  and attr store1 > 112.520109131 ) or 
       bondedto (attr store1 < 65.596  and attr store1 > 64.796 ) or 
       bondedto (attr store1 < 17.8718908686  and attr store1 > 17.0718908686 ))) 
6 0.1 0.1 peak 3044 volume 64.01735 ppm1 1.534 ppm2 4.275
 
! ############### c13noe.3045 folded +
assi (attr store1 < 7.866 and attr store1 > 7.766 )
     ((attr store1 < 1.505 and attr store1 > 1.445 ) and 
      (bondedto (attr store1 < 113.321109131  and attr store1 > 112.521109131 ) or 
       bondedto (attr store1 < 65.597  and attr store1 > 64.797 ) or 
       bondedto (attr store1 < 17.8728908686  and attr store1 > 17.0728908686 ))) 
6 0.1 0.1 peak 3045 volume 27.96781 ppm1 1.475 ppm2 7.816
 
! ############### c13noe.3046 folded +
assi (attr store1 < 4.317 and attr store1 > 4.217 )
     ((attr store1 < 1.505 and attr store1 > 1.445 ) and 
      (bondedto (attr store1 < 113.328109131  and attr store1 > 112.528109131 ) or 
       bondedto (attr store1 < 65.604  and attr store1 > 64.804 ) or 
       bondedto (attr store1 < 17.8798908686  and attr store1 > 17.0798908686 ))) 
6 0.1 0.1 peak 3046 volume 44.13214 ppm1 1.475 ppm2 4.267
 
! ############### c13noe.3047 folded +
assi (attr store1 < 4.231 and attr store1 > 4.131 )
     ((attr store1 < 1.504 and attr store1 > 1.444 ) and 
      (bondedto (attr store1 < 113.311109131  and attr store1 > 112.511109131 ) or 
       bondedto (attr store1 < 65.587  and attr store1 > 64.787 ) or 
       bondedto (attr store1 < 17.8628908686  and attr store1 > 17.0628908686 ))) 
6 0.1 0.1 peak 3047 volume 28.22012 ppm1 1.474 ppm2 4.181
 
! ############### c13noe.3048 folded +
assi (attr store1 < 3.549 and attr store1 > 3.449 )
     ((attr store1 < 1.505 and attr store1 > 1.445 ) and 
      (bondedto (attr store1 < 113.329109131  and attr store1 > 112.529109131 ) or 
       bondedto (attr store1 < 65.605  and attr store1 > 64.805 ) or 
       bondedto (attr store1 < 17.8808908686  and attr store1 > 17.0808908686 ))) 
6 0.1 0.1 peak 3048 volume 15.86814 ppm1 1.475 ppm2 3.499
 
! ############### c13noe.3049 folded +
assi (attr store1 < 1.028 and attr store1 > 0.928 )
     ((attr store1 < 3.787 and attr store1 > 3.727 ) and 
      (bondedto (attr store1 < 113.187109131  and attr store1 > 112.387109131 ) or 
       bondedto (attr store1 < 65.463  and attr store1 > 64.663 ) or 
       bondedto (attr store1 < 17.7388908686  and attr store1 > 16.9388908686 ))) 
6 0.1 0.1 peak 3049 volume 26.39541 ppm1 3.757 ppm2 0.978
 
! ############### c13noe.3050 folded +
assi (attr store1 < 8.418 and attr store1 > 8.318 )
     ((attr store1 < 3.783 and attr store1 > 3.723 ) and 
      (bondedto (attr store1 < 113.203109131  and attr store1 > 112.403109131 ) or 
       bondedto (attr store1 < 65.479  and attr store1 > 64.679 ) or 
       bondedto (attr store1 < 17.7548908686  and attr store1 > 16.9548908686 ))) 
6 0.1 0.1 peak 3050 volume 10.42927 ppm1 3.753 ppm2 8.368
 
! ############### c13noe.3051 folded +
assi (attr store1 < 1.824 and attr store1 > 1.724 )
     ((attr store1 < 3.783 and attr store1 > 3.723 ) and 
      (bondedto (attr store1 < 113.216109131  and attr store1 > 112.416109131 ) or 
       bondedto (attr store1 < 65.492  and attr store1 > 64.692 ) or 
       bondedto (attr store1 < 17.7678908686  and attr store1 > 16.9678908686 ))) 
6 0.1 0.1 peak 3051 volume 28.91209 ppm1 3.753 ppm2 1.774
 
! ############### c13noe.3052 folded +
assi (attr store1 < 0.889 and attr store1 > 0.789 )
     ((attr store1 < 3.784 and attr store1 > 3.724 ) and 
      (bondedto (attr store1 < 113.183109131  and attr store1 > 112.383109131 ) or 
       bondedto (attr store1 < 65.459  and attr store1 > 64.659 ) or 
       bondedto (attr store1 < 17.7348908686  and attr store1 > 16.9348908686 ))) 
6 0.1 0.1 peak 3052 volume 23.53636 ppm1 3.754 ppm2 0.839
 
! ############### c13noe.3053 folded +
assi (attr store1 < 0.824 and attr store1 > 0.724 )
     ((attr store1 < 3.782 and attr store1 > 3.722 ) and 
      (bondedto (attr store1 < 113.191109131  and attr store1 > 112.391109131 ) or 
       bondedto (attr store1 < 65.467  and attr store1 > 64.667 ) or 
       bondedto (attr store1 < 17.7428908686  and attr store1 > 16.9428908686 ))) 
6 0.1 0.1 peak 3053 volume 14.58056 ppm1 3.752 ppm2 0.774
 
! ############### c13noe.3054 folded +
assi (attr store1 < 8.296 and attr store1 > 8.196 )
     ((attr store1 < 3.779 and attr store1 > 3.719 ) and 
      (bondedto (attr store1 < 113.207109131  and attr store1 > 112.407109131 ) or 
       bondedto (attr store1 < 65.483  and attr store1 > 64.683 ) or 
       bondedto (attr store1 < 17.7588908686  and attr store1 > 16.9588908686 ))) 
6 0.1 0.1 peak 3054 volume 8.12191 ppm1 3.749 ppm2 8.246
 
! ############### c13noe.3055 folded +
assi (attr store1 < 1.289 and attr store1 > 1.189 )
     ((attr store1 < 3.779 and attr store1 > 3.719 ) and 
      (bondedto (attr store1 < 113.205109131  and attr store1 > 112.405109131 ) or 
       bondedto (attr store1 < 65.481  and attr store1 > 64.681 ) or 
       bondedto (attr store1 < 17.7568908686  and attr store1 > 16.9568908686 ))) 
6 0.1 0.1 peak 3055 volume 14.29086 ppm1 3.749 ppm2 1.239
 
! ############### c13noe.3056 folded +
assi (attr store1 < 7.869 and attr store1 > 7.769 )
     ((attr store1 < 2.241 and attr store1 > 2.181 ) and 
      (bondedto (attr store1 < 113.188109131  and attr store1 > 112.388109131 ) or 
       bondedto (attr store1 < 65.464  and attr store1 > 64.664 ) or 
       bondedto (attr store1 < 17.7398908686  and attr store1 > 16.9398908686 ))) 
6 0.1 0.1 peak 3056 volume 10.09084 ppm1 2.211 ppm2 7.819
 
! ############### c13noe.3057 folded +
assi (attr store1 < 7.865 and attr store1 > 7.765 )
     ((attr store1 < 2.194 and attr store1 > 2.134 ) and 
      (bondedto (attr store1 < 113.181109131  and attr store1 > 112.381109131 ) or 
       bondedto (attr store1 < 65.457  and attr store1 > 64.657 ) or 
       bondedto (attr store1 < 17.7328908686  and attr store1 > 16.9328908686 ))) 
6 0.1 0.1 peak 3057 volume 7.53877 ppm1 2.164 ppm2 7.815
 
! ############### c13noe.3058 folded +
assi (attr store1 < 7.872 and attr store1 > 7.772 )
     ((attr store1 < 2.167 and attr store1 > 2.107 ) and 
      (bondedto (attr store1 < 113.198109131  and attr store1 > 112.398109131 ) or 
       bondedto (attr store1 < 65.474  and attr store1 > 64.674 ) or 
       bondedto (attr store1 < 17.7498908686  and attr store1 > 16.9498908686 ))) 
6 0.1 0.1 peak 3058 volume 11.72827 ppm1 2.137 ppm2 7.822
 
! ############### c13noe.3059 folded +
assi (attr store1 < 0.966 and attr store1 > 0.866 )
     ((attr store1 < 2.119 and attr store1 > 2.059 ) and 
      (bondedto (attr store1 < 113.209109131  and attr store1 > 112.409109131 ) or 
       bondedto (attr store1 < 65.485  and attr store1 > 64.685 ) or 
       bondedto (attr store1 < 17.7608908686  and attr store1 > 16.9608908686 ))) 
6 0.1 0.1 peak 3059 volume 12.71618 ppm1 2.089 ppm2 0.916
 
! ############### c13noe.3060 folded +
assi (attr store1 < 1.246 and attr store1 > 1.146 )
     ((attr store1 < 1.483 and attr store1 > 1.423 ) and 
      (bondedto (attr store1 < 113.198109131  and attr store1 > 112.398109131 ) or 
       bondedto (attr store1 < 65.474  and attr store1 > 64.674 ) or 
       bondedto (attr store1 < 17.7498908686  and attr store1 > 16.9498908686 ))) 
6 0.1 0.1 peak 3060 volume 19.06545 ppm1 1.453 ppm2 1.196
 
! ############### c13noe.3061 folded +
assi (attr store1 < 1.506 and attr store1 > 1.406 )
     ((attr store1 < 1.224 and attr store1 > 1.164 ) and 
      (bondedto (attr store1 < 113.190109131  and attr store1 > 112.390109131 ) or 
       bondedto (attr store1 < 65.466  and attr store1 > 64.666 ) or 
       bondedto (attr store1 < 17.7418908686  and attr store1 > 16.9418908686 ))) 
6 0.1 0.1 peak 3061 volume 17.88006 ppm1 1.194 ppm2 1.456
 
! ############### c13noe.3062 folded +
assi (attr store1 < 8.491 and attr store1 > 8.391 )
     ((attr store1 < 0.988 and attr store1 > 0.928 ) and 
      (bondedto (attr store1 < 113.178109131  and attr store1 > 112.378109131 ) or 
       bondedto (attr store1 < 65.454  and attr store1 > 64.654 ) or 
       bondedto (attr store1 < 17.7298908686  and attr store1 > 16.9298908686 ))) 
6 0.1 0.1 peak 3062 volume 10.73120 ppm1 0.958 ppm2 8.441
 
! ############### c13noe.3063 folded +
assi (attr store1 < 4.125 and attr store1 > 4.025 )
     ((attr store1 < 0.986 and attr store1 > 0.926 ) and 
      (bondedto (attr store1 < 113.233109131  and attr store1 > 112.433109131 ) or 
       bondedto (attr store1 < 65.509  and attr store1 > 64.709 ) or 
       bondedto (attr store1 < 17.7848908686  and attr store1 > 16.9848908686 ))) 
6 0.1 0.1 peak 3063 volume 11.33270 ppm1 0.956 ppm2 4.075
 
! ############### c13noe.3064 folded +
assi (attr store1 < 4.044 and attr store1 > 3.944 )
     ((attr store1 < 0.987 and attr store1 > 0.927 ) and 
      (bondedto (attr store1 < 113.207109131  and attr store1 > 112.407109131 ) or 
       bondedto (attr store1 < 65.483  and attr store1 > 64.683 ) or 
       bondedto (attr store1 < 17.7588908686  and attr store1 > 16.9588908686 ))) 
6 0.1 0.1 peak 3064 volume 13.14640 ppm1 0.957 ppm2 3.994
 
! ############### c13noe.3065 folded +
assi (attr store1 < 8.696 and attr store1 > 8.596 )
     ((attr store1 < 0.984 and attr store1 > 0.924 ) and 
      (bondedto (attr store1 < 113.153109131  and attr store1 > 112.353109131 ) or 
       bondedto (attr store1 < 65.429  and attr store1 > 64.629 ) or 
       bondedto (attr store1 < 17.7048908686  and attr store1 > 16.9048908686 ))) 
6 0.1 0.1 peak 3065 volume 10.24320 ppm1 0.954 ppm2 8.646
 
! ############### c13noe.3066 folded +
assi (attr store1 < 3.65 and attr store1 > 3.55 )
     ((attr store1 < 0.982 and attr store1 > 0.922 ) and 
      (bondedto (attr store1 < 113.202109131  and attr store1 > 112.402109131 ) or 
       bondedto (attr store1 < 65.478  and attr store1 > 64.678 ) or 
       bondedto (attr store1 < 17.7538908686  and attr store1 > 16.9538908686 ))) 
6 0.1 0.1 peak 3066 volume 16.23209 ppm1 0.952 ppm2 3.600
 
! ############### c13noe.3067 folded +
assi (attr store1 < 2.962 and attr store1 > 2.862 )
     ((attr store1 < 0.984 and attr store1 > 0.924 ) and 
      (bondedto (attr store1 < 113.180109131  and attr store1 > 112.380109131 ) or 
       bondedto (attr store1 < 65.456  and attr store1 > 64.656 ) or 
       bondedto (attr store1 < 17.7318908686  and attr store1 > 16.9318908686 ))) 
6 0.1 0.1 peak 3067 volume 20.16278 ppm1 0.954 ppm2 2.912
 
! ############### c13noe.3068 folded +
assi (attr store1 < 4.241 and attr store1 > 4.141 )
     ((attr store1 < 0.95 and attr store1 > 0.89 ) and 
      (bondedto (attr store1 < 113.237109131  and attr store1 > 112.437109131 ) or 
       bondedto (attr store1 < 65.513  and attr store1 > 64.713 ) or 
       bondedto (attr store1 < 17.7888908686  and attr store1 > 16.9888908686 ))) 
6 0.1 0.1 peak 3068 volume 11.38885 ppm1 0.920 ppm2 4.191
 
! ############### c13noe.3069 folded +
assi (attr store1 < 8.491 and attr store1 > 8.391 )
     ((attr store1 < 0.944 and attr store1 > 0.884 ) and 
      (bondedto (attr store1 < 113.171109131  and attr store1 > 112.371109131 ) or 
       bondedto (attr store1 < 65.447  and attr store1 > 64.647 ) or 
       bondedto (attr store1 < 17.7228908686  and attr store1 > 16.9228908686 ))) 
6 0.1 0.1 peak 3069 volume 6.34732 ppm1 0.914 ppm2 8.441
 
! ############### c13noe.3070 folded +
assi (attr store1 < 8.695 and attr store1 > 8.595 )
     ((attr store1 < 0.919 and attr store1 > 0.859 ) and 
      (bondedto (attr store1 < 113.207109131  and attr store1 > 112.407109131 ) or 
       bondedto (attr store1 < 65.483  and attr store1 > 64.683 ) or 
       bondedto (attr store1 < 17.7588908686  and attr store1 > 16.9588908686 ))) 
6 0.1 0.1 peak 3070 volume 8.72079 ppm1 0.889 ppm2 8.645
 
! ############### c13noe.3071 folded +
assi (attr store1 < 3.648 and attr store1 > 3.548 )
     ((attr store1 < 0.92 and attr store1 > 0.86 ) and 
      (bondedto (attr store1 < 113.198109131  and attr store1 > 112.398109131 ) or 
       bondedto (attr store1 < 65.474  and attr store1 > 64.674 ) or 
       bondedto (attr store1 < 17.7498908686  and attr store1 > 16.9498908686 ))) 
6 0.1 0.1 peak 3071 volume 16.59835 ppm1 0.890 ppm2 3.598
 
! ############### c13noe.3072 folded +
assi (attr store1 < 2.961 and attr store1 > 2.861 )
     ((attr store1 < 0.916 and attr store1 > 0.856 ) and 
      (bondedto (attr store1 < 113.173109131  and attr store1 > 112.373109131 ) or 
       bondedto (attr store1 < 65.449  and attr store1 > 64.649 ) or 
       bondedto (attr store1 < 17.7248908686  and attr store1 > 16.9248908686 ))) 
6 0.1 0.1 peak 3072 volume 19.97105 ppm1 0.886 ppm2 2.911
 
! ############### c13noe.3073 folded -
assi (attr store1 < 0.961 and attr store1 > 0.861 )
     ((attr store1 < 2.406 and attr store1 > 2.346 ) and 
      (bondedto (attr store1 < 89.3520545657  and attr store1 > 88.5520545657 ) or 
       bondedto (attr store1 < 137.076163697  and attr store1 > 136.276163697) or 
       bondedto (attr store1 < 41.6279454343  and attr store1 > 40.8279454343 ))) 
6 0.1 0.1 peak 3073 volume 6.98653 ppm1 2.376 ppm2 0.911
 
! ############### c13noe.3074 folded -
assi (attr store1 < 0.985 and attr store1 > 0.885 )
     ((attr store1 < 2.366 and attr store1 > 2.306 ) and 
      (bondedto (attr store1 < 89.2950545657  and attr store1 > 88.4950545657 ) or 
       bondedto (attr store1 < 137.019163697  and attr store1 > 136.219163697) or 
       bondedto (attr store1 < 41.5709454343  and attr store1 > 40.7709454343 ))) 
6 0.1 0.1 peak 3074 volume 7.36056 ppm1 2.336 ppm2 0.935
 
! ############### c13noe.3075 folded -
assi (attr store1 < 2.025 and attr store1 > 1.925 )
     ((attr store1 < 2.35 and attr store1 > 2.29 ) and 
      (bondedto (attr store1 < 89.3010545657  and attr store1 > 88.5010545657 ) or 
       bondedto (attr store1 < 137.025163697  and attr store1 > 136.225163697) or 
       bondedto (attr store1 < 41.5769454343  and attr store1 > 40.7769454343 ))) 
6 0.1 0.1 peak 3075 volume 23.37537 ppm1 2.320 ppm2 1.975
 
! ############### c13noe.3076 folded -
assi (attr store1 < 0.957 and attr store1 > 0.857 )
     ((attr store1 < 1.91 and attr store1 > 1.85 ) and 
      (bondedto (attr store1 < 89.3540545657  and attr store1 > 88.5540545657 ) or 
       bondedto (attr store1 < 137.078163697  and attr store1 > 136.278163697) or 
       bondedto (attr store1 < 41.6299454343  and attr store1 > 40.8299454343 ))) 
6 0.1 0.1 peak 3076 volume 21.94025 ppm1 1.880 ppm2 0.907
 
! ############### c13noe.3077 folded -
assi (attr store1 < 2.009 and attr store1 > 1.909 )
     ((attr store1 < 2.344 and attr store1 > 2.284 ) and 
      (bondedto (attr store1 < 89.1540545657  and attr store1 > 88.3540545657 ) or 
       bondedto (attr store1 < 136.878163697  and attr store1 > 136.078163697) or 
       bondedto (attr store1 < 41.4299454343  and attr store1 > 40.6299454343 ))) 
6 0.1 0.1 peak 3077 volume 25.14286 ppm1 2.314 ppm2 1.959
 
! ############### c13noe.3078 folded -
assi (attr store1 < 2.365 and attr store1 > 2.265 )
     ((attr store1 < 2.013 and attr store1 > 1.953 ) and 
      (bondedto (attr store1 < 89.1540545657  and attr store1 > 88.3540545657 ) or 
       bondedto (attr store1 < 136.878163697  and attr store1 > 136.078163697) or 
       bondedto (attr store1 < 41.4299454343  and attr store1 > 40.6299454343 ))) 
6 0.1 0.1 peak 3078 volume 15.41695 ppm1 1.983 ppm2 2.315
 
! ############### c13noe.3079 folded -
assi (attr store1 < 2.356 and attr store1 > 2.256 )
     ((attr store1 < 1.975 and attr store1 > 1.915 ) and 
      (bondedto (attr store1 < 89.1620545657  and attr store1 > 88.3620545657 ) or 
       bondedto (attr store1 < 136.886163697  and attr store1 > 136.086163697) or 
       bondedto (attr store1 < 41.4379454343  and attr store1 > 40.6379454343 ))) 
6 0.1 0.1 peak 3079 volume 21.4001 ppm1 1.945 ppm2 2.306
 
! ############### c13noe.3080 folded -
assi (attr store1 < 1.494 and attr store1 > 1.394 )
     ((attr store1 < 2.378 and attr store1 > 2.318 ) and 
      (bondedto (attr store1 < 89.0630545657  and attr store1 > 88.2630545657 ) or 
       bondedto (attr store1 < 136.787163697  and attr store1 > 135.987163697) or 
       bondedto (attr store1 < 41.3389454343  and attr store1 > 40.5389454343 ))) 
6 0.1 0.1 peak 3080 volume 7.54009 ppm1 2.348 ppm2 1.444
 
! ############### c13noe.3081 folded -
assi (attr store1 < 2.362 and attr store1 > 2.262 )
     ((attr store1 < 2.344 and attr store1 > 2.284 ) and 
      (bondedto (attr store1 < 89.0520545657  and attr store1 > 88.2520545657 ) or 
       bondedto (attr store1 < 136.776163697  and attr store1 > 135.976163697) or 
       bondedto (attr store1 < 41.3279454343  and attr store1 > 40.5279454343 ))) 
6 0.1 0.1 peak 3081 volume 95.37678 ppm1 2.314 ppm2 2.312
 
! ############### c13noe.3082 folded -
assi (attr store1 < 1.1 and attr store1 > 1.0 )
     ((attr store1 < 2.225 and attr store1 > 2.165 ) and 
      (bondedto (attr store1 < 89.0670545657  and attr store1 > 88.2670545657 ) or 
       bondedto (attr store1 < 136.791163697  and attr store1 > 135.991163697) or 
       bondedto (attr store1 < 41.3429454343  and attr store1 > 40.5429454343 ))) 
6 0.1 0.1 peak 3082 volume 11.53637 ppm1 2.195 ppm2 1.050
 
! ############### c13noe.3083 folded -
assi (attr store1 < 1.095 and attr store1 > 0.995 )
     ((attr store1 < 2.197 and attr store1 > 2.137 ) and 
      (bondedto (attr store1 < 89.0980545657  and attr store1 > 88.2980545657 ) or 
       bondedto (attr store1 < 136.822163697  and attr store1 > 136.022163697) or 
       bondedto (attr store1 < 41.3739454343  and attr store1 > 40.5739454343 ))) 
6 0.1 0.1 peak 3083 volume 12.0741 ppm1 2.167 ppm2 1.045
 
! ############### c13noe.3084 folded -
assi (attr store1 < 0.939 and attr store1 > 0.839 )
     ((attr store1 < 2.199 and attr store1 > 2.139 ) and 
      (bondedto (attr store1 < 89.0990545657  and attr store1 > 88.2990545657 ) or 
       bondedto (attr store1 < 136.823163697  and attr store1 > 136.023163697) or 
       bondedto (attr store1 < 41.3749454343  and attr store1 > 40.5749454343 ))) 
6 0.1 0.1 peak 3084 volume 14.95139 ppm1 2.169 ppm2 0.889
 
! ############### c13noe.3085 folded -
assi (attr store1 < 1.003 and attr store1 > 0.903 )
     ((attr store1 < 2.169 and attr store1 > 2.109 ) and 
      (bondedto (attr store1 < 89.0390545657  and attr store1 > 88.2390545657 ) or 
       bondedto (attr store1 < 136.763163697  and attr store1 > 135.963163697) or 
       bondedto (attr store1 < 41.3149454343  and attr store1 > 40.5149454343 ))) 
6 0.1 0.1 peak 3085 volume 9.4722 ppm1 2.139 ppm2 0.953
 
! ############### c13noe.3086 folded -
assi (attr store1 < 0.936 and attr store1 > 0.836 )
     ((attr store1 < 1.959 and attr store1 > 1.899 ) and 
      (bondedto (attr store1 < 89.0860545657  and attr store1 > 88.2860545657 ) or 
       bondedto (attr store1 < 136.810163697  and attr store1 > 136.010163697) or 
       bondedto (attr store1 < 41.3619454343  and attr store1 > 40.5619454343 ))) 
6 0.1 0.1 peak 3086 volume 22.1158 ppm1 1.929 ppm2 0.886
 
! ############### c13noe.3087 folded -
assi (attr store1 < 0.86 and attr store1 > 0.76 )
     ((attr store1 < 1.959 and attr store1 > 1.899 ) and 
      (bondedto (attr store1 < 89.0940545657  and attr store1 > 88.2940545657 ) or 
       bondedto (attr store1 < 136.818163697  and attr store1 > 136.018163697) or 
       bondedto (attr store1 < 41.3699454343  and attr store1 > 40.5699454343 ))) 
6 0.1 0.1 peak 3087 volume 10.45953 ppm1 1.929 ppm2 0.810
 
! ############### c13noe.3088 folded -
assi (attr store1 < 0.942 and attr store1 > 0.842 )
     ((attr store1 < 1.947 and attr store1 > 1.887 ) and 
      (bondedto (attr store1 < 89.0750545657  and attr store1 > 88.2750545657 ) or 
       bondedto (attr store1 < 136.799163697  and attr store1 > 135.999163697) or 
       bondedto (attr store1 < 41.3509454343  and attr store1 > 40.5509454343 ))) 
6 0.1 0.1 peak 3088 volume 20.02297 ppm1 1.917 ppm2 0.892
 
! ############### c13noe.3089 folded -
assi (attr store1 < 8.984 and attr store1 > 8.884 )
     ((attr store1 < 1.942 and attr store1 > 1.882 ) and 
      (bondedto (attr store1 < 89.0570545657  and attr store1 > 88.2570545657 ) or 
       bondedto (attr store1 < 136.781163697  and attr store1 > 135.981163697) or 
       bondedto (attr store1 < 41.3329454343  and attr store1 > 40.5329454343 ))) 
6 0.1 0.1 peak 3089 volume 6.91216 ppm1 1.912 ppm2 8.934
 
! ############### c13noe.3090 folded -
assi (attr store1 < 0.85 and attr store1 > 0.75 )
     ((attr store1 < 1.922 and attr store1 > 1.862 ) and 
      (bondedto (attr store1 < 89.0440545657  and attr store1 > 88.2440545657 ) or 
       bondedto (attr store1 < 136.768163697  and attr store1 > 135.968163697) or 
       bondedto (attr store1 < 41.3199454343  and attr store1 > 40.5199454343 ))) 
6 0.1 0.1 peak 3090 volume 6.11698 ppm1 1.892 ppm2 0.800
 
! ############### c13noe.3091 folded -
assi (attr store1 < 1.499 and attr store1 > 1.399 )
     ((attr store1 < 1.486 and attr store1 > 1.426 ) and 
      (bondedto (attr store1 < 89.0330545657  and attr store1 > 88.2330545657 ) or 
       bondedto (attr store1 < 136.757163697  and attr store1 > 135.957163697) or 
       bondedto (attr store1 < 41.3089454343  and attr store1 > 40.5089454343 ))) 
6 0.1 0.1 peak 3091 volume 79.67941 ppm1 1.456 ppm2 1.449
 
! ############### c13noe.3092 folded -
assi (attr store1 < 1.731 and attr store1 > 1.631 )
     ((attr store1 < 1.471 and attr store1 > 1.411 ) and 
      (bondedto (attr store1 < 89.0160545657  and attr store1 > 88.2160545657 ) or 
       bondedto (attr store1 < 136.740163697  and attr store1 > 135.940163697) or 
       bondedto (attr store1 < 41.2919454343  and attr store1 > 40.4919454343 ))) 
6 0.1 0.1 peak 3092 volume 12.06243 ppm1 1.441 ppm2 1.681
 
! ############### c13noe.3093 folded -
assi (attr store1 < 1.958 and attr store1 > 1.858 )
     ((attr store1 < 1.464 and attr store1 > 1.404 ) and 
      (bondedto (attr store1 < 89.0330545657  and attr store1 > 88.2330545657 ) or 
       bondedto (attr store1 < 136.757163697  and attr store1 > 135.957163697) or 
       bondedto (attr store1 < 41.3089454343  and attr store1 > 40.5089454343 ))) 
6 0.1 0.1 peak 3093 volume 20.93663 ppm1 1.434 ppm2 1.908
 
! ############### c13noe.3094 folded -
assi (attr store1 < 3.862 and attr store1 > 3.762 )
     ((attr store1 < 1.459 and attr store1 > 1.399 ) and 
      (bondedto (attr store1 < 89.0200545657  and attr store1 > 88.2200545657 ) or 
       bondedto (attr store1 < 136.744163697  and attr store1 > 135.944163697) or 
       bondedto (attr store1 < 41.2959454343  and attr store1 > 40.4959454343 ))) 
6 0.1 0.1 peak 3094 volume 8.36703 ppm1 1.429 ppm2 3.812
 
! ############### c13noe.3095 folded -
assi (attr store1 < 3.85 and attr store1 > 3.75 )
     ((attr store1 < 1.45 and attr store1 > 1.39 ) and 
      (bondedto (attr store1 < 89.0510545657  and attr store1 > 88.2510545657 ) or 
       bondedto (attr store1 < 136.775163697  and attr store1 > 135.975163697) or 
       bondedto (attr store1 < 41.3269454343  and attr store1 > 40.5269454343 ))) 
6 0.1 0.1 peak 3095 volume 8.2466 ppm1 1.420 ppm2 3.800
 
! ############### c13noe.3096 folded +
assi (attr store1 < 4.048 and attr store1 > 3.948 )
     ((attr store1 < 0.982 and attr store1 > 0.922 ) and 
      (bondedto (attr store1 < 112.798109131  and attr store1 > 111.998109131 ) or 
       bondedto (attr store1 < 65.074  and attr store1 > 64.274 ) or 
       bondedto (attr store1 < 17.3498908686  and attr store1 > 16.5498908686 ))) 
6 0.1 0.1 peak 3096 volume 7.04520 ppm1 0.952 ppm2 3.998
 
! ############### c13noe.3097 folded -
assi (attr store1 < 2.802 and attr store1 > 2.702 )
     ((attr store1 < 2.696 and attr store1 > 2.636 ) and 
      (bondedto (attr store1 < 88.9710545657  and attr store1 > 88.1710545657 ) or 
       bondedto (attr store1 < 136.695163697  and attr store1 > 135.895163697) or 
       bondedto (attr store1 < 41.2469454343  and attr store1 > 40.4469454343 ))) 
6 0.1 0.1 peak 3097 volume 20.27871 ppm1 2.666 ppm2 2.752
 
! ############### c13noe.3098 folded -
assi (attr store1 < 1.098 and attr store1 > 0.998 )
     ((attr store1 < 2.382 and attr store1 > 2.322 ) and 
      (bondedto (attr store1 < 88.9680545657  and attr store1 > 88.1680545657 ) or 
       bondedto (attr store1 < 136.692163697  and attr store1 > 135.892163697) or 
       bondedto (attr store1 < 41.2439454343  and attr store1 > 40.4439454343 ))) 
6 0.1 0.1 peak 3098 volume 11.87426 ppm1 2.352 ppm2 1.048
 
! ############### c13noe.3099 folded -
assi (attr store1 < 1.607 and attr store1 > 1.507 )
     ((attr store1 < 2.375 and attr store1 > 2.315 ) and 
      (bondedto (attr store1 < 88.9470545657  and attr store1 > 88.1470545657 ) or 
       bondedto (attr store1 < 136.671163697  and attr store1 > 135.871163697) or 
       bondedto (attr store1 < 41.2229454343  and attr store1 > 40.4229454343 ))) 
6 0.1 0.1 peak 3099 volume 13.26597 ppm1 2.345 ppm2 1.557
 
! ############### c13noe.3100 folded -
assi (attr store1 < 1.468 and attr store1 > 1.368 )
     ((attr store1 < 2.379 and attr store1 > 2.319 ) and 
      (bondedto (attr store1 < 88.9330545657  and attr store1 > 88.1330545657 ) or 
       bondedto (attr store1 < 136.657163697  and attr store1 > 135.857163697) or 
       bondedto (attr store1 < 41.2089454343  and attr store1 > 40.4089454343 ))) 
6 0.1 0.1 peak 3100 volume 8.1575 ppm1 2.349 ppm2 1.418
 
! ############### c13noe.3101 folded -
assi (attr store1 < 0.948 and attr store1 > 0.848 )
     ((attr store1 < 2.379 and attr store1 > 2.319 ) and 
      (bondedto (attr store1 < 88.9470545657  and attr store1 > 88.1470545657 ) or 
       bondedto (attr store1 < 136.671163697  and attr store1 > 135.871163697) or 
       bondedto (attr store1 < 41.2229454343  and attr store1 > 40.4229454343 ))) 
6 0.1 0.1 peak 3101 volume 12.52492 ppm1 2.349 ppm2 0.898
 
! ############### c13noe.3102 folded -
assi (attr store1 < 1.694 and attr store1 > 1.594 )
     ((attr store1 < 2.365 and attr store1 > 2.305 ) and 
      (bondedto (attr store1 < 88.9950545657  and attr store1 > 88.1950545657 ) or 
       bondedto (attr store1 < 136.719163697  and attr store1 > 135.919163697) or 
       bondedto (attr store1 < 41.2709454343  and attr store1 > 40.4709454343 ))) 
6 0.1 0.1 peak 3102 volume 7.61499 ppm1 2.335 ppm2 1.644
 
! ############### c13noe.3103 folded -
assi (attr store1 < 1.002 and attr store1 > 0.902 )
     ((attr store1 < 2.362 and attr store1 > 2.302 ) and 
      (bondedto (attr store1 < 88.9980545657  and attr store1 > 88.1980545657 ) or 
       bondedto (attr store1 < 136.722163697  and attr store1 > 135.922163697) or 
       bondedto (attr store1 < 41.2739454343  and attr store1 > 40.4739454343 ))) 
6 0.1 0.1 peak 3103 volume 12.21135 ppm1 2.332 ppm2 0.952
 
! ############### c13noe.3104 folded -
assi (attr store1 < 0.917 and attr store1 > 0.817 )
     ((attr store1 < 2.359 and attr store1 > 2.299 ) and 
      (bondedto (attr store1 < 88.9910545657  and attr store1 > 88.1910545657 ) or 
       bondedto (attr store1 < 136.715163697  and attr store1 > 135.915163697) or 
       bondedto (attr store1 < 41.2669454343  and attr store1 > 40.4669454343 ))) 
6 0.1 0.1 peak 3104 volume 12.95044 ppm1 2.329 ppm2 0.867
 
! ############### c13noe.3105 folded -
assi (attr store1 < 1.607 and attr store1 > 1.507 )
     ((attr store1 < 2.351 and attr store1 > 2.291 ) and 
      (bondedto (attr store1 < 88.9680545657  and attr store1 > 88.1680545657 ) or 
       bondedto (attr store1 < 136.692163697  and attr store1 > 135.892163697) or 
       bondedto (attr store1 < 41.2439454343  and attr store1 > 40.4439454343 ))) 
6 0.1 0.1 peak 3105 volume 17.07364 ppm1 2.321 ppm2 1.557
 
! ############### c13noe.3106 folded -
assi (attr store1 < 0.968 and attr store1 > 0.868 )
     ((attr store1 < 2.352 and attr store1 > 2.292 ) and 
      (bondedto (attr store1 < 88.9520545657  and attr store1 > 88.1520545657 ) or 
       bondedto (attr store1 < 136.676163697  and attr store1 > 135.876163697) or 
       bondedto (attr store1 < 41.2279454343  and attr store1 > 40.4279454343 ))) 
6 0.1 0.1 peak 3106 volume 13.23255 ppm1 2.322 ppm2 0.918
 
! ############### c13noe.3107 folded -
assi (attr store1 < 7.774 and attr store1 > 7.674 )
     ((attr store1 < 1.609 and attr store1 > 1.549 ) and 
      (bondedto (attr store1 < 88.9840545657  and attr store1 > 88.1840545657 ) or 
       bondedto (attr store1 < 136.708163697  and attr store1 > 135.908163697) or 
       bondedto (attr store1 < 41.2599454343  and attr store1 > 40.4599454343 ))) 
6 0.1 0.1 peak 3107 volume 8.36774 ppm1 1.579 ppm2 7.724
 
! ############### c13noe.3108 folded -
assi (attr store1 < 4.077 and attr store1 > 3.977 )
     ((attr store1 < 1.581 and attr store1 > 1.521 ) and 
      (bondedto (attr store1 < 88.9810545657  and attr store1 > 88.1810545657 ) or 
       bondedto (attr store1 < 136.705163697  and attr store1 > 135.905163697) or 
       bondedto (attr store1 < 41.2569454343  and attr store1 > 40.4569454343 ))) 
6 0.1 0.1 peak 3108 volume 7.99612 ppm1 1.551 ppm2 4.027
 
! ############### c13noe.3109 folded -
assi (attr store1 < 7.769 and attr store1 > 7.669 )
     ((attr store1 < 1.575 and attr store1 > 1.515 ) and 
      (bondedto (attr store1 < 88.9820545657  and attr store1 > 88.1820545657 ) or 
       bondedto (attr store1 < 136.706163697  and attr store1 > 135.906163697) or 
       bondedto (attr store1 < 41.2579454343  and attr store1 > 40.4579454343 ))) 
6 0.1 0.1 peak 3109 volume 7.447 ppm1 1.545 ppm2 7.719
 
! ############### c13noe.3110 folded -
assi (attr store1 < 0.97 and attr store1 > 0.87 )
     ((attr store1 < 1.575 and attr store1 > 1.515 ) and 
      (bondedto (attr store1 < 88.9480545657  and attr store1 > 88.1480545657 ) or 
       bondedto (attr store1 < 136.672163697  and attr store1 > 135.872163697) or 
       bondedto (attr store1 < 41.2239454343  and attr store1 > 40.4239454343 ))) 
6 0.1 0.1 peak 3110 volume 21.03325 ppm1 1.545 ppm2 0.920
 
! ############### c13noe.3111 folded -
assi (attr store1 < 0.867 and attr store1 > 0.767 )
     ((attr store1 < 1.491 and attr store1 > 1.431 ) and 
      (bondedto (attr store1 < 88.9520545657  and attr store1 > 88.1520545657 ) or 
       bondedto (attr store1 < 136.676163697  and attr store1 > 135.876163697) or 
       bondedto (attr store1 < 41.2279454343  and attr store1 > 40.4279454343 ))) 
6 0.1 0.1 peak 3111 volume 13.30555 ppm1 1.461 ppm2 0.817
 
! ############### c13noe.3112 folded -
assi (attr store1 < 4.217 and attr store1 > 4.117 )
     ((attr store1 < 1.482 and attr store1 > 1.422 ) and 
      (bondedto (attr store1 < 88.9480545657  and attr store1 > 88.1480545657 ) or 
       bondedto (attr store1 < 136.672163697  and attr store1 > 135.872163697) or 
       bondedto (attr store1 < 41.2239454343  and attr store1 > 40.4239454343 ))) 
6 0.1 0.1 peak 3112 volume 8.63155 ppm1 1.452 ppm2 4.167
 
! ############### c13noe.3113 folded -
assi (attr store1 < 8.585 and attr store1 > 8.485 )
     ((attr store1 < 1.477 and attr store1 > 1.417 ) and 
      (bondedto (attr store1 < 88.9220545657  and attr store1 > 88.1220545657 ) or 
       bondedto (attr store1 < 136.646163697  and attr store1 > 135.846163697) or 
       bondedto (attr store1 < 41.1979454343  and attr store1 > 40.3979454343 ))) 
6 0.1 0.1 peak 3113 volume 6.77008 ppm1 1.447 ppm2 8.535
 
! ############### c13noe.3114 folded -
assi (attr store1 < 1.1 and attr store1 > 1.0 )
     ((attr store1 < 1.477 and attr store1 > 1.417 ) and 
      (bondedto (attr store1 < 88.9620545657  and attr store1 > 88.1620545657 ) or 
       bondedto (attr store1 < 136.686163697  and attr store1 > 135.886163697) or 
       bondedto (attr store1 < 41.2379454343  and attr store1 > 40.4379454343 ))) 
6 0.1 0.1 peak 3114 volume 18.47219 ppm1 1.447 ppm2 1.050
 
! ############### c13noe.3115 folded -
assi (attr store1 < 2.398 and attr store1 > 2.298 )
     ((attr store1 < 1.47 and attr store1 > 1.41 ) and 
      (bondedto (attr store1 < 88.9590545657  and attr store1 > 88.1590545657 ) or 
       bondedto (attr store1 < 136.683163697  and attr store1 > 135.883163697) or 
       bondedto (attr store1 < 41.2349454343  and attr store1 > 40.4349454343 ))) 
6 0.1 0.1 peak 3115 volume 10.15957 ppm1 1.440 ppm2 2.348
 
! ############### c13noe.3116 folded -
assi (attr store1 < 8.583 and attr store1 > 8.483 )
     ((attr store1 < 1.464 and attr store1 > 1.404 ) and 
      (bondedto (attr store1 < 88.9230545657  and attr store1 > 88.1230545657 ) or 
       bondedto (attr store1 < 136.647163697  and attr store1 > 135.847163697) or 
       bondedto (attr store1 < 41.1989454343  and attr store1 > 40.3989454343 ))) 
6 0.1 0.1 peak 3116 volume 6.71525 ppm1 1.434 ppm2 8.533
 
! ############### c13noe.3117 folded -
assi (attr store1 < 8.498 and attr store1 > 8.398 )
     ((attr store1 < 1.456 and attr store1 > 1.396 ) and 
      (bondedto (attr store1 < 88.9850545657  and attr store1 > 88.1850545657 ) or 
       bondedto (attr store1 < 136.709163697  and attr store1 > 135.909163697) or 
       bondedto (attr store1 < 41.2609454343  and attr store1 > 40.4609454343 ))) 
6 0.1 0.1 peak 3117 volume 7.42615 ppm1 1.426 ppm2 8.448
 
! ############### c13noe.3118 folded -
assi (attr store1 < 0.945 and attr store1 > 0.845 )
     ((attr store1 < 1.453 and attr store1 > 1.393 ) and 
      (bondedto (attr store1 < 88.9630545657  and attr store1 > 88.1630545657 ) or 
       bondedto (attr store1 < 136.687163697  and attr store1 > 135.887163697) or 
       bondedto (attr store1 < 41.2389454343  and attr store1 > 40.4389454343 ))) 
6 0.1 0.1 peak 3118 volume 37.07463 ppm1 1.423 ppm2 0.895
 
! ############### c13noe.3119 folded -
assi (attr store1 < 4.216 and attr store1 > 4.116 )
     ((attr store1 < 1.446 and attr store1 > 1.386 ) and 
      (bondedto (attr store1 < 88.9490545657  and attr store1 > 88.1490545657 ) or 
       bondedto (attr store1 < 136.673163697  and attr store1 > 135.873163697) or 
       bondedto (attr store1 < 41.2249454343  and attr store1 > 40.4249454343 ))) 
6 0.1 0.1 peak 3119 volume 7.21038 ppm1 1.416 ppm2 4.166
 
! ############### c13noe.3120 folded +
assi (attr store1 < 1.034 and attr store1 > 0.934 )
     ((attr store1 < 1.327 and attr store1 > 1.267 ) and 
      (bondedto (attr store1 < 112.701109131  and attr store1 > 111.901109131 ) or 
       bondedto (attr store1 < 64.977  and attr store1 > 64.177 ) or 
       bondedto (attr store1 < 17.2528908686  and attr store1 > 16.4528908686 ))) 
6 0.1 0.1 peak 3120 volume 16.02255 ppm1 1.297 ppm2 0.984
 
! ############### c13noe.3121 folded +
assi (attr store1 < 1.035 and attr store1 > 0.935 )
     ((attr store1 < 0.706 and attr store1 > 0.646 ) and 
      (bondedto (attr store1 < 112.695109131  and attr store1 > 111.895109131 ) or 
       bondedto (attr store1 < 64.971  and attr store1 > 64.171 ) or 
       bondedto (attr store1 < 17.2468908686  and attr store1 > 16.4468908686 ))) 
6 0.1 0.1 peak 3121 volume 18.66020 ppm1 0.676 ppm2 0.985
 
! ############### c13noe.3122 folded -
assi (attr store1 < 3.717 and attr store1 > 3.617 )
     ((attr store1 < 3.866 and attr store1 > 3.806 ) and 
      (bondedto (attr store1 < 88.8790545657  and attr store1 > 88.0790545657 ) or 
       bondedto (attr store1 < 136.603163697  and attr store1 > 135.803163697) or 
       bondedto (attr store1 < 41.1549454343  and attr store1 > 40.3549454343 ))) 
6 0.1 0.1 peak 3122 volume 13.80581 ppm1 3.836 ppm2 3.667
 
! ############### c13noe.3123 folded -
assi (attr store1 < 3.887 and attr store1 > 3.787 )
     ((attr store1 < 3.698 and attr store1 > 3.638 ) and 
      (bondedto (attr store1 < 88.8890545657  and attr store1 > 88.0890545657 ) or 
       bondedto (attr store1 < 136.613163697  and attr store1 > 135.813163697) or 
       bondedto (attr store1 < 41.1649454343  and attr store1 > 40.3649454343 ))) 
6 0.1 0.1 peak 3123 volume 14.91399 ppm1 3.668 ppm2 3.837
 
! ############### c13noe.3124 folded -
assi (attr store1 < 0.927 and attr store1 > 0.827 )
     ((attr store1 < 1.532 and attr store1 > 1.472 ) and 
      (bondedto (attr store1 < 88.8920545657  and attr store1 > 88.0920545657 ) or 
       bondedto (attr store1 < 136.616163697  and attr store1 > 135.816163697) or 
       bondedto (attr store1 < 41.1679454343  and attr store1 > 40.3679454343 ))) 
6 0.1 0.1 peak 3124 volume 17.35072 ppm1 1.502 ppm2 0.877
 
! ############### c13noe.3125 folded -
assi (attr store1 < 2.108 and attr store1 > 2.008 )
     ((attr store1 < 1.492 and attr store1 > 1.432 ) and 
      (bondedto (attr store1 < 88.8720545657  and attr store1 > 88.0720545657 ) or 
       bondedto (attr store1 < 136.596163697  and attr store1 > 135.796163697) or 
       bondedto (attr store1 < 41.1479454343  and attr store1 > 40.3479454343 ))) 
6 0.1 0.1 peak 3125 volume 11.19648 ppm1 1.462 ppm2 2.058
 
! ############### c13noe.3126 folded -
assi (attr store1 < 1.095 and attr store1 > 0.995 )
     ((attr store1 < 1.465 and attr store1 > 1.405 ) and 
      (bondedto (attr store1 < 88.8920545657  and attr store1 > 88.0920545657 ) or 
       bondedto (attr store1 < 136.616163697  and attr store1 > 135.816163697) or 
       bondedto (attr store1 < 41.1679454343  and attr store1 > 40.3679454343 ))) 
6 0.1 0.1 peak 3126 volume 17.17967 ppm1 1.435 ppm2 1.045
 
! ############### c13noe.3127 folded -
assi (attr store1 < 0.433 and attr store1 > 0.333 )
     ((attr store1 < 1.463 and attr store1 > 1.403 ) and 
      (bondedto (attr store1 < 88.8320545657  and attr store1 > 88.0320545657 ) or 
       bondedto (attr store1 < 136.556163697  and attr store1 > 135.756163697) or 
       bondedto (attr store1 < 41.1079454343  and attr store1 > 40.3079454343 ))) 
6 0.1 0.1 peak 3127 volume 8.74477 ppm1 1.433 ppm2 0.383
 
! ############### c13noe.3128 folded -
assi (attr store1 < 1.488 and attr store1 > 1.388 )
     ((attr store1 < 0.41 and attr store1 > 0.35 ) and 
      (bondedto (attr store1 < 88.8700545657  and attr store1 > 88.0700545657 ) or 
       bondedto (attr store1 < 136.594163697  and attr store1 > 135.794163697) or 
       bondedto (attr store1 < 41.1459454343  and attr store1 > 40.3459454343 ))) 
6 0.1 0.1 peak 3128 volume 7.22707 ppm1 0.380 ppm2 1.438
 
! ############### c13noe.3129 folded -
assi (attr store1 < 0.815 and attr store1 > 0.715 )
     ((attr store1 < 0.401 and attr store1 > 0.341 ) and 
      (bondedto (attr store1 < 88.8310545657  and attr store1 > 88.0310545657 ) or 
       bondedto (attr store1 < 136.555163697  and attr store1 > 135.755163697) or 
       bondedto (attr store1 < 41.1069454343  and attr store1 > 40.3069454343 ))) 
6 0.1 0.1 peak 3129 volume 9.53093 ppm1 0.371 ppm2 0.765
 
! ############### c13noe.3130 folded +
assi (attr store1 < 3.214 and attr store1 > 3.114 )
     ((attr store1 < 3.28 and attr store1 > 3.22 ) and 
      (bondedto (attr store1 < 112.667109131  and attr store1 > 111.867109131 ) or 
       bondedto (attr store1 < 64.943  and attr store1 > 64.143 ) or 
       bondedto (attr store1 < 17.2188908686  and attr store1 > 16.4188908686 ))) 
6 0.1 0.1 peak 3130 volume 20.77227 ppm1 3.250 ppm2 3.164
 
! ############### c13noe.3131 folded +
assi (attr store1 < 3.299 and attr store1 > 3.199 )
     ((attr store1 < 3.187 and attr store1 > 3.127 ) and 
      (bondedto (attr store1 < 112.673109131  and attr store1 > 111.873109131 ) or 
       bondedto (attr store1 < 64.949  and attr store1 > 64.149 ) or 
       bondedto (attr store1 < 17.2248908686  and attr store1 > 16.4248908686 ))) 
6 0.1 0.1 peak 3131 volume 23.11226 ppm1 3.157 ppm2 3.249
 
! ############### c13noe.3132 folded +
assi (attr store1 < 3.799 and attr store1 > 3.699 )
     ((attr store1 < 1.042 and attr store1 > 0.982 ) and 
      (bondedto (attr store1 < 112.660109131  and attr store1 > 111.860109131 ) or 
       bondedto (attr store1 < 64.936  and attr store1 > 64.136 ) or 
       bondedto (attr store1 < 17.2118908686  and attr store1 > 16.4118908686 ))) 
6 0.1 0.1 peak 3132 volume 15.33751 ppm1 1.012 ppm2 3.749
 
! ############### c13noe.3133 folded +
assi (attr store1 < 8.417 and attr store1 > 8.317 )
     ((attr store1 < 1.038 and attr store1 > 0.978 ) and 
      (bondedto (attr store1 < 112.655109131  and attr store1 > 111.855109131 ) or 
       bondedto (attr store1 < 64.931  and attr store1 > 64.131 ) or 
       bondedto (attr store1 < 17.2068908686  and attr store1 > 16.4068908686 ))) 
6 0.1 0.1 peak 3133 volume 10.08998 ppm1 1.008 ppm2 8.367
 
! ############### c13noe.3134 folded +
assi (attr store1 < 3.949 and attr store1 > 3.849 )
     ((attr store1 < 1.033 and attr store1 > 0.973 ) and 
      (bondedto (attr store1 < 112.672109131  and attr store1 > 111.872109131 ) or 
       bondedto (attr store1 < 64.948  and attr store1 > 64.148 ) or 
       bondedto (attr store1 < 17.2238908686  and attr store1 > 16.4238908686 ))) 
6 0.1 0.1 peak 3134 volume 8.82154 ppm1 1.003 ppm2 3.899
 
! ############### c13noe.3135 folded +
assi (attr store1 < 8.416 and attr store1 > 8.316 )
     ((attr store1 < 0.983 and attr store1 > 0.923 ) and 
      (bondedto (attr store1 < 112.664109131  and attr store1 > 111.864109131 ) or 
       bondedto (attr store1 < 64.94  and attr store1 > 64.14 ) or 
       bondedto (attr store1 < 17.2158908686  and attr store1 > 16.4158908686 ))) 
6 0.1 0.1 peak 3135 volume 10.22291 ppm1 0.953 ppm2 8.366
 
! ############### c13noe.3136 folded +
assi (attr store1 < 3.794 and attr store1 > 3.694 )
     ((attr store1 < 0.983 and attr store1 > 0.923 ) and 
      (bondedto (attr store1 < 112.654109131  and attr store1 > 111.854109131 ) or 
       bondedto (attr store1 < 64.93  and attr store1 > 64.13 ) or 
       bondedto (attr store1 < 17.2058908686  and attr store1 > 16.4058908686 ))) 
6 0.1 0.1 peak 3136 volume 16.19566 ppm1 0.953 ppm2 3.744
 
! ############### c13noe.3137 folded +
assi (attr store1 < 0.925 and attr store1 > 0.825 )
     ((attr store1 < 0.585 and attr store1 > 0.525 ) and 
      (bondedto (attr store1 < 112.610109131  and attr store1 > 111.810109131 ) or 
       bondedto (attr store1 < 64.886  and attr store1 > 64.086 ) or 
       bondedto (attr store1 < 17.1618908686  and attr store1 > 16.3618908686 ))) 
6 0.1 0.1 peak 3137 volume 21.36090 ppm1 0.555 ppm2 0.875
 
! ############### c13noe.3138 folded +
assi (attr store1 < 0.846 and attr store1 > 0.746 )
     ((attr store1 < 0.522 and attr store1 > 0.462 ) and 
      (bondedto (attr store1 < 112.608109131  and attr store1 > 111.808109131 ) or 
       bondedto (attr store1 < 64.884  and attr store1 > 64.084 ) or 
       bondedto (attr store1 < 17.1598908686  and attr store1 > 16.3598908686 ))) 
6 0.1 0.1 peak 3138 volume 9.49576 ppm1 0.492 ppm2 0.796
 
! ############### c13noe.3139 folded -
assi (attr store1 < 0.94 and attr store1 > 0.84 )
     ((attr store1 < 2.096 and attr store1 > 2.036 ) and 
      (bondedto (attr store1 < 88.7470545657  and attr store1 > 87.9470545657 ) or 
       bondedto (attr store1 < 136.471163697  and attr store1 > 135.671163697) or 
       bondedto (attr store1 < 41.0229454343  and attr store1 > 40.2229454343 ))) 
6 0.1 0.1 peak 3139 volume 14.02135 ppm1 2.066 ppm2 0.890
 
! ############### c13noe.3140 folded -
assi (attr store1 < 1.095 and attr store1 > 0.995 )
     ((attr store1 < 2.094 and attr store1 > 2.034 ) and 
      (bondedto (attr store1 < 88.7490545657  and attr store1 > 87.9490545657 ) or 
       bondedto (attr store1 < 136.473163697  and attr store1 > 135.673163697) or 
       bondedto (attr store1 < 41.0249454343  and attr store1 > 40.2249454343 ))) 
6 0.1 0.1 peak 3140 volume 8.67759 ppm1 2.064 ppm2 1.045
 
! ############### c13noe.3141 folded -
assi (attr store1 < 0.984 and attr store1 > 0.884 )
     ((attr store1 < 2.094 and attr store1 > 2.034 ) and 
      (bondedto (attr store1 < 88.7470545657  and attr store1 > 87.9470545657 ) or 
       bondedto (attr store1 < 136.471163697  and attr store1 > 135.671163697) or 
       bondedto (attr store1 < 41.0229454343  and attr store1 > 40.2229454343 ))) 
6 0.1 0.1 peak 3141 volume 15.6203 ppm1 2.064 ppm2 0.934
 
! ############### c13noe.3142 folded -
assi (attr store1 < 8.492 and attr store1 > 8.392 )
     ((attr store1 < 1.489 and attr store1 > 1.429 ) and 
      (bondedto (attr store1 < 88.7630545657  and attr store1 > 87.9630545657 ) or 
       bondedto (attr store1 < 136.487163697  and attr store1 > 135.687163697) or 
       bondedto (attr store1 < 41.0389454343  and attr store1 > 40.2389454343 ))) 
6 0.1 0.1 peak 3142 volume 7.87838 ppm1 1.459 ppm2 8.442
 
! ############### c13noe.3143 folded +
assi (attr store1 < 1.63 and attr store1 > 1.53 )
     ((attr store1 < 2.571 and attr store1 > 2.511 ) and 
      (bondedto (attr store1 < 112.509109131  and attr store1 > 111.709109131 ) or 
       bondedto (attr store1 < 64.785  and attr store1 > 63.985 ) or 
       bondedto (attr store1 < 17.0608908686  and attr store1 > 16.2608908686 ))) 
6 0.1 0.1 peak 3143 volume 15.27005 ppm1 2.541 ppm2 1.580
 
! ############### c13noe.3144 folded +
assi (attr store1 < 2.365 and attr store1 > 2.265 )
     ((attr store1 < 1.991 and attr store1 > 1.931 ) and 
      (bondedto (attr store1 < 112.526109131  and attr store1 > 111.726109131 ) or 
       bondedto (attr store1 < 64.802  and attr store1 > 64.002 ) or 
       bondedto (attr store1 < 17.0778908686  and attr store1 > 16.2778908686 ))) 
6 0.1 0.1 peak 3144 volume 14.70500 ppm1 1.961 ppm2 2.315
 
! ############### c13noe.3145 folded +
assi (attr store1 < 4.091 and attr store1 > 3.991 )
     ((attr store1 < 1.634 and attr store1 > 1.574 ) and 
      (bondedto (attr store1 < 112.509109131  and attr store1 > 111.709109131 ) or 
       bondedto (attr store1 < 64.785  and attr store1 > 63.985 ) or 
       bondedto (attr store1 < 17.0608908686  and attr store1 > 16.2608908686 ))) 
6 0.1 0.1 peak 3145 volume 7.75233 ppm1 1.604 ppm2 4.041
 
! ############### c13noe.3146 folded +
assi (attr store1 < 8.575 and attr store1 > 8.475 )
     ((attr store1 < 1.63 and attr store1 > 1.57 ) and 
      (bondedto (attr store1 < 112.522109131  and attr store1 > 111.722109131 ) or 
       bondedto (attr store1 < 64.798  and attr store1 > 63.998 ) or 
       bondedto (attr store1 < 17.0738908686  and attr store1 > 16.2738908686 ))) 
6 0.1 0.1 peak 3146 volume 8.06199 ppm1 1.600 ppm2 8.525
 
! ############### c13noe.3147 folded +
assi (attr store1 < 4.568 and attr store1 > 4.468 )
     ((attr store1 < 1.614 and attr store1 > 1.554 ) and 
      (bondedto (attr store1 < 112.524109131  and attr store1 > 111.724109131 ) or 
       bondedto (attr store1 < 64.8  and attr store1 > 64.0 ) or 
       bondedto (attr store1 < 17.0758908686  and attr store1 > 16.2758908686 ))) 
6 0.1 0.1 peak 3147 volume 6.64783 ppm1 1.584 ppm2 4.518
 
! ############### c13noe.3148 folded -
assi (attr store1 < 0.978 and attr store1 > 0.878 )
     ((attr store1 < 2.107 and attr store1 > 2.047 ) and 
      (bondedto (attr store1 < 88.7050545657  and attr store1 > 87.9050545657 ) or 
       bondedto (attr store1 < 136.429163697  and attr store1 > 135.629163697) or 
       bondedto (attr store1 < 40.9809454343  and attr store1 > 40.1809454343 ))) 
6 0.1 0.1 peak 3148 volume 15.82395 ppm1 2.077 ppm2 0.928
 
! ############### c13noe.3149 folded -
assi (attr store1 < 1.508 and attr store1 > 1.408 )
     ((attr store1 < 2.096 and attr store1 > 2.036 ) and 
      (bondedto (attr store1 < 88.7250545657  and attr store1 > 87.9250545657 ) or 
       bondedto (attr store1 < 136.449163697  and attr store1 > 135.649163697) or 
       bondedto (attr store1 < 41.0009454343  and attr store1 > 40.2009454343 ))) 
6 0.1 0.1 peak 3149 volume 9.92468 ppm1 2.066 ppm2 1.458
 
! ############### c13noe.3150 folded -
assi (attr store1 < 2.23 and attr store1 > 2.13 )
     ((attr store1 < 1.875 and attr store1 > 1.815 ) and 
      (bondedto (attr store1 < 88.6910545657  and attr store1 > 87.8910545657 ) or 
       bondedto (attr store1 < 136.415163697  and attr store1 > 135.615163697) or 
       bondedto (attr store1 < 40.9669454343  and attr store1 > 40.1669454343 ))) 
6 0.1 0.1 peak 3150 volume 8.43547 ppm1 1.845 ppm2 2.180
 
! ############### c13noe.3151 folded +
assi (attr store1 < 4.737 and attr store1 > 4.637 )
     ((attr store1 < 4.078 and attr store1 > 4.018 ) and 
      (bondedto (attr store1 < 112.426109131  and attr store1 > 111.626109131 ) or 
       bondedto (attr store1 < 64.702  and attr store1 > 63.902 ) or 
       bondedto (attr store1 < 16.9778908686  and attr store1 > 16.1778908686 ))) 
6 0.1 0.1 peak 3151 volume 8.69383 ppm1 4.048 ppm2 4.687
 
! ############### c13noe.3152 folded +
assi (attr store1 < 3.44 and attr store1 > 3.34 )
     ((attr store1 < 4.073 and attr store1 > 4.013 ) and 
      (bondedto (attr store1 < 112.451109131  and attr store1 > 111.651109131 ) or 
       bondedto (attr store1 < 64.727  and attr store1 > 63.927 ) or 
       bondedto (attr store1 < 17.0028908686  and attr store1 > 16.2028908686 ))) 
6 0.1 0.1 peak 3152 volume 9.29476 ppm1 4.043 ppm2 3.390
 
! ############### c13noe.3153 folded +
assi (attr store1 < 0.89 and attr store1 > 0.79 )
     ((attr store1 < 4.073 and attr store1 > 4.013 ) and 
      (bondedto (attr store1 < 112.426109131  and attr store1 > 111.626109131 ) or 
       bondedto (attr store1 < 64.702  and attr store1 > 63.902 ) or 
       bondedto (attr store1 < 16.9778908686  and attr store1 > 16.1778908686 ))) 
6 0.1 0.1 peak 3153 volume 11.97625 ppm1 4.043 ppm2 0.840
 
! ############### c13noe.3154 folded +
assi (attr store1 < 7.781 and attr store1 > 7.681 )
     ((attr store1 < 4.071 and attr store1 > 4.011 ) and 
      (bondedto (attr store1 < 112.412109131  and attr store1 > 111.612109131 ) or 
       bondedto (attr store1 < 64.688  and attr store1 > 63.888 ) or 
       bondedto (attr store1 < 16.9638908686  and attr store1 > 16.1638908686 ))) 
6 0.1 0.1 peak 3154 volume 16.37281 ppm1 4.041 ppm2 7.731
 
! ############### c13noe.3155 folded +
assi (attr store1 < 7.594 and attr store1 > 7.494 )
     ((attr store1 < 4.069 and attr store1 > 4.009 ) and 
      (bondedto (attr store1 < 112.427109131  and attr store1 > 111.627109131 ) or 
       bondedto (attr store1 < 64.703  and attr store1 > 63.903 ) or 
       bondedto (attr store1 < 16.9788908686  and attr store1 > 16.1788908686 ))) 
6 0.1 0.1 peak 3155 volume 8.30794 ppm1 4.039 ppm2 7.544
 
! ############### c13noe.3156 folded +
assi (attr store1 < 3.945 and attr store1 > 3.845 )
     ((attr store1 < 4.072 and attr store1 > 4.012 ) and 
      (bondedto (attr store1 < 112.439109131  and attr store1 > 111.639109131 ) or 
       bondedto (attr store1 < 64.715  and attr store1 > 63.915 ) or 
       bondedto (attr store1 < 16.9908908686  and attr store1 > 16.1908908686 ))) 
6 0.1 0.1 peak 3156 volume 73.64742 ppm1 4.042 ppm2 3.895
 
! ############### c13noe.3157 folded +
assi (attr store1 < 1.091 and attr store1 > 0.991 )
     ((attr store1 < 4.071 and attr store1 > 4.011 ) and 
      (bondedto (attr store1 < 112.433109131  and attr store1 > 111.633109131 ) or 
       bondedto (attr store1 < 64.709  and attr store1 > 63.909 ) or 
       bondedto (attr store1 < 16.9848908686  and attr store1 > 16.1848908686 ))) 
6 0.1 0.1 peak 3157 volume 8.65982 ppm1 4.041 ppm2 1.041
 
! ############### c13noe.3158 folded +
assi (attr store1 < 0.994 and attr store1 > 0.894 )
     ((attr store1 < 4.068 and attr store1 > 4.008 ) and 
      (bondedto (attr store1 < 112.459109131  and attr store1 > 111.659109131 ) or 
       bondedto (attr store1 < 64.735  and attr store1 > 63.935 ) or 
       bondedto (attr store1 < 17.0108908686  and attr store1 > 16.2108908686 ))) 
6 0.1 0.1 peak 3158 volume 10.66122 ppm1 4.038 ppm2 0.944
 
! ############### c13noe.3159 folded +
assi (attr store1 < 4.59 and attr store1 > 4.49 )
     ((attr store1 < 4.066 and attr store1 > 4.006 ) and 
      (bondedto (attr store1 < 112.416109131  and attr store1 > 111.616109131 ) or 
       bondedto (attr store1 < 64.692  and attr store1 > 63.892 ) or 
       bondedto (attr store1 < 16.9678908686  and attr store1 > 16.1678908686 ))) 
6 0.1 0.1 peak 3159 volume 18.18332 ppm1 4.036 ppm2 4.540
 
! ############### c13noe.3160 folded +
assi (attr store1 < 1.006 and attr store1 > 0.906 )
     ((attr store1 < 3.926 and attr store1 > 3.866 ) and 
      (bondedto (attr store1 < 112.463109131  and attr store1 > 111.663109131 ) or 
       bondedto (attr store1 < 64.739  and attr store1 > 63.939 ) or 
       bondedto (attr store1 < 17.0148908686  and attr store1 > 16.2148908686 ))) 
6 0.1 0.1 peak 3160 volume 11.70493 ppm1 3.896 ppm2 0.956
 
! ############### c13noe.3161 folded +
assi (attr store1 < 7.779 and attr store1 > 7.679 )
     ((attr store1 < 3.923 and attr store1 > 3.863 ) and 
      (bondedto (attr store1 < 112.434109131  and attr store1 > 111.634109131 ) or 
       bondedto (attr store1 < 64.71  and attr store1 > 63.91 ) or 
       bondedto (attr store1 < 16.9858908686  and attr store1 > 16.1858908686 ))) 
6 0.1 0.1 peak 3161 volume 17.40679 ppm1 3.893 ppm2 7.729
 
! ############### c13noe.3162 folded +
assi (attr store1 < 2.012 and attr store1 > 1.912 )
     ((attr store1 < 2.335 and attr store1 > 2.275 ) and 
      (bondedto (attr store1 < 112.452109131  and attr store1 > 111.652109131 ) or 
       bondedto (attr store1 < 64.728  and attr store1 > 63.928 ) or 
       bondedto (attr store1 < 17.0038908686  and attr store1 > 16.2038908686 ))) 
6 0.1 0.1 peak 3162 volume 18.86796 ppm1 2.305 ppm2 1.962
 
! ############### c13noe.3163 folded +
assi (attr store1 < 1.636 and attr store1 > 1.536 )
     ((attr store1 < 2.216 and attr store1 > 2.156 ) and 
      (bondedto (attr store1 < 112.471109131  and attr store1 > 111.671109131 ) or 
       bondedto (attr store1 < 64.747  and attr store1 > 63.947 ) or 
       bondedto (attr store1 < 17.0228908686  and attr store1 > 16.2228908686 ))) 
6 0.1 0.1 peak 3163 volume 9.80924 ppm1 2.186 ppm2 1.586
 
! ############### c13noe.3164 folded +
assi (attr store1 < 1.631 and attr store1 > 1.531 )
     ((attr store1 < 1.923 and attr store1 > 1.863 ) and 
      (bondedto (attr store1 < 112.457109131  and attr store1 > 111.657109131 ) or 
       bondedto (attr store1 < 64.733  and attr store1 > 63.933 ) or 
       bondedto (attr store1 < 17.0088908686  and attr store1 > 16.2088908686 ))) 
6 0.1 0.1 peak 3164 volume 29.70473 ppm1 1.893 ppm2 1.581
 
! ############### c13noe.3165 folded +
assi (attr store1 < 8.574 and attr store1 > 8.474 )
     ((attr store1 < 1.641 and attr store1 > 1.581 ) and 
      (bondedto (attr store1 < 112.479109131  and attr store1 > 111.679109131 ) or 
       bondedto (attr store1 < 64.755  and attr store1 > 63.955 ) or 
       bondedto (attr store1 < 17.0308908686  and attr store1 > 16.2308908686 ))) 
6 0.1 0.1 peak 3165 volume 8.21792 ppm1 1.611 ppm2 8.524
 
! ############### c13noe.3166 folded +
assi (attr store1 < 4.564 and attr store1 > 4.464 )
     ((attr store1 < 1.639 and attr store1 > 1.579 ) and 
      (bondedto (attr store1 < 112.450109131  and attr store1 > 111.650109131 ) or 
       bondedto (attr store1 < 64.726  and attr store1 > 63.926 ) or 
       bondedto (attr store1 < 17.0018908686  and attr store1 > 16.2018908686 ))) 
6 0.1 0.1 peak 3166 volume 8.96727 ppm1 1.609 ppm2 4.514
 
! ############### c13noe.3167 folded +
assi (attr store1 < 6.895 and attr store1 > 6.795 )
     ((attr store1 < 1.636 and attr store1 > 1.576 ) and 
      (bondedto (attr store1 < 112.481109131  and attr store1 > 111.681109131 ) or 
       bondedto (attr store1 < 64.757  and attr store1 > 63.957 ) or 
       bondedto (attr store1 < 17.0328908686  and attr store1 > 16.2328908686 ))) 
6 0.1 0.1 peak 3167 volume 10.27208 ppm1 1.606 ppm2 6.845
 
! ############### c13noe.3168 folded +
assi (attr store1 < 0.653 and attr store1 > 0.553 )
     ((attr store1 < 1.634 and attr store1 > 1.574 ) and 
      (bondedto (attr store1 < 112.470109131  and attr store1 > 111.670109131 ) or 
       bondedto (attr store1 < 64.746  and attr store1 > 63.946 ) or 
       bondedto (attr store1 < 17.0218908686  and attr store1 > 16.2218908686 ))) 
6 0.1 0.1 peak 3168 volume 25.07387 ppm1 1.604 ppm2 0.603
 
! ############### c13noe.3169 folded +
assi (attr store1 < 4.585 and attr store1 > 4.485 )
     ((attr store1 < 1.606 and attr store1 > 1.546 ) and 
      (bondedto (attr store1 < 112.478109131  and attr store1 > 111.678109131 ) or 
       bondedto (attr store1 < 64.754  and attr store1 > 63.954 ) or 
       bondedto (attr store1 < 17.0298908686  and attr store1 > 16.2298908686 ))) 
6 0.1 0.1 peak 3169 volume 6.79071 ppm1 1.576 ppm2 4.535
 
! ############### c13noe.3170 folded +
assi (attr store1 < 4.083 and attr store1 > 3.983 )
     ((attr store1 < 1.595 and attr store1 > 1.535 ) and 
      (bondedto (attr store1 < 112.462109131  and attr store1 > 111.662109131 ) or 
       bondedto (attr store1 < 64.738  and attr store1 > 63.938 ) or 
       bondedto (attr store1 < 17.0138908686  and attr store1 > 16.2138908686 ))) 
6 0.1 0.1 peak 3170 volume 6.66565 ppm1 1.565 ppm2 4.033
 
! ############### c13noe.3171 folded +
assi (attr store1 < 8.587 and attr store1 > 8.487 )
     ((attr store1 < 1.592 and attr store1 > 1.532 ) and 
      (bondedto (attr store1 < 112.483109131  and attr store1 > 111.683109131 ) or 
       bondedto (attr store1 < 64.759  and attr store1 > 63.959 ) or 
       bondedto (attr store1 < 17.0348908686  and attr store1 > 16.2348908686 ))) 
6 0.1 0.1 peak 3171 volume 8.43036 ppm1 1.562 ppm2 8.537
 
! ############### c13noe.3172 folded +
assi (attr store1 < 6.898 and attr store1 > 6.798 )
     ((attr store1 < 1.592 and attr store1 > 1.532 ) and 
      (bondedto (attr store1 < 112.458109131  and attr store1 > 111.658109131 ) or 
       bondedto (attr store1 < 64.734  and attr store1 > 63.934 ) or 
       bondedto (attr store1 < 17.0098908686  and attr store1 > 16.2098908686 ))) 
6 0.1 0.1 peak 3172 volume 11.96774 ppm1 1.562 ppm2 6.848
 
! ############### c13noe.3173 folded +
assi (attr store1 < 4.562 and attr store1 > 4.462 )
     ((attr store1 < 1.584 and attr store1 > 1.524 ) and 
      (bondedto (attr store1 < 112.447109131  and attr store1 > 111.647109131 ) or 
       bondedto (attr store1 < 64.723  and attr store1 > 63.923 ) or 
       bondedto (attr store1 < 16.9988908686  and attr store1 > 16.1988908686 ))) 
6 0.1 0.1 peak 3173 volume 8.35801 ppm1 1.554 ppm2 4.512
 
! ############### c13noe.3174 folded +
assi (attr store1 < 0.653 and attr store1 > 0.553 )
     ((attr store1 < 1.587 and attr store1 > 1.527 ) and 
      (bondedto (attr store1 < 112.459109131  and attr store1 > 111.659109131 ) or 
       bondedto (attr store1 < 64.735  and attr store1 > 63.935 ) or 
       bondedto (attr store1 < 17.0108908686  and attr store1 > 16.2108908686 ))) 
6 0.1 0.1 peak 3174 volume 23.58337 ppm1 1.557 ppm2 0.603
 
! ############### c13noe.3175 folded +
assi (attr store1 < 1.631 and attr store1 > 1.531 )
     ((attr store1 < 1.3 and attr store1 > 1.24 ) and 
      (bondedto (attr store1 < 112.473109131  and attr store1 > 111.673109131 ) or 
       bondedto (attr store1 < 64.749  and attr store1 > 63.949 ) or 
       bondedto (attr store1 < 17.0248908686  and attr store1 > 16.2248908686 ))) 
6 0.1 0.1 peak 3175 volume 36.57293 ppm1 1.270 ppm2 1.581
 
! ############### c13noe.3176 folded +
assi (attr store1 < 1.638 and attr store1 > 1.538 )
     ((attr store1 < 0.655 and attr store1 > 0.595 ) and 
      (bondedto (attr store1 < 112.467109131  and attr store1 > 111.667109131 ) or 
       bondedto (attr store1 < 64.743  and attr store1 > 63.943 ) or 
       bondedto (attr store1 < 17.0188908686  and attr store1 > 16.2188908686 ))) 
6 0.1 0.1 peak 3176 volume 15.08243 ppm1 0.625 ppm2 1.588
 
! ############### c13noe.3177 folded +
assi (attr store1 < 1.112 and attr store1 > 1.012 )
     ((attr store1 < 3.928 and attr store1 > 3.868 ) and 
      (bondedto (attr store1 < 112.366109131  and attr store1 > 111.566109131 ) or 
       bondedto (attr store1 < 64.642  and attr store1 > 63.842 ) or 
       bondedto (attr store1 < 16.9178908686  and attr store1 > 16.1178908686 ))) 
6 0.1 0.1 peak 3177 volume 10.05379 ppm1 3.898 ppm2 1.062
 
! ############### c13noe.3178 folded +
assi (attr store1 < 3.447 and attr store1 > 3.347 )
     ((attr store1 < 3.922 and attr store1 > 3.862 ) and 
      (bondedto (attr store1 < 112.384109131  and attr store1 > 111.584109131 ) or 
       bondedto (attr store1 < 64.66  and attr store1 > 63.86 ) or 
       bondedto (attr store1 < 16.9358908686  and attr store1 > 16.1358908686 ))) 
6 0.1 0.1 peak 3178 volume 9.31407 ppm1 3.892 ppm2 3.397
 
! ############### c13noe.3179 folded +
assi (attr store1 < 0.892 and attr store1 > 0.792 )
     ((attr store1 < 3.922 and attr store1 > 3.862 ) and 
      (bondedto (attr store1 < 112.392109131  and attr store1 > 111.592109131 ) or 
       bondedto (attr store1 < 64.668  and attr store1 > 63.868 ) or 
       bondedto (attr store1 < 16.9438908686  and attr store1 > 16.1438908686 ))) 
6 0.1 0.1 peak 3179 volume 15.31656 ppm1 3.892 ppm2 0.842
 
! ############### c13noe.3180 folded +
assi (attr store1 < 2.017 and attr store1 > 1.917 )
     ((attr store1 < 2.349 and attr store1 > 2.289 ) and 
      (bondedto (attr store1 < 112.383109131  and attr store1 > 111.583109131 ) or 
       bondedto (attr store1 < 64.659  and attr store1 > 63.859 ) or 
       bondedto (attr store1 < 16.9348908686  and attr store1 > 16.1348908686 ))) 
6 0.1 0.1 peak 3180 volume 18.23189 ppm1 2.319 ppm2 1.967
 
! ############### c13noe.3181 folded -
assi (attr store1 < 2.708 and attr store1 > 2.608 )
     ((attr store1 < 2.904 and attr store1 > 2.844 ) and 
      (bondedto (attr store1 < 88.5050545657  and attr store1 > 87.7050545657 ) or 
       bondedto (attr store1 < 136.229163697  and attr store1 > 135.429163697) or 
       bondedto (attr store1 < 40.7809454343  and attr store1 > 39.9809454343 ))) 
6 0.1 0.1 peak 3181 volume 62.37449 ppm1 2.874 ppm2 2.658
 
! ############### c13noe.3182 folded -
assi (attr store1 < 8.505 and attr store1 > 8.405 )
     ((attr store1 < 2.9 and attr store1 > 2.84 ) and 
      (bondedto (attr store1 < 88.4920545657  and attr store1 > 87.6920545657 ) or 
       bondedto (attr store1 < 136.216163697  and attr store1 > 135.416163697) or 
       bondedto (attr store1 < 40.7679454343  and attr store1 > 39.9679454343 ))) 
6 0.1 0.1 peak 3182 volume 21.33044 ppm1 2.870 ppm2 8.455
 
! ############### c13noe.3183 folded -
assi (attr store1 < 4.478 and attr store1 > 4.378 )
     ((attr store1 < 2.897 and attr store1 > 2.837 ) and 
      (bondedto (attr store1 < 88.4760545657  and attr store1 > 87.6760545657 ) or 
       bondedto (attr store1 < 136.200163697  and attr store1 > 135.400163697) or 
       bondedto (attr store1 < 40.7519454343  and attr store1 > 39.9519454343 ))) 
6 0.1 0.1 peak 3183 volume 15.67648 ppm1 2.867 ppm2 4.428
 
! ############### c13noe.3184 folded -
assi (attr store1 < 7.818 and attr store1 > 7.718 )
     ((attr store1 < 2.895 and attr store1 > 2.835 ) and 
      (bondedto (attr store1 < 88.5110545657  and attr store1 > 87.7110545657 ) or 
       bondedto (attr store1 < 136.235163697  and attr store1 > 135.435163697) or 
       bondedto (attr store1 < 40.7869454343  and attr store1 > 39.9869454343 ))) 
6 0.1 0.1 peak 3184 volume 10.02249 ppm1 2.865 ppm2 7.768
 
! ############### c13noe.3185 folded -
assi (attr store1 < 4.187 and attr store1 > 4.087 )
     ((attr store1 < 2.896 and attr store1 > 2.836 ) and 
      (bondedto (attr store1 < 88.4910545657  and attr store1 > 87.6910545657 ) or 
       bondedto (attr store1 < 136.215163697  and attr store1 > 135.415163697) or 
       bondedto (attr store1 < 40.7669454343  and attr store1 > 39.9669454343 ))) 
6 0.1 0.1 peak 3185 volume 14.13509 ppm1 2.866 ppm2 4.137
 
! ############### c13noe.3186 folded -
assi (attr store1 < 4.189 and attr store1 > 4.089 )
     ((attr store1 < 2.694 and attr store1 > 2.634 ) and 
      (bondedto (attr store1 < 88.4770545657  and attr store1 > 87.6770545657 ) or 
       bondedto (attr store1 < 136.201163697  and attr store1 > 135.401163697) or 
       bondedto (attr store1 < 40.7529454343  and attr store1 > 39.9529454343 ))) 
6 0.1 0.1 peak 3186 volume 13.6537 ppm1 2.664 ppm2 4.139
 
! ############### c13noe.3187 folded -
assi (attr store1 < 8.5 and attr store1 > 8.4 )
     ((attr store1 < 2.691 and attr store1 > 2.631 ) and 
      (bondedto (attr store1 < 88.4940545657  and attr store1 > 87.6940545657 ) or 
       bondedto (attr store1 < 136.218163697  and attr store1 > 135.418163697) or 
       bondedto (attr store1 < 40.7699454343  and attr store1 > 39.9699454343 ))) 
6 0.1 0.1 peak 3187 volume 20.72329 ppm1 2.661 ppm2 8.450
 
! ############### c13noe.3188 folded -
assi (attr store1 < 2.914 and attr store1 > 2.814 )
     ((attr store1 < 2.69 and attr store1 > 2.63 ) and 
      (bondedto (attr store1 < 88.5280545657  and attr store1 > 87.7280545657 ) or 
       bondedto (attr store1 < 136.252163697  and attr store1 > 135.452163697) or 
       bondedto (attr store1 < 40.8039454343  and attr store1 > 40.0039454343 ))) 
6 0.1 0.1 peak 3188 volume 72.52897 ppm1 2.660 ppm2 2.864
 
! ############### c13noe.3189 folded -
assi (attr store1 < 7.823 and attr store1 > 7.723 )
     ((attr store1 < 2.686 and attr store1 > 2.626 ) and 
      (bondedto (attr store1 < 88.5010545657  and attr store1 > 87.7010545657 ) or 
       bondedto (attr store1 < 136.225163697  and attr store1 > 135.425163697) or 
       bondedto (attr store1 < 40.7769454343  and attr store1 > 39.9769454343 ))) 
6 0.1 0.1 peak 3189 volume 10.91339 ppm1 2.656 ppm2 7.773
 
! ############### c13noe.3190 folded -
assi (attr store1 < 1.631 and attr store1 > 1.531 )
     ((attr store1 < 1.868 and attr store1 > 1.808 ) and 
      (bondedto (attr store1 < 88.4840545657  and attr store1 > 87.6840545657 ) or 
       bondedto (attr store1 < 136.208163697  and attr store1 > 135.408163697) or 
       bondedto (attr store1 < 40.7599454343  and attr store1 > 39.9599454343 ))) 
6 0.1 0.1 peak 3190 volume 19.67794 ppm1 1.838 ppm2 1.581
 
! ############### c13noe.3191 folded -
assi (attr store1 < 1.86 and attr store1 > 1.76 )
     ((attr store1 < 1.753 and attr store1 > 1.693 ) and 
      (bondedto (attr store1 < 88.4680545657  and attr store1 > 87.6680545657 ) or 
       bondedto (attr store1 < 136.192163697  and attr store1 > 135.392163697) or 
       bondedto (attr store1 < 40.7439454343  and attr store1 > 39.9439454343 ))) 
6 0.1 0.1 peak 3191 volume 10.53333 ppm1 1.723 ppm2 1.810
 
! ############### c13noe.3192 folded -
assi (attr store1 < 1.251 and attr store1 > 1.151 )
     ((attr store1 < 1.484 and attr store1 > 1.424 ) and 
      (bondedto (attr store1 < 88.4860545657  and attr store1 > 87.6860545657 ) or 
       bondedto (attr store1 < 136.210163697  and attr store1 > 135.410163697) or 
       bondedto (attr store1 < 40.7619454343  and attr store1 > 39.9619454343 ))) 
6 0.1 0.1 peak 3192 volume 17.33839 ppm1 1.454 ppm2 1.201
 
! ############### c13noe.3193 folded +
assi (attr store1 < 7.966 and attr store1 > 7.866 )
     ((attr store1 < 3.98 and attr store1 > 3.92 ) and 
      (bondedto (attr store1 < 112.256109131  and attr store1 > 111.456109131 ) or 
       bondedto (attr store1 < 64.532  and attr store1 > 63.732 ) or 
       bondedto (attr store1 < 16.8078908686  and attr store1 > 16.0078908686 ))) 
6 0.1 0.1 peak 3193 volume 15.65923 ppm1 3.950 ppm2 7.916
 
! ############### c13noe.3194 folded +
assi (attr store1 < 2.094 and attr store1 > 1.994 )
     ((attr store1 < 3.98 and attr store1 > 3.92 ) and 
      (bondedto (attr store1 < 112.228109131  and attr store1 > 111.428109131 ) or 
       bondedto (attr store1 < 64.504  and attr store1 > 63.704 ) or 
       bondedto (attr store1 < 16.7798908686  and attr store1 > 15.9798908686 ))) 
6 0.1 0.1 peak 3194 volume 20.99615 ppm1 3.950 ppm2 2.044
 
! ############### c13noe.3195 folded +
assi (attr store1 < 2.017 and attr store1 > 1.917 )
     ((attr store1 < 3.981 and attr store1 > 3.921 ) and 
      (bondedto (attr store1 < 112.263109131  and attr store1 > 111.463109131 ) or 
       bondedto (attr store1 < 64.539  and attr store1 > 63.739 ) or 
       bondedto (attr store1 < 16.8148908686  and attr store1 > 16.0148908686 ))) 
6 0.1 0.1 peak 3195 volume 27.88585 ppm1 3.951 ppm2 1.967
 
! ############### c13noe.3196 folded +
assi (attr store1 < 1.475 and attr store1 > 1.375 )
     ((attr store1 < 3.984 and attr store1 > 3.924 ) and 
      (bondedto (attr store1 < 112.245109131  and attr store1 > 111.445109131 ) or 
       bondedto (attr store1 < 64.521  and attr store1 > 63.721 ) or 
       bondedto (attr store1 < 16.7968908686  and attr store1 > 15.9968908686 ))) 
6 0.1 0.1 peak 3196 volume 14.94277 ppm1 3.954 ppm2 1.425
 
! ############### c13noe.3197 folded +
assi (attr store1 < 1.128 and attr store1 > 1.028 )
     ((attr store1 < 3.979 and attr store1 > 3.919 ) and 
      (bondedto (attr store1 < 112.276109131  and attr store1 > 111.476109131 ) or 
       bondedto (attr store1 < 64.552  and attr store1 > 63.752 ) or 
       bondedto (attr store1 < 16.8278908686  and attr store1 > 16.0278908686 ))) 
6 0.1 0.1 peak 3197 volume 10.74240 ppm1 3.949 ppm2 1.078
 
! ############### c13noe.3198 folded +
assi (attr store1 < 0.918 and attr store1 > 0.818 )
     ((attr store1 < 3.98 and attr store1 > 3.92 ) and 
      (bondedto (attr store1 < 112.265109131  and attr store1 > 111.465109131 ) or 
       bondedto (attr store1 < 64.541  and attr store1 > 63.741 ) or 
       bondedto (attr store1 < 16.8168908686  and attr store1 > 16.0168908686 ))) 
6 0.1 0.1 peak 3198 volume 20.60159 ppm1 3.950 ppm2 0.868
 
! ############### c13noe.3199 folded +
assi (attr store1 < 1.651 and attr store1 > 1.551 )
     ((attr store1 < 3.979 and attr store1 > 3.919 ) and 
      (bondedto (attr store1 < 112.256109131  and attr store1 > 111.456109131 ) or 
       bondedto (attr store1 < 64.532  and attr store1 > 63.732 ) or 
       bondedto (attr store1 < 16.8078908686  and attr store1 > 16.0078908686 ))) 
6 0.1 0.1 peak 3199 volume 24.44182 ppm1 3.949 ppm2 1.601
 
! ############### c13noe.3200 folded +
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 3.926 and attr store1 > 3.866 ) and 
      (bondedto (attr store1 < 112.243109131  and attr store1 > 111.443109131 ) or 
       bondedto (attr store1 < 64.519  and attr store1 > 63.719 ) or 
       bondedto (attr store1 < 16.7948908686  and attr store1 > 15.9948908686 ))) 
6 0.1 0.1 peak 3200 volume 19.08012 ppm1 3.896 ppm2 4.686
 
! ############### c13noe.3201 folded +
assi (attr store1 < 1.877 and attr store1 > 1.777 )
     ((attr store1 < 2.344 and attr store1 > 2.284 ) and 
      (bondedto (attr store1 < 112.232109131  and attr store1 > 111.432109131 ) or 
       bondedto (attr store1 < 64.508  and attr store1 > 63.708 ) or 
       bondedto (attr store1 < 16.7838908686  and attr store1 > 15.9838908686 ))) 
6 0.1 0.1 peak 3201 volume 22.98200 ppm1 2.314 ppm2 1.827
 
! ############### c13noe.3202 folded +
assi (attr store1 < 1.904 and attr store1 > 1.804 )
     ((attr store1 < 0.981 and attr store1 > 0.921 ) and 
      (bondedto (attr store1 < 112.258109131  and attr store1 > 111.458109131 ) or 
       bondedto (attr store1 < 64.534  and attr store1 > 63.734 ) or 
       bondedto (attr store1 < 16.8098908686  and attr store1 > 16.0098908686 ))) 
6 0.1 0.1 peak 3202 volume 10.36143 ppm1 0.951 ppm2 1.854
 
! ############### c13noe.3203 folded -
assi (attr store1 < 3.21 and attr store1 > 3.11 )
     ((attr store1 < 3.288 and attr store1 > 3.228 ) and 
      (bondedto (attr store1 < 88.3660545657  and attr store1 > 87.5660545657 ) or 
       bondedto (attr store1 < 136.090163697  and attr store1 > 135.290163697) or 
       bondedto (attr store1 < 40.6419454343  and attr store1 > 39.8419454343 ))) 
6 0.1 0.1 peak 3203 volume 23.18109 ppm1 3.258 ppm2 3.160
 
! ############### c13noe.3204 folded -
assi (attr store1 < 3.305 and attr store1 > 3.205 )
     ((attr store1 < 3.191 and attr store1 > 3.131 ) and 
      (bondedto (attr store1 < 88.4080545657  and attr store1 > 87.6080545657 ) or 
       bondedto (attr store1 < 136.132163697  and attr store1 > 135.332163697) or 
       bondedto (attr store1 < 40.6839454343  and attr store1 > 39.8839454343 ))) 
6 0.1 0.1 peak 3204 volume 27.96865 ppm1 3.161 ppm2 3.255
 
! ############### c13noe.3205 folded -
assi (attr store1 < 4.484 and attr store1 > 4.384 )
     ((attr store1 < 2.695 and attr store1 > 2.635 ) and 
      (bondedto (attr store1 < 88.4350545657  and attr store1 > 87.6350545657 ) or 
       bondedto (attr store1 < 136.159163697  and attr store1 > 135.359163697) or 
       bondedto (attr store1 < 40.7109454343  and attr store1 > 39.9109454343 ))) 
6 0.1 0.1 peak 3205 volume 26.84339 ppm1 2.665 ppm2 4.434
 
! ############### c13noe.3206 folded -
assi (attr store1 < 0.958 and attr store1 > 0.858 )
     ((attr store1 < 2.689 and attr store1 > 2.629 ) and 
      (bondedto (attr store1 < 88.4120545657  and attr store1 > 87.6120545657 ) or 
       bondedto (attr store1 < 136.136163697  and attr store1 > 135.336163697) or 
       bondedto (attr store1 < 40.6879454343  and attr store1 > 39.8879454343 ))) 
6 0.1 0.1 peak 3206 volume 9.48674 ppm1 2.659 ppm2 0.908
 
! ############### c13noe.3207 folded -
assi (attr store1 < 4.481 and attr store1 > 4.381 )
     ((attr store1 < 1.864 and attr store1 > 1.804 ) and 
      (bondedto (attr store1 < 88.3930545657  and attr store1 > 87.5930545657 ) or 
       bondedto (attr store1 < 136.117163697  and attr store1 > 135.317163697) or 
       bondedto (attr store1 < 40.6689454343  and attr store1 > 39.8689454343 ))) 
6 0.1 0.1 peak 3207 volume 8.2736 ppm1 1.834 ppm2 4.431
 
! ############### c13noe.3208 folded -
assi (attr store1 < 3.816 and attr store1 > 3.716 )
     ((attr store1 < 1.866 and attr store1 > 1.806 ) and 
      (bondedto (attr store1 < 88.3850545657  and attr store1 > 87.5850545657 ) or 
       bondedto (attr store1 < 136.109163697  and attr store1 > 135.309163697) or 
       bondedto (attr store1 < 40.6609454343  and attr store1 > 39.8609454343 ))) 
6 0.1 0.1 peak 3208 volume 13.27004 ppm1 1.836 ppm2 3.766
 
! ############### c13noe.3209 folded -
assi (attr store1 < 3.529 and attr store1 > 3.429 )
     ((attr store1 < 1.859 and attr store1 > 1.799 ) and 
      (bondedto (attr store1 < 88.3880545657  and attr store1 > 87.5880545657 ) or 
       bondedto (attr store1 < 136.112163697  and attr store1 > 135.312163697) or 
       bondedto (attr store1 < 40.6639454343  and attr store1 > 39.8639454343 ))) 
6 0.1 0.1 peak 3209 volume 9.27347 ppm1 1.829 ppm2 3.479
 
! ############### c13noe.3210 folded -
assi (attr store1 < 1.169 and attr store1 > 1.069 )
     ((attr store1 < 1.863 and attr store1 > 1.803 ) and 
      (bondedto (attr store1 < 88.3710545657  and attr store1 > 87.5710545657 ) or 
       bondedto (attr store1 < 136.095163697  and attr store1 > 135.295163697) or 
       bondedto (attr store1 < 40.6469454343  and attr store1 > 39.8469454343 ))) 
6 0.1 0.1 peak 3210 volume 52.52536 ppm1 1.833 ppm2 1.119
 
! ############### c13noe.3211 folded -
assi (attr store1 < 0.849 and attr store1 > 0.749 )
     ((attr store1 < 1.863 and attr store1 > 1.803 ) and 
      (bondedto (attr store1 < 88.4000545657  and attr store1 > 87.6000545657 ) or 
       bondedto (attr store1 < 136.124163697  and attr store1 > 135.324163697) or 
       bondedto (attr store1 < 40.6759454343  and attr store1 > 39.8759454343 ))) 
6 0.1 0.1 peak 3211 volume 30.56959 ppm1 1.833 ppm2 0.799
 
! ############### c13noe.3212 folded -
assi (attr store1 < 0.544 and attr store1 > 0.444 )
     ((attr store1 < 1.863 and attr store1 > 1.803 ) and 
      (bondedto (attr store1 < 88.4080545657  and attr store1 > 87.6080545657 ) or 
       bondedto (attr store1 < 136.132163697  and attr store1 > 135.332163697) or 
       bondedto (attr store1 < 40.6839454343  and attr store1 > 39.8839454343 ))) 
6 0.1 0.1 peak 3212 volume 13.1578 ppm1 1.833 ppm2 0.494
 
! ############### c13noe.3213 folded -
assi (attr store1 < 1.505 and attr store1 > 1.405 )
     ((attr store1 < 1.227 and attr store1 > 1.167 ) and 
      (bondedto (attr store1 < 88.4340545657  and attr store1 > 87.6340545657 ) or 
       bondedto (attr store1 < 136.158163697  and attr store1 > 135.358163697) or 
       bondedto (attr store1 < 40.7099454343  and attr store1 > 39.9099454343 ))) 
6 0.1 0.1 peak 3213 volume 15.85277 ppm1 1.197 ppm2 1.455
 
! ############### c13noe.3214 folded -
assi (attr store1 < 3.815 and attr store1 > 3.715 )
     ((attr store1 < 1.161 and attr store1 > 1.101 ) and 
      (bondedto (attr store1 < 88.4140545657  and attr store1 > 87.6140545657 ) or 
       bondedto (attr store1 < 136.138163697  and attr store1 > 135.338163697) or 
       bondedto (attr store1 < 40.6899454343  and attr store1 > 39.8899454343 ))) 
6 0.1 0.1 peak 3214 volume 9.19946 ppm1 1.131 ppm2 3.765
 
! ############### c13noe.3215 folded -
assi (attr store1 < 7.591 and attr store1 > 7.491 )
     ((attr store1 < 1.153 and attr store1 > 1.093 ) and 
      (bondedto (attr store1 < 88.3750545657  and attr store1 > 87.5750545657 ) or 
       bondedto (attr store1 < 136.099163697  and attr store1 > 135.299163697) or 
       bondedto (attr store1 < 40.6509454343  and attr store1 > 39.8509454343 ))) 
6 0.1 0.1 peak 3215 volume 13.57524 ppm1 1.123 ppm2 7.541
 
! ############### c13noe.3216 folded -
assi (attr store1 < 1.882 and attr store1 > 1.782 )
     ((attr store1 < 1.151 and attr store1 > 1.091 ) and 
      (bondedto (attr store1 < 88.3830545657  and attr store1 > 87.5830545657 ) or 
       bondedto (attr store1 < 136.107163697  and attr store1 > 135.307163697) or 
       bondedto (attr store1 < 40.6589454343  and attr store1 > 39.8589454343 ))) 
6 0.1 0.1 peak 3216 volume 54.10086 ppm1 1.121 ppm2 1.832
 
! ############### c13noe.3217 folded -
assi (attr store1 < 0.847 and attr store1 > 0.747 )
     ((attr store1 < 1.154 and attr store1 > 1.094 ) and 
      (bondedto (attr store1 < 88.3990545657  and attr store1 > 87.5990545657 ) or 
       bondedto (attr store1 < 136.123163697  and attr store1 > 135.323163697) or 
       bondedto (attr store1 < 40.6749454343  and attr store1 > 39.8749454343 ))) 
6 0.1 0.1 peak 3217 volume 25.98582 ppm1 1.124 ppm2 0.797
 
! ############### c13noe.3218 folded -
assi (attr store1 < 0.543 and attr store1 > 0.443 )
     ((attr store1 < 1.151 and attr store1 > 1.091 ) and 
      (bondedto (attr store1 < 88.3800545657  and attr store1 > 87.5800545657 ) or 
       bondedto (attr store1 < 136.104163697  and attr store1 > 135.304163697) or 
       bondedto (attr store1 < 40.6559454343  and attr store1 > 39.8559454343 ))) 
6 0.1 0.1 peak 3218 volume 18.45494 ppm1 1.121 ppm2 0.493
 
! ############### c13noe.3219 folded -
assi (attr store1 < 4.492 and attr store1 > 4.392 )
     ((attr store1 < 1.148 and attr store1 > 1.088 ) and 
      (bondedto (attr store1 < 88.4020545657  and attr store1 > 87.6020545657 ) or 
       bondedto (attr store1 < 136.126163697  and attr store1 > 135.326163697) or 
       bondedto (attr store1 < 40.6779454343  and attr store1 > 39.8779454343 ))) 
6 0.1 0.1 peak 3219 volume 6.02677 ppm1 1.118 ppm2 4.442
 
! ############### c13noe.3220 folded -
assi (attr store1 < 3.961 and attr store1 > 3.861 )
     ((attr store1 < 1.148 and attr store1 > 1.088 ) and 
      (bondedto (attr store1 < 88.3730545657  and attr store1 > 87.5730545657 ) or 
       bondedto (attr store1 < 136.097163697  and attr store1 > 135.297163697) or 
       bondedto (attr store1 < 40.6489454343  and attr store1 > 39.8489454343 ))) 
6 0.1 0.1 peak 3220 volume 16.51917 ppm1 1.118 ppm2 3.911
 
! ############### c13noe.3221 folded -
assi (attr store1 < 1.503 and attr store1 > 1.403 )
     ((attr store1 < 0.904 and attr store1 > 0.844 ) and 
      (bondedto (attr store1 < 88.4320545657  and attr store1 > 87.6320545657 ) or 
       bondedto (attr store1 < 136.156163697  and attr store1 > 135.356163697) or 
       bondedto (attr store1 < 40.7079454343  and attr store1 > 39.9079454343 ))) 
6 0.1 0.1 peak 3221 volume 8.90887 ppm1 0.874 ppm2 1.453
 
! ############### c13noe.3222 folded +
assi (attr store1 < 0.652 and attr store1 > 0.552 )
     ((attr store1 < 3.984 and attr store1 > 3.924 ) and 
      (bondedto (attr store1 < 112.200109131  and attr store1 > 111.400109131 ) or 
       bondedto (attr store1 < 64.476  and attr store1 > 63.676 ) or 
       bondedto (attr store1 < 16.7518908686  and attr store1 > 15.9518908686 ))) 
6 0.1 0.1 peak 3222 volume 11.09254 ppm1 3.954 ppm2 0.602
 
! ############### c13noe.3223 folded +
assi (attr store1 < 1.768 and attr store1 > 1.668 )
     ((attr store1 < 3.979 and attr store1 > 3.919 ) and 
      (bondedto (attr store1 < 112.165109131  and attr store1 > 111.365109131 ) or 
       bondedto (attr store1 < 64.441  and attr store1 > 63.641 ) or 
       bondedto (attr store1 < 16.7168908686  and attr store1 > 15.9168908686 ))) 
6 0.1 0.1 peak 3223 volume 7.96087 ppm1 3.949 ppm2 1.718
 
! ############### c13noe.3224 folded +
assi (attr store1 < 1.019 and attr store1 > 0.919 )
     ((attr store1 < 3.978 and attr store1 > 3.918 ) and 
      (bondedto (attr store1 < 112.195109131  and attr store1 > 111.395109131 ) or 
       bondedto (attr store1 < 64.471  and attr store1 > 63.671 ) or 
       bondedto (attr store1 < 16.7468908686  and attr store1 > 15.9468908686 ))) 
6 0.1 0.1 peak 3224 volume 9.23924 ppm1 3.948 ppm2 0.969
 
! ############### c13noe.3225 folded +
assi (attr store1 < 3.709 and attr store1 > 3.609 )
     ((attr store1 < 3.731 and attr store1 > 3.671 ) and 
      (bondedto (attr store1 < 112.169109131  and attr store1 > 111.369109131 ) or 
       bondedto (attr store1 < 64.445  and attr store1 > 63.645 ) or 
       bondedto (attr store1 < 16.7208908686  and attr store1 > 15.9208908686 ))) 
6 0.1 0.1 peak 3225 volume 14.73762 ppm1 3.701 ppm2 3.659
 
! ############### c13noe.3226 folded +
assi (attr store1 < 3.755 and attr store1 > 3.655 )
     ((attr store1 < 3.672 and attr store1 > 3.612 ) and 
      (bondedto (attr store1 < 112.201109131  and attr store1 > 111.401109131 ) or 
       bondedto (attr store1 < 64.477  and attr store1 > 63.677 ) or 
       bondedto (attr store1 < 16.7528908686  and attr store1 > 15.9528908686 ))) 
6 0.1 0.1 peak 3226 volume 15.55215 ppm1 3.642 ppm2 3.705
 
! ############### c13noe.3227 folded +
assi (attr store1 < 1.702 and attr store1 > 1.602 )
     ((attr store1 < 0.943 and attr store1 > 0.883 ) and 
      (bondedto (attr store1 < 112.205109131  and attr store1 > 111.405109131 ) or 
       bondedto (attr store1 < 64.481  and attr store1 > 63.681 ) or 
       bondedto (attr store1 < 16.7568908686  and attr store1 > 15.9568908686 ))) 
6 0.1 0.1 peak 3227 volume 7.88674 ppm1 0.913 ppm2 1.652
 
! ############### c13noe.3228 folded -
assi (attr store1 < 9.482 and attr store1 > 9.382 )
     ((attr store1 < 3.041 and attr store1 > 2.981 ) and 
      (bondedto (attr store1 < 88.3020545657  and attr store1 > 87.5020545657 ) or 
       bondedto (attr store1 < 136.026163697  and attr store1 > 135.226163697) or 
       bondedto (attr store1 < 40.5779454343  and attr store1 > 39.7779454343 ))) 
6 0.1 0.1 peak 3228 volume 10.70993 ppm1 3.011 ppm2 9.432
 
! ############### c13noe.3229 folded -
assi (attr store1 < 2.717 and attr store1 > 2.617 )
     ((attr store1 < 3.036 and attr store1 > 2.976 ) and 
      (bondedto (attr store1 < 88.2850545657  and attr store1 > 87.4850545657 ) or 
       bondedto (attr store1 < 136.009163697  and attr store1 > 135.209163697) or 
       bondedto (attr store1 < 40.5609454343  and attr store1 > 39.7609454343 ))) 
6 0.1 0.1 peak 3229 volume 34.59549 ppm1 3.006 ppm2 2.667
 
! ############### c13noe.3230 folded -
assi (attr store1 < 4.564 and attr store1 > 4.464 )
     ((attr store1 < 2.7 and attr store1 > 2.64 ) and 
      (bondedto (attr store1 < 88.3250545657  and attr store1 > 87.5250545657 ) or 
       bondedto (attr store1 < 136.049163697  and attr store1 > 135.249163697) or 
       bondedto (attr store1 < 40.6009454343  and attr store1 > 39.8009454343 ))) 
6 0.1 0.1 peak 3230 volume 13.12561 ppm1 2.670 ppm2 4.514
 
! ############### c13noe.3231 folded -
assi (attr store1 < 8.208 and attr store1 > 8.108 )
     ((attr store1 < 2.694 and attr store1 > 2.634 ) and 
      (bondedto (attr store1 < 88.3260545657  and attr store1 > 87.5260545657 ) or 
       bondedto (attr store1 < 136.050163697  and attr store1 > 135.250163697) or 
       bondedto (attr store1 < 40.6019454343  and attr store1 > 39.8019454343 ))) 
6 0.1 0.1 peak 3231 volume 6.4827 ppm1 2.664 ppm2 8.158
 
! ############### c13noe.3232 folded -
assi (attr store1 < 9.488 and attr store1 > 9.388 )
     ((attr store1 < 2.687 and attr store1 > 2.627 ) and 
      (bondedto (attr store1 < 88.2900545657  and attr store1 > 87.4900545657 ) or 
       bondedto (attr store1 < 136.014163697  and attr store1 > 135.214163697) or 
       bondedto (attr store1 < 40.5659454343  and attr store1 > 39.7659454343 ))) 
6 0.1 0.1 peak 3232 volume 11.73231 ppm1 2.657 ppm2 9.438
 
! ############### c13noe.3233 folded -
assi (attr store1 < 7.592 and attr store1 > 7.492 )
     ((attr store1 < 1.867 and attr store1 > 1.807 ) and 
      (bondedto (attr store1 < 88.3560545657  and attr store1 > 87.5560545657 ) or 
       bondedto (attr store1 < 136.080163697  and attr store1 > 135.280163697) or 
       bondedto (attr store1 < 40.6319454343  and attr store1 > 39.8319454343 ))) 
6 0.1 0.1 peak 3233 volume 18.19409 ppm1 1.837 ppm2 7.542
 
! ############### c13noe.3234 folded -
assi (attr store1 < 3.97 and attr store1 > 3.87 )
     ((attr store1 < 1.86 and attr store1 > 1.8 ) and 
      (bondedto (attr store1 < 88.3420545657  and attr store1 > 87.5420545657 ) or 
       bondedto (attr store1 < 136.066163697  and attr store1 > 135.266163697) or 
       bondedto (attr store1 < 40.6179454343  and attr store1 > 39.8179454343 ))) 
6 0.1 0.1 peak 3234 volume 15.5161 ppm1 1.830 ppm2 3.920
 
! ############### c13noe.3235 folded -
assi (attr store1 < 3.819 and attr store1 > 3.719 )
     ((attr store1 < 1.151 and attr store1 > 1.091 ) and 
      (bondedto (attr store1 < 88.3420545657  and attr store1 > 87.5420545657 ) or 
       bondedto (attr store1 < 136.066163697  and attr store1 > 135.266163697) or 
       bondedto (attr store1 < 40.6179454343  and attr store1 > 39.8179454343 ))) 
6 0.1 0.1 peak 3235 volume 9.82167 ppm1 1.121 ppm2 3.769
 
! ############### c13noe.3236 folded +
assi (attr store1 < 3.999 and attr store1 > 3.899 )
     ((attr store1 < 4.285 and attr store1 > 4.225 ) and 
      (bondedto (attr store1 < 112.110109131  and attr store1 > 111.310109131 ) or 
       bondedto (attr store1 < 64.386  and attr store1 > 63.586 ) or 
       bondedto (attr store1 < 16.6618908686  and attr store1 > 15.8618908686 ))) 
6 0.1 0.1 peak 3236 volume 17.81662 ppm1 4.255 ppm2 3.949
 
! ############### c13noe.3237 folded +
assi (attr store1 < 3.949 and attr store1 > 3.849 )
     ((attr store1 < 4.238 and attr store1 > 4.178 ) and 
      (bondedto (attr store1 < 112.085109131  and attr store1 > 111.285109131 ) or 
       bondedto (attr store1 < 64.361  and attr store1 > 63.561 ) or 
       bondedto (attr store1 < 16.6368908686  and attr store1 > 15.8368908686 ))) 
6 0.1 0.1 peak 3237 volume 25.72837 ppm1 4.208 ppm2 3.899
 
! ############### c13noe.3238 folded +
assi (attr store1 < 4.74 and attr store1 > 4.64 )
     ((attr store1 < 3.972 and attr store1 > 3.912 ) and 
      (bondedto (attr store1 < 112.108109131  and attr store1 > 111.308109131 ) or 
       bondedto (attr store1 < 64.384  and attr store1 > 63.584 ) or 
       bondedto (attr store1 < 16.6598908686  and attr store1 > 15.8598908686 ))) 
6 0.1 0.1 peak 3238 volume 48.70198 ppm1 3.942 ppm2 4.690
 
! ############### c13noe.3239 folded +
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 3.932 and attr store1 > 3.872 ) and 
      (bondedto (attr store1 < 112.070109131  and attr store1 > 111.270109131 ) or 
       bondedto (attr store1 < 64.346  and attr store1 > 63.546 ) or 
       bondedto (attr store1 < 16.6218908686  and attr store1 > 15.8218908686 ))) 
6 0.1 0.1 peak 3239 volume 19.75036 ppm1 3.902 ppm2 4.686
 
! ############### c13noe.3240 folded +
assi (attr store1 < 4.556 and attr store1 > 4.456 )
     ((attr store1 < 3.927 and attr store1 > 3.867 ) and 
      (bondedto (attr store1 < 112.111109131  and attr store1 > 111.311109131 ) or 
       bondedto (attr store1 < 64.387  and attr store1 > 63.587 ) or 
       bondedto (attr store1 < 16.6628908686  and attr store1 > 15.8628908686 ))) 
6 0.1 0.1 peak 3240 volume 55.37246 ppm1 3.897 ppm2 4.506
 
! ############### c13noe.3241 folded +
assi (attr store1 < 3.368 and attr store1 > 3.268 )
     ((attr store1 < 3.285 and attr store1 > 3.225 ) and 
      (bondedto (attr store1 < 112.110109131  and attr store1 > 111.310109131 ) or 
       bondedto (attr store1 < 64.386  and attr store1 > 63.586 ) or 
       bondedto (attr store1 < 16.6618908686  and attr store1 > 15.8618908686 ))) 
6 0.1 0.1 peak 3241 volume 12.24505 ppm1 3.255 ppm2 3.318
 
! ############### c13noe.3242 folded -
assi (attr store1 < 8.396 and attr store1 > 8.296 )
     ((attr store1 < 3.046 and attr store1 > 2.986 ) and 
      (bondedto (attr store1 < 88.2190545657  and attr store1 > 87.4190545657 ) or 
       bondedto (attr store1 < 135.943163697  and attr store1 > 135.143163697) or 
       bondedto (attr store1 < 40.4949454343  and attr store1 > 39.6949454343 ))) 
6 0.1 0.1 peak 3242 volume 12.12896 ppm1 3.016 ppm2 8.346
 
! ############### c13noe.3243 folded -
assi (attr store1 < 8.221 and attr store1 > 8.121 )
     ((attr store1 < 3.041 and attr store1 > 2.981 ) and 
      (bondedto (attr store1 < 88.2250545657  and attr store1 > 87.4250545657 ) or 
       bondedto (attr store1 < 135.949163697  and attr store1 > 135.149163697) or 
       bondedto (attr store1 < 40.5009454343  and attr store1 > 39.7009454343 ))) 
6 0.1 0.1 peak 3243 volume 12.56695 ppm1 3.011 ppm2 8.171
 
! ############### c13noe.3244 folded -
assi (attr store1 < 4.574 and attr store1 > 4.474 )
     ((attr store1 < 3.04 and attr store1 > 2.98 ) and 
      (bondedto (attr store1 < 88.2280545657  and attr store1 > 87.4280545657 ) or 
       bondedto (attr store1 < 135.952163697  and attr store1 > 135.152163697) or 
       bondedto (attr store1 < 40.5039454343  and attr store1 > 39.7039454343 ))) 
6 0.1 0.1 peak 3244 volume 20.68802 ppm1 3.010 ppm2 4.524
 
! ############### c13noe.3245 folded -
assi (attr store1 < 4.495 and attr store1 > 4.395 )
     ((attr store1 < 3.04 and attr store1 > 2.98 ) and 
      (bondedto (attr store1 < 88.2310545657  and attr store1 > 87.4310545657 ) or 
       bondedto (attr store1 < 135.955163697  and attr store1 > 135.155163697) or 
       bondedto (attr store1 < 40.5069454343  and attr store1 > 39.7069454343 ))) 
6 0.1 0.1 peak 3245 volume 21.53672 ppm1 3.010 ppm2 4.445
 
! ############### c13noe.3246 folded -
assi (attr store1 < 2.8 and attr store1 > 2.7 )
     ((attr store1 < 3.041 and attr store1 > 2.981 ) and 
      (bondedto (attr store1 < 88.2290545657  and attr store1 > 87.4290545657 ) or 
       bondedto (attr store1 < 135.953163697  and attr store1 > 135.153163697) or 
       bondedto (attr store1 < 40.5049454343  and attr store1 > 39.7049454343 ))) 
6 0.1 0.1 peak 3246 volume 46.60155 ppm1 3.011 ppm2 2.750
 
! ############### c13noe.3247 folded -
assi (attr store1 < 8.221 and attr store1 > 8.121 )
     ((attr store1 < 3.033 and attr store1 > 2.973 ) and 
      (bondedto (attr store1 < 88.2280545657  and attr store1 > 87.4280545657 ) or 
       bondedto (attr store1 < 135.952163697  and attr store1 > 135.152163697) or 
       bondedto (attr store1 < 40.5039454343  and attr store1 > 39.7039454343 ))) 
6 0.1 0.1 peak 3247 volume 12.45968 ppm1 3.003 ppm2 8.171
 
! ############### c13noe.3248 folded -
assi (attr store1 < 4.49 and attr store1 > 4.39 )
     ((attr store1 < 3.033 and attr store1 > 2.973 ) and 
      (bondedto (attr store1 < 88.2510545657  and attr store1 > 87.4510545657 ) or 
       bondedto (attr store1 < 135.975163697  and attr store1 > 135.175163697) or 
       bondedto (attr store1 < 40.5269454343  and attr store1 > 39.7269454343 ))) 
6 0.1 0.1 peak 3248 volume 21.6559 ppm1 3.003 ppm2 4.440
 
! ############### c13noe.3249 folded -
assi (attr store1 < 2.799 and attr store1 > 2.699 )
     ((attr store1 < 3.033 and attr store1 > 2.973 ) and 
      (bondedto (attr store1 < 88.2180545657  and attr store1 > 87.4180545657 ) or 
       bondedto (attr store1 < 135.942163697  and attr store1 > 135.142163697) or 
       bondedto (attr store1 < 40.4939454343  and attr store1 > 39.6939454343 ))) 
6 0.1 0.1 peak 3249 volume 46.73221 ppm1 3.003 ppm2 2.749
 
! ############### c13noe.3250 folded -
assi (attr store1 < 8.229 and attr store1 > 8.129 )
     ((attr store1 < 2.783 and attr store1 > 2.723 ) and 
      (bondedto (attr store1 < 88.2280545657  and attr store1 > 87.4280545657 ) or 
       bondedto (attr store1 < 135.952163697  and attr store1 > 135.152163697) or 
       bondedto (attr store1 < 40.5039454343  and attr store1 > 39.7039454343 ))) 
6 0.1 0.1 peak 3250 volume 10.57759 ppm1 2.753 ppm2 8.179
 
! ############### c13noe.3251 folded -
assi (attr store1 < 4.492 and attr store1 > 4.392 )
     ((attr store1 < 2.782 and attr store1 > 2.722 ) and 
      (bondedto (attr store1 < 88.2320545657  and attr store1 > 87.4320545657 ) or 
       bondedto (attr store1 < 135.956163697  and attr store1 > 135.156163697) or 
       bondedto (attr store1 < 40.5079454343  and attr store1 > 39.7079454343 ))) 
6 0.1 0.1 peak 3251 volume 16.64686 ppm1 2.752 ppm2 4.442
 
! ############### c13noe.3252 folded -
assi (attr store1 < 8.394 and attr store1 > 8.294 )
     ((attr store1 < 2.781 and attr store1 > 2.721 ) and 
      (bondedto (attr store1 < 88.2360545657  and attr store1 > 87.4360545657 ) or 
       bondedto (attr store1 < 135.960163697  and attr store1 > 135.160163697) or 
       bondedto (attr store1 < 40.5119454343  and attr store1 > 39.7119454343 ))) 
6 0.1 0.1 peak 3252 volume 14.22858 ppm1 2.751 ppm2 8.344
 
! ############### c13noe.3253 folded -
assi (attr store1 < 4.582 and attr store1 > 4.482 )
     ((attr store1 < 2.775 and attr store1 > 2.715 ) and 
      (bondedto (attr store1 < 88.2200545657  and attr store1 > 87.4200545657 ) or 
       bondedto (attr store1 < 135.944163697  and attr store1 > 135.144163697) or 
       bondedto (attr store1 < 40.4959454343  and attr store1 > 39.6959454343 ))) 
6 0.1 0.1 peak 3253 volume 13.97575 ppm1 2.745 ppm2 4.532
 
! ############### c13noe.3254 folded -
assi (attr store1 < 3.049 and attr store1 > 2.949 )
     ((attr store1 < 2.774 and attr store1 > 2.714 ) and 
      (bondedto (attr store1 < 88.2160545657  and attr store1 > 87.4160545657 ) or 
       bondedto (attr store1 < 135.940163697  and attr store1 > 135.140163697) or 
       bondedto (attr store1 < 40.4919454343  and attr store1 > 39.6919454343 ))) 
6 0.1 0.1 peak 3254 volume 52.43126 ppm1 2.744 ppm2 2.999
 
! ############### c13noe.3255 folded -
assi (attr store1 < 3.058 and attr store1 > 2.958 )
     ((attr store1 < 2.691 and attr store1 > 2.631 ) and 
      (bondedto (attr store1 < 88.2390545657  and attr store1 > 87.4390545657 ) or 
       bondedto (attr store1 < 135.963163697  and attr store1 > 135.163163697) or 
       bondedto (attr store1 < 40.5149454343  and attr store1 > 39.7149454343 ))) 
6 0.1 0.1 peak 3255 volume 36.9916 ppm1 2.661 ppm2 3.008
 
! ############### c13noe.3256 folded +
assi (attr store1 < 2.034 and attr store1 > 1.934 )
     ((attr store1 < 4.514 and attr store1 > 4.454 ) and 
      (bondedto (attr store1 < 111.950109131  and attr store1 > 111.150109131 ) or 
       bondedto (attr store1 < 64.226  and attr store1 > 63.426 ) or 
       bondedto (attr store1 < 16.5018908686  and attr store1 > 15.7018908686 ))) 
6 0.1 0.1 peak 3256 volume 18.73380 ppm1 4.484 ppm2 1.984
 
! ############### c13noe.3257 folded +
assi (attr store1 < 0.013 and attr store1 > -0.087 )
     ((attr store1 < 4.515 and attr store1 > 4.455 ) and 
      (bondedto (attr store1 < 111.984109131  and attr store1 > 111.184109131 ) or 
       bondedto (attr store1 < 64.26  and attr store1 > 63.46 ) or 
       bondedto (attr store1 < 16.5358908686  and attr store1 > 15.7358908686 ))) 
6 0.1 0.1 peak 3257 volume 8.10144 ppm1 4.485 ppm2 -0.037
 
! ############### c13noe.3258 folded +
assi (attr store1 < -0.402 and attr store1 > -0.502 )
     ((attr store1 < 4.509 and attr store1 > 4.449 ) and 
      (bondedto (attr store1 < 111.945109131  and attr store1 > 111.145109131 ) or 
       bondedto (attr store1 < 64.221  and attr store1 > 63.421 ) or 
       bondedto (attr store1 < 16.4968908686  and attr store1 > 15.6968908686 ))) 
6 0.1 0.1 peak 3258 volume 7.37956 ppm1 4.479 ppm2 -0.452
 
! ############### c13noe.3259 folded +
assi (attr store1 < 0.922 and attr store1 > 0.822 )
     ((attr store1 < 1.225 and attr store1 > 1.165 ) and 
      (bondedto (attr store1 < 111.996109131  and attr store1 > 111.196109131 ) or 
       bondedto (attr store1 < 64.272  and attr store1 > 63.472 ) or 
       bondedto (attr store1 < 16.5478908686  and attr store1 > 15.7478908686 ))) 
6 0.1 0.1 peak 3259 volume 11.10871 ppm1 1.195 ppm2 0.872
 
! ############### c13noe.3260 folded +
assi (attr store1 < 8.174 and attr store1 > 8.074 )
     ((attr store1 < 4.028 and attr store1 > 3.968 ) and 
      (bondedto (attr store1 < 111.854109131  and attr store1 > 111.054109131 ) or 
       bondedto (attr store1 < 64.13  and attr store1 > 63.33 ) or 
       bondedto (attr store1 < 16.4058908686  and attr store1 > 15.6058908686 ))) 
6 0.1 0.1 peak 3260 volume 34.98440 ppm1 3.998 ppm2 8.124
 
! ############### c13noe.3261 folded +
assi (attr store1 < 2.085 and attr store1 > 1.985 )
     ((attr store1 < 4.026 and attr store1 > 3.966 ) and 
      (bondedto (attr store1 < 111.860109131  and attr store1 > 111.060109131 ) or 
       bondedto (attr store1 < 64.136  and attr store1 > 63.336 ) or 
       bondedto (attr store1 < 16.4118908686  and attr store1 > 15.6118908686 ))) 
6 0.1 0.1 peak 3261 volume 7.80652 ppm1 3.996 ppm2 2.035
 
! ############### c13noe.3262 folded +
assi (attr store1 < 8.177 and attr store1 > 8.077 )
     ((attr store1 < 3.997 and attr store1 > 3.937 ) and 
      (bondedto (attr store1 < 111.849109131  and attr store1 > 111.049109131 ) or 
       bondedto (attr store1 < 64.125  and attr store1 > 63.325 ) or 
       bondedto (attr store1 < 16.4008908686  and attr store1 > 15.6008908686 ))) 
6 0.1 0.1 peak 3262 volume 34.98122 ppm1 3.967 ppm2 8.127
 
! ############### c13noe.3263 folded -
assi (attr store1 < 3.307 and attr store1 > 3.207 )
     ((attr store1 < 3.19 and attr store1 > 3.13 ) and 
      (bondedto (attr store1 < 88.0550545657  and attr store1 > 87.2550545657 ) or 
       bondedto (attr store1 < 135.779163697  and attr store1 > 134.979163697) or 
       bondedto (attr store1 < 40.3309454343  and attr store1 > 39.5309454343 ))) 
6 0.1 0.1 peak 3263 volume 19.41616 ppm1 3.160 ppm2 3.257
 
! ############### c13noe.3264 folded +
assi (attr store1 < 2.087 and attr store1 > 1.987 )
     ((attr store1 < 4.478 and attr store1 > 4.418 ) and 
      (bondedto (attr store1 < 111.760109131  and attr store1 > 110.960109131 ) or 
       bondedto (attr store1 < 64.036  and attr store1 > 63.236 ) or 
       bondedto (attr store1 < 16.3118908686  and attr store1 > 15.5118908686 ))) 
6 0.1 0.1 peak 3264 volume 22.68786 ppm1 4.448 ppm2 2.037
 
! ############### c13noe.3265 folded +
assi (attr store1 < 3.883 and attr store1 > 3.783 )
     ((attr store1 < 4.355 and attr store1 > 4.295 ) and 
      (bondedto (attr store1 < 111.786109131  and attr store1 > 110.986109131 ) or 
       bondedto (attr store1 < 64.062  and attr store1 > 63.262 ) or 
       bondedto (attr store1 < 16.3378908686  and attr store1 > 15.5378908686 ))) 
6 0.1 0.1 peak 3265 volume 22.69967 ppm1 4.325 ppm2 3.833
 
! ############### c13noe.3266 folded +
assi (attr store1 < 7.276 and attr store1 > 7.176 )
     ((attr store1 < 4.157 and attr store1 > 4.097 ) and 
      (bondedto (attr store1 < 111.793109131  and attr store1 > 110.993109131 ) or 
       bondedto (attr store1 < 64.069  and attr store1 > 63.269 ) or 
       bondedto (attr store1 < 16.3448908686  and attr store1 > 15.5448908686 ))) 
6 0.1 0.1 peak 3266 volume 8.28396 ppm1 4.127 ppm2 7.226
 
! ############### c13noe.3267 folded +
assi (attr store1 < 2.575 and attr store1 > 2.475 )
     ((attr store1 < 4.157 and attr store1 > 4.097 ) and 
      (bondedto (attr store1 < 111.767109131  and attr store1 > 110.967109131 ) or 
       bondedto (attr store1 < 64.043  and attr store1 > 63.243 ) or 
       bondedto (attr store1 < 16.3188908686  and attr store1 > 15.5188908686 ))) 
6 0.1 0.1 peak 3267 volume 7.31437 ppm1 4.127 ppm2 2.525
 
! ############### c13noe.3268 folded +
assi (attr store1 < 8.619 and attr store1 > 8.519 )
     ((attr store1 < 4.153 and attr store1 > 4.093 ) and 
      (bondedto (attr store1 < 111.774109131  and attr store1 > 110.974109131 ) or 
       bondedto (attr store1 < 64.05  and attr store1 > 63.25 ) or 
       bondedto (attr store1 < 16.3258908686  and attr store1 > 15.5258908686 ))) 
6 0.1 0.1 peak 3268 volume 16.03309 ppm1 4.123 ppm2 8.569
 
! ############### c13noe.3269 folded +
assi (attr store1 < 2.719 and attr store1 > 2.619 )
     ((attr store1 < 4.153 and attr store1 > 4.093 ) and 
      (bondedto (attr store1 < 111.807109131  and attr store1 > 111.007109131 ) or 
       bondedto (attr store1 < 64.083  and attr store1 > 63.283 ) or 
       bondedto (attr store1 < 16.3588908686  and attr store1 > 15.5588908686 ))) 
6 0.1 0.1 peak 3269 volume 7.79703 ppm1 4.123 ppm2 2.669
 
! ############### c13noe.3270 folded +
assi (attr store1 < 1.147 and attr store1 > 1.047 )
     ((attr store1 < 4.153 and attr store1 > 4.093 ) and 
      (bondedto (attr store1 < 111.801109131  and attr store1 > 111.001109131 ) or 
       bondedto (attr store1 < 64.077  and attr store1 > 63.277 ) or 
       bondedto (attr store1 < 16.3528908686  and attr store1 > 15.5528908686 ))) 
6 0.1 0.1 peak 3270 volume 15.92299 ppm1 4.123 ppm2 1.097
 
! ############### c13noe.3271 folded +
assi (attr store1 < 2.45 and attr store1 > 2.35 )
     ((attr store1 < 4.149 and attr store1 > 4.089 ) and 
      (bondedto (attr store1 < 111.772109131  and attr store1 > 110.972109131 ) or 
       bondedto (attr store1 < 64.048  and attr store1 > 63.248 ) or 
       bondedto (attr store1 < 16.3238908686  and attr store1 > 15.5238908686 ))) 
6 0.1 0.1 peak 3271 volume 22.32594 ppm1 4.119 ppm2 2.400
 
! ############### c13noe.3272 folded +
assi (attr store1 < 7.855 and attr store1 > 7.755 )
     ((attr store1 < 4.086 and attr store1 > 4.026 ) and 
      (bondedto (attr store1 < 111.785109131  and attr store1 > 110.985109131 ) or 
       bondedto (attr store1 < 64.061  and attr store1 > 63.261 ) or 
       bondedto (attr store1 < 16.3368908686  and attr store1 > 15.5368908686 ))) 
6 0.1 0.1 peak 3272 volume 10.88796 ppm1 4.056 ppm2 7.805
 
! ############### c13noe.3273 folded +
assi (attr store1 < 8.092 and attr store1 > 7.992 )
     ((attr store1 < 4.082 and attr store1 > 4.022 ) and 
      (bondedto (attr store1 < 111.797109131  and attr store1 > 110.997109131 ) or 
       bondedto (attr store1 < 64.073  and attr store1 > 63.273 ) or 
       bondedto (attr store1 < 16.3488908686  and attr store1 > 15.5488908686 ))) 
6 0.1 0.1 peak 3273 volume 23.28013 ppm1 4.052 ppm2 8.042
 
! ############### c13noe.3274 folded +
assi (attr store1 < 1.039 and attr store1 > 0.939 )
     ((attr store1 < 4.079 and attr store1 > 4.019 ) and 
      (bondedto (attr store1 < 111.793109131  and attr store1 > 110.993109131 ) or 
       bondedto (attr store1 < 64.069  and attr store1 > 63.269 ) or 
       bondedto (attr store1 < 16.3448908686  and attr store1 > 15.5448908686 ))) 
6 0.1 0.1 peak 3274 volume 9.85751 ppm1 4.049 ppm2 0.989
 
! ############### c13noe.3275 folded +
assi (attr store1 < 0.977 and attr store1 > 0.877 )
     ((attr store1 < 4.082 and attr store1 > 4.022 ) and 
      (bondedto (attr store1 < 111.796109131  and attr store1 > 110.996109131 ) or 
       bondedto (attr store1 < 64.072  and attr store1 > 63.272 ) or 
       bondedto (attr store1 < 16.3478908686  and attr store1 > 15.5478908686 ))) 
6 0.1 0.1 peak 3275 volume 17.87063 ppm1 4.052 ppm2 0.927
 
! ############### c13noe.3276 folded +
assi (attr store1 < 7.957 and attr store1 > 7.857 )
     ((attr store1 < 4.026 and attr store1 > 3.966 ) and 
      (bondedto (attr store1 < 111.818109131  and attr store1 > 111.018109131 ) or 
       bondedto (attr store1 < 64.094  and attr store1 > 63.294 ) or 
       bondedto (attr store1 < 16.3698908686  and attr store1 > 15.5698908686 ))) 
6 0.1 0.1 peak 3276 volume 7.54565 ppm1 3.996 ppm2 7.907
 
! ############### c13noe.3277 folded +
assi (attr store1 < 7.862 and attr store1 > 7.762 )
     ((attr store1 < 4.025 and attr store1 > 3.965 ) and 
      (bondedto (attr store1 < 111.789109131  and attr store1 > 110.989109131 ) or 
       bondedto (attr store1 < 64.065  and attr store1 > 63.265 ) or 
       bondedto (attr store1 < 16.3408908686  and attr store1 > 15.5408908686 ))) 
6 0.1 0.1 peak 3277 volume 13.61895 ppm1 3.995 ppm2 7.812
 
! ############### c13noe.3278 folded +
assi (attr store1 < 1.745 and attr store1 > 1.645 )
     ((attr store1 < 4.028 and attr store1 > 3.968 ) and 
      (bondedto (attr store1 < 111.809109131  and attr store1 > 111.009109131 ) or 
       bondedto (attr store1 < 64.085  and attr store1 > 63.285 ) or 
       bondedto (attr store1 < 16.3608908686  and attr store1 > 15.5608908686 ))) 
6 0.1 0.1 peak 3278 volume 9.57701 ppm1 3.998 ppm2 1.695
 
! ############### c13noe.3279 folded +
assi (attr store1 < 0.982 and attr store1 > 0.882 )
     ((attr store1 < 4.024 and attr store1 > 3.964 ) and 
      (bondedto (attr store1 < 111.782109131  and attr store1 > 110.982109131 ) or 
       bondedto (attr store1 < 64.058  and attr store1 > 63.258 ) or 
       bondedto (attr store1 < 16.3338908686  and attr store1 > 15.5338908686 ))) 
6 0.1 0.1 peak 3279 volume 25.14204 ppm1 3.994 ppm2 0.932
 
! ############### c13noe.3280 folded +
assi (attr store1 < 8.097 and attr store1 > 7.997 )
     ((attr store1 < 4.022 and attr store1 > 3.962 ) and 
      (bondedto (attr store1 < 111.784109131  and attr store1 > 110.984109131 ) or 
       bondedto (attr store1 < 64.06  and attr store1 > 63.26 ) or 
       bondedto (attr store1 < 16.3358908686  and attr store1 > 15.5358908686 ))) 
6 0.1 0.1 peak 3280 volume 28.28093 ppm1 3.992 ppm2 8.047
 
! ############### c13noe.3281 folded +
assi (attr store1 < 1.035 and attr store1 > 0.935 )
     ((attr store1 < 4.021 and attr store1 > 3.961 ) and 
      (bondedto (attr store1 < 111.789109131  and attr store1 > 110.989109131 ) or 
       bondedto (attr store1 < 64.065  and attr store1 > 63.265 ) or 
       bondedto (attr store1 < 16.3408908686  and attr store1 > 15.5408908686 ))) 
6 0.1 0.1 peak 3281 volume 15.08725 ppm1 3.991 ppm2 0.985
 
! ############### c13noe.3282 folded +
assi (attr store1 < 8.66 and attr store1 > 8.56 )
     ((attr store1 < 3.861 and attr store1 > 3.801 ) and 
      (bondedto (attr store1 < 111.790109131  and attr store1 > 110.990109131 ) or 
       bondedto (attr store1 < 64.066  and attr store1 > 63.266 ) or 
       bondedto (attr store1 < 16.3418908686  and attr store1 > 15.5418908686 ))) 
6 0.1 0.1 peak 3282 volume 12.58578 ppm1 3.831 ppm2 8.610
 
! ############### c13noe.3283 folded +
assi (attr store1 < 8.082 and attr store1 > 7.982 )
     ((attr store1 < 3.86 and attr store1 > 3.8 ) and 
      (bondedto (attr store1 < 111.791109131  and attr store1 > 110.991109131 ) or 
       bondedto (attr store1 < 64.067  and attr store1 > 63.267 ) or 
       bondedto (attr store1 < 16.3428908686  and attr store1 > 15.5428908686 ))) 
6 0.1 0.1 peak 3283 volume 35.42646 ppm1 3.830 ppm2 8.032
 
! ############### c13noe.3284 folded +
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 3.861 and attr store1 > 3.801 ) and 
      (bondedto (attr store1 < 111.779109131  and attr store1 > 110.979109131 ) or 
       bondedto (attr store1 < 64.055  and attr store1 > 63.255 ) or 
       bondedto (attr store1 < 16.3308908686  and attr store1 > 15.5308908686 ))) 
6 0.1 0.1 peak 3284 volume 58.64714 ppm1 3.831 ppm2 4.686
 
! ############### c13noe.3285 folded +
assi (attr store1 < 4.373 and attr store1 > 4.273 )
     ((attr store1 < 3.861 and attr store1 > 3.801 ) and 
      (bondedto (attr store1 < 111.786109131  and attr store1 > 110.986109131 ) or 
       bondedto (attr store1 < 64.062  and attr store1 > 63.262 ) or 
       bondedto (attr store1 < 16.3378908686  and attr store1 > 15.5378908686 ))) 
6 0.1 0.1 peak 3285 volume 117.66175 ppm1 3.831 ppm2 4.323
 
! ############### c13noe.3286 folded -
assi (attr store1 < 2.829 and attr store1 > 2.729 )
     ((attr store1 < 2.974 and attr store1 > 2.914 ) and 
      (bondedto (attr store1 < 87.9400545657  and attr store1 > 87.1400545657 ) or 
       bondedto (attr store1 < 135.664163697  and attr store1 > 134.864163697) or 
       bondedto (attr store1 < 40.2159454343  and attr store1 > 39.4159454343 ))) 
6 0.1 0.1 peak 3286 volume 8.89612 ppm1 2.944 ppm2 2.779
 
! ############### c13noe.3287 folded +
assi (attr store1 < 8.038 and attr store1 > 7.938 )
     ((attr store1 < 4.478 and attr store1 > 4.418 ) and 
      (bondedto (attr store1 < 111.736109131  and attr store1 > 110.936109131 ) or 
       bondedto (attr store1 < 64.012  and attr store1 > 63.212 ) or 
       bondedto (attr store1 < 16.2878908686  and attr store1 > 15.4878908686 ))) 
6 0.1 0.1 peak 3287 volume 89.28767 ppm1 4.448 ppm2 7.988
 
! ############### c13noe.3288 folded +
assi (attr store1 < 2.361 and attr store1 > 2.261 )
     ((attr store1 < 4.479 and attr store1 > 4.419 ) and 
      (bondedto (attr store1 < 111.732109131  and attr store1 > 110.932109131 ) or 
       bondedto (attr store1 < 64.008  and attr store1 > 63.208 ) or 
       bondedto (attr store1 < 16.2838908686  and attr store1 > 15.4838908686 ))) 
6 0.1 0.1 peak 3288 volume 67.91323 ppm1 4.449 ppm2 2.311
 
! ############### c13noe.3289 folded +
assi (attr store1 < 1.996 and attr store1 > 1.896 )
     ((attr store1 < 4.478 and attr store1 > 4.418 ) and 
      (bondedto (attr store1 < 111.729109131  and attr store1 > 110.929109131 ) or 
       bondedto (attr store1 < 64.005  and attr store1 > 63.205 ) or 
       bondedto (attr store1 < 16.2808908686  and attr store1 > 15.4808908686 ))) 
6 0.1 0.1 peak 3289 volume 40.66582 ppm1 4.448 ppm2 1.946
 
! ############### c13noe.3290 folded +
assi (attr store1 < 2.822 and attr store1 > 2.722 )
     ((attr store1 < 4.153 and attr store1 > 4.093 ) and 
      (bondedto (attr store1 < 111.744109131  and attr store1 > 110.944109131 ) or 
       bondedto (attr store1 < 64.02  and attr store1 > 63.22 ) or 
       bondedto (attr store1 < 16.2958908686  and attr store1 > 15.4958908686 ))) 
6 0.1 0.1 peak 3290 volume 9.11152 ppm1 4.123 ppm2 2.772
 
! ############### c13noe.3291 folded +
assi (attr store1 < 1.2 and attr store1 > 1.1 )
     ((attr store1 < 4.148 and attr store1 > 4.088 ) and 
      (bondedto (attr store1 < 111.739109131  and attr store1 > 110.939109131 ) or 
       bondedto (attr store1 < 64.015  and attr store1 > 63.215 ) or 
       bondedto (attr store1 < 16.2908908686  and attr store1 > 15.4908908686 ))) 
6 0.1 0.1 peak 3291 volume 22.93510 ppm1 4.118 ppm2 1.150
 
! ############### c13noe.3292 folded +
assi (attr store1 < 0.967 and attr store1 > 0.867 )
     ((attr store1 < 3.862 and attr store1 > 3.802 ) and 
      (bondedto (attr store1 < 111.752109131  and attr store1 > 110.952109131 ) or 
       bondedto (attr store1 < 64.028  and attr store1 > 63.228 ) or 
       bondedto (attr store1 < 16.3038908686  and attr store1 > 15.5038908686 ))) 
6 0.1 0.1 peak 3292 volume 11.85014 ppm1 3.832 ppm2 0.917
 
! ############### c13noe.3293 folded +
assi (attr store1 < 1.243 and attr store1 > 1.143 )
     ((attr store1 < 1.481 and attr store1 > 1.421 ) and 
      (bondedto (attr store1 < 111.679109131  and attr store1 > 110.879109131 ) or 
       bondedto (attr store1 < 63.955  and attr store1 > 63.155 ) or 
       bondedto (attr store1 < 16.2308908686  and attr store1 > 15.4308908686 ))) 
6 0.1 0.1 peak 3293 volume 12.62129 ppm1 1.451 ppm2 1.193
 
! ############### c13noe.3294 folded -
assi (attr store1 < 2.403 and attr store1 > 2.303 )
     ((attr store1 < 2.441 and attr store1 > 2.381 ) and 
      (bondedto (attr store1 < 87.8600545657  and attr store1 > 87.0600545657 ) or 
       bondedto (attr store1 < 135.584163697  and attr store1 > 134.784163697) or 
       bondedto (attr store1 < 40.1359454343  and attr store1 > 39.3359454343 ))) 
6 0.1 0.1 peak 3294 volume 14.2345 ppm1 2.411 ppm2 2.353
 
! ############### c13noe.3295 folded -
assi (attr store1 < 2.024 and attr store1 > 1.924 )
     ((attr store1 < 2.349 and attr store1 > 2.289 ) and 
      (bondedto (attr store1 < 87.8510545657  and attr store1 > 87.0510545657 ) or 
       bondedto (attr store1 < 135.575163697  and attr store1 > 134.775163697) or 
       bondedto (attr store1 < 40.1269454343  and attr store1 > 39.3269454343 ))) 
6 0.1 0.1 peak 3295 volume 11.83275 ppm1 2.319 ppm2 1.974
 
! ############### c13noe.3296 folded -
assi (attr store1 < 2.007 and attr store1 > 1.907 )
     ((attr store1 < 2.336 and attr store1 > 2.276 ) and 
      (bondedto (attr store1 < 87.8260545657  and attr store1 > 87.0260545657 ) or 
       bondedto (attr store1 < 135.550163697  and attr store1 > 134.750163697) or 
       bondedto (attr store1 < 40.1019454343  and attr store1 > 39.3019454343 ))) 
6 0.1 0.1 peak 3296 volume 10.68346 ppm1 2.306 ppm2 1.957
 
! ############### c13noe.3297 folded -
assi (attr store1 < 2.372 and attr store1 > 2.272 )
     ((attr store1 < 2.003 and attr store1 > 1.943 ) and 
      (bondedto (attr store1 < 87.8510545657  and attr store1 > 87.0510545657 ) or 
       bondedto (attr store1 < 135.575163697  and attr store1 > 134.775163697) or 
       bondedto (attr store1 < 40.1269454343  and attr store1 > 39.3269454343 ))) 
6 0.1 0.1 peak 3297 volume 10.6979 ppm1 1.973 ppm2 2.322
 
! ############### c13noe.3298 folded +
assi (attr store1 < 0.976 and attr store1 > 0.876 )
     ((attr store1 < 1.92 and attr store1 > 1.86 ) and 
      (bondedto (attr store1 < 111.589109131  and attr store1 > 110.789109131 ) or 
       bondedto (attr store1 < 63.865  and attr store1 > 63.065 ) or 
       bondedto (attr store1 < 16.1408908686  and attr store1 > 15.3408908686 ))) 
6 0.1 0.1 peak 3298 volume 7.38376 ppm1 1.890 ppm2 0.926
 
! ############### c13noe.3299 folded +
assi (attr store1 < 1.503 and attr store1 > 1.403 )
     ((attr store1 < 1.218 and attr store1 > 1.158 ) and 
      (bondedto (attr store1 < 111.655109131  and attr store1 > 110.855109131 ) or 
       bondedto (attr store1 < 63.931  and attr store1 > 63.131 ) or 
       bondedto (attr store1 < 16.2068908686  and attr store1 > 15.4068908686 ))) 
6 0.1 0.1 peak 3299 volume 10.66116 ppm1 1.188 ppm2 1.453
 
! ############### c13noe.3300 folded +
assi (attr store1 < 0.995 and attr store1 > 0.895 )
     ((attr store1 < 1.144 and attr store1 > 1.084 ) and 
      (bondedto (attr store1 < 111.605109131  and attr store1 > 110.805109131 ) or 
       bondedto (attr store1 < 63.881  and attr store1 > 63.081 ) or 
       bondedto (attr store1 < 16.1568908686  and attr store1 > 15.3568908686 ))) 
6 0.1 0.1 peak 3300 volume 14.74329 ppm1 1.114 ppm2 0.945
 
! ############### c13noe.3301 folded -
assi (attr store1 < 2.619 and attr store1 > 2.519 )
     ((attr store1 < 2.94 and attr store1 > 2.88 ) and 
      (bondedto (attr store1 < 87.7550545657  and attr store1 > 86.9550545657 ) or 
       bondedto (attr store1 < 135.479163697  and attr store1 > 134.679163697) or 
       bondedto (attr store1 < 40.0309454343  and attr store1 > 39.2309454343 ))) 
6 0.1 0.1 peak 3301 volume 10.71756 ppm1 2.910 ppm2 2.569
 
! ############### c13noe.3302 folded -
assi (attr store1 < 1.014 and attr store1 > 0.914 )
     ((attr store1 < 2.931 and attr store1 > 2.871 ) and 
      (bondedto (attr store1 < 87.7580545657  and attr store1 > 86.9580545657 ) or 
       bondedto (attr store1 < 135.482163697  and attr store1 > 134.682163697) or 
       bondedto (attr store1 < 40.0339454343  and attr store1 > 39.2339454343 ))) 
6 0.1 0.1 peak 3302 volume 7.54336 ppm1 2.901 ppm2 0.964
 
! ############### c13noe.3303 folded -
assi (attr store1 < 1.016 and attr store1 > 0.916 )
     ((attr store1 < 2.595 and attr store1 > 2.535 ) and 
      (bondedto (attr store1 < 87.7830545657  and attr store1 > 86.9830545657 ) or 
       bondedto (attr store1 < 135.507163697  and attr store1 > 134.707163697) or 
       bondedto (attr store1 < 40.0589454343  and attr store1 > 39.2589454343 ))) 
6 0.1 0.1 peak 3303 volume 8.00253 ppm1 2.565 ppm2 0.966
 
! ############### c13noe.3304 folded -
assi (attr store1 < 2.961 and attr store1 > 2.861 )
     ((attr store1 < 2.59 and attr store1 > 2.53 ) and 
      (bondedto (attr store1 < 87.7490545657  and attr store1 > 86.9490545657 ) or 
       bondedto (attr store1 < 135.473163697  and attr store1 > 134.673163697) or 
       bondedto (attr store1 < 40.0249454343  and attr store1 > 39.2249454343 ))) 
6 0.1 0.1 peak 3304 volume 9.52902 ppm1 2.560 ppm2 2.911
 
! ############### c13noe.3305 folded +
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 4.454 and attr store1 > 4.394 ) and 
      (bondedto (attr store1 < 111.481109131  and attr store1 > 110.681109131 ) or 
       bondedto (attr store1 < 63.757  and attr store1 > 62.957 ) or 
       bondedto (attr store1 < 16.0328908686  and attr store1 > 15.2328908686 ))) 
6 0.1 0.1 peak 3305 volume 30.79947 ppm1 4.424 ppm2 4.688
 
! ############### c13noe.3306 folded +
assi (attr store1 < 3.821 and attr store1 > 3.721 )
     ((attr store1 < 4.171 and attr store1 > 4.111 ) and 
      (bondedto (attr store1 < 111.496109131  and attr store1 > 110.696109131 ) or 
       bondedto (attr store1 < 63.772  and attr store1 > 62.972 ) or 
       bondedto (attr store1 < 16.0478908686  and attr store1 > 15.2478908686 ))) 
6 0.1 0.1 peak 3306 volume 13.72905 ppm1 4.141 ppm2 3.771
 
! ############### c13noe.3307 folded +
assi (attr store1 < 0.987 and attr store1 > 0.887 )
     ((attr store1 < 4.168 and attr store1 > 4.108 ) and 
      (bondedto (attr store1 < 111.489109131  and attr store1 > 110.689109131 ) or 
       bondedto (attr store1 < 63.765  and attr store1 > 62.965 ) or 
       bondedto (attr store1 < 16.0408908686  and attr store1 > 15.2408908686 ))) 
6 0.1 0.1 peak 3307 volume 13.50608 ppm1 4.138 ppm2 0.937
 
! ############### c13noe.3308 folded +
assi (attr store1 < 4.741 and attr store1 > 4.641 )
     ((attr store1 < 4.164 and attr store1 > 4.104 ) and 
      (bondedto (attr store1 < 111.560109131  and attr store1 > 110.760109131 ) or 
       bondedto (attr store1 < 63.836  and attr store1 > 63.036 ) or 
       bondedto (attr store1 < 16.1118908686  and attr store1 > 15.3118908686 ))) 
6 0.1 0.1 peak 3308 volume 11.80116 ppm1 4.134 ppm2 4.691
 
! ############### c13noe.3309 folded +
assi (attr store1 < 0.988 and attr store1 > 0.888 )
     ((attr store1 < 3.805 and attr store1 > 3.745 ) and 
      (bondedto (attr store1 < 111.526109131  and attr store1 > 110.726109131 ) or 
       bondedto (attr store1 < 63.802  and attr store1 > 63.002 ) or 
       bondedto (attr store1 < 16.0778908686  and attr store1 > 15.2778908686 ))) 
6 0.1 0.1 peak 3309 volume 14.43346 ppm1 3.775 ppm2 0.938
 
! ############### c13noe.3310 folded +
assi (attr store1 < 4.739 and attr store1 > 4.639 )
     ((attr store1 < 3.8 and attr store1 > 3.74 ) and 
      (bondedto (attr store1 < 111.533109131  and attr store1 > 110.733109131 ) or 
       bondedto (attr store1 < 63.809  and attr store1 > 63.009 ) or 
       bondedto (attr store1 < 16.0848908686  and attr store1 > 15.2848908686 ))) 
6 0.1 0.1 peak 3310 volume 9.54466 ppm1 3.770 ppm2 4.689
 
! ############### c13noe.3311 folded +
assi (attr store1 < 1.77 and attr store1 > 1.67 )
     ((attr store1 < 3.05 and attr store1 > 2.99 ) and 
      (bondedto (attr store1 < 111.506109131  and attr store1 > 110.706109131 ) or 
       bondedto (attr store1 < 63.782  and attr store1 > 62.982 ) or 
       bondedto (attr store1 < 16.0578908686  and attr store1 > 15.2578908686 ))) 
6 0.1 0.1 peak 3311 volume 7.16175 ppm1 3.020 ppm2 1.720
 
! ############### c13noe.3312 folded -
assi (attr store1 < 3.303 and attr store1 > 3.203 )
     ((attr store1 < 3.346 and attr store1 > 3.286 ) and 
      (bondedto (attr store1 < 87.6620545657  and attr store1 > 86.8620545657 ) or 
       bondedto (attr store1 < 135.386163697  and attr store1 > 134.586163697) or 
       bondedto (attr store1 < 39.9379454343  and attr store1 > 39.1379454343 ))) 
6 0.1 0.1 peak 3312 volume 13.90951 ppm1 3.316 ppm2 3.253
 
! ############### c13noe.3313 folded -
assi (attr store1 < 3.373 and attr store1 > 3.273 )
     ((attr store1 < 3.285 and attr store1 > 3.225 ) and 
      (bondedto (attr store1 < 87.6400545657  and attr store1 > 86.8400545657 ) or 
       bondedto (attr store1 < 135.364163697  and attr store1 > 134.564163697) or 
       bondedto (attr store1 < 39.9159454343  and attr store1 > 39.1159454343 ))) 
6 0.1 0.1 peak 3313 volume 16.68913 ppm1 3.255 ppm2 3.323
 
! ############### c13noe.3314 folded -
assi (attr store1 < 1.766 and attr store1 > 1.666 )
     ((attr store1 < 3.284 and attr store1 > 3.224 ) and 
      (bondedto (attr store1 < 87.6500545657  and attr store1 > 86.8500545657 ) or 
       bondedto (attr store1 < 135.374163697  and attr store1 > 134.574163697) or 
       bondedto (attr store1 < 39.9259454343  and attr store1 > 39.1259454343 ))) 
6 0.1 0.1 peak 3314 volume 7.25885 ppm1 3.254 ppm2 1.716
 
! ############### c13noe.3315 folded +
assi (attr store1 < 2.583 and attr store1 > 2.483 )
     ((attr store1 < 4.453 and attr store1 > 4.393 ) and 
      (bondedto (attr store1 < 111.460109131  and attr store1 > 110.660109131 ) or 
       bondedto (attr store1 < 63.736  and attr store1 > 62.936 ) or 
       bondedto (attr store1 < 16.0118908686  and attr store1 > 15.2118908686 ))) 
6 0.1 0.1 peak 3315 volume 18.83129 ppm1 4.423 ppm2 2.533
 
! ############### c13noe.3316 folded +
assi (attr store1 < 2.159 and attr store1 > 2.059 )
     ((attr store1 < 4.447 and attr store1 > 4.387 ) and 
      (bondedto (attr store1 < 111.452109131  and attr store1 > 110.652109131 ) or 
       bondedto (attr store1 < 63.728  and attr store1 > 62.928 ) or 
       bondedto (attr store1 < 16.0038908686  and attr store1 > 15.2038908686 ))) 
6 0.1 0.1 peak 3316 volume 12.59274 ppm1 4.417 ppm2 2.109
 
! ############### c13noe.3317 folded +
assi (attr store1 < 1.984 and attr store1 > 1.884 )
     ((attr store1 < 4.449 and attr store1 > 4.389 ) and 
      (bondedto (attr store1 < 111.415109131  and attr store1 > 110.615109131 ) or 
       bondedto (attr store1 < 63.691  and attr store1 > 62.891 ) or 
       bondedto (attr store1 < 15.9668908686  and attr store1 > 15.1668908686 ))) 
6 0.1 0.1 peak 3317 volume 10.38308 ppm1 4.419 ppm2 1.934
 
! ############### c13noe.3318 folded +
assi (attr store1 < 4.182 and attr store1 > 4.082 )
     ((attr store1 < 3.797 and attr store1 > 3.737 ) and 
      (bondedto (attr store1 < 111.462109131  and attr store1 > 110.662109131 ) or 
       bondedto (attr store1 < 63.738  and attr store1 > 62.938 ) or 
       bondedto (attr store1 < 16.0138908686  and attr store1 > 15.2138908686 ))) 
6 0.1 0.1 peak 3318 volume 12.29326 ppm1 3.767 ppm2 4.132
 
! ############### c13noe.3319 folded -
assi (attr store1 < 2.835 and attr store1 > 2.735 )
     ((attr store1 < 2.976 and attr store1 > 2.916 ) and 
      (bondedto (attr store1 < 87.4800545657  and attr store1 > 86.6800545657 ) or 
       bondedto (attr store1 < 135.204163697  and attr store1 > 134.404163697) or 
       bondedto (attr store1 < 39.7559454343  and attr store1 > 38.9559454343 ))) 
6 0.1 0.1 peak 3319 volume 9.96742 ppm1 2.946 ppm2 2.785
 
! ############### c13noe.3320 folded -
assi (attr store1 < 2.448 and attr store1 > 2.348 )
     ((attr store1 < 2.511 and attr store1 > 2.451 ) and 
      (bondedto (attr store1 < 87.4740545657  and attr store1 > 86.6740545657 ) or 
       bondedto (attr store1 < 135.198163697  and attr store1 > 134.398163697) or 
       bondedto (attr store1 < 39.7499454343  and attr store1 > 38.9499454343 ))) 
6 0.1 0.1 peak 3320 volume 12.72106 ppm1 2.481 ppm2 2.398
 
! ############### c13noe.3321 folded -
assi (attr store1 < 2.527 and attr store1 > 2.427 )
     ((attr store1 < 2.427 and attr store1 > 2.367 ) and 
      (bondedto (attr store1 < 87.4780545657  and attr store1 > 86.6780545657 ) or 
       bondedto (attr store1 < 135.202163697  and attr store1 > 134.402163697) or 
       bondedto (attr store1 < 39.7539454343  and attr store1 > 38.9539454343 ))) 
6 0.1 0.1 peak 3321 volume 13.28101 ppm1 2.397 ppm2 2.477
 
! ############### c13noe.3322 folded -
assi (attr store1 < 1.955 and attr store1 > 1.855 )
     ((attr store1 < 1.754 and attr store1 > 1.694 ) and 
      (bondedto (attr store1 < 87.4520545657  and attr store1 > 86.6520545657 ) or 
       bondedto (attr store1 < 135.176163697  and attr store1 > 134.376163697) or 
       bondedto (attr store1 < 39.7279454343  and attr store1 > 38.9279454343 ))) 
6 0.1 0.1 peak 3322 volume 11.59299 ppm1 1.724 ppm2 1.905
 
! ############### c13noe.3323 folded -
assi (attr store1 < 1.476 and attr store1 > 1.376 )
     ((attr store1 < 1.681 and attr store1 > 1.621 ) and 
      (bondedto (attr store1 < 87.4830545657  and attr store1 > 86.6830545657 ) or 
       bondedto (attr store1 < 135.207163697  and attr store1 > 134.407163697) or 
       bondedto (attr store1 < 39.7589454343  and attr store1 > 38.9589454343 ))) 
6 0.1 0.1 peak 3323 volume 9.00813 ppm1 1.651 ppm2 1.426
 
! ############### c13noe.3324 folded -
assi (attr store1 < 1.701 and attr store1 > 1.601 )
     ((attr store1 < 1.455 and attr store1 > 1.395 ) and 
      (bondedto (attr store1 < 87.4620545657  and attr store1 > 86.6620545657 ) or 
       bondedto (attr store1 < 135.186163697  and attr store1 > 134.386163697) or 
       bondedto (attr store1 < 39.7379454343  and attr store1 > 38.9379454343 ))) 
6 0.1 0.1 peak 3324 volume 10.07302 ppm1 1.425 ppm2 1.651
 
! ############### c13noe.3325 folded -
assi (attr store1 < 4.513 and attr store1 > 4.413 )
     ((attr store1 < 2.34 and attr store1 > 2.28 ) and 
      (bondedto (attr store1 < 87.3800545657  and attr store1 > 86.5800545657 ) or 
       bondedto (attr store1 < 135.104163697  and attr store1 > 134.304163697) or 
       bondedto (attr store1 < 39.6559454343  and attr store1 > 38.8559454343 ))) 
6 0.1 0.1 peak 3325 volume 8.7537 ppm1 2.310 ppm2 4.463
 
! ############### c13noe.3326 folded -
assi (attr store1 < 0.946 and attr store1 > 0.846 )
     ((attr store1 < 1.696 and attr store1 > 1.636 ) and 
      (bondedto (attr store1 < 87.3860545657  and attr store1 > 86.5860545657 ) or 
       bondedto (attr store1 < 135.110163697  and attr store1 > 134.310163697) or 
       bondedto (attr store1 < 39.6619454343  and attr store1 > 38.8619454343 ))) 
6 0.1 0.1 peak 3326 volume 7.08153 ppm1 1.666 ppm2 0.896
 
! ############### c13noe.3327 folded -
assi (attr store1 < 0.991 and attr store1 > 0.891 )
     ((attr store1 < 1.587 and attr store1 > 1.527 ) and 
      (bondedto (attr store1 < 87.3850545657  and attr store1 > 86.5850545657 ) or 
       bondedto (attr store1 < 135.109163697  and attr store1 > 134.309163697) or 
       bondedto (attr store1 < 39.6609454343  and attr store1 > 38.8609454343 ))) 
6 0.1 0.1 peak 3327 volume 10.02363 ppm1 1.557 ppm2 0.941
 
! ############### c13noe.3328 folded -
assi (attr store1 < 1.246 and attr store1 > 1.146 )
     ((attr store1 < 1.486 and attr store1 > 1.426 ) and 
      (bondedto (attr store1 < 87.3970545657  and attr store1 > 86.5970545657 ) or 
       bondedto (attr store1 < 135.121163697  and attr store1 > 134.321163697) or 
       bondedto (attr store1 < 39.6729454343  and attr store1 > 38.8729454343 ))) 
6 0.1 0.1 peak 3328 volume 21.24206 ppm1 1.456 ppm2 1.196
 
! ############### c13noe.3329 folded -
assi (attr store1 < 1.505 and attr store1 > 1.405 )
     ((attr store1 < 1.228 and attr store1 > 1.168 ) and 
      (bondedto (attr store1 < 87.4100545657  and attr store1 > 86.6100545657 ) or 
       bondedto (attr store1 < 135.134163697  and attr store1 > 134.334163697) or 
       bondedto (attr store1 < 39.6859454343  and attr store1 > 38.8859454343 ))) 
6 0.1 0.1 peak 3329 volume 19.57201 ppm1 1.198 ppm2 1.455
 
! ############### c13noe.3330 folded +
assi (attr store1 < 8.881 and attr store1 > 8.781 )
     ((attr store1 < 1.004 and attr store1 > 0.944 ) and 
      (bondedto (attr store1 < 111.117109131  and attr store1 > 110.317109131 ) or 
       bondedto (attr store1 < 63.393  and attr store1 > 62.593 ) or 
       bondedto (attr store1 < 15.6688908686  and attr store1 > 14.8688908686 ))) 
6 0.1 0.1 peak 3330 volume 6.38663 ppm1 0.974 ppm2 8.831
 
! ############### c13noe.3331 folded +
assi (attr store1 < 3.591 and attr store1 > 3.491 )
     ((attr store1 < 1.003 and attr store1 > 0.943 ) and 
      (bondedto (attr store1 < 111.147109131  and attr store1 > 110.347109131 ) or 
       bondedto (attr store1 < 63.423  and attr store1 > 62.623 ) or 
       bondedto (attr store1 < 15.6988908686  and attr store1 > 14.8988908686 ))) 
6 0.1 0.1 peak 3331 volume 7.44559 ppm1 0.973 ppm2 3.541
 
! ############### c13noe.3332 folded +
assi (attr store1 < 2.101 and attr store1 > 2.001 )
     ((attr store1 < 1.002 and attr store1 > 0.942 ) and 
      (bondedto (attr store1 < 111.121109131  and attr store1 > 110.321109131 ) or 
       bondedto (attr store1 < 63.397  and attr store1 > 62.597 ) or 
       bondedto (attr store1 < 15.6728908686  and attr store1 > 14.8728908686 ))) 
6 0.1 0.1 peak 3332 volume 21.13866 ppm1 0.972 ppm2 2.051
 
! ############### c13noe.3333 folded +
assi (attr store1 < 3.981 and attr store1 > 3.881 )
     ((attr store1 < 0.998 and attr store1 > 0.938 ) and 
      (bondedto (attr store1 < 111.113109131  and attr store1 > 110.313109131 ) or 
       bondedto (attr store1 < 63.389  and attr store1 > 62.589 ) or 
       bondedto (attr store1 < 15.6648908686  and attr store1 > 14.8648908686 ))) 
6 0.1 0.1 peak 3333 volume 14.84201 ppm1 0.968 ppm2 3.931
 
! ############### c13noe.3334 folded +
assi (attr store1 < 2.195 and attr store1 > 2.095 )
     ((attr store1 < 0.997 and attr store1 > 0.937 ) and 
      (bondedto (attr store1 < 111.122109131  and attr store1 > 110.322109131 ) or 
       bondedto (attr store1 < 63.398  and attr store1 > 62.598 ) or 
       bondedto (attr store1 < 15.6738908686  and attr store1 > 14.8738908686 ))) 
6 0.1 0.1 peak 3334 volume 22.35572 ppm1 0.967 ppm2 2.145
 
! ############### c13noe.3335 folded +
assi (attr store1 < 4.209 and attr store1 > 4.109 )
     ((attr store1 < 0.995 and attr store1 > 0.935 ) and 
      (bondedto (attr store1 < 111.115109131  and attr store1 > 110.315109131 ) or 
       bondedto (attr store1 < 63.391  and attr store1 > 62.591 ) or 
       bondedto (attr store1 < 15.6668908686  and attr store1 > 14.8668908686 ))) 
6 0.1 0.1 peak 3335 volume 16.00106 ppm1 0.965 ppm2 4.159
 
! ############### c13noe.3336 folded +
assi (attr store1 < 8.887 and attr store1 > 8.787 )
     ((attr store1 < 0.963 and attr store1 > 0.903 ) and 
      (bondedto (attr store1 < 111.127109131  and attr store1 > 110.327109131 ) or 
       bondedto (attr store1 < 63.403  and attr store1 > 62.603 ) or 
       bondedto (attr store1 < 15.6788908686  and attr store1 > 14.8788908686 ))) 
6 0.1 0.1 peak 3336 volume 8.06550 ppm1 0.933 ppm2 8.837
 
! ############### c13noe.3337 folded +
assi (attr store1 < 3.592 and attr store1 > 3.492 )
     ((attr store1 < 0.966 and attr store1 > 0.906 ) and 
      (bondedto (attr store1 < 111.166109131  and attr store1 > 110.366109131 ) or 
       bondedto (attr store1 < 63.442  and attr store1 > 62.642 ) or 
       bondedto (attr store1 < 15.7178908686  and attr store1 > 14.9178908686 ))) 
6 0.1 0.1 peak 3337 volume 7.93021 ppm1 0.936 ppm2 3.542
 
! ############### c13noe.3338 folded +
assi (attr store1 < 2.199 and attr store1 > 2.099 )
     ((attr store1 < 0.967 and attr store1 > 0.907 ) and 
      (bondedto (attr store1 < 111.121109131  and attr store1 > 110.321109131 ) or 
       bondedto (attr store1 < 63.397  and attr store1 > 62.597 ) or 
       bondedto (attr store1 < 15.6728908686  and attr store1 > 14.8728908686 ))) 
6 0.1 0.1 peak 3338 volume 23.71988 ppm1 0.937 ppm2 2.149
 
! ############### c13noe.3339 folded +
assi (attr store1 < 2.103 and attr store1 > 2.003 )
     ((attr store1 < 0.966 and attr store1 > 0.906 ) and 
      (bondedto (attr store1 < 111.139109131  and attr store1 > 110.339109131 ) or 
       bondedto (attr store1 < 63.415  and attr store1 > 62.615 ) or 
       bondedto (attr store1 < 15.6908908686  and attr store1 > 14.8908908686 ))) 
6 0.1 0.1 peak 3339 volume 24.03982 ppm1 0.936 ppm2 2.053
 
! ############### c13noe.3340 folded -
assi (attr store1 < 3.208 and attr store1 > 3.108 )
     ((attr store1 < 3.283 and attr store1 > 3.223 ) and 
      (bondedto (attr store1 < 87.2900545657  and attr store1 > 86.4900545657 ) or 
       bondedto (attr store1 < 135.014163697  and attr store1 > 134.214163697) or 
       bondedto (attr store1 < 39.5659454343  and attr store1 > 38.7659454343 ))) 
6 0.1 0.1 peak 3340 volume 31.63311 ppm1 3.253 ppm2 3.158
 
! ############### c13noe.3341 folded -
assi (attr store1 < 4.318 and attr store1 > 4.218 )
     ((attr store1 < 1.933 and attr store1 > 1.873 ) and 
      (bondedto (attr store1 < 87.2700545657  and attr store1 > 86.4700545657 ) or 
       bondedto (attr store1 < 134.994163697  and attr store1 > 134.194163697) or 
       bondedto (attr store1 < 39.5459454343  and attr store1 > 38.7459454343 ))) 
6 0.1 0.1 peak 3341 volume 23.99746 ppm1 1.903 ppm2 4.268
 
! ############### c13noe.3342 folded -
assi (attr store1 < 7.997 and attr store1 > 7.897 )
     ((attr store1 < 1.928 and attr store1 > 1.868 ) and 
      (bondedto (attr store1 < 87.2420545657  and attr store1 > 86.4420545657 ) or 
       bondedto (attr store1 < 134.966163697  and attr store1 > 134.166163697) or 
       bondedto (attr store1 < 39.5179454343  and attr store1 > 38.7179454343 ))) 
6 0.1 0.1 peak 3342 volume 7.57257 ppm1 1.898 ppm2 7.947
 
! ############### c13noe.3343 folded +
assi (attr store1 < 4.205 and attr store1 > 4.105 )
     ((attr store1 < 0.964 and attr store1 > 0.904 ) and 
      (bondedto (attr store1 < 111.094109131  and attr store1 > 110.294109131 ) or 
       bondedto (attr store1 < 63.37  and attr store1 > 62.57 ) or 
       bondedto (attr store1 < 15.6458908686  and attr store1 > 14.8458908686 ))) 
6 0.1 0.1 peak 3343 volume 16.19887 ppm1 0.934 ppm2 4.155
 
! ############### c13noe.3344 folded +
assi (attr store1 < 3.988 and attr store1 > 3.888 )
     ((attr store1 < 0.965 and attr store1 > 0.905 ) and 
      (bondedto (attr store1 < 111.076109131  and attr store1 > 110.276109131 ) or 
       bondedto (attr store1 < 63.352  and attr store1 > 62.552 ) or 
       bondedto (attr store1 < 15.6278908686  and attr store1 > 14.8278908686 ))) 
6 0.1 0.1 peak 3344 volume 15.03739 ppm1 0.935 ppm2 3.938
 
! ############### c13noe.3345 folded +
assi (attr store1 < 1.692 and attr store1 > 1.592 )
     ((attr store1 < 4.163 and attr store1 > 4.103 ) and 
      (bondedto (attr store1 < 110.919109131  and attr store1 > 110.119109131 ) or 
       bondedto (attr store1 < 63.195  and attr store1 > 62.395 ) or 
       bondedto (attr store1 < 15.4708908686  and attr store1 > 14.6708908686 ))) 
6 0.1 0.1 peak 3345 volume 25.93471 ppm1 4.133 ppm2 1.642
 
! ############### c13noe.3346 folded +
assi (attr store1 < 2.079 and attr store1 > 1.979 )
     ((attr store1 < 4.16 and attr store1 > 4.1 ) and 
      (bondedto (attr store1 < 110.919109131  and attr store1 > 110.119109131 ) or 
       bondedto (attr store1 < 63.195  and attr store1 > 62.395 ) or 
       bondedto (attr store1 < 15.4708908686  and attr store1 > 14.6708908686 ))) 
6 0.1 0.1 peak 3346 volume 35.91323 ppm1 4.130 ppm2 2.029
 
! ############### c13noe.3347 folded +
assi (attr store1 < 1.375 and attr store1 > 1.275 )
     ((attr store1 < 4.16 and attr store1 > 4.1 ) and 
      (bondedto (attr store1 < 110.922109131  and attr store1 > 110.122109131 ) or 
       bondedto (attr store1 < 63.198  and attr store1 > 62.398 ) or 
       bondedto (attr store1 < 15.4738908686  and attr store1 > 14.6738908686 ))) 
6 0.1 0.1 peak 3347 volume 28.80803 ppm1 4.130 ppm2 1.325
 
! ############### c13noe.3348 folded +
assi (attr store1 < 4.033 and attr store1 > 3.933 )
     ((attr store1 < 0.828 and attr store1 > 0.768 ) and 
      (bondedto (attr store1 < 110.933109131  and attr store1 > 110.133109131 ) or 
       bondedto (attr store1 < 63.209  and attr store1 > 62.409 ) or 
       bondedto (attr store1 < 15.4848908686  and attr store1 > 14.6848908686 ))) 
6 0.1 0.1 peak 3348 volume 14.86707 ppm1 0.798 ppm2 3.983
 
! ############### c13noe.3349 folded +
assi (attr store1 < 3.803 and attr store1 > 3.703 )
     ((attr store1 < 0.827 and attr store1 > 0.767 ) and 
      (bondedto (attr store1 < 110.932109131  and attr store1 > 110.132109131 ) or 
       bondedto (attr store1 < 63.208  and attr store1 > 62.408 ) or 
       bondedto (attr store1 < 15.4838908686  and attr store1 > 14.6838908686 ))) 
6 0.1 0.1 peak 3349 volume 9.52317 ppm1 0.797 ppm2 3.753
 
! ############### c13noe.3350 folded +
assi (attr store1 < 8.704 and attr store1 > 8.604 )
     ((attr store1 < 0.822 and attr store1 > 0.762 ) and 
      (bondedto (attr store1 < 110.927109131  and attr store1 > 110.127109131 ) or 
       bondedto (attr store1 < 63.203  and attr store1 > 62.403 ) or 
       bondedto (attr store1 < 15.4788908686  and attr store1 > 14.6788908686 ))) 
6 0.1 0.1 peak 3350 volume 14.42746 ppm1 0.792 ppm2 8.654
 
! ############### c13noe.3351 folded +
assi (attr store1 < 4.736 and attr store1 > 4.636 )
     ((attr store1 < 0.821 and attr store1 > 0.761 ) and 
      (bondedto (attr store1 < 110.938109131  and attr store1 > 110.138109131 ) or 
       bondedto (attr store1 < 63.214  and attr store1 > 62.414 ) or 
       bondedto (attr store1 < 15.4898908686  and attr store1 > 14.6898908686 ))) 
6 0.1 0.1 peak 3351 volume 8.96558 ppm1 0.791 ppm2 4.686
 
! ############### c13noe.3352 folded +
assi (attr store1 < 4.281 and attr store1 > 4.181 )
     ((attr store1 < 0.821 and attr store1 > 0.761 ) and 
      (bondedto (attr store1 < 110.924109131  and attr store1 > 110.124109131 ) or 
       bondedto (attr store1 < 63.2  and attr store1 > 62.4 ) or 
       bondedto (attr store1 < 15.4758908686  and attr store1 > 14.6758908686 ))) 
6 0.1 0.1 peak 3352 volume 14.45204 ppm1 0.791 ppm2 4.231
 
! ############### c13noe.3353 folded +
assi (attr store1 < 3.63 and attr store1 > 3.53 )
     ((attr store1 < 0.82 and attr store1 > 0.76 ) and 
      (bondedto (attr store1 < 110.948109131  and attr store1 > 110.148109131 ) or 
       bondedto (attr store1 < 63.224  and attr store1 > 62.424 ) or 
       bondedto (attr store1 < 15.4998908686  and attr store1 > 14.6998908686 ))) 
6 0.1 0.1 peak 3353 volume 19.56822 ppm1 0.790 ppm2 3.580
 
! ############### c13noe.3354 folded +
assi (attr store1 < 4.207 and attr store1 > 4.107 )
     ((attr store1 < 0.818 and attr store1 > 0.758 ) and 
      (bondedto (attr store1 < 110.937109131  and attr store1 > 110.137109131 ) or 
       bondedto (attr store1 < 63.213  and attr store1 > 62.413 ) or 
       bondedto (attr store1 < 15.4888908686  and attr store1 > 14.6888908686 ))) 
6 0.1 0.1 peak 3354 volume 13.83000 ppm1 0.788 ppm2 4.157
 
! ############### c13noe.3355 folded +
assi (attr store1 < 4.033 and attr store1 > 3.933 )
     ((attr store1 < 0.815 and attr store1 > 0.755 ) and 
      (bondedto (attr store1 < 110.943109131  and attr store1 > 110.143109131 ) or 
       bondedto (attr store1 < 63.219  and attr store1 > 62.419 ) or 
       bondedto (attr store1 < 15.4948908686  and attr store1 > 14.6948908686 ))) 
6 0.1 0.1 peak 3355 volume 15.71935 ppm1 0.785 ppm2 3.983
 
! ############### c13noe.3356 folded +
assi (attr store1 < 4.282 and attr store1 > 4.182 )
     ((attr store1 < 0.807 and attr store1 > 0.747 ) and 
      (bondedto (attr store1 < 110.927109131  and attr store1 > 110.127109131 ) or 
       bondedto (attr store1 < 63.203  and attr store1 > 62.403 ) or 
       bondedto (attr store1 < 15.4788908686  and attr store1 > 14.6788908686 ))) 
6 0.1 0.1 peak 3356 volume 14.14919 ppm1 0.777 ppm2 4.232
 
! ############### c13noe.3357 folded +
assi (attr store1 < 7.812 and attr store1 > 7.712 )
     ((attr store1 < 0.8 and attr store1 > 0.74 ) and 
      (bondedto (attr store1 < 110.973109131  and attr store1 > 110.173109131 ) or 
       bondedto (attr store1 < 63.249  and attr store1 > 62.449 ) or 
       bondedto (attr store1 < 15.5248908686  and attr store1 > 14.7248908686 ))) 
6 0.1 0.1 peak 3357 volume 13.50141 ppm1 0.770 ppm2 7.762
 
! ############### c13noe.3358 folded +
assi (attr store1 < 3.809 and attr store1 > 3.709 )
     ((attr store1 < 0.798 and attr store1 > 0.738 ) and 
      (bondedto (attr store1 < 110.937109131  and attr store1 > 110.137109131 ) or 
       bondedto (attr store1 < 63.213  and attr store1 > 62.413 ) or 
       bondedto (attr store1 < 15.4888908686  and attr store1 > 14.6888908686 ))) 
6 0.1 0.1 peak 3358 volume 9.74415 ppm1 0.768 ppm2 3.759
 
! ############### c13noe.3359 folded +
assi (attr store1 < 4.456 and attr store1 > 4.356 )
     ((attr store1 < 0.796 and attr store1 > 0.736 ) and 
      (bondedto (attr store1 < 110.953109131  and attr store1 > 110.153109131 ) or 
       bondedto (attr store1 < 63.229  and attr store1 > 62.429 ) or 
       bondedto (attr store1 < 15.5048908686  and attr store1 > 14.7048908686 ))) 
6 0.1 0.1 peak 3359 volume 8.53156 ppm1 0.766 ppm2 4.406
 
! ############### c13noe.3360 folded +
assi (attr store1 < 3.624 and attr store1 > 3.524 )
     ((attr store1 < 0.797 and attr store1 > 0.737 ) and 
      (bondedto (attr store1 < 110.943109131  and attr store1 > 110.143109131 ) or 
       bondedto (attr store1 < 63.219  and attr store1 > 62.419 ) or 
       bondedto (attr store1 < 15.4948908686  and attr store1 > 14.6948908686 ))) 
6 0.1 0.1 peak 3360 volume 16.45657 ppm1 0.767 ppm2 3.574
 
! ############### c13noe.3361 folded +
assi (attr store1 < 4.47 and attr store1 > 4.37 )
     ((attr store1 < 0.791 and attr store1 > 0.731 ) and 
      (bondedto (attr store1 < 110.936109131  and attr store1 > 110.136109131 ) or 
       bondedto (attr store1 < 63.212  and attr store1 > 62.412 ) or 
       bondedto (attr store1 < 15.4878908686  and attr store1 > 14.6878908686 ))) 
6 0.1 0.1 peak 3361 volume 8.55715 ppm1 0.761 ppm2 4.420
 
! ############### c13noe.3362 folded -
assi (attr store1 < 3.371 and attr store1 > 3.271 )
     ((attr store1 < 3.191 and attr store1 > 3.131 ) and 
      (bondedto (attr store1 < 87.0780545657  and attr store1 > 86.2780545657 ) or 
       bondedto (attr store1 < 134.802163697  and attr store1 > 134.002163697) or 
       bondedto (attr store1 < 39.3539454343  and attr store1 > 38.5539454343 ))) 
6 0.1 0.1 peak 3362 volume 6.01838 ppm1 3.161 ppm2 3.321
 
! ############### c13noe.3363 folded -
assi (attr store1 < 3.304 and attr store1 > 3.204 )
     ((attr store1 < 3.191 and attr store1 > 3.131 ) and 
      (bondedto (attr store1 < 87.1140545657  and attr store1 > 86.3140545657 ) or 
       bondedto (attr store1 < 134.838163697  and attr store1 > 134.038163697) or 
       bondedto (attr store1 < 39.3899454343  and attr store1 > 38.5899454343 ))) 
6 0.1 0.1 peak 3363 volume 39.45692 ppm1 3.161 ppm2 3.254
 
! ############### c13noe.3364 folded -
assi (attr store1 < 2.704 and attr store1 > 2.604 )
     ((attr store1 < 2.867 and attr store1 > 2.807 ) and 
      (bondedto (attr store1 < 87.0770545657  and attr store1 > 86.2770545657 ) or 
       bondedto (attr store1 < 134.801163697  and attr store1 > 134.001163697) or 
       bondedto (attr store1 < 39.3529454343  and attr store1 > 38.5529454343 ))) 
6 0.1 0.1 peak 3364 volume 63.63 ppm1 2.837 ppm2 2.654
 
! ############### c13noe.3365 folded -
assi (attr store1 < 2.959 and attr store1 > 2.859 )
     ((attr store1 < 2.848 and attr store1 > 2.788 ) and 
      (bondedto (attr store1 < 87.0790545657  and attr store1 > 86.2790545657 ) or 
       bondedto (attr store1 < 134.803163697  and attr store1 > 134.003163697) or 
       bondedto (attr store1 < 39.3549454343  and attr store1 > 38.5549454343 ))) 
6 0.1 0.1 peak 3365 volume 23.54495 ppm1 2.818 ppm2 2.909
 
! ############### c13noe.3366 folded -
assi (attr store1 < 2.889 and attr store1 > 2.789 )
     ((attr store1 < 2.685 and attr store1 > 2.625 ) and 
      (bondedto (attr store1 < 87.0810545657  and attr store1 > 86.2810545657 ) or 
       bondedto (attr store1 < 134.805163697  and attr store1 > 134.005163697) or 
       bondedto (attr store1 < 39.3569454343  and attr store1 > 38.5569454343 ))) 
6 0.1 0.1 peak 3366 volume 64.38163 ppm1 2.655 ppm2 2.839
 
! ############### c13noe.3367 folded +
assi (attr store1 < 7.946 and attr store1 > 7.846 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 110.901109131  and attr store1 > 110.101109131 ) or 
       bondedto (attr store1 < 63.177  and attr store1 > 62.377 ) or 
       bondedto (attr store1 < 15.4528908686  and attr store1 > 14.6528908686 ))) 
6 0.1 0.1 peak 3367 volume 39.47410 ppm1 4.132 ppm2 7.896
 
! ############### c13noe.3368 folded +
assi (attr store1 < 1.041 and attr store1 > 0.941 )
     ((attr store1 < 4.161 and attr store1 > 4.101 ) and 
      (bondedto (attr store1 < 110.901109131  and attr store1 > 110.101109131 ) or 
       bondedto (attr store1 < 63.177  and attr store1 > 62.377 ) or 
       bondedto (attr store1 < 15.4528908686  and attr store1 > 14.6528908686 ))) 
6 0.1 0.1 peak 3368 volume 57.06159 ppm1 4.131 ppm2 0.991
 
! ############### c13noe.3369 folded +
assi (attr store1 < 8.175 and attr store1 > 8.075 )
     ((attr store1 < 4.158 and attr store1 > 4.098 ) and 
      (bondedto (attr store1 < 110.897109131  and attr store1 > 110.097109131 ) or 
       bondedto (attr store1 < 63.173  and attr store1 > 62.373 ) or 
       bondedto (attr store1 < 15.4488908686  and attr store1 > 14.6488908686 ))) 
6 0.1 0.1 peak 3369 volume 19.32695 ppm1 4.128 ppm2 8.125
 
! ############### c13noe.3370 folded +
assi (attr store1 < 4.488 and attr store1 > 4.388 )
     ((attr store1 < 4.157 and attr store1 > 4.097 ) and 
      (bondedto (attr store1 < 110.891109131  and attr store1 > 110.091109131 ) or 
       bondedto (attr store1 < 63.167  and attr store1 > 62.367 ) or 
       bondedto (attr store1 < 15.4428908686  and attr store1 > 14.6428908686 ))) 
6 0.1 0.1 peak 3370 volume 18.01488 ppm1 4.127 ppm2 4.438
 
! ############### c13noe.3371 folded +
assi (attr store1 < 0.971 and attr store1 > 0.871 )
     ((attr store1 < 4.157 and attr store1 > 4.097 ) and 
      (bondedto (attr store1 < 110.881109131  and attr store1 > 110.081109131 ) or 
       bondedto (attr store1 < 63.157  and attr store1 > 62.357 ) or 
       bondedto (attr store1 < 15.4328908686  and attr store1 > 14.6328908686 ))) 
6 0.1 0.1 peak 3371 volume 27.37876 ppm1 4.127 ppm2 0.921
 
! ############### c13noe.3372 folded +
assi (attr store1 < 4.487 and attr store1 > 4.387 )
     ((attr store1 < 4.109 and attr store1 > 4.049 ) and 
      (bondedto (attr store1 < 110.853109131  and attr store1 > 110.053109131 ) or 
       bondedto (attr store1 < 63.129  and attr store1 > 62.329 ) or 
       bondedto (attr store1 < 15.4048908686  and attr store1 > 14.6048908686 ))) 
6 0.1 0.1 peak 3372 volume 35.88837 ppm1 4.079 ppm2 4.437
 
! ############### c13noe.3373 folded +
assi (attr store1 < 0.934 and attr store1 > 0.834 )
     ((attr store1 < 4.087 and attr store1 > 4.027 ) and 
      (bondedto (attr store1 < 110.857109131  and attr store1 > 110.057109131 ) or 
       bondedto (attr store1 < 63.133  and attr store1 > 62.333 ) or 
       bondedto (attr store1 < 15.4088908686  and attr store1 > 14.6088908686 ))) 
6 0.1 0.1 peak 3373 volume 10.78223 ppm1 4.057 ppm2 0.884
 
! ############### c13noe.3374 folded +
assi (attr store1 < 1.003 and attr store1 > 0.903 )
     ((attr store1 < 4.076 and attr store1 > 4.016 ) and 
      (bondedto (attr store1 < 110.895109131  and attr store1 > 110.095109131 ) or 
       bondedto (attr store1 < 63.171  and attr store1 > 62.371 ) or 
       bondedto (attr store1 < 15.4468908686  and attr store1 > 14.6468908686 ))) 
6 0.1 0.1 peak 3374 volume 22.16068 ppm1 4.046 ppm2 0.953
 
! ############### c13noe.3375 folded +
assi (attr store1 < 3.822 and attr store1 > 3.722 )
     ((attr store1 < 4.072 and attr store1 > 4.012 ) and 
      (bondedto (attr store1 < 110.900109131  and attr store1 > 110.100109131 ) or 
       bondedto (attr store1 < 63.176  and attr store1 > 62.376 ) or 
       bondedto (attr store1 < 15.4518908686  and attr store1 > 14.6518908686 ))) 
6 0.1 0.1 peak 3375 volume 10.17242 ppm1 4.042 ppm2 3.772
 
! ############### c13noe.3376 folded +
assi (attr store1 < 4.737 and attr store1 > 4.637 )
     ((attr store1 < 4.065 and attr store1 > 4.005 ) and 
      (bondedto (attr store1 < 110.862109131  and attr store1 > 110.062109131 ) or 
       bondedto (attr store1 < 63.138  and attr store1 > 62.338 ) or 
       bondedto (attr store1 < 15.4138908686  and attr store1 > 14.6138908686 ))) 
6 0.1 0.1 peak 3376 volume 38.24365 ppm1 4.035 ppm2 4.687
 
! ############### c13noe.3377 folded +
assi (attr store1 < 4.162 and attr store1 > 4.062 )
     ((attr store1 < 3.847 and attr store1 > 3.787 ) and 
      (bondedto (attr store1 < 110.863109131  and attr store1 > 110.063109131 ) or 
       bondedto (attr store1 < 63.139  and attr store1 > 62.339 ) or 
       bondedto (attr store1 < 15.4148908686  and attr store1 > 14.6148908686 ))) 
6 0.1 0.1 peak 3377 volume 7.76204 ppm1 3.817 ppm2 4.112
 
! ############### c13noe.3378 folded -
assi (attr store1 < 8.106 and attr store1 > 8.006 )
     ((attr store1 < 1.92 and attr store1 > 1.86 ) and 
      (bondedto (attr store1 < 86.9740545657  and attr store1 > 86.1740545657 ) or 
       bondedto (attr store1 < 134.698163697  and attr store1 > 133.898163697) or 
       bondedto (attr store1 < 39.2499454343  and attr store1 > 38.4499454343 ))) 
6 0.1 0.1 peak 3378 volume 28.00499 ppm1 1.890 ppm2 8.056
 
! ############### c13noe.3379 folded -
assi (attr store1 < 4.21 and attr store1 > 4.11 )
     ((attr store1 < 1.92 and attr store1 > 1.86 ) and 
      (bondedto (attr store1 < 86.9670545657  and attr store1 > 86.1670545657 ) or 
       bondedto (attr store1 < 134.691163697  and attr store1 > 133.891163697) or 
       bondedto (attr store1 < 39.2429454343  and attr store1 > 38.4429454343 ))) 
6 0.1 0.1 peak 3379 volume 44.84101 ppm1 1.890 ppm2 4.160
 
! ############### c13noe.3380 folded -
assi (attr store1 < 0.969 and attr store1 > 0.869 )
     ((attr store1 < 1.922 and attr store1 > 1.862 ) and 
      (bondedto (attr store1 < 86.9760545657  and attr store1 > 86.1760545657 ) or 
       bondedto (attr store1 < 134.700163697  and attr store1 > 133.900163697) or 
       bondedto (attr store1 < 39.2519454343  and attr store1 > 38.4519454343 ))) 
6 0.1 0.1 peak 3380 volume 107.09056 ppm1 1.892 ppm2 0.919
 
! ############### c13noe.3381 folded -
assi (attr store1 < 4.048 and attr store1 > 3.948 )
     ((attr store1 < 1.925 and attr store1 > 1.865 ) and 
      (bondedto (attr store1 < 86.9240545657  and attr store1 > 86.1240545657 ) or 
       bondedto (attr store1 < 134.648163697  and attr store1 > 133.848163697) or 
       bondedto (attr store1 < 39.1999454343  and attr store1 > 38.3999454343 ))) 
6 0.1 0.1 peak 3381 volume 9.12866 ppm1 1.895 ppm2 3.998
 
! ############### c13noe.3382 folded -
assi (attr store1 < 1.496 and attr store1 > 1.396 )
     ((attr store1 < 1.921 and attr store1 > 1.861 ) and 
      (bondedto (attr store1 < 86.9370545657  and attr store1 > 86.1370545657 ) or 
       bondedto (attr store1 < 134.661163697  and attr store1 > 133.861163697) or 
       bondedto (attr store1 < 39.2129454343  and attr store1 > 38.4129454343 ))) 
6 0.1 0.1 peak 3382 volume 37.79631 ppm1 1.891 ppm2 1.446
 
! ############### c13noe.3383 folded -
assi (attr store1 < 1.263 and attr store1 > 1.163 )
     ((attr store1 < 1.92 and attr store1 > 1.86 ) and 
      (bondedto (attr store1 < 86.9420545657  and attr store1 > 86.1420545657 ) or 
       bondedto (attr store1 < 134.666163697  and attr store1 > 133.866163697) or 
       bondedto (attr store1 < 39.2179454343  and attr store1 > 38.4179454343 ))) 
6 0.1 0.1 peak 3383 volume 23.07325 ppm1 1.890 ppm2 1.213
 
! ############### c13noe.3384 folded -
assi (attr store1 < 8.37 and attr store1 > 8.27 )
     ((attr store1 < 1.917 and attr store1 > 1.857 ) and 
      (bondedto (attr store1 < 86.9400545657  and attr store1 > 86.1400545657 ) or 
       bondedto (attr store1 < 134.664163697  and attr store1 > 133.864163697) or 
       bondedto (attr store1 < 39.2159454343  and attr store1 > 38.4159454343 ))) 
6 0.1 0.1 peak 3384 volume 7.47556 ppm1 1.887 ppm2 8.320
 
! ############### c13noe.3385 folded -
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 1.916 and attr store1 > 1.856 ) and 
      (bondedto (attr store1 < 86.9560545657  and attr store1 > 86.1560545657 ) or 
       bondedto (attr store1 < 134.680163697  and attr store1 > 133.880163697) or 
       bondedto (attr store1 < 39.2319454343  and attr store1 > 38.4319454343 ))) 
6 0.1 0.1 peak 3385 volume 8.82601 ppm1 1.886 ppm2 4.688
 
! ############### c13noe.3386 folded +
assi (attr store1 < 8.76 and attr store1 > 8.66 )
     ((attr store1 < 4.128 and attr store1 > 4.068 ) and 
      (bondedto (attr store1 < 110.711109131  and attr store1 > 109.911109131 ) or 
       bondedto (attr store1 < 62.987  and attr store1 > 62.187 ) or 
       bondedto (attr store1 < 15.2628908686  and attr store1 > 14.4628908686 ))) 
6 0.1 0.1 peak 3386 volume 14.69068 ppm1 4.098 ppm2 8.710
 
! ############### c13noe.3387 folded +
assi (attr store1 < 8.374 and attr store1 > 8.274 )
     ((attr store1 < 4.124 and attr store1 > 4.064 ) and 
      (bondedto (attr store1 < 110.683109131  and attr store1 > 109.883109131 ) or 
       bondedto (attr store1 < 62.959  and attr store1 > 62.159 ) or 
       bondedto (attr store1 < 15.2348908686  and attr store1 > 14.4348908686 ))) 
6 0.1 0.1 peak 3387 volume 35.41646 ppm1 4.094 ppm2 8.324
 
! ############### c13noe.3388 folded +
assi (attr store1 < 1.728 and attr store1 > 1.628 )
     ((attr store1 < 4.121 and attr store1 > 4.061 ) and 
      (bondedto (attr store1 < 110.706109131  and attr store1 > 109.906109131 ) or 
       bondedto (attr store1 < 62.982  and attr store1 > 62.182 ) or 
       bondedto (attr store1 < 15.2578908686  and attr store1 > 14.4578908686 ))) 
6 0.1 0.1 peak 3388 volume 8.32781 ppm1 4.091 ppm2 1.678
 
! ############### c13noe.3389 folded +
assi (attr store1 < 1.647 and attr store1 > 1.547 )
     ((attr store1 < 4.121 and attr store1 > 4.061 ) and 
      (bondedto (attr store1 < 110.684109131  and attr store1 > 109.884109131 ) or 
       bondedto (attr store1 < 62.96  and attr store1 > 62.16 ) or 
       bondedto (attr store1 < 15.2358908686  and attr store1 > 14.4358908686 ))) 
6 0.1 0.1 peak 3389 volume 13.36445 ppm1 4.091 ppm2 1.597
 
! ############### c13noe.3390 folded +
assi (attr store1 < 0.984 and attr store1 > 0.884 )
     ((attr store1 < 4.12 and attr store1 > 4.06 ) and 
      (bondedto (attr store1 < 110.695109131  and attr store1 > 109.895109131 ) or 
       bondedto (attr store1 < 62.971  and attr store1 > 62.171 ) or 
       bondedto (attr store1 < 15.2468908686  and attr store1 > 14.4468908686 ))) 
6 0.1 0.1 peak 3390 volume 22.12408 ppm1 4.090 ppm2 0.934
 
! ############### c13noe.3391 folded +
assi (attr store1 < 2.23 and attr store1 > 2.13 )
     ((attr store1 < 3.925 and attr store1 > 3.865 ) and 
      (bondedto (attr store1 < 110.693109131  and attr store1 > 109.893109131 ) or 
       bondedto (attr store1 < 62.969  and attr store1 > 62.169 ) or 
       bondedto (attr store1 < 15.2448908686  and attr store1 > 14.4448908686 ))) 
6 0.1 0.1 peak 3391 volume 8.76141 ppm1 3.895 ppm2 2.180
 
! ############### c13noe.3392 folded +
assi (attr store1 < 3.238 and attr store1 > 3.138 )
     ((attr store1 < 3.914 and attr store1 > 3.854 ) and 
      (bondedto (attr store1 < 110.674109131  and attr store1 > 109.874109131 ) or 
       bondedto (attr store1 < 62.95  and attr store1 > 62.15 ) or 
       bondedto (attr store1 < 15.2258908686  and attr store1 > 14.4258908686 ))) 
6 0.1 0.1 peak 3392 volume 9.50431 ppm1 3.884 ppm2 3.188
 
! ############### c13noe.3393 folded +
assi (attr store1 < 7.897 and attr store1 > 7.797 )
     ((attr store1 < 3.906 and attr store1 > 3.846 ) and 
      (bondedto (attr store1 < 110.668109131  and attr store1 > 109.868109131 ) or 
       bondedto (attr store1 < 62.944  and attr store1 > 62.144 ) or 
       bondedto (attr store1 < 15.2198908686  and attr store1 > 14.4198908686 ))) 
6 0.1 0.1 peak 3393 volume 9.30333 ppm1 3.876 ppm2 7.847
 
! ############### c13noe.3394 folded +
assi (attr store1 < 7.155 and attr store1 > 7.055 )
     ((attr store1 < 3.903 and attr store1 > 3.843 ) and 
      (bondedto (attr store1 < 110.662109131  and attr store1 > 109.862109131 ) or 
       bondedto (attr store1 < 62.938  and attr store1 > 62.138 ) or 
       bondedto (attr store1 < 15.2138908686  and attr store1 > 14.4138908686 ))) 
6 0.1 0.1 peak 3394 volume 10.57720 ppm1 3.873 ppm2 7.105
 
! ############### c13noe.3395 folded +
assi (attr store1 < 0.864 and attr store1 > 0.764 )
     ((attr store1 < 3.907 and attr store1 > 3.847 ) and 
      (bondedto (attr store1 < 110.663109131  and attr store1 > 109.863109131 ) or 
       bondedto (attr store1 < 62.939  and attr store1 > 62.139 ) or 
       bondedto (attr store1 < 15.2148908686  and attr store1 > 14.4148908686 ))) 
6 0.1 0.1 peak 3395 volume 7.68663 ppm1 3.877 ppm2 0.814
 
! ############### c13noe.3396 folded -
assi (attr store1 < 8.658 and attr store1 > 8.558 )
     ((attr store1 < 3.096 and attr store1 > 3.036 ) and 
      (bondedto (attr store1 < 86.7800545657  and attr store1 > 85.9800545657 ) or 
       bondedto (attr store1 < 134.504163697  and attr store1 > 133.704163697) or 
       bondedto (attr store1 < 39.0559454343  and attr store1 > 38.2559454343 ))) 
6 0.1 0.1 peak 3396 volume 13.66742 ppm1 3.066 ppm2 8.608
 
! ############### c13noe.3397 folded -
assi (attr store1 < 6.901 and attr store1 > 6.801 )
     ((attr store1 < 3.093 and attr store1 > 3.033 ) and 
      (bondedto (attr store1 < 86.7910545657  and attr store1 > 85.9910545657 ) or 
       bondedto (attr store1 < 134.515163697  and attr store1 > 133.715163697) or 
       bondedto (attr store1 < 39.0669454343  and attr store1 > 38.2669454343 ))) 
6 0.1 0.1 peak 3397 volume 6.57705 ppm1 3.063 ppm2 6.851
 
! ############### c13noe.3398 folded -
assi (attr store1 < 4.395 and attr store1 > 4.295 )
     ((attr store1 < 3.092 and attr store1 > 3.032 ) and 
      (bondedto (attr store1 < 86.7780545657  and attr store1 > 85.9780545657 ) or 
       bondedto (attr store1 < 134.502163697  and attr store1 > 133.702163697) or 
       bondedto (attr store1 < 39.0539454343  and attr store1 > 38.2539454343 ))) 
6 0.1 0.1 peak 3398 volume 20.61883 ppm1 3.062 ppm2 4.345
 
! ############### c13noe.3399 folded -
assi (attr store1 < 8.657 and attr store1 > 8.557 )
     ((attr store1 < 2.941 and attr store1 > 2.881 ) and 
      (bondedto (attr store1 < 86.7910545657  and attr store1 > 85.9910545657 ) or 
       bondedto (attr store1 < 134.515163697  and attr store1 > 133.715163697) or 
       bondedto (attr store1 < 39.0669454343  and attr store1 > 38.2669454343 ))) 
6 0.1 0.1 peak 3399 volume 13.90478 ppm1 2.911 ppm2 8.607
 
! ############### c13noe.3400 folded -
assi (attr store1 < 4.5 and attr store1 > 4.4 )
     ((attr store1 < 2.935 and attr store1 > 2.875 ) and 
      (bondedto (attr store1 < 86.7750545657  and attr store1 > 85.9750545657 ) or 
       bondedto (attr store1 < 134.499163697  and attr store1 > 133.699163697) or 
       bondedto (attr store1 < 39.0509454343  and attr store1 > 38.2509454343 ))) 
6 0.1 0.1 peak 3400 volume 26.3847 ppm1 2.905 ppm2 4.450
 
! ############### c13noe.3401 folded -
assi (attr store1 < 3.111 and attr store1 > 3.011 )
     ((attr store1 < 2.933 and attr store1 > 2.873 ) and 
      (bondedto (attr store1 < 86.7940545657  and attr store1 > 85.9940545657 ) or 
       bondedto (attr store1 < 134.518163697  and attr store1 > 133.718163697) or 
       bondedto (attr store1 < 39.0699454343  and attr store1 > 38.2699454343 ))) 
6 0.1 0.1 peak 3401 volume 104.85952 ppm1 2.903 ppm2 3.061
 
! ############### c13noe.3402 folded -
assi (attr store1 < 2.833 and attr store1 > 2.733 )
     ((attr store1 < 2.912 and attr store1 > 2.852 ) and 
      (bondedto (attr store1 < 86.8210545657  and attr store1 > 86.0210545657 ) or 
       bondedto (attr store1 < 134.545163697  and attr store1 > 133.745163697) or 
       bondedto (attr store1 < 39.0969454343  and attr store1 > 38.2969454343 ))) 
6 0.1 0.1 peak 3402 volume 43.24401 ppm1 2.882 ppm2 2.783
 
! ############### c13noe.3403 folded -
assi (attr store1 < 4.523 and attr store1 > 4.423 )
     ((attr store1 < 2.651 and attr store1 > 2.591 ) and 
      (bondedto (attr store1 < 86.7890545657  and attr store1 > 85.9890545657 ) or 
       bondedto (attr store1 < 134.513163697  and attr store1 > 133.713163697) or 
       bondedto (attr store1 < 39.0649454343  and attr store1 > 38.2649454343 ))) 
6 0.1 0.1 peak 3403 volume 7.82868 ppm1 2.621 ppm2 4.473
 
! ############### c13noe.3404 folded -
assi (attr store1 < 8.175 and attr store1 > 8.075 )
     ((attr store1 < 2.064 and attr store1 > 2.004 ) and 
      (bondedto (attr store1 < 86.7870545657  and attr store1 > 85.9870545657 ) or 
       bondedto (attr store1 < 134.511163697  and attr store1 > 133.711163697) or 
       bondedto (attr store1 < 39.0629454343  and attr store1 > 38.2629454343 ))) 
6 0.1 0.1 peak 3404 volume 13.26058 ppm1 2.034 ppm2 8.125
 
! ############### c13noe.3405 folded -
assi (attr store1 < 1.693 and attr store1 > 1.593 )
     ((attr store1 < 2.063 and attr store1 > 2.003 ) and 
      (bondedto (attr store1 < 86.8120545657  and attr store1 > 86.0120545657 ) or 
       bondedto (attr store1 < 134.536163697  and attr store1 > 133.736163697) or 
       bondedto (attr store1 < 39.0879454343  and attr store1 > 38.2879454343 ))) 
6 0.1 0.1 peak 3405 volume 32.44355 ppm1 2.033 ppm2 1.643
 
! ############### c13noe.3406 folded -
assi (attr store1 < 1.038 and attr store1 > 0.938 )
     ((attr store1 < 2.063 and attr store1 > 2.003 ) and 
      (bondedto (attr store1 < 86.8170545657  and attr store1 > 86.0170545657 ) or 
       bondedto (attr store1 < 134.541163697  and attr store1 > 133.741163697) or 
       bondedto (attr store1 < 39.0929454343  and attr store1 > 38.2929454343 ))) 
6 0.1 0.1 peak 3406 volume 107.22192 ppm1 2.033 ppm2 0.988
 
! ############### c13noe.3407 folded -
assi (attr store1 < 0.971 and attr store1 > 0.871 )
     ((attr store1 < 2.063 and attr store1 > 2.003 ) and 
      (bondedto (attr store1 < 86.8040545657  and attr store1 > 86.0040545657 ) or 
       bondedto (attr store1 < 134.528163697  and attr store1 > 133.728163697) or 
       bondedto (attr store1 < 39.0799454343  and attr store1 > 38.2799454343 ))) 
6 0.1 0.1 peak 3407 volume 59.3194 ppm1 2.033 ppm2 0.921
 
! ############### c13noe.3408 folded -
assi (attr store1 < 7.944 and attr store1 > 7.844 )
     ((attr store1 < 2.061 and attr store1 > 2.001 ) and 
      (bondedto (attr store1 < 86.8000545657  and attr store1 > 86.0000545657 ) or 
       bondedto (attr store1 < 134.524163697  and attr store1 > 133.724163697) or 
       bondedto (attr store1 < 39.0759454343  and attr store1 > 38.2759454343 ))) 
6 0.1 0.1 peak 3408 volume 46.56344 ppm1 2.031 ppm2 7.894
 
! ############### c13noe.3409 folded -
assi (attr store1 < 4.251 and attr store1 > 4.151 )
     ((attr store1 < 2.06 and attr store1 > 2.0 ) and 
      (bondedto (attr store1 < 86.8080545657  and attr store1 > 86.0080545657 ) or 
       bondedto (attr store1 < 134.532163697  and attr store1 > 133.732163697) or 
       bondedto (attr store1 < 39.0839454343  and attr store1 > 38.2839454343 ))) 
6 0.1 0.1 peak 3409 volume 19.73365 ppm1 2.030 ppm2 4.201
 
! ############### c13noe.3410 folded -
assi (attr store1 < 4.187 and attr store1 > 4.087 )
     ((attr store1 < 2.059 and attr store1 > 1.999 ) and 
      (bondedto (attr store1 < 86.7810545657  and attr store1 > 85.9810545657 ) or 
       bondedto (attr store1 < 134.505163697  and attr store1 > 133.705163697) or 
       bondedto (attr store1 < 39.0569454343  and attr store1 > 38.2569454343 ))) 
6 0.1 0.1 peak 3410 volume 28.42678 ppm1 2.029 ppm2 4.137
 
! ############### c13noe.3411 folded -
assi (attr store1 < 1.374 and attr store1 > 1.274 )
     ((attr store1 < 2.058 and attr store1 > 1.998 ) and 
      (bondedto (attr store1 < 86.8280545657  and attr store1 > 86.0280545657 ) or 
       bondedto (attr store1 < 134.552163697  and attr store1 > 133.752163697) or 
       bondedto (attr store1 < 39.1039454343  and attr store1 > 38.3039454343 ))) 
6 0.1 0.1 peak 3411 volume 17.67394 ppm1 2.028 ppm2 1.324
 
! ############### c13noe.3412 folded -
assi (attr store1 < 1.851 and attr store1 > 1.751 )
     ((attr store1 < 1.756 and attr store1 > 1.696 ) and 
      (bondedto (attr store1 < 86.8010545657  and attr store1 > 86.0010545657 ) or 
       bondedto (attr store1 < 134.525163697  and attr store1 > 133.725163697) or 
       bondedto (attr store1 < 39.0769454343  and attr store1 > 38.2769454343 ))) 
6 0.1 0.1 peak 3412 volume 11.65396 ppm1 1.726 ppm2 1.801
 
! ############### c13noe.3413 folded -
assi (attr store1 < 1.947 and attr store1 > 1.847 )
     ((attr store1 < 1.752 and attr store1 > 1.692 ) and 
      (bondedto (attr store1 < 86.7910545657  and attr store1 > 85.9910545657 ) or 
       bondedto (attr store1 < 134.515163697  and attr store1 > 133.715163697) or 
       bondedto (attr store1 < 39.0669454343  and attr store1 > 38.2669454343 ))) 
6 0.1 0.1 peak 3413 volume 9.31159 ppm1 1.722 ppm2 1.897
 
! ############### c13noe.3414 folded +
assi (attr store1 < 1.043 and attr store1 > 0.943 )
     ((attr store1 < 3.913 and attr store1 > 3.853 ) and 
      (bondedto (attr store1 < 110.598109131  and attr store1 > 109.798109131 ) or 
       bondedto (attr store1 < 62.874  and attr store1 > 62.074 ) or 
       bondedto (attr store1 < 15.1498908686  and attr store1 > 14.3498908686 ))) 
6 0.1 0.1 peak 3414 volume 17.96791 ppm1 3.883 ppm2 0.993
 
! ############### c13noe.3415 folded +
assi (attr store1 < 3.136 and attr store1 > 3.036 )
     ((attr store1 < 3.91 and attr store1 > 3.85 ) and 
      (bondedto (attr store1 < 110.614109131  and attr store1 > 109.814109131 ) or 
       bondedto (attr store1 < 62.89  and attr store1 > 62.09 ) or 
       bondedto (attr store1 < 15.1658908686  and attr store1 > 14.3658908686 ))) 
6 0.1 0.1 peak 3415 volume 11.79808 ppm1 3.880 ppm2 3.086
 
! ############### c13noe.3416 folded +
assi (attr store1 < 2.237 and attr store1 > 2.137 )
     ((attr store1 < 3.91 and attr store1 > 3.85 ) and 
      (bondedto (attr store1 < 110.583109131  and attr store1 > 109.783109131 ) or 
       bondedto (attr store1 < 62.859  and attr store1 > 62.059 ) or 
       bondedto (attr store1 < 15.1348908686  and attr store1 > 14.3348908686 ))) 
6 0.1 0.1 peak 3416 volume 10.23048 ppm1 3.880 ppm2 2.187
 
! ############### c13noe.3417 folded +
assi (attr store1 < 1.123 and attr store1 > 1.023 )
     ((attr store1 < 3.906 and attr store1 > 3.846 ) and 
      (bondedto (attr store1 < 110.634109131  and attr store1 > 109.834109131 ) or 
       bondedto (attr store1 < 62.91  and attr store1 > 62.11 ) or 
       bondedto (attr store1 < 15.1858908686  and attr store1 > 14.3858908686 ))) 
6 0.1 0.1 peak 3417 volume 15.56435 ppm1 3.876 ppm2 1.073
 
! ############### c13noe.3418 folded +
assi (attr store1 < 0.957 and attr store1 > 0.857 )
     ((attr store1 < 3.906 and attr store1 > 3.846 ) and 
      (bondedto (attr store1 < 110.598109131  and attr store1 > 109.798109131 ) or 
       bondedto (attr store1 < 62.874  and attr store1 > 62.074 ) or 
       bondedto (attr store1 < 15.1498908686  and attr store1 > 14.3498908686 ))) 
6 0.1 0.1 peak 3418 volume 8.85181 ppm1 3.876 ppm2 0.907
 
! ############### c13noe.3419 folded +
assi (attr store1 < 3.912 and attr store1 > 3.812 )
     ((attr store1 < 3.805 and attr store1 > 3.745 ) and 
      (bondedto (attr store1 < 110.596109131  and attr store1 > 109.796109131 ) or 
       bondedto (attr store1 < 62.872  and attr store1 > 62.072 ) or 
       bondedto (attr store1 < 15.1478908686  and attr store1 > 14.3478908686 ))) 
6 0.1 0.1 peak 3419 volume 27.82896 ppm1 3.775 ppm2 3.862
 
! ############### c13noe.3420 folded -
assi (attr store1 < 2.664 and attr store1 > 2.564 )
     ((attr store1 < 3.391 and attr store1 > 3.331 ) and 
      (bondedto (attr store1 < 86.7340545657  and attr store1 > 85.9340545657 ) or 
       bondedto (attr store1 < 134.458163697  and attr store1 > 133.658163697) or 
       bondedto (attr store1 < 39.0099454343  and attr store1 > 38.2099454343 ))) 
6 0.1 0.1 peak 3420 volume 9.44884 ppm1 3.361 ppm2 2.614
 
! ############### c13noe.3421 folded -
assi (attr store1 < 2.668 and attr store1 > 2.568 )
     ((attr store1 < 3.373 and attr store1 > 3.313 ) and 
      (bondedto (attr store1 < 86.7250545657  and attr store1 > 85.9250545657 ) or 
       bondedto (attr store1 < 134.449163697  and attr store1 > 133.649163697) or 
       bondedto (attr store1 < 39.0009454343  and attr store1 > 38.2009454343 ))) 
6 0.1 0.1 peak 3421 volume 9.64119 ppm1 3.343 ppm2 2.618
 
! ############### c13noe.3422 folded -
assi (attr store1 < 8.581 and attr store1 > 8.481 )
     ((attr store1 < 3.09 and attr store1 > 3.03 ) and 
      (bondedto (attr store1 < 86.7540545657  and attr store1 > 85.9540545657 ) or 
       bondedto (attr store1 < 134.478163697  and attr store1 > 133.678163697) or 
       bondedto (attr store1 < 39.0299454343  and attr store1 > 38.2299454343 ))) 
6 0.1 0.1 peak 3422 volume 7.53965 ppm1 3.060 ppm2 8.531
 
! ############### c13noe.3423 folded -
assi (attr store1 < 8.495 and attr store1 > 8.395 )
     ((attr store1 < 3.092 and attr store1 > 3.032 ) and 
      (bondedto (attr store1 < 86.7720545657  and attr store1 > 85.9720545657 ) or 
       bondedto (attr store1 < 134.496163697  and attr store1 > 133.696163697) or 
       bondedto (attr store1 < 39.0479454343  and attr store1 > 38.2479454343 ))) 
6 0.1 0.1 peak 3423 volume 25.49822 ppm1 3.062 ppm2 8.445
 
! ############### c13noe.3424 folded -
assi (attr store1 < 7.604 and attr store1 > 7.504 )
     ((attr store1 < 3.093 and attr store1 > 3.033 ) and 
      (bondedto (attr store1 < 86.7600545657  and attr store1 > 85.9600545657 ) or 
       bondedto (attr store1 < 134.484163697  and attr store1 > 133.684163697) or 
       bondedto (attr store1 < 39.0359454343  and attr store1 > 38.2359454343 ))) 
6 0.1 0.1 peak 3424 volume 12.01079 ppm1 3.063 ppm2 7.554
 
! ############### c13noe.3425 folded -
assi (attr store1 < 4.5 and attr store1 > 4.4 )
     ((attr store1 < 3.09 and attr store1 > 3.03 ) and 
      (bondedto (attr store1 < 86.7570545657  and attr store1 > 85.9570545657 ) or 
       bondedto (attr store1 < 134.481163697  and attr store1 > 133.681163697) or 
       bondedto (attr store1 < 39.0329454343  and attr store1 > 38.2329454343 ))) 
6 0.1 0.1 peak 3425 volume 25.22492 ppm1 3.060 ppm2 4.450
 
! ############### c13noe.3426 folded -
assi (attr store1 < 2.957 and attr store1 > 2.857 )
     ((attr store1 < 3.091 and attr store1 > 3.031 ) and 
      (bondedto (attr store1 < 86.7660545657  and attr store1 > 85.9660545657 ) or 
       bondedto (attr store1 < 134.490163697  and attr store1 > 133.690163697) or 
       bondedto (attr store1 < 39.0419454343  and attr store1 > 38.2419454343 ))) 
6 0.1 0.1 peak 3426 volume 101.67445 ppm1 3.061 ppm2 2.907
 
! ############### c13noe.3427 folded -
assi (attr store1 < 7.641 and attr store1 > 7.541 )
     ((attr store1 < 2.969 and attr store1 > 2.909 ) and 
      (bondedto (attr store1 < 86.7120545657  and attr store1 > 85.9120545657 ) or 
       bondedto (attr store1 < 134.436163697  and attr store1 > 133.636163697) or 
       bondedto (attr store1 < 38.9879454343  and attr store1 > 38.1879454343 ))) 
6 0.1 0.1 peak 3427 volume 13.8294 ppm1 2.939 ppm2 7.591
 
! ############### c13noe.3428 folded -
assi (attr store1 < 6.893 and attr store1 > 6.793 )
     ((attr store1 < 2.971 and attr store1 > 2.911 ) and 
      (bondedto (attr store1 < 86.6910545657  and attr store1 > 85.8910545657 ) or 
       bondedto (attr store1 < 134.415163697  and attr store1 > 133.615163697) or 
       bondedto (attr store1 < 38.9669454343  and attr store1 > 38.1669454343 ))) 
6 0.1 0.1 peak 3428 volume 8.01828 ppm1 2.941 ppm2 6.843
 
! ############### c13noe.3429 folded -
assi (attr store1 < 2.832 and attr store1 > 2.732 )
     ((attr store1 < 2.971 and attr store1 > 2.911 ) and 
      (bondedto (attr store1 < 86.6820545657  and attr store1 > 85.8820545657 ) or 
       bondedto (attr store1 < 134.406163697  and attr store1 > 133.606163697) or 
       bondedto (attr store1 < 38.9579454343  and attr store1 > 38.1579454343 ))) 
6 0.1 0.1 peak 3429 volume 282.29153 ppm1 2.941 ppm2 2.782
 
! ############### c13noe.3430 folded -
assi (attr store1 < 7.615 and attr store1 > 7.515 )
     ((attr store1 < 2.944 and attr store1 > 2.884 ) and 
      (bondedto (attr store1 < 86.7340545657  and attr store1 > 85.9340545657 ) or 
       bondedto (attr store1 < 134.458163697  and attr store1 > 133.658163697) or 
       bondedto (attr store1 < 39.0099454343  and attr store1 > 38.2099454343 ))) 
6 0.1 0.1 peak 3430 volume 10.64143 ppm1 2.914 ppm2 7.565
 
! ############### c13noe.3431 folded -
assi (attr store1 < 8.496 and attr store1 > 8.396 )
     ((attr store1 < 2.937 and attr store1 > 2.877 ) and 
      (bondedto (attr store1 < 86.7470545657  and attr store1 > 85.9470545657 ) or 
       bondedto (attr store1 < 134.471163697  and attr store1 > 133.671163697) or 
       bondedto (attr store1 < 39.0229454343  and attr store1 > 38.2229454343 ))) 
6 0.1 0.1 peak 3431 volume 24.53472 ppm1 2.907 ppm2 8.446
 
! ############### c13noe.3432 folded -
assi (attr store1 < 6.901 and attr store1 > 6.801 )
     ((attr store1 < 2.938 and attr store1 > 2.878 ) and 
      (bondedto (attr store1 < 86.7440545657  and attr store1 > 85.9440545657 ) or 
       bondedto (attr store1 < 134.468163697  and attr store1 > 133.668163697) or 
       bondedto (attr store1 < 39.0199454343  and attr store1 > 38.2199454343 ))) 
6 0.1 0.1 peak 3432 volume 7.35906 ppm1 2.908 ppm2 6.851
 
! ############### c13noe.3433 folded -
assi (attr store1 < 4.397 and attr store1 > 4.297 )
     ((attr store1 < 2.938 and attr store1 > 2.878 ) and 
      (bondedto (attr store1 < 86.7550545657  and attr store1 > 85.9550545657 ) or 
       bondedto (attr store1 < 134.479163697  and attr store1 > 133.679163697) or 
       bondedto (attr store1 < 39.0309454343  and attr store1 > 38.2309454343 ))) 
6 0.1 0.1 peak 3433 volume 21.28637 ppm1 2.908 ppm2 4.347
 
! ############### c13noe.3434 folded -
assi (attr store1 < 7.613 and attr store1 > 7.513 )
     ((attr store1 < 2.935 and attr store1 > 2.875 ) and 
      (bondedto (attr store1 < 86.7670545657  and attr store1 > 85.9670545657 ) or 
       bondedto (attr store1 < 134.491163697  and attr store1 > 133.691163697) or 
       bondedto (attr store1 < 39.0429454343  and attr store1 > 38.2429454343 ))) 
6 0.1 0.1 peak 3434 volume 10.18571 ppm1 2.905 ppm2 7.563
 
! ############### c13noe.3435 folded -
assi (attr store1 < 7.64 and attr store1 > 7.54 )
     ((attr store1 < 2.811 and attr store1 > 2.751 ) and 
      (bondedto (attr store1 < 86.7020545657  and attr store1 > 85.9020545657 ) or 
       bondedto (attr store1 < 134.426163697  and attr store1 > 133.626163697) or 
       bondedto (attr store1 < 38.9779454343  and attr store1 > 38.1779454343 ))) 
6 0.1 0.1 peak 3435 volume 17.04568 ppm1 2.781 ppm2 7.590
 
! ############### c13noe.3436 folded -
assi (attr store1 < 6.891 and attr store1 > 6.791 )
     ((attr store1 < 2.812 and attr store1 > 2.752 ) and 
      (bondedto (attr store1 < 86.7030545657  and attr store1 > 85.9030545657 ) or 
       bondedto (attr store1 < 134.427163697  and attr store1 > 133.627163697) or 
       bondedto (attr store1 < 38.9789454343  and attr store1 > 38.1789454343 ))) 
6 0.1 0.1 peak 3436 volume 10.10853 ppm1 2.782 ppm2 6.841
 
! ############### c13noe.3437 folded -
assi (attr store1 < 2.994 and attr store1 > 2.894 )
     ((attr store1 < 2.81 and attr store1 > 2.75 ) and 
      (bondedto (attr store1 < 86.6920545657  and attr store1 > 85.8920545657 ) or 
       bondedto (attr store1 < 134.416163697  and attr store1 > 133.616163697) or 
       bondedto (attr store1 < 38.9679454343  and attr store1 > 38.1679454343 ))) 
6 0.1 0.1 peak 3437 volume 295.02982 ppm1 2.780 ppm2 2.944
 
! ############### c13noe.3438 folded -
assi (attr store1 < 8.65 and attr store1 > 8.55 )
     ((attr store1 < 2.803 and attr store1 > 2.743 ) and 
      (bondedto (attr store1 < 86.7160545657  and attr store1 > 85.9160545657 ) or 
       bondedto (attr store1 < 134.440163697  and attr store1 > 133.640163697) or 
       bondedto (attr store1 < 38.9919454343  and attr store1 > 38.1919454343 ))) 
6 0.1 0.1 peak 3438 volume 7.77199 ppm1 2.773 ppm2 8.600
 
! ############### c13noe.3439 folded -
assi (attr store1 < 3.398 and attr store1 > 3.298 )
     ((attr store1 < 2.638 and attr store1 > 2.578 ) and 
      (bondedto (attr store1 < 86.7190545657  and attr store1 > 85.9190545657 ) or 
       bondedto (attr store1 < 134.443163697  and attr store1 > 133.643163697) or 
       bondedto (attr store1 < 38.9949454343  and attr store1 > 38.1949454343 ))) 
6 0.1 0.1 peak 3439 volume 9.84037 ppm1 2.608 ppm2 3.348
 
! ############### c13noe.3440 folded -
assi (attr store1 < 7.963 and attr store1 > 7.863 )
     ((attr store1 < 2.008 and attr store1 > 1.948 ) and 
      (bondedto (attr store1 < 86.6980545657  and attr store1 > 85.8980545657 ) or 
       bondedto (attr store1 < 134.422163697  and attr store1 > 133.622163697) or 
       bondedto (attr store1 < 38.9739454343  and attr store1 > 38.1739454343 ))) 
6 0.1 0.1 peak 3440 volume 20.97162 ppm1 1.978 ppm2 7.913
 
! ############### c13noe.3441 folded -
assi (attr store1 < 1.126 and attr store1 > 1.026 )
     ((attr store1 < 2.008 and attr store1 > 1.948 ) and 
      (bondedto (attr store1 < 86.6990545657  and attr store1 > 85.8990545657 ) or 
       bondedto (attr store1 < 134.423163697  and attr store1 > 133.623163697) or 
       bondedto (attr store1 < 38.9749454343  and attr store1 > 38.1749454343 ))) 
6 0.1 0.1 peak 3441 volume 10.44154 ppm1 1.978 ppm2 1.076
 
! ############### c13noe.3442 folded -
assi (attr store1 < 1.497 and attr store1 > 1.397 )
     ((attr store1 < 1.24 and attr store1 > 1.18 ) and 
      (bondedto (attr store1 < 86.7100545657  and attr store1 > 85.9100545657 ) or 
       bondedto (attr store1 < 134.434163697  and attr store1 > 133.634163697) or 
       bondedto (attr store1 < 38.9859454343  and attr store1 > 38.1859454343 ))) 
6 0.1 0.1 peak 3442 volume 12.29621 ppm1 1.210 ppm2 1.447
 
! ############### c13noe.3443 folded +
assi (attr store1 < 4.274 and attr store1 > 4.174 )
     ((attr store1 < 3.987 and attr store1 > 3.927 ) and 
      (bondedto (attr store1 < 110.527109131  and attr store1 > 109.727109131 ) or 
       bondedto (attr store1 < 62.803  and attr store1 > 62.003 ) or 
       bondedto (attr store1 < 15.0788908686  and attr store1 > 14.2788908686 ))) 
6 0.1 0.1 peak 3443 volume 16.35707 ppm1 3.957 ppm2 4.224
 
! ############### c13noe.3444 folded +
assi (attr store1 < 4.737 and attr store1 > 4.637 )
     ((attr store1 < 3.981 and attr store1 > 3.921 ) and 
      (bondedto (attr store1 < 110.533109131  and attr store1 > 109.733109131 ) or 
       bondedto (attr store1 < 62.809  and attr store1 > 62.009 ) or 
       bondedto (attr store1 < 15.0848908686  and attr store1 > 14.2848908686 ))) 
6 0.1 0.1 peak 3444 volume 19.97058 ppm1 3.951 ppm2 4.687
 
! ############### c13noe.3445 folded -
assi (attr store1 < 4.698 and attr store1 > 4.598 )
     ((attr store1 < 2.978 and attr store1 > 2.918 ) and 
      (bondedto (attr store1 < 86.6500545657  and attr store1 > 85.8500545657 ) or 
       bondedto (attr store1 < 134.374163697  and attr store1 > 133.574163697) or 
       bondedto (attr store1 < 38.9259454343  and attr store1 > 38.1259454343 ))) 
6 0.1 0.1 peak 3445 volume 67.15569 ppm1 2.948 ppm2 4.648
 
! ############### c13noe.3446 folded -
assi (attr store1 < 4.697 and attr store1 > 4.597 )
     ((attr store1 < 2.81 and attr store1 > 2.75 ) and 
      (bondedto (attr store1 < 86.6740545657  and attr store1 > 85.8740545657 ) or 
       bondedto (attr store1 < 134.398163697  and attr store1 > 133.598163697) or 
       bondedto (attr store1 < 38.9499454343  and attr store1 > 38.1499454343 ))) 
6 0.1 0.1 peak 3446 volume 42.05873 ppm1 2.780 ppm2 4.647
 
! ############### c13noe.3447 folded -
assi (attr store1 < 4.004 and attr store1 > 3.904 )
     ((attr store1 < 2.005 and attr store1 > 1.945 ) and 
      (bondedto (attr store1 < 86.6340545657  and attr store1 > 85.8340545657 ) or 
       bondedto (attr store1 < 134.358163697  and attr store1 > 133.558163697) or 
       bondedto (attr store1 < 38.9099454343  and attr store1 > 38.1099454343 ))) 
6 0.1 0.1 peak 3447 volume 20.04608 ppm1 1.975 ppm2 3.954
 
! ############### c13noe.3448 folded -
assi (attr store1 < 1.475 and attr store1 > 1.375 )
     ((attr store1 < 2.005 and attr store1 > 1.945 ) and 
      (bondedto (attr store1 < 86.6680545657  and attr store1 > 85.8680545657 ) or 
       bondedto (attr store1 < 134.392163697  and attr store1 > 133.592163697) or 
       bondedto (attr store1 < 38.9439454343  and attr store1 > 38.1439454343 ))) 
6 0.1 0.1 peak 3448 volume 12.04516 ppm1 1.975 ppm2 1.425
 
! ############### c13noe.3449 folded -
assi (attr store1 < 0.656 and attr store1 > 0.556 )
     ((attr store1 < 2.004 and attr store1 > 1.944 ) and 
      (bondedto (attr store1 < 86.6430545657  and attr store1 > 85.8430545657 ) or 
       bondedto (attr store1 < 134.367163697  and attr store1 > 133.567163697) or 
       bondedto (attr store1 < 38.9189454343  and attr store1 > 38.1189454343 ))) 
6 0.1 0.1 peak 3449 volume 17.85372 ppm1 1.974 ppm2 0.606
 
! ############### c13noe.3450 folded -
assi (attr store1 < 4.094 and attr store1 > 3.994 )
     ((attr store1 < 1.999 and attr store1 > 1.939 ) and 
      (bondedto (attr store1 < 86.6080545657  and attr store1 > 85.8080545657 ) or 
       bondedto (attr store1 < 134.332163697  and attr store1 > 133.532163697) or 
       bondedto (attr store1 < 38.8839454343  and attr store1 > 38.0839454343 ))) 
6 0.1 0.1 peak 3450 volume 8.59392 ppm1 1.969 ppm2 4.044
 
! ############### c13noe.3451 folded -
assi (attr store1 < 0.927 and attr store1 > 0.827 )
     ((attr store1 < 1.998 and attr store1 > 1.938 ) and 
      (bondedto (attr store1 < 86.6240545657  and attr store1 > 85.8240545657 ) or 
       bondedto (attr store1 < 134.348163697  and attr store1 > 133.548163697) or 
       bondedto (attr store1 < 38.8999454343  and attr store1 > 38.0999454343 ))) 
6 0.1 0.1 peak 3451 volume 41.87312 ppm1 1.968 ppm2 0.877
 
! ############### c13noe.3452 folded +
assi (attr store1 < 3.353 and attr store1 > 3.253 )
     ((attr store1 < 4.434 and attr store1 > 4.374 ) and 
      (bondedto (attr store1 < 110.421109131  and attr store1 > 109.621109131 ) or 
       bondedto (attr store1 < 62.697  and attr store1 > 61.897 ) or 
       bondedto (attr store1 < 14.9728908686  and attr store1 > 14.1728908686 ))) 
6 0.1 0.1 peak 3452 volume 8.94712 ppm1 4.404 ppm2 3.303
 
! ############### c13noe.3453 folded +
assi (attr store1 < 6.983 and attr store1 > 6.883 )
     ((attr store1 < 4.428 and attr store1 > 4.368 ) and 
      (bondedto (attr store1 < 110.436109131  and attr store1 > 109.636109131 ) or 
       bondedto (attr store1 < 62.712  and attr store1 > 61.912 ) or 
       bondedto (attr store1 < 14.9878908686  and attr store1 > 14.1878908686 ))) 
6 0.1 0.1 peak 3453 volume 17.34879 ppm1 4.398 ppm2 6.933
 
! ############### c13noe.3454 folded +
assi (attr store1 < 2.303 and attr store1 > 2.203 )
     ((attr store1 < 4.428 and attr store1 > 4.368 ) and 
      (bondedto (attr store1 < 110.415109131  and attr store1 > 109.615109131 ) or 
       bondedto (attr store1 < 62.691  and attr store1 > 61.891 ) or 
       bondedto (attr store1 < 14.9668908686  and attr store1 > 14.1668908686 ))) 
6 0.1 0.1 peak 3454 volume 14.29115 ppm1 4.398 ppm2 2.253
 
! ############### c13noe.3455 folded -
assi (attr store1 < 8.244 and attr store1 > 8.144 )
     ((attr store1 < 2.994 and attr store1 > 2.934 ) and 
      (bondedto (attr store1 < 86.5680545657  and attr store1 > 85.7680545657 ) or 
       bondedto (attr store1 < 134.292163697  and attr store1 > 133.492163697) or 
       bondedto (attr store1 < 38.8439454343  and attr store1 > 38.0439454343 ))) 
6 0.1 0.1 peak 3455 volume 33.93195 ppm1 2.964 ppm2 8.194
 
! ############### c13noe.3456 folded -
assi (attr store1 < 8.027 and attr store1 > 7.927 )
     ((attr store1 < 2.99 and attr store1 > 2.93 ) and 
      (bondedto (attr store1 < 86.5580545657  and attr store1 > 85.7580545657 ) or 
       bondedto (attr store1 < 134.282163697  and attr store1 > 133.482163697) or 
       bondedto (attr store1 < 38.8339454343  and attr store1 > 38.0339454343 ))) 
6 0.1 0.1 peak 3456 volume 25.81712 ppm1 2.960 ppm2 7.977
 
! ############### c13noe.3457 folded -
assi (attr store1 < 7.766 and attr store1 > 7.666 )
     ((attr store1 < 2.993 and attr store1 > 2.933 ) and 
      (bondedto (attr store1 < 86.5660545657  and attr store1 > 85.7660545657 ) or 
       bondedto (attr store1 < 134.290163697  and attr store1 > 133.490163697) or 
       bondedto (attr store1 < 38.8419454343  and attr store1 > 38.0419454343 ))) 
6 0.1 0.1 peak 3457 volume 18.16867 ppm1 2.963 ppm2 7.716
 
! ############### c13noe.3458 folded -
assi (attr store1 < 7.027 and attr store1 > 6.927 )
     ((attr store1 < 2.993 and attr store1 > 2.933 ) and 
      (bondedto (attr store1 < 86.5630545657  and attr store1 > 85.7630545657 ) or 
       bondedto (attr store1 < 134.287163697  and attr store1 > 133.487163697) or 
       bondedto (attr store1 < 38.8389454343  and attr store1 > 38.0389454343 ))) 
6 0.1 0.1 peak 3458 volume 16.65636 ppm1 2.963 ppm2 6.977
 
! ############### c13noe.3459 folded -
assi (attr store1 < 4.581 and attr store1 > 4.481 )
     ((attr store1 < 2.994 and attr store1 > 2.934 ) and 
      (bondedto (attr store1 < 86.5660545657  and attr store1 > 85.7660545657 ) or 
       bondedto (attr store1 < 134.290163697  and attr store1 > 133.490163697) or 
       bondedto (attr store1 < 38.8419454343  and attr store1 > 38.0419454343 ))) 
6 0.1 0.1 peak 3459 volume 39.26104 ppm1 2.964 ppm2 4.531
 
! ############### c13noe.3460 folded -
assi (attr store1 < 1.58 and attr store1 > 1.48 )
     ((attr store1 < 2.995 and attr store1 > 2.935 ) and 
      (bondedto (attr store1 < 86.5710545657  and attr store1 > 85.7710545657 ) or 
       bondedto (attr store1 < 134.295163697  and attr store1 > 133.495163697) or 
       bondedto (attr store1 < 38.8469454343  and attr store1 > 38.0469454343 ))) 
6 0.1 0.1 peak 3460 volume 9.5209 ppm1 2.965 ppm2 1.530
 
! ############### c13noe.3461 folded -
assi (attr store1 < 0.962 and attr store1 > 0.862 )
     ((attr store1 < 2.991 and attr store1 > 2.931 ) and 
      (bondedto (attr store1 < 86.5440545657  and attr store1 > 85.7440545657 ) or 
       bondedto (attr store1 < 134.268163697  and attr store1 > 133.468163697) or 
       bondedto (attr store1 < 38.8199454343  and attr store1 > 38.0199454343 ))) 
6 0.1 0.1 peak 3461 volume 20.27028 ppm1 2.961 ppm2 0.912
 
! ############### c13noe.3462 folded -
assi (attr store1 < 2.014 and attr store1 > 1.914 )
     ((attr store1 < 2.361 and attr store1 > 2.301 ) and 
      (bondedto (attr store1 < 86.5600545657  and attr store1 > 85.7600545657 ) or 
       bondedto (attr store1 < 134.284163697  and attr store1 > 133.484163697) or 
       bondedto (attr store1 < 38.8359454343  and attr store1 > 38.0359454343 ))) 
6 0.1 0.1 peak 3462 volume 8.83116 ppm1 2.331 ppm2 1.964
 
! ############### c13noe.3463 folded -
assi (attr store1 < 2.366 and attr store1 > 2.266 )
     ((attr store1 < 1.994 and attr store1 > 1.934 ) and 
      (bondedto (attr store1 < 86.5630545657  and attr store1 > 85.7630545657 ) or 
       bondedto (attr store1 < 134.287163697  and attr store1 > 133.487163697) or 
       bondedto (attr store1 < 38.8389454343  and attr store1 > 38.0389454343 ))) 
6 0.1 0.1 peak 3463 volume 13.6098 ppm1 1.964 ppm2 2.316
 
! ############### c13noe.3464 folded -
assi (attr store1 < 2.358 and attr store1 > 2.258 )
     ((attr store1 < 1.953 and attr store1 > 1.893 ) and 
      (bondedto (attr store1 < 86.5400545657  and attr store1 > 85.7400545657 ) or 
       bondedto (attr store1 < 134.264163697  and attr store1 > 133.464163697) or 
       bondedto (attr store1 < 38.8159454343  and attr store1 > 38.0159454343 ))) 
6 0.1 0.1 peak 3464 volume 8.29656 ppm1 1.923 ppm2 2.308
 
! ############### c13noe.3465 folded +
assi (attr store1 < 0.652 and attr store1 > 0.552 )
     ((attr store1 < 1.45 and attr store1 > 1.39 ) and 
      (bondedto (attr store1 < 110.325109131  and attr store1 > 109.525109131 ) or 
       bondedto (attr store1 < 62.601  and attr store1 > 61.801 ) or 
       bondedto (attr store1 < 14.8768908686  and attr store1 > 14.0768908686 ))) 
6 0.1 0.1 peak 3465 volume 19.73857 ppm1 1.420 ppm2 0.602
 
! ############### c13noe.3466 folded +
assi (attr store1 < 0.654 and attr store1 > 0.554 )
     ((attr store1 < 1.103 and attr store1 > 1.043 ) and 
      (bondedto (attr store1 < 110.320109131  and attr store1 > 109.520109131 ) or 
       bondedto (attr store1 < 62.596  and attr store1 > 61.796 ) or 
       bondedto (attr store1 < 14.8718908686  and attr store1 > 14.0718908686 ))) 
6 0.1 0.1 peak 3466 volume 16.89314 ppm1 1.073 ppm2 0.604
 
! ############### c13noe.3467 folded +
assi (attr store1 < 7.973 and attr store1 > 7.873 )
     ((attr store1 < 0.635 and attr store1 > 0.575 ) and 
      (bondedto (attr store1 < 110.314109131  and attr store1 > 109.514109131 ) or 
       bondedto (attr store1 < 62.59  and attr store1 > 61.79 ) or 
       bondedto (attr store1 < 14.8658908686  and attr store1 > 14.0658908686 ))) 
6 0.1 0.1 peak 3467 volume 13.06517 ppm1 0.605 ppm2 7.923
 
! ############### c13noe.3468 folded +
assi (attr store1 < 6.788 and attr store1 > 6.688 )
     ((attr store1 < 0.635 and attr store1 > 0.575 ) and 
      (bondedto (attr store1 < 110.274109131  and attr store1 > 109.474109131 ) or 
       bondedto (attr store1 < 62.55  and attr store1 > 61.75 ) or 
       bondedto (attr store1 < 14.8258908686  and attr store1 > 14.0258908686 ))) 
6 0.1 0.1 peak 3468 volume 9.81981 ppm1 0.605 ppm2 6.738
 
! ############### c13noe.3469 folded +
assi (attr store1 < 4.087 and attr store1 > 3.987 )
     ((attr store1 < 0.634 and attr store1 > 0.574 ) and 
      (bondedto (attr store1 < 110.312109131  and attr store1 > 109.512109131 ) or 
       bondedto (attr store1 < 62.588  and attr store1 > 61.788 ) or 
       bondedto (attr store1 < 14.8638908686  and attr store1 > 14.0638908686 ))) 
6 0.1 0.1 peak 3469 volume 27.54051 ppm1 0.604 ppm2 4.037
 
! ############### c13noe.3470 folded +
assi (attr store1 < 3.997 and attr store1 > 3.897 )
     ((attr store1 < 0.634 and attr store1 > 0.574 ) and 
      (bondedto (attr store1 < 110.321109131  and attr store1 > 109.521109131 ) or 
       bondedto (attr store1 < 62.597  and attr store1 > 61.797 ) or 
       bondedto (attr store1 < 14.8728908686  and attr store1 > 14.0728908686 ))) 
6 0.1 0.1 peak 3470 volume 29.59083 ppm1 0.604 ppm2 3.947
 
! ############### c13noe.3471 folded +
assi (attr store1 < 3.297 and attr store1 > 3.197 )
     ((attr store1 < 0.635 and attr store1 > 0.575 ) and 
      (bondedto (attr store1 < 110.311109131  and attr store1 > 109.511109131 ) or 
       bondedto (attr store1 < 62.587  and attr store1 > 61.787 ) or 
       bondedto (attr store1 < 14.8628908686  and attr store1 > 14.0628908686 ))) 
6 0.1 0.1 peak 3471 volume 7.45474 ppm1 0.605 ppm2 3.247
 
! ############### c13noe.3472 folded +
assi (attr store1 < 3.056 and attr store1 > 2.956 )
     ((attr store1 < 0.634 and attr store1 > 0.574 ) and 
      (bondedto (attr store1 < 110.292109131  and attr store1 > 109.492109131 ) or 
       bondedto (attr store1 < 62.568  and attr store1 > 61.768 ) or 
       bondedto (attr store1 < 14.8438908686  and attr store1 > 14.0438908686 ))) 
6 0.1 0.1 peak 3472 volume 13.19685 ppm1 0.604 ppm2 3.006
 
! ############### c13noe.3473 folded +
assi (attr store1 < 6.897 and attr store1 > 6.797 )
     ((attr store1 < 0.631 and attr store1 > 0.571 ) and 
      (bondedto (attr store1 < 110.318109131  and attr store1 > 109.518109131 ) or 
       bondedto (attr store1 < 62.594  and attr store1 > 61.794 ) or 
       bondedto (attr store1 < 14.8698908686  and attr store1 > 14.0698908686 ))) 
6 0.1 0.1 peak 3473 volume 15.08201 ppm1 0.601 ppm2 6.847
 
! ############### c13noe.3474 folded +
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 0.631 and attr store1 > 0.571 ) and 
      (bondedto (attr store1 < 110.318109131  and attr store1 > 109.518109131 ) or 
       bondedto (attr store1 < 62.594  and attr store1 > 61.794 ) or 
       bondedto (attr store1 < 14.8698908686  and attr store1 > 14.0698908686 ))) 
6 0.1 0.1 peak 3474 volume 15.87106 ppm1 0.601 ppm2 4.688
 
! ############### c13noe.3475 folded -
assi (attr store1 < 2.576 and attr store1 > 2.476 )
     ((attr store1 < 2.954 and attr store1 > 2.894 ) and 
      (bondedto (attr store1 < 86.4590545657  and attr store1 > 85.6590545657 ) or 
       bondedto (attr store1 < 134.183163697  and attr store1 > 133.383163697) or 
       bondedto (attr store1 < 38.7349454343  and attr store1 > 37.9349454343 ))) 
6 0.1 0.1 peak 3475 volume 9.00931 ppm1 2.924 ppm2 2.526
 
! ############### c13noe.3476 folded -
assi (attr store1 < 2.563 and attr store1 > 2.463 )
     ((attr store1 < 2.932 and attr store1 > 2.872 ) and 
      (bondedto (attr store1 < 86.4420545657  and attr store1 > 85.6420545657 ) or 
       bondedto (attr store1 < 134.166163697  and attr store1 > 133.366163697) or 
       bondedto (attr store1 < 38.7179454343  and attr store1 > 37.9179454343 ))) 
6 0.1 0.1 peak 3476 volume 10.07647 ppm1 2.902 ppm2 2.513
 
! ############### c13noe.3477 folded -
assi (attr store1 < 0.96 and attr store1 > 0.86 )
     ((attr store1 < 2.922 and attr store1 > 2.862 ) and 
      (bondedto (attr store1 < 86.4690545657  and attr store1 > 85.6690545657 ) or 
       bondedto (attr store1 < 134.193163697  and attr store1 > 133.393163697) or 
       bondedto (attr store1 < 38.7449454343  and attr store1 > 37.9449454343 ))) 
6 0.1 0.1 peak 3477 volume 14.32734 ppm1 2.892 ppm2 0.910
 
! ############### c13noe.3478 folded -
assi (attr store1 < 2.944 and attr store1 > 2.844 )
     ((attr store1 < 2.552 and attr store1 > 2.492 ) and 
      (bondedto (attr store1 < 86.4120545657  and attr store1 > 85.6120545657 ) or 
       bondedto (attr store1 < 134.136163697  and attr store1 > 133.336163697) or 
       bondedto (attr store1 < 38.6879454343  and attr store1 > 37.8879454343 ))) 
6 0.1 0.1 peak 3478 volume 9.90324 ppm1 2.522 ppm2 2.894
 
! ############### c13noe.3479 folded -
assi (attr store1 < 4.726 and attr store1 > 4.626 )
     ((attr store1 < 2.548 and attr store1 > 2.488 ) and 
      (bondedto (attr store1 < 86.4330545657  and attr store1 > 85.6330545657 ) or 
       bondedto (attr store1 < 134.157163697  and attr store1 > 133.357163697) or 
       bondedto (attr store1 < 38.7089454343  and attr store1 > 37.9089454343 ))) 
6 0.1 0.1 peak 3479 volume 12.09412 ppm1 2.518 ppm2 4.676
 
! ############### c13noe.3480 folded -
assi (attr store1 < 0.956 and attr store1 > 0.856 )
     ((attr store1 < 2.54 and attr store1 > 2.48 ) and 
      (bondedto (attr store1 < 86.4390545657  and attr store1 > 85.6390545657 ) or 
       bondedto (attr store1 < 134.163163697  and attr store1 > 133.363163697) or 
       bondedto (attr store1 < 38.7149454343  and attr store1 > 37.9149454343 ))) 
6 0.1 0.1 peak 3480 volume 13.34027 ppm1 2.510 ppm2 0.906
 
! ############### c13noe.3481 folded -
assi (attr store1 < 2.971 and attr store1 > 2.871 )
     ((attr store1 < 2.531 and attr store1 > 2.471 ) and 
      (bondedto (attr store1 < 86.4520545657  and attr store1 > 85.6520545657 ) or 
       bondedto (attr store1 < 134.176163697  and attr store1 > 133.376163697) or 
       bondedto (attr store1 < 38.7279454343  and attr store1 > 37.9279454343 ))) 
6 0.1 0.1 peak 3481 volume 8.26858 ppm1 2.501 ppm2 2.921
 
! ############### c13noe.3482 folded -
assi (attr store1 < 3.983 and attr store1 > 3.883 )
     ((attr store1 < 2.079 and attr store1 > 2.019 ) and 
      (bondedto (attr store1 < 86.4290545657  and attr store1 > 85.6290545657 ) or 
       bondedto (attr store1 < 134.153163697  and attr store1 > 133.353163697) or 
       bondedto (attr store1 < 38.7049454343  and attr store1 > 37.9049454343 ))) 
6 0.1 0.1 peak 3482 volume 11.20153 ppm1 2.049 ppm2 3.933
 
! ############### c13noe.3483 folded -
assi (attr store1 < 0.996 and attr store1 > 0.896 )
     ((attr store1 < 2.08 and attr store1 > 2.02 ) and 
      (bondedto (attr store1 < 86.4350545657  and attr store1 > 85.6350545657 ) or 
       bondedto (attr store1 < 134.159163697  and attr store1 > 133.359163697) or 
       bondedto (attr store1 < 38.7109454343  and attr store1 > 37.9109454343 ))) 
6 0.1 0.1 peak 3483 volume 43.05201 ppm1 2.050 ppm2 0.946
 
! ############### c13noe.3484 folded -
assi (attr store1 < 8.883 and attr store1 > 8.783 )
     ((attr store1 < 2.077 and attr store1 > 2.017 ) and 
      (bondedto (attr store1 < 86.4050545657  and attr store1 > 85.6050545657 ) or 
       bondedto (attr store1 < 134.129163697  and attr store1 > 133.329163697) or 
       bondedto (attr store1 < 38.6809454343  and attr store1 > 37.8809454343 ))) 
6 0.1 0.1 peak 3484 volume 9.47568 ppm1 2.047 ppm2 8.833
 
! ############### c13noe.3485 folded -
assi (attr store1 < 8.408 and attr store1 > 8.308 )
     ((attr store1 < 2.075 and attr store1 > 2.015 ) and 
      (bondedto (attr store1 < 86.4190545657  and attr store1 > 85.6190545657 ) or 
       bondedto (attr store1 < 134.143163697  and attr store1 > 133.343163697) or 
       bondedto (attr store1 < 38.6949454343  and attr store1 > 37.8949454343 ))) 
6 0.1 0.1 peak 3485 volume 8.90619 ppm1 2.045 ppm2 8.358
 
! ############### c13noe.3486 folded -
assi (attr store1 < 8.702 and attr store1 > 8.602 )
     ((attr store1 < 1.987 and attr store1 > 1.927 ) and 
      (bondedto (attr store1 < 86.4790545657  and attr store1 > 85.6790545657 ) or 
       bondedto (attr store1 < 134.203163697  and attr store1 > 133.403163697) or 
       bondedto (attr store1 < 38.7549454343  and attr store1 > 37.9549454343 ))) 
6 0.1 0.1 peak 3486 volume 11.05229 ppm1 1.957 ppm2 8.652
 
! ############### c13noe.3487 folded -
assi (attr store1 < 1.245 and attr store1 > 1.145 )
     ((attr store1 < 1.485 and attr store1 > 1.425 ) and 
      (bondedto (attr store1 < 86.4830545657  and attr store1 > 85.6830545657 ) or 
       bondedto (attr store1 < 134.207163697  and attr store1 > 133.407163697) or 
       bondedto (attr store1 < 38.7589454343  and attr store1 > 37.9589454343 ))) 
6 0.1 0.1 peak 3487 volume 15.18275 ppm1 1.455 ppm2 1.195
 
! ############### c13noe.3488 folded -
assi (attr store1 < 1.505 and attr store1 > 1.405 )
     ((attr store1 < 1.223 and attr store1 > 1.163 ) and 
      (bondedto (attr store1 < 86.4660545657  and attr store1 > 85.6660545657 ) or 
       bondedto (attr store1 < 134.190163697  and attr store1 > 133.390163697) or 
       bondedto (attr store1 < 38.7419454343  and attr store1 > 37.9419454343 ))) 
6 0.1 0.1 peak 3488 volume 14.88629 ppm1 1.193 ppm2 1.455
 
! ############### c13noe.3489 folded +
assi (attr store1 < 2.676 and attr store1 > 2.576 )
     ((attr store1 < 4.187 and attr store1 > 4.127 ) and 
      (bondedto (attr store1 < 110.199109131  and attr store1 > 109.399109131 ) or 
       bondedto (attr store1 < 62.475  and attr store1 > 61.675 ) or 
       bondedto (attr store1 < 14.7508908686  and attr store1 > 13.9508908686 ))) 
6 0.1 0.1 peak 3489 volume 11.10129 ppm1 4.157 ppm2 2.626
 
! ############### c13noe.3490 folded +
assi (attr store1 < 8.753 and attr store1 > 8.653 )
     ((attr store1 < 4.293 and attr store1 > 4.233 ) and 
      (bondedto (attr store1 < 110.109109131  and attr store1 > 109.309109131 ) or 
       bondedto (attr store1 < 62.385  and attr store1 > 61.585 ) or 
       bondedto (attr store1 < 14.6608908686  and attr store1 > 13.8608908686 ))) 
6 0.1 0.1 peak 3490 volume 7.77060 ppm1 4.263 ppm2 8.703
 
! ############### c13noe.3491 folded +
assi (attr store1 < 8.37 and attr store1 > 8.27 )
     ((attr store1 < 4.293 and attr store1 > 4.233 ) and 
      (bondedto (attr store1 < 110.133109131  and attr store1 > 109.333109131 ) or 
       bondedto (attr store1 < 62.409  and attr store1 > 61.609 ) or 
       bondedto (attr store1 < 14.6848908686  and attr store1 > 13.8848908686 ))) 
6 0.1 0.1 peak 3491 volume 12.01636 ppm1 4.263 ppm2 8.320
 
! ############### c13noe.3492 folded +
assi (attr store1 < 1.649 and attr store1 > 1.549 )
     ((attr store1 < 4.295 and attr store1 > 4.235 ) and 
      (bondedto (attr store1 < 110.102109131  and attr store1 > 109.302109131 ) or 
       bondedto (attr store1 < 62.378  and attr store1 > 61.578 ) or 
       bondedto (attr store1 < 14.6538908686  and attr store1 > 13.8538908686 ))) 
6 0.1 0.1 peak 3492 volume 25.83646 ppm1 4.265 ppm2 1.599
 
! ############### c13noe.3493 folded +
assi (attr store1 < 8.231 and attr store1 > 8.131 )
     ((attr store1 < 4.2 and attr store1 > 4.14 ) and 
      (bondedto (attr store1 < 110.167109131  and attr store1 > 109.367109131 ) or 
       bondedto (attr store1 < 62.443  and attr store1 > 61.643 ) or 
       bondedto (attr store1 < 14.7188908686  and attr store1 > 13.9188908686 ))) 
6 0.1 0.1 peak 3493 volume 9.62292 ppm1 4.170 ppm2 8.181
 
! ############### c13noe.3494 folded +
assi (attr store1 < 2.459 and attr store1 > 2.359 )
     ((attr store1 < 4.193 and attr store1 > 4.133 ) and 
      (bondedto (attr store1 < 110.133109131  and attr store1 > 109.333109131 ) or 
       bondedto (attr store1 < 62.409  and attr store1 > 61.609 ) or 
       bondedto (attr store1 < 14.6848908686  and attr store1 > 13.8848908686 ))) 
6 0.1 0.1 peak 3494 volume 20.88577 ppm1 4.163 ppm2 2.409
 
! ############### c13noe.3495 folded +
assi (attr store1 < 2.308 and attr store1 > 2.208 )
     ((attr store1 < 4.189 and attr store1 > 4.129 ) and 
      (bondedto (attr store1 < 110.140109131  and attr store1 > 109.340109131 ) or 
       bondedto (attr store1 < 62.416  and attr store1 > 61.616 ) or 
       bondedto (attr store1 < 14.6918908686  and attr store1 > 13.8918908686 ))) 
6 0.1 0.1 peak 3495 volume 35.92894 ppm1 4.159 ppm2 2.258
 
! ############### c13noe.3496 folded +
assi (attr store1 < 1.854 and attr store1 > 1.754 )
     ((attr store1 < 4.187 and attr store1 > 4.127 ) and 
      (bondedto (attr store1 < 110.095109131  and attr store1 > 109.295109131 ) or 
       bondedto (attr store1 < 62.371  and attr store1 > 61.571 ) or 
       bondedto (attr store1 < 14.6468908686  and attr store1 > 13.8468908686 ))) 
6 0.1 0.1 peak 3496 volume 11.59986 ppm1 4.157 ppm2 1.804
 
! ############### c13noe.3497 folded +
assi (attr store1 < 1.747 and attr store1 > 1.647 )
     ((attr store1 < 4.182 and attr store1 > 4.122 ) and 
      (bondedto (attr store1 < 110.083109131  and attr store1 > 109.283109131 ) or 
       bondedto (attr store1 < 62.359  and attr store1 > 61.559 ) or 
       bondedto (attr store1 < 14.6348908686  and attr store1 > 13.8348908686 ))) 
6 0.1 0.1 peak 3497 volume 9.42820 ppm1 4.152 ppm2 1.697
 
! ############### c13noe.3498 folded -
assi (attr store1 < 0.817 and attr store1 > 0.717 )
     ((attr store1 < 1.948 and attr store1 > 1.888 ) and 
      (bondedto (attr store1 < 86.2550545657  and attr store1 > 85.4550545657 ) or 
       bondedto (attr store1 < 133.979163697  and attr store1 > 133.179163697) or 
       bondedto (attr store1 < 38.5309454343  and attr store1 > 37.7309454343 ))) 
6 0.1 0.1 peak 3498 volume 32.85348 ppm1 1.918 ppm2 0.767
 
! ############### c13noe.3499 folded -
assi (attr store1 < 8.842 and attr store1 > 8.742 )
     ((attr store1 < 1.943 and attr store1 > 1.883 ) and 
      (bondedto (attr store1 < 86.2520545657  and attr store1 > 85.4520545657 ) or 
       bondedto (attr store1 < 133.976163697  and attr store1 > 133.176163697) or 
       bondedto (attr store1 < 38.5279454343  and attr store1 > 37.7279454343 ))) 
6 0.1 0.1 peak 3499 volume 7.63355 ppm1 1.913 ppm2 8.792
 
! ############### c13noe.3500 folded -
assi (attr store1 < 7.808 and attr store1 > 7.708 )
     ((attr store1 < 1.945 and attr store1 > 1.885 ) and 
      (bondedto (attr store1 < 86.2750545657  and attr store1 > 85.4750545657 ) or 
       bondedto (attr store1 < 133.999163697  and attr store1 > 133.199163697) or 
       bondedto (attr store1 < 38.5509454343  and attr store1 > 37.7509454343 ))) 
6 0.1 0.1 peak 3500 volume 11.74714 ppm1 1.915 ppm2 7.758
 
! ############### c13noe.3501 folded +
assi (attr store1 < 2.985 and attr store1 > 2.885 )
     ((attr store1 < 2.802 and attr store1 > 2.742 ) and 
      (bondedto (attr store1 < 110.028109131  and attr store1 > 109.228109131 ) or 
       bondedto (attr store1 < 62.304  and attr store1 > 61.504 ) or 
       bondedto (attr store1 < 14.5798908686  and attr store1 > 13.7798908686 ))) 
6 0.1 0.1 peak 3501 volume 16.30052 ppm1 2.772 ppm2 2.935
 
! ############### c13noe.3502 folded +
assi (attr store1 < 2.01 and attr store1 > 1.91 )
     ((attr store1 < 2.35 and attr store1 > 2.29 ) and 
      (bondedto (attr store1 < 110.007109131  and attr store1 > 109.207109131 ) or 
       bondedto (attr store1 < 62.283  and attr store1 > 61.483 ) or 
       bondedto (attr store1 < 14.5588908686  and attr store1 > 13.7588908686 ))) 
6 0.1 0.1 peak 3502 volume 10.24751 ppm1 2.320 ppm2 1.960
 
! ############### c13noe.3503 folded +
assi (attr store1 < 0.92 and attr store1 > 0.82 )
     ((attr store1 < 1.487 and attr store1 > 1.427 ) and 
      (bondedto (attr store1 < 109.996109131  and attr store1 > 109.196109131 ) or 
       bondedto (attr store1 < 62.272  and attr store1 > 61.472 ) or 
       bondedto (attr store1 < 14.5478908686  and attr store1 > 13.7478908686 ))) 
6 0.1 0.1 peak 3503 volume 20.38356 ppm1 1.457 ppm2 0.870
 
! ############### c13noe.3504 folded +
assi (attr store1 < 7.813 and attr store1 > 7.713 )
     ((attr store1 < 0.871 and attr store1 > 0.811 ) and 
      (bondedto (attr store1 < 110.017109131  and attr store1 > 109.217109131 ) or 
       bondedto (attr store1 < 62.293  and attr store1 > 61.493 ) or 
       bondedto (attr store1 < 14.5688908686  and attr store1 > 13.7688908686 ))) 
6 0.1 0.1 peak 3504 volume 8.13311 ppm1 0.841 ppm2 7.763
 
! ############### c13noe.3505 folded +
assi (attr store1 < 4.057 and attr store1 > 3.957 )
     ((attr store1 < 0.87 and attr store1 > 0.81 ) and 
      (bondedto (attr store1 < 110.003109131  and attr store1 > 109.203109131 ) or 
       bondedto (attr store1 < 62.279  and attr store1 > 61.479 ) or 
       bondedto (attr store1 < 14.5548908686  and attr store1 > 13.7548908686 ))) 
6 0.1 0.1 peak 3505 volume 11.72373 ppm1 0.840 ppm2 4.007
 
! ############### c13noe.3506 folded +
assi (attr store1 < 3.953 and attr store1 > 3.853 )
     ((attr store1 < 0.87 and attr store1 > 0.81 ) and 
      (bondedto (attr store1 < 110.002109131  and attr store1 > 109.202109131 ) or 
       bondedto (attr store1 < 62.278  and attr store1 > 61.478 ) or 
       bondedto (attr store1 < 14.5538908686  and attr store1 > 13.7538908686 ))) 
6 0.1 0.1 peak 3506 volume 21.08386 ppm1 0.840 ppm2 3.903
 
! ############### c13noe.3507 folded +
assi (attr store1 < 3.804 and attr store1 > 3.704 )
     ((attr store1 < 0.87 and attr store1 > 0.81 ) and 
      (bondedto (attr store1 < 110.016109131  and attr store1 > 109.216109131 ) or 
       bondedto (attr store1 < 62.292  and attr store1 > 61.492 ) or 
       bondedto (attr store1 < 14.5678908686  and attr store1 > 13.7678908686 ))) 
6 0.1 0.1 peak 3507 volume 27.41507 ppm1 0.840 ppm2 3.754
 
! ############### c13noe.3508 folded +
assi (attr store1 < 3.443 and attr store1 > 3.343 )
     ((attr store1 < 0.87 and attr store1 > 0.81 ) and 
      (bondedto (attr store1 < 109.996109131  and attr store1 > 109.196109131 ) or 
       bondedto (attr store1 < 62.272  and attr store1 > 61.472 ) or 
       bondedto (attr store1 < 14.5478908686  and attr store1 > 13.7478908686 ))) 
6 0.1 0.1 peak 3508 volume 11.60745 ppm1 0.840 ppm2 3.393
 
! ############### c13noe.3509 folded +
assi (attr store1 < 8.499 and attr store1 > 8.399 )
     ((attr store1 < 0.867 and attr store1 > 0.807 ) and 
      (bondedto (attr store1 < 110.017109131  and attr store1 > 109.217109131 ) or 
       bondedto (attr store1 < 62.293  and attr store1 > 61.493 ) or 
       bondedto (attr store1 < 14.5688908686  and attr store1 > 13.7688908686 ))) 
6 0.1 0.1 peak 3509 volume 10.03678 ppm1 0.837 ppm2 8.449
 
! ############### c13noe.3510 folded +
assi (attr store1 < 8.416 and attr store1 > 8.316 )
     ((attr store1 < 0.869 and attr store1 > 0.809 ) and 
      (bondedto (attr store1 < 110.009109131  and attr store1 > 109.209109131 ) or 
       bondedto (attr store1 < 62.285  and attr store1 > 61.485 ) or 
       bondedto (attr store1 < 14.5608908686  and attr store1 > 13.7608908686 ))) 
6 0.1 0.1 peak 3510 volume 18.52281 ppm1 0.839 ppm2 8.366
 
! ############### c13noe.3511 folded +
assi (attr store1 < 8.366 and attr store1 > 8.266 )
     ((attr store1 < 4.188 and attr store1 > 4.128 ) and 
      (bondedto (attr store1 < 109.894109131  and attr store1 > 109.094109131 ) or 
       bondedto (attr store1 < 62.17  and attr store1 > 61.37 ) or 
       bondedto (attr store1 < 14.4458908686  and attr store1 > 13.6458908686 ))) 
6 0.1 0.1 peak 3511 volume 46.85382 ppm1 4.158 ppm2 8.316
 
! ############### c13noe.3512 folded +
assi (attr store1 < 4.739 and attr store1 > 4.639 )
     ((attr store1 < 4.189 and attr store1 > 4.129 ) and 
      (bondedto (attr store1 < 109.930109131  and attr store1 > 109.130109131 ) or 
       bondedto (attr store1 < 62.206  and attr store1 > 61.406 ) or 
       bondedto (attr store1 < 14.4818908686  and attr store1 > 13.6818908686 ))) 
6 0.1 0.1 peak 3512 volume 28.40859 ppm1 4.159 ppm2 4.689
 
! ############### c13noe.3513 folded +
assi (attr store1 < 1.494 and attr store1 > 1.394 )
     ((attr store1 < 4.189 and attr store1 > 4.129 ) and 
      (bondedto (attr store1 < 109.905109131  and attr store1 > 109.105109131 ) or 
       bondedto (attr store1 < 62.181  and attr store1 > 61.381 ) or 
       bondedto (attr store1 < 14.4568908686  and attr store1 > 13.6568908686 ))) 
6 0.1 0.1 peak 3513 volume 20.55742 ppm1 4.159 ppm2 1.444
 
! ############### c13noe.3514 folded +
assi (attr store1 < 2.008 and attr store1 > 1.908 )
     ((attr store1 < 2.338 and attr store1 > 2.278 ) and 
      (bondedto (attr store1 < 109.951109131  and attr store1 > 109.151109131 ) or 
       bondedto (attr store1 < 62.227  and attr store1 > 61.427 ) or 
       bondedto (attr store1 < 14.5028908686  and attr store1 > 13.7028908686 ))) 
6 0.1 0.1 peak 3514 volume 9.79379 ppm1 2.308 ppm2 1.958
 
! ############### c13noe.3515 folded +
assi (attr store1 < 2.366 and attr store1 > 2.266 )
     ((attr store1 < 1.985 and attr store1 > 1.925 ) and 
      (bondedto (attr store1 < 109.943109131  and attr store1 > 109.143109131 ) or 
       bondedto (attr store1 < 62.219  and attr store1 > 61.419 ) or 
       bondedto (attr store1 < 14.4948908686  and attr store1 > 13.6948908686 ))) 
6 0.1 0.1 peak 3515 volume 8.31265 ppm1 1.955 ppm2 2.316
 
! ############### c13noe.3516 folded +
assi (attr store1 < 0.892 and attr store1 > 0.792 )
     ((attr store1 < 1.272 and attr store1 > 1.212 ) and 
      (bondedto (attr store1 < 109.955109131  and attr store1 > 109.155109131 ) or 
       bondedto (attr store1 < 62.231  and attr store1 > 61.431 ) or 
       bondedto (attr store1 < 14.5068908686  and attr store1 > 13.7068908686 ))) 
6 0.1 0.1 peak 3516 volume 13.70260 ppm1 1.242 ppm2 0.842
 
! ############### c13noe.3517 folded +
assi (attr store1 < 0.925 and attr store1 > 0.825 )
     ((attr store1 < 1.234 and attr store1 > 1.174 ) and 
      (bondedto (attr store1 < 109.903109131  and attr store1 > 109.103109131 ) or 
       bondedto (attr store1 < 62.179  and attr store1 > 61.379 ) or 
       bondedto (attr store1 < 14.4548908686  and attr store1 > 13.6548908686 ))) 
6 0.1 0.1 peak 3517 volume 20.85017 ppm1 1.204 ppm2 0.875
 
! ############### c13noe.3518 folded -
assi (attr store1 < 3.002 and attr store1 > 2.902 )
     ((attr store1 < 3.28 and attr store1 > 3.22 ) and 
      (bondedto (attr store1 < 86.0560545657  and attr store1 > 85.2560545657 ) or 
       bondedto (attr store1 < 133.780163697  and attr store1 > 132.980163697) or 
       bondedto (attr store1 < 38.3319454343  and attr store1 > 37.5319454343 ))) 
6 0.1 0.1 peak 3518 volume 10.46957 ppm1 3.250 ppm2 2.952
 
! ############### c13noe.3519 folded +
assi (attr store1 < 8.1 and attr store1 > 8.0 )
     ((attr store1 < 4.188 and attr store1 > 4.128 ) and 
      (bondedto (attr store1 < 109.876109131  and attr store1 > 109.076109131 ) or 
       bondedto (attr store1 < 62.152  and attr store1 > 61.352 ) or 
       bondedto (attr store1 < 14.4278908686  and attr store1 > 13.6278908686 ))) 
6 0.1 0.1 peak 3519 volume 21.48881 ppm1 4.158 ppm2 8.050
 
! ############### c13noe.3520 folded +
assi (attr store1 < 1.263 and attr store1 > 1.163 )
     ((attr store1 < 4.188 and attr store1 > 4.128 ) and 
      (bondedto (attr store1 < 109.877109131  and attr store1 > 109.077109131 ) or 
       bondedto (attr store1 < 62.153  and attr store1 > 61.353 ) or 
       bondedto (attr store1 < 14.4288908686  and attr store1 > 13.6288908686 ))) 
6 0.1 0.1 peak 3520 volume 22.30050 ppm1 4.158 ppm2 1.213
 
! ############### c13noe.3521 folded +
assi (attr store1 < 1.938 and attr store1 > 1.838 )
     ((attr store1 < 4.187 and attr store1 > 4.127 ) and 
      (bondedto (attr store1 < 109.872109131  and attr store1 > 109.072109131 ) or 
       bondedto (attr store1 < 62.148  and attr store1 > 61.348 ) or 
       bondedto (attr store1 < 14.4238908686  and attr store1 > 13.6238908686 ))) 
6 0.1 0.1 peak 3521 volume 60.75945 ppm1 4.157 ppm2 1.888
 
! ############### c13noe.3522 folded +
assi (attr store1 < 0.968 and attr store1 > 0.868 )
     ((attr store1 < 4.187 and attr store1 > 4.127 ) and 
      (bondedto (attr store1 < 109.880109131  and attr store1 > 109.080109131 ) or 
       bondedto (attr store1 < 62.156  and attr store1 > 61.356 ) or 
       bondedto (attr store1 < 14.4318908686  and attr store1 > 13.6318908686 ))) 
6 0.1 0.1 peak 3522 volume 74.88465 ppm1 4.157 ppm2 0.918
 
! ############### c13noe.3523 folded +
assi (attr store1 < 4.214 and attr store1 > 4.114 )
     ((attr store1 < 1.921 and attr store1 > 1.861 ) and 
      (bondedto (attr store1 < 109.861109131  and attr store1 > 109.061109131 ) or 
       bondedto (attr store1 < 62.137  and attr store1 > 61.337 ) or 
       bondedto (attr store1 < 14.4128908686  and attr store1 > 13.6128908686 ))) 
6 0.1 0.1 peak 3523 volume 27.60841 ppm1 1.891 ppm2 4.164
 
! ############### c13noe.3524 folded +
assi (attr store1 < 1.246 and attr store1 > 1.146 )
     ((attr store1 < 1.482 and attr store1 > 1.422 ) and 
      (bondedto (attr store1 < 109.873109131  and attr store1 > 109.073109131 ) or 
       bondedto (attr store1 < 62.149  and attr store1 > 61.349 ) or 
       bondedto (attr store1 < 14.4248908686  and attr store1 > 13.6248908686 ))) 
6 0.1 0.1 peak 3524 volume 18.44137 ppm1 1.452 ppm2 1.196
 
! ############### c13noe.3525 folded +
assi (attr store1 < 1.503 and attr store1 > 1.403 )
     ((attr store1 < 1.228 and attr store1 > 1.168 ) and 
      (bondedto (attr store1 < 109.867109131  and attr store1 > 109.067109131 ) or 
       bondedto (attr store1 < 62.143  and attr store1 > 61.343 ) or 
       bondedto (attr store1 < 14.4188908686  and attr store1 > 13.6188908686 ))) 
6 0.1 0.1 peak 3525 volume 17.20358 ppm1 1.198 ppm2 1.453
 
! ############### c13noe.3526 folded -
assi (attr store1 < 3.292 and attr store1 > 3.192 )
     ((attr store1 < 2.985 and attr store1 > 2.925 ) and 
      (bondedto (attr store1 < 85.9750545657  and attr store1 > 85.1750545657 ) or 
       bondedto (attr store1 < 133.699163697  and attr store1 > 132.899163697) or 
       bondedto (attr store1 < 38.2509454343  and attr store1 > 37.4509454343 ))) 
6 0.1 0.1 peak 3526 volume 9.44347 ppm1 2.955 ppm2 3.242
 
! ############### c13noe.3527 folded -
assi (attr store1 < 7.67 and attr store1 > 7.57 )
     ((attr store1 < 2.935 and attr store1 > 2.875 ) and 
      (bondedto (attr store1 < 85.8620545657  and attr store1 > 85.0620545657 ) or 
       bondedto (attr store1 < 133.586163697  and attr store1 > 132.786163697) or 
       bondedto (attr store1 < 38.1379454343  and attr store1 > 37.3379454343 ))) 
6 0.1 0.1 peak 3527 volume 7.80127 ppm1 2.905 ppm2 7.620
 
! ############### c13noe.3528 folded -
assi (attr store1 < 0.966 and attr store1 > 0.866 )
     ((attr store1 < 2.932 and attr store1 > 2.872 ) and 
      (bondedto (attr store1 < 85.8640545657  and attr store1 > 85.0640545657 ) or 
       bondedto (attr store1 < 133.588163697  and attr store1 > 132.788163697) or 
       bondedto (attr store1 < 38.1399454343  and attr store1 > 37.3399454343 ))) 
6 0.1 0.1 peak 3528 volume 6.3893 ppm1 2.902 ppm2 0.916
 
! ############### c13noe.3529 folded -
assi (attr store1 < 4.5 and attr store1 > 4.4 )
     ((attr store1 < 2.919 and attr store1 > 2.859 ) and 
      (bondedto (attr store1 < 85.8520545657  and attr store1 > 85.0520545657 ) or 
       bondedto (attr store1 < 133.576163697  and attr store1 > 132.776163697) or 
       bondedto (attr store1 < 38.1279454343  and attr store1 > 37.3279454343 ))) 
6 0.1 0.1 peak 3529 volume 7.26152 ppm1 2.889 ppm2 4.450
 
! ############### c13noe.3530 folded -
assi (attr store1 < 2.643 and attr store1 > 2.543 )
     ((attr store1 < 2.924 and attr store1 > 2.864 ) and 
      (bondedto (attr store1 < 85.8820545657  and attr store1 > 85.0820545657 ) or 
       bondedto (attr store1 < 133.606163697  and attr store1 > 132.806163697) or 
       bondedto (attr store1 < 38.1579454343  and attr store1 > 37.3579454343 ))) 
6 0.1 0.1 peak 3530 volume 19.24068 ppm1 2.894 ppm2 2.593
 
! ############### c13noe.3531 folded -
assi (attr store1 < 0.969 and attr store1 > 0.869 )
     ((attr store1 < 2.634 and attr store1 > 2.574 ) and 
      (bondedto (attr store1 < 85.9020545657  and attr store1 > 85.1020545657 ) or 
       bondedto (attr store1 < 133.626163697  and attr store1 > 132.826163697) or 
       bondedto (attr store1 < 38.1779454343  and attr store1 > 37.3779454343 ))) 
6 0.1 0.1 peak 3531 volume 7.35554 ppm1 2.604 ppm2 0.919
 
! ############### c13noe.3532 folded -
assi (attr store1 < 2.943 and attr store1 > 2.843 )
     ((attr store1 < 2.625 and attr store1 > 2.565 ) and 
      (bondedto (attr store1 < 85.8740545657  and attr store1 > 85.0740545657 ) or 
       bondedto (attr store1 < 133.598163697  and attr store1 > 132.798163697) or 
       bondedto (attr store1 < 38.1499454343  and attr store1 > 37.3499454343 ))) 
6 0.1 0.1 peak 3532 volume 19.43218 ppm1 2.595 ppm2 2.893
 
! ############### c13noe.3533 folded -
assi (attr store1 < 7.67 and attr store1 > 7.57 )
     ((attr store1 < 2.62 and attr store1 > 2.56 ) and 
      (bondedto (attr store1 < 85.8500545657  and attr store1 > 85.0500545657 ) or 
       bondedto (attr store1 < 133.574163697  and attr store1 > 132.774163697) or 
       bondedto (attr store1 < 38.1259454343  and attr store1 > 37.3259454343 ))) 
6 0.1 0.1 peak 3533 volume 8.26079 ppm1 2.590 ppm2 7.620
 
! ############### c13noe.3534 folded -
assi (attr store1 < 4.505 and attr store1 > 4.405 )
     ((attr store1 < 2.621 and attr store1 > 2.561 ) and 
      (bondedto (attr store1 < 85.8950545657  and attr store1 > 85.0950545657 ) or 
       bondedto (attr store1 < 133.619163697  and attr store1 > 132.819163697) or 
       bondedto (attr store1 < 38.1709454343  and attr store1 > 37.3709454343 ))) 
6 0.1 0.1 peak 3534 volume 8.32408 ppm1 2.591 ppm2 4.455
 
! ############### c13noe.3535 folded +
assi (attr store1 < 7.87 and attr store1 > 7.77 )
     ((attr store1 < 4.415 and attr store1 > 4.355 ) and 
      (bondedto (attr store1 < 109.702109131  and attr store1 > 108.902109131 ) or 
       bondedto (attr store1 < 61.978  and attr store1 > 61.178 ) or 
       bondedto (attr store1 < 14.2538908686  and attr store1 > 13.4538908686 ))) 
6 0.1 0.1 peak 3535 volume 16.82852 ppm1 4.385 ppm2 7.820
 
! ############### c13noe.3536 folded +
assi (attr store1 < 7.479 and attr store1 > 7.379 )
     ((attr store1 < 4.414 and attr store1 > 4.354 ) and 
      (bondedto (attr store1 < 109.683109131  and attr store1 > 108.883109131 ) or 
       bondedto (attr store1 < 61.959  and attr store1 > 61.159 ) or 
       bondedto (attr store1 < 14.2348908686  and attr store1 > 13.4348908686 ))) 
6 0.1 0.1 peak 3536 volume 22.55095 ppm1 4.384 ppm2 7.429
 
! ############### c13noe.3537 folded +
assi (attr store1 < 2.511 and attr store1 > 2.411 )
     ((attr store1 < 4.418 and attr store1 > 4.358 ) and 
      (bondedto (attr store1 < 109.670109131  and attr store1 > 108.870109131 ) or 
       bondedto (attr store1 < 61.946  and attr store1 > 61.146 ) or 
       bondedto (attr store1 < 14.2218908686  and attr store1 > 13.4218908686 ))) 
6 0.1 0.1 peak 3537 volume 49.25510 ppm1 4.388 ppm2 2.461
 
! ############### c13noe.3538 folded +
assi (attr store1 < 1.062 and attr store1 > 0.962 )
     ((attr store1 < 4.417 and attr store1 > 4.357 ) and 
      (bondedto (attr store1 < 109.669109131  and attr store1 > 108.869109131 ) or 
       bondedto (attr store1 < 61.945  and attr store1 > 61.145 ) or 
       bondedto (attr store1 < 14.2208908686  and attr store1 > 13.4208908686 ))) 
6 0.1 0.1 peak 3538 volume 48.87692 ppm1 4.387 ppm2 1.012
 
! ############### c13noe.3539 folded +
assi (attr store1 < 3.731 and attr store1 > 3.631 )
     ((attr store1 < 3.863 and attr store1 > 3.803 ) and 
      (bondedto (attr store1 < 109.634109131  and attr store1 > 108.834109131 ) or 
       bondedto (attr store1 < 61.91  and attr store1 > 61.11 ) or 
       bondedto (attr store1 < 14.1858908686  and attr store1 > 13.3858908686 ))) 
6 0.1 0.1 peak 3539 volume 11.26746 ppm1 3.833 ppm2 3.681
 
! ############### c13noe.3540 folded -
assi (attr store1 < 7.668 and attr store1 > 7.568 )
     ((attr store1 < 2.922 and attr store1 > 2.862 ) and 
      (bondedto (attr store1 < 85.8210545657  and attr store1 > 85.0210545657 ) or 
       bondedto (attr store1 < 133.545163697  and attr store1 > 132.745163697) or 
       bondedto (attr store1 < 38.0969454343  and attr store1 > 37.2969454343 ))) 
6 0.1 0.1 peak 3540 volume 8.18307 ppm1 2.892 ppm2 7.618
 
! ############### c13noe.3541 folded +
assi (attr store1 < 3.887 and attr store1 > 3.787 )
     ((attr store1 < 3.703 and attr store1 > 3.643 ) and 
      (bondedto (attr store1 < 109.524109131  and attr store1 > 108.724109131 ) or 
       bondedto (attr store1 < 61.8  and attr store1 > 61.0 ) or 
       bondedto (attr store1 < 14.0758908686  and attr store1 > 13.2758908686 ))) 
6 0.1 0.1 peak 3541 volume 11.19459 ppm1 3.673 ppm2 3.837
 
! ############### c13noe.3542 folded -
assi (attr store1 < 2.366 and attr store1 > 2.266 )
     ((attr store1 < 2.003 and attr store1 > 1.943 ) and 
      (bondedto (attr store1 < 85.7100545657  and attr store1 > 84.9100545657 ) or 
       bondedto (attr store1 < 133.434163697  and attr store1 > 132.634163697) or 
       bondedto (attr store1 < 37.9859454343  and attr store1 > 37.1859454343 ))) 
6 0.1 0.1 peak 3542 volume 12.19797 ppm1 1.973 ppm2 2.316
 
! ############### c13noe.3543 folded +
assi (attr store1 < 3.957 and attr store1 > 3.857 )
     ((attr store1 < 3.881 and attr store1 > 3.821 ) and 
      (bondedto (attr store1 < 109.432109131  and attr store1 > 108.632109131 ) or 
       bondedto (attr store1 < 61.708  and attr store1 > 60.908 ) or 
       bondedto (attr store1 < 13.9838908686  and attr store1 > 13.1838908686 ))) 
6 0.1 0.1 peak 3543 volume 28.72391 ppm1 3.851 ppm2 3.907
 
! ############### c13noe.3544 folded +
assi (attr store1 < 3.212 and attr store1 > 3.112 )
     ((attr store1 < 3.283 and attr store1 > 3.223 ) and 
      (bondedto (attr store1 < 109.433109131  and attr store1 > 108.633109131 ) or 
       bondedto (attr store1 < 61.709  and attr store1 > 60.909 ) or 
       bondedto (attr store1 < 13.9848908686  and attr store1 > 13.1848908686 ))) 
6 0.1 0.1 peak 3544 volume 37.97863 ppm1 3.253 ppm2 3.162
 
! ############### c13noe.3545 folded +
assi (attr store1 < 7.946 and attr store1 > 7.846 )
     ((attr store1 < 0.951 and attr store1 > 0.891 ) and 
      (bondedto (attr store1 < 109.440109131  and attr store1 > 108.640109131 ) or 
       bondedto (attr store1 < 61.716  and attr store1 > 60.916 ) or 
       bondedto (attr store1 < 13.9918908686  and attr store1 > 13.1918908686 ))) 
6 0.1 0.1 peak 3545 volume 24.12114 ppm1 0.921 ppm2 7.896
 
! ############### c13noe.3546 folded +
assi (attr store1 < 7.88 and attr store1 > 7.78 )
     ((attr store1 < 0.949 and attr store1 > 0.889 ) and 
      (bondedto (attr store1 < 109.459109131  and attr store1 > 108.659109131 ) or 
       bondedto (attr store1 < 61.735  and attr store1 > 60.935 ) or 
       bondedto (attr store1 < 14.0108908686  and attr store1 > 13.2108908686 ))) 
6 0.1 0.1 peak 3546 volume 12.92133 ppm1 0.919 ppm2 7.830
 
! ############### c13noe.3547 folded +
assi (attr store1 < 4.245 and attr store1 > 4.145 )
     ((attr store1 < 0.951 and attr store1 > 0.891 ) and 
      (bondedto (attr store1 < 109.429109131  and attr store1 > 108.629109131 ) or 
       bondedto (attr store1 < 61.705  and attr store1 > 60.905 ) or 
       bondedto (attr store1 < 13.9808908686  and attr store1 > 13.1808908686 ))) 
6 0.1 0.1 peak 3547 volume 38.31405 ppm1 0.921 ppm2 4.195
 
! ############### c13noe.3548 folded +
assi (attr store1 < 4.183 and attr store1 > 4.083 )
     ((attr store1 < 0.95 and attr store1 > 0.89 ) and 
      (bondedto (attr store1 < 109.431109131  and attr store1 > 108.631109131 ) or 
       bondedto (attr store1 < 61.707  and attr store1 > 60.907 ) or 
       bondedto (attr store1 < 13.9828908686  and attr store1 > 13.1828908686 ))) 
6 0.1 0.1 peak 3548 volume 35.92833 ppm1 0.920 ppm2 4.133
 
! ############### c13noe.3549 folded -
assi (attr store1 < 2.262 and attr store1 > 2.162 )
     ((attr store1 < 2.526 and attr store1 > 2.466 ) and 
      (bondedto (attr store1 < 85.6370545657  and attr store1 > 84.8370545657 ) or 
       bondedto (attr store1 < 133.361163697  and attr store1 > 132.561163697) or 
       bondedto (attr store1 < 37.9129454343  and attr store1 > 37.1129454343 ))) 
6 0.1 0.1 peak 3549 volume 12.66621 ppm1 2.496 ppm2 2.212
 
! ############### c13noe.3550 folded -
assi (attr store1 < 2.008 and attr store1 > 1.908 )
     ((attr store1 < 2.344 and attr store1 > 2.284 ) and 
      (bondedto (attr store1 < 85.6400545657  and attr store1 > 84.8400545657 ) or 
       bondedto (attr store1 < 133.364163697  and attr store1 > 132.564163697) or 
       bondedto (attr store1 < 37.9159454343  and attr store1 > 37.1159454343 ))) 
6 0.1 0.1 peak 3550 volume 20.08515 ppm1 2.314 ppm2 1.958
 
! ############### c13noe.3551 folded -
assi (attr store1 < 2.356 and attr store1 > 2.256 )
     ((attr store1 < 1.969 and attr store1 > 1.909 ) and 
      (bondedto (attr store1 < 85.6130545657  and attr store1 > 84.8130545657 ) or 
       bondedto (attr store1 < 133.337163697  and attr store1 > 132.537163697) or 
       bondedto (attr store1 < 37.8889454343  and attr store1 > 37.0889454343 ))) 
6 0.1 0.1 peak 3551 volume 15.74605 ppm1 1.939 ppm2 2.306
 
! ############### c13noe.3552 folded +
assi (attr store1 < 4.729 and attr store1 > 4.629 )
     ((attr store1 < 4.296 and attr store1 > 4.236 ) and 
      (bondedto (attr store1 < 109.342109131  and attr store1 > 108.542109131 ) or 
       bondedto (attr store1 < 61.618  and attr store1 > 60.818 ) or 
       bondedto (attr store1 < 13.8938908686  and attr store1 > 13.0938908686 ))) 
6 0.1 0.1 peak 3552 volume 13.35736 ppm1 4.266 ppm2 4.679
 
! ############### c13noe.3553 folded +
assi (attr store1 < 4.569 and attr store1 > 4.469 )
     ((attr store1 < 4.296 and attr store1 > 4.236 ) and 
      (bondedto (attr store1 < 109.382109131  and attr store1 > 108.582109131 ) or 
       bondedto (attr store1 < 61.658  and attr store1 > 60.858 ) or 
       bondedto (attr store1 < 13.9338908686  and attr store1 > 13.1338908686 ))) 
6 0.1 0.1 peak 3553 volume 14.54938 ppm1 4.266 ppm2 4.519
 
! ############### c13noe.3554 folded +
assi (attr store1 < 4.496 and attr store1 > 4.396 )
     ((attr store1 < 4.295 and attr store1 > 4.235 ) and 
      (bondedto (attr store1 < 109.378109131  and attr store1 > 108.578109131 ) or 
       bondedto (attr store1 < 61.654  and attr store1 > 60.854 ) or 
       bondedto (attr store1 < 13.9298908686  and attr store1 > 13.1298908686 ))) 
6 0.1 0.1 peak 3554 volume 26.75130 ppm1 4.265 ppm2 4.446
 
! ############### c13noe.3555 folded +
assi (attr store1 < 4.416 and attr store1 > 4.316 )
     ((attr store1 < 4.297 and attr store1 > 4.237 ) and 
      (bondedto (attr store1 < 109.355109131  and attr store1 > 108.555109131 ) or 
       bondedto (attr store1 < 61.631  and attr store1 > 60.831 ) or 
       bondedto (attr store1 < 13.9068908686  and attr store1 > 13.1068908686 ))) 
6 0.1 0.1 peak 3555 volume 134.93385 ppm1 4.267 ppm2 4.366
 
! ############### c13noe.3556 folded +
assi (attr store1 < 4.239 and attr store1 > 4.139 )
     ((attr store1 < 4.291 and attr store1 > 4.231 ) and 
      (bondedto (attr store1 < 109.356109131  and attr store1 > 108.556109131 ) or 
       bondedto (attr store1 < 61.632  and attr store1 > 60.832 ) or 
       bondedto (attr store1 < 13.9078908686  and attr store1 > 13.1078908686 ))) 
6 0.1 0.1 peak 3556 volume 95.22204 ppm1 4.261 ppm2 4.189
 
! ############### c13noe.3557 folded +
assi (attr store1 < 3.302 and attr store1 > 3.202 )
     ((attr store1 < 3.19 and attr store1 > 3.13 ) and 
      (bondedto (attr store1 < 109.374109131  and attr store1 > 108.574109131 ) or 
       bondedto (attr store1 < 61.65  and attr store1 > 60.85 ) or 
       bondedto (attr store1 < 13.9258908686  and attr store1 > 13.1258908686 ))) 
6 0.1 0.1 peak 3557 volume 43.64334 ppm1 3.160 ppm2 3.252
 
! ############### c13noe.3558 folded +
assi (attr store1 < 1.95 and attr store1 > 1.85 )
     ((attr store1 < 1.831 and attr store1 > 1.771 ) and 
      (bondedto (attr store1 < 109.350109131  and attr store1 > 108.550109131 ) or 
       bondedto (attr store1 < 61.626  and attr store1 > 60.826 ) or 
       bondedto (attr store1 < 13.9018908686  and attr store1 > 13.1018908686 ))) 
6 0.1 0.1 peak 3558 volume 16.67698 ppm1 1.801 ppm2 1.900
 
! ############### c13noe.3559 folded +
assi (attr store1 < 1.242 and attr store1 > 1.142 )
     ((attr store1 < 1.479 and attr store1 > 1.419 ) and 
      (bondedto (attr store1 < 109.336109131  and attr store1 > 108.536109131 ) or 
       bondedto (attr store1 < 61.612  and attr store1 > 60.812 ) or 
       bondedto (attr store1 < 13.8878908686  and attr store1 > 13.0878908686 ))) 
6 0.1 0.1 peak 3559 volume 12.61679 ppm1 1.449 ppm2 1.192
 
! ############### c13noe.3560 folded +
assi (attr store1 < 1.504 and attr store1 > 1.404 )
     ((attr store1 < 1.223 and attr store1 > 1.163 ) and 
      (bondedto (attr store1 < 109.367109131  and attr store1 > 108.567109131 ) or 
       bondedto (attr store1 < 61.643  and attr store1 > 60.843 ) or 
       bondedto (attr store1 < 13.9188908686  and attr store1 > 13.1188908686 ))) 
6 0.1 0.1 peak 3560 volume 13.03887 ppm1 1.193 ppm2 1.454
 
! ############### c13noe.3561 folded -
assi (attr store1 < 2.746 and attr store1 > 2.646 )
     ((attr store1 < 3.409 and attr store1 > 3.349 ) and 
      (bondedto (attr store1 < 85.5110545657  and attr store1 > 84.7110545657 ) or 
       bondedto (attr store1 < 133.235163697  and attr store1 > 132.435163697) or 
       bondedto (attr store1 < 37.7869454343  and attr store1 > 36.9869454343 ))) 
6 0.1 0.1 peak 3561 volume 8.90332 ppm1 3.379 ppm2 2.696
 
! ############### c13noe.3562 folded -
assi (attr store1 < 2.738 and attr store1 > 2.638 )
     ((attr store1 < 3.331 and attr store1 > 3.271 ) and 
      (bondedto (attr store1 < 85.5330545657  and attr store1 > 84.7330545657 ) or 
       bondedto (attr store1 < 133.257163697  and attr store1 > 132.457163697) or 
       bondedto (attr store1 < 37.8089454343  and attr store1 > 37.0089454343 ))) 
6 0.1 0.1 peak 3562 volume 10.99348 ppm1 3.301 ppm2 2.688
 
! ############### c13noe.3563 folded +
assi (attr store1 < 8.446 and attr store1 > 8.346 )
     ((attr store1 < 4.302 and attr store1 > 4.242 ) and 
      (bondedto (attr store1 < 109.313109131  and attr store1 > 108.513109131 ) or 
       bondedto (attr store1 < 61.589  and attr store1 > 60.789 ) or 
       bondedto (attr store1 < 13.8648908686  and attr store1 > 13.0648908686 ))) 
6 0.1 0.1 peak 3563 volume 10.24512 ppm1 4.272 ppm2 8.396
 
! ############### c13noe.3564 folded +
assi (attr store1 < 7.997 and attr store1 > 7.897 )
     ((attr store1 < 4.3 and attr store1 > 4.24 ) and 
      (bondedto (attr store1 < 109.308109131  and attr store1 > 108.508109131 ) or 
       bondedto (attr store1 < 61.584  and attr store1 > 60.784 ) or 
       bondedto (attr store1 < 13.8598908686  and attr store1 > 13.0598908686 ))) 
6 0.1 0.1 peak 3564 volume 12.21389 ppm1 4.270 ppm2 7.947
 
! ############### c13noe.3565 folded +
assi (attr store1 < 1.954 and attr store1 > 1.854 )
     ((attr store1 < 4.3 and attr store1 > 4.24 ) and 
      (bondedto (attr store1 < 109.309109131  and attr store1 > 108.509109131 ) or 
       bondedto (attr store1 < 61.585  and attr store1 > 60.785 ) or 
       bondedto (attr store1 < 13.8608908686  and attr store1 > 13.0608908686 ))) 
6 0.1 0.1 peak 3565 volume 40.46172 ppm1 4.270 ppm2 1.904
 
! ############### c13noe.3566 folded +
assi (attr store1 < 1.241 and attr store1 > 1.141 )
     ((attr store1 < 4.298 and attr store1 > 4.238 ) and 
      (bondedto (attr store1 < 109.319109131  and attr store1 > 108.519109131 ) or 
       bondedto (attr store1 < 61.595  and attr store1 > 60.795 ) or 
       bondedto (attr store1 < 13.8708908686  and attr store1 > 13.0708908686 ))) 
6 0.1 0.1 peak 3566 volume 13.32432 ppm1 4.268 ppm2 1.191
 
! ############### c13noe.3567 folded +
assi (attr store1 < 3.723 and attr store1 > 3.623 )
     ((attr store1 < 3.87 and attr store1 > 3.81 ) and 
      (bondedto (attr store1 < 109.305109131  and attr store1 > 108.505109131 ) or 
       bondedto (attr store1 < 61.581  and attr store1 > 60.781 ) or 
       bondedto (attr store1 < 13.8568908686  and attr store1 > 13.0568908686 ))) 
6 0.1 0.1 peak 3567 volume 9.98807 ppm1 3.840 ppm2 3.673
 
! ############### c13noe.3568 folded +
assi (attr store1 < 1.858 and attr store1 > 1.758 )
     ((attr store1 < 1.937 and attr store1 > 1.877 ) and 
      (bondedto (attr store1 < 109.238109131  and attr store1 > 108.438109131 ) or 
       bondedto (attr store1 < 61.514  and attr store1 > 60.714 ) or 
       bondedto (attr store1 < 13.7898908686  and attr store1 > 12.9898908686 ))) 
6 0.1 0.1 peak 3568 volume 17.09950 ppm1 1.907 ppm2 1.808
 
! ############### c13noe.3569 folded -
assi (attr store1 < 3.431 and attr store1 > 3.331 )
     ((attr store1 < 2.731 and attr store1 > 2.671 ) and 
      (bondedto (attr store1 < 85.4560545657  and attr store1 > 84.6560545657 ) or 
       bondedto (attr store1 < 133.180163697  and attr store1 > 132.380163697) or 
       bondedto (attr store1 < 37.7319454343  and attr store1 > 36.9319454343 ))) 
6 0.1 0.1 peak 3569 volume 9.09537 ppm1 2.701 ppm2 3.381
 
! ############### c13noe.3570 folded -
assi (attr store1 < 3.358 and attr store1 > 3.258 )
     ((attr store1 < 2.712 and attr store1 > 2.652 ) and 
      (bondedto (attr store1 < 85.4660545657  and attr store1 > 84.6660545657 ) or 
       bondedto (attr store1 < 133.190163697  and attr store1 > 132.390163697) or 
       bondedto (attr store1 < 37.7419454343  and attr store1 > 36.9419454343 ))) 
6 0.1 0.1 peak 3570 volume 9.54911 ppm1 2.682 ppm2 3.308
 
! ############### c13noe.3571 folded -
assi (attr store1 < 3.415 and attr store1 > 3.315 )
     ((attr store1 < 2.702 and attr store1 > 2.642 ) and 
      (bondedto (attr store1 < 85.4240545657  and attr store1 > 84.6240545657 ) or 
       bondedto (attr store1 < 133.148163697  and attr store1 > 132.348163697) or 
       bondedto (attr store1 < 37.6999454343  and attr store1 > 36.8999454343 ))) 
6 0.1 0.1 peak 3571 volume 7.29757 ppm1 2.672 ppm2 3.365
 
! ############### c13noe.3572 folded +
assi (attr store1 < 4.739 and attr store1 > 4.639 )
     ((attr store1 < 4.47 and attr store1 > 4.41 ) and 
      (bondedto (attr store1 < 109.216109131  and attr store1 > 108.416109131 ) or 
       bondedto (attr store1 < 61.492  and attr store1 > 60.692 ) or 
       bondedto (attr store1 < 13.7678908686  and attr store1 > 12.9678908686 ))) 
6 0.1 0.1 peak 3572 volume 16.10775 ppm1 4.440 ppm2 4.689
 
! ############### c13noe.3573 folded +
assi (attr store1 < 4.099 and attr store1 > 3.999 )
     ((attr store1 < 4.469 and attr store1 > 4.409 ) and 
      (bondedto (attr store1 < 109.221109131  and attr store1 > 108.421109131 ) or 
       bondedto (attr store1 < 61.497  and attr store1 > 60.697 ) or 
       bondedto (attr store1 < 13.7728908686  and attr store1 > 12.9728908686 ))) 
6 0.1 0.1 peak 3573 volume 28.80045 ppm1 4.439 ppm2 4.049
 
! ############### c13noe.3574 folded +
assi (attr store1 < 4.115 and attr store1 > 4.015 )
     ((attr store1 < 4.394 and attr store1 > 4.334 ) and 
      (bondedto (attr store1 < 109.225109131  and attr store1 > 108.425109131 ) or 
       bondedto (attr store1 < 61.501  and attr store1 > 60.701 ) or 
       bondedto (attr store1 < 13.7768908686  and attr store1 > 12.9768908686 ))) 
6 0.1 0.1 peak 3574 volume 11.17153 ppm1 4.364 ppm2 4.065
 
! ############### c13noe.3575 folded +
assi (attr store1 < 4.052 and attr store1 > 3.952 )
     ((attr store1 < 4.391 and attr store1 > 4.331 ) and 
      (bondedto (attr store1 < 109.223109131  and attr store1 > 108.423109131 ) or 
       bondedto (attr store1 < 61.499  and attr store1 > 60.699 ) or 
       bondedto (attr store1 < 13.7748908686  and attr store1 > 12.9748908686 ))) 
6 0.1 0.1 peak 3575 volume 13.07526 ppm1 4.361 ppm2 4.002
 
! ############### c13noe.3576 folded +
assi (attr store1 < 4.097 and attr store1 > 3.997 )
     ((attr store1 < 4.38 and attr store1 > 4.32 ) and 
      (bondedto (attr store1 < 109.218109131  and attr store1 > 108.418109131 ) or 
       bondedto (attr store1 < 61.494  and attr store1 > 60.694 ) or 
       bondedto (attr store1 < 13.7698908686  and attr store1 > 12.9698908686 ))) 
6 0.1 0.1 peak 3576 volume 12.11110 ppm1 4.350 ppm2 4.047
 
! ############### c13noe.3577 folded +
assi (attr store1 < 2.089 and attr store1 > 1.989 )
     ((attr store1 < 4.073 and attr store1 > 4.013 ) and 
      (bondedto (attr store1 < 109.224109131  and attr store1 > 108.424109131 ) or 
       bondedto (attr store1 < 61.5  and attr store1 > 60.7 ) or 
       bondedto (attr store1 < 13.7758908686  and attr store1 > 12.9758908686 ))) 
6 0.1 0.1 peak 3577 volume 10.90624 ppm1 4.043 ppm2 2.039
 
! ############### c13noe.3578 folded +
assi (attr store1 < 1.74 and attr store1 > 1.64 )
     ((attr store1 < 4.065 and attr store1 > 4.005 ) and 
      (bondedto (attr store1 < 109.219109131  and attr store1 > 108.419109131 ) or 
       bondedto (attr store1 < 61.495  and attr store1 > 60.695 ) or 
       bondedto (attr store1 < 13.7708908686  and attr store1 > 12.9708908686 ))) 
6 0.1 0.1 peak 3578 volume 11.31079 ppm1 4.035 ppm2 1.690
 
! ############### c13noe.3579 folded +
assi (attr store1 < 1.724 and attr store1 > 1.624 )
     ((attr store1 < 3.969 and attr store1 > 3.909 ) and 
      (bondedto (attr store1 < 109.221109131  and attr store1 > 108.421109131 ) or 
       bondedto (attr store1 < 61.497  and attr store1 > 60.697 ) or 
       bondedto (attr store1 < 13.7728908686  and attr store1 > 12.9728908686 ))) 
6 0.1 0.1 peak 3579 volume 9.06117 ppm1 3.939 ppm2 1.674
 
! ############### c13noe.3580 folded +
assi (attr store1 < 2.097 and attr store1 > 1.997 )
     ((attr store1 < 3.964 and attr store1 > 3.904 ) and 
      (bondedto (attr store1 < 109.224109131  and attr store1 > 108.424109131 ) or 
       bondedto (attr store1 < 61.5  and attr store1 > 60.7 ) or 
       bondedto (attr store1 < 13.7758908686  and attr store1 > 12.9758908686 ))) 
6 0.1 0.1 peak 3580 volume 11.60625 ppm1 3.934 ppm2 2.047
 
! ############### c13noe.3581 folded +
assi (attr store1 < 1.982 and attr store1 > 1.882 )
     ((attr store1 < 3.963 and attr store1 > 3.903 ) and 
      (bondedto (attr store1 < 109.222109131  and attr store1 > 108.422109131 ) or 
       bondedto (attr store1 < 61.498  and attr store1 > 60.698 ) or 
       bondedto (attr store1 < 13.7738908686  and attr store1 > 12.9738908686 ))) 
6 0.1 0.1 peak 3581 volume 13.15658 ppm1 3.933 ppm2 1.932
 
! ############### c13noe.3582 folded +
assi (attr store1 < 1.492 and attr store1 > 1.392 )
     ((attr store1 < 3.964 and attr store1 > 3.904 ) and 
      (bondedto (attr store1 < 109.223109131  and attr store1 > 108.423109131 ) or 
       bondedto (attr store1 < 61.499  and attr store1 > 60.699 ) or 
       bondedto (attr store1 < 13.7748908686  and attr store1 > 12.9748908686 ))) 
6 0.1 0.1 peak 3582 volume 8.77977 ppm1 3.934 ppm2 1.442
 
! ############### c13noe.3583 folded +
assi (attr store1 < 0.996 and attr store1 > 0.896 )
     ((attr store1 < 3.965 and attr store1 > 3.905 ) and 
      (bondedto (attr store1 < 109.223109131  and attr store1 > 108.423109131 ) or 
       bondedto (attr store1 < 61.499  and attr store1 > 60.699 ) or 
       bondedto (attr store1 < 13.7748908686  and attr store1 > 12.9748908686 ))) 
6 0.1 0.1 peak 3583 volume 18.63357 ppm1 3.935 ppm2 0.946
 
! ############### c13noe.3584 folded +
assi (attr store1 < 1.72 and attr store1 > 1.62 )
     ((attr store1 < 3.962 and attr store1 > 3.902 ) and 
      (bondedto (attr store1 < 109.221109131  and attr store1 > 108.421109131 ) or 
       bondedto (attr store1 < 61.497  and attr store1 > 60.697 ) or 
       bondedto (attr store1 < 13.7728908686  and attr store1 > 12.9728908686 ))) 
6 0.1 0.1 peak 3584 volume 8.96743 ppm1 3.932 ppm2 1.670
 
! ############### c13noe.3585 folded +
assi (attr store1 < 1.934 and attr store1 > 1.834 )
     ((attr store1 < 3.755 and attr store1 > 3.695 ) and 
      (bondedto (attr store1 < 109.221109131  and attr store1 > 108.421109131 ) or 
       bondedto (attr store1 < 61.497  and attr store1 > 60.697 ) or 
       bondedto (attr store1 < 13.7728908686  and attr store1 > 12.9728908686 ))) 
6 0.1 0.1 peak 3585 volume 11.18545 ppm1 3.725 ppm2 1.884
 
! ############### c13noe.3586 folded +
assi (attr store1 < 0.955 and attr store1 > 0.855 )
     ((attr store1 < 3.75 and attr store1 > 3.69 ) and 
      (bondedto (attr store1 < 109.223109131  and attr store1 > 108.423109131 ) or 
       bondedto (attr store1 < 61.499  and attr store1 > 60.699 ) or 
       bondedto (attr store1 < 13.7748908686  and attr store1 > 12.9748908686 ))) 
6 0.1 0.1 peak 3586 volume 30.04027 ppm1 3.720 ppm2 0.905
 
! ############### c13noe.3587 folded +
assi (attr store1 < 2.014 and attr store1 > 1.914 )
     ((attr store1 < 2.345 and attr store1 > 2.285 ) and 
      (bondedto (attr store1 < 109.212109131  and attr store1 > 108.412109131 ) or 
       bondedto (attr store1 < 61.488  and attr store1 > 60.688 ) or 
       bondedto (attr store1 < 13.7638908686  and attr store1 > 12.9638908686 ))) 
6 0.1 0.1 peak 3587 volume 25.53968 ppm1 2.315 ppm2 1.964
 
! ############### c13noe.3588 folded +
assi (attr store1 < 2.37 and attr store1 > 2.27 )
     ((attr store1 < 2.008 and attr store1 > 1.948 ) and 
      (bondedto (attr store1 < 109.219109131  and attr store1 > 108.419109131 ) or 
       bondedto (attr store1 < 61.495  and attr store1 > 60.695 ) or 
       bondedto (attr store1 < 13.7708908686  and attr store1 > 12.9708908686 ))) 
6 0.1 0.1 peak 3588 volume 22.79532 ppm1 1.978 ppm2 2.320
 
! ############### c13noe.3589 folded +
assi (attr store1 < 2.356 and attr store1 > 2.256 )
     ((attr store1 < 1.969 and attr store1 > 1.909 ) and 
      (bondedto (attr store1 < 109.212109131  and attr store1 > 108.412109131 ) or 
       bondedto (attr store1 < 61.488  and attr store1 > 60.688 ) or 
       bondedto (attr store1 < 13.7638908686  and attr store1 > 12.9638908686 ))) 
6 0.1 0.1 peak 3589 volume 18.26663 ppm1 1.939 ppm2 2.306
 
! ############### c13noe.3590 folded +
assi (attr store1 < 1.958 and attr store1 > 1.858 )
     ((attr store1 < 1.829 and attr store1 > 1.769 ) and 
      (bondedto (attr store1 < 109.234109131  and attr store1 > 108.434109131 ) or 
       bondedto (attr store1 < 61.51  and attr store1 > 60.71 ) or 
       bondedto (attr store1 < 13.7858908686  and attr store1 > 12.9858908686 ))) 
6 0.1 0.1 peak 3590 volume 16.87945 ppm1 1.799 ppm2 1.908
 
! ############### c13noe.3591 folded +
assi (attr store1 < 0.793 and attr store1 > 0.693 )
     ((attr store1 < 0.922 and attr store1 > 0.862 ) and 
      (bondedto (attr store1 < 109.082109131  and attr store1 > 108.282109131 ) or 
       bondedto (attr store1 < 61.358  and attr store1 > 60.558 ) or 
       bondedto (attr store1 < 13.6338908686  and attr store1 > 12.8338908686 ))) 
6 0.1 0.1 peak 3591 volume 48.83187 ppm1 0.892 ppm2 0.743
 
! ############### c13noe.3592 folded +
assi (attr store1 < 0.717 and attr store1 > 0.617 )
     ((attr store1 < 0.922 and attr store1 > 0.862 ) and 
      (bondedto (attr store1 < 109.107109131  and attr store1 > 108.307109131 ) or 
       bondedto (attr store1 < 61.383  and attr store1 > 60.583 ) or 
       bondedto (attr store1 < 13.6588908686  and attr store1 > 12.8588908686 ))) 
6 0.1 0.1 peak 3592 volume 19.39901 ppm1 0.892 ppm2 0.667
 
! ############### c13noe.3593 folded -
assi (attr store1 < 4.563 and attr store1 > 4.463 )
     ((attr store1 < 4.471 and attr store1 > 4.411 ) and 
      (bondedto (attr store1 < 85.2250545657  and attr store1 > 84.4250545657 ) or 
       bondedto (attr store1 < 132.949163697  and attr store1 > 132.149163697) or 
       bondedto (attr store1 < 37.5009454343  and attr store1 > 36.7009454343 ))) 
6 0.1 0.1 peak 3593 volume 8.48319 ppm1 4.441 ppm2 4.513
 
! ############### c13noe.3594 folded -
assi (attr store1 < 8.282 and attr store1 > 8.182 )
     ((attr store1 < 2.445 and attr store1 > 2.385 ) and 
      (bondedto (attr store1 < 85.3600545657  and attr store1 > 84.5600545657 ) or 
       bondedto (attr store1 < 133.084163697  and attr store1 > 132.284163697) or 
       bondedto (attr store1 < 37.6359454343  and attr store1 > 36.8359454343 ))) 
6 0.1 0.1 peak 3594 volume 16.50325 ppm1 2.415 ppm2 8.232
 
! ############### c13noe.3595 folded -
assi (attr store1 < 4.152 and attr store1 > 4.052 )
     ((attr store1 < 2.442 and attr store1 > 2.382 ) and 
      (bondedto (attr store1 < 85.3580545657  and attr store1 > 84.5580545657 ) or 
       bondedto (attr store1 < 133.082163697  and attr store1 > 132.282163697) or 
       bondedto (attr store1 < 37.6339454343  and attr store1 > 36.8339454343 ))) 
6 0.1 0.1 peak 3595 volume 24.00482 ppm1 2.412 ppm2 4.102
 
! ############### c13noe.3596 folded -
assi (attr store1 < 2.247 and attr store1 > 2.147 )
     ((attr store1 < 2.444 and attr store1 > 2.384 ) and 
      (bondedto (attr store1 < 85.3550545657  and attr store1 > 84.5550545657 ) or 
       bondedto (attr store1 < 133.079163697  and attr store1 > 132.279163697) or 
       bondedto (attr store1 < 37.6309454343  and attr store1 > 36.8309454343 ))) 
6 0.1 0.1 peak 3596 volume 57.78921 ppm1 2.414 ppm2 2.197
 
! ############### c13noe.3597 folded -
assi (attr store1 < 2.161 and attr store1 > 2.061 )
     ((attr store1 < 2.444 and attr store1 > 2.384 ) and 
      (bondedto (attr store1 < 85.3580545657  and attr store1 > 84.5580545657 ) or 
       bondedto (attr store1 < 133.082163697  and attr store1 > 132.282163697) or 
       bondedto (attr store1 < 37.6339454343  and attr store1 > 36.8339454343 ))) 
6 0.1 0.1 peak 3597 volume 40.38953 ppm1 2.414 ppm2 2.111
 
! ############### c13noe.3598 folded -
assi (attr store1 < 0.988 and attr store1 > 0.888 )
     ((attr store1 < 2.44 and attr store1 > 2.38 ) and 
      (bondedto (attr store1 < 85.3550545657  and attr store1 > 84.5550545657 ) or 
       bondedto (attr store1 < 133.079163697  and attr store1 > 132.279163697) or 
       bondedto (attr store1 < 37.6309454343  and attr store1 > 36.8309454343 ))) 
6 0.1 0.1 peak 3598 volume 17.43718 ppm1 2.410 ppm2 0.938
 
! ############### c13noe.3599 folded -
assi (attr store1 < 2.534 and attr store1 > 2.434 )
     ((attr store1 < 2.428 and attr store1 > 2.368 ) and 
      (bondedto (attr store1 < 85.3610545657  and attr store1 > 84.5610545657 ) or 
       bondedto (attr store1 < 133.085163697  and attr store1 > 132.285163697) or 
       bondedto (attr store1 < 37.6369454343  and attr store1 > 36.8369454343 ))) 
6 0.1 0.1 peak 3599 volume 107.2601 ppm1 2.398 ppm2 2.484
 
! ############### c13noe.3600 folded -
assi (attr store1 < 8.28 and attr store1 > 8.18 )
     ((attr store1 < 2.386 and attr store1 > 2.326 ) and 
      (bondedto (attr store1 < 85.3570545657  and attr store1 > 84.5570545657 ) or 
       bondedto (attr store1 < 133.081163697  and attr store1 > 132.281163697) or 
       bondedto (attr store1 < 37.6329454343  and attr store1 > 36.8329454343 ))) 
6 0.1 0.1 peak 3600 volume 14.73016 ppm1 2.356 ppm2 8.230
 
! ############### c13noe.3601 folded -
assi (attr store1 < 4.154 and attr store1 > 4.054 )
     ((attr store1 < 2.385 and attr store1 > 2.325 ) and 
      (bondedto (attr store1 < 85.3570545657  and attr store1 > 84.5570545657 ) or 
       bondedto (attr store1 < 133.081163697  and attr store1 > 132.281163697) or 
       bondedto (attr store1 < 37.6329454343  and attr store1 > 36.8329454343 ))) 
6 0.1 0.1 peak 3601 volume 23.7858 ppm1 2.355 ppm2 4.104
 
! ############### c13noe.3602 folded -
assi (attr store1 < 2.464 and attr store1 > 2.364 )
     ((attr store1 < 2.381 and attr store1 > 2.321 ) and 
      (bondedto (attr store1 < 85.3610545657  and attr store1 > 84.5610545657 ) or 
       bondedto (attr store1 < 133.085163697  and attr store1 > 132.285163697) or 
       bondedto (attr store1 < 37.6369454343  and attr store1 > 36.8369454343 ))) 
6 0.1 0.1 peak 3602 volume 467.58243 ppm1 2.351 ppm2 2.414
 
! ############### c13noe.3603 folded -
assi (attr store1 < 2.254 and attr store1 > 2.154 )
     ((attr store1 < 2.383 and attr store1 > 2.323 ) and 
      (bondedto (attr store1 < 85.3570545657  and attr store1 > 84.5570545657 ) or 
       bondedto (attr store1 < 133.081163697  and attr store1 > 132.281163697) or 
       bondedto (attr store1 < 37.6329454343  and attr store1 > 36.8329454343 ))) 
6 0.1 0.1 peak 3603 volume 57.29544 ppm1 2.353 ppm2 2.204
 
! ############### c13noe.3604 folded -
assi (attr store1 < 2.165 and attr store1 > 2.065 )
     ((attr store1 < 2.383 and attr store1 > 2.323 ) and 
      (bondedto (attr store1 < 85.3580545657  and attr store1 > 84.5580545657 ) or 
       bondedto (attr store1 < 133.082163697  and attr store1 > 132.282163697) or 
       bondedto (attr store1 < 37.6339454343  and attr store1 > 36.8339454343 ))) 
6 0.1 0.1 peak 3604 volume 44.61261 ppm1 2.353 ppm2 2.115
 
! ############### c13noe.3605 folded -
assi (attr store1 < 0.987 and attr store1 > 0.887 )
     ((attr store1 < 2.383 and attr store1 > 2.323 ) and 
      (bondedto (attr store1 < 85.3570545657  and attr store1 > 84.5570545657 ) or 
       bondedto (attr store1 < 133.081163697  and attr store1 > 132.281163697) or 
       bondedto (attr store1 < 37.6329454343  and attr store1 > 36.8329454343 ))) 
6 0.1 0.1 peak 3605 volume 15.40117 ppm1 2.353 ppm2 0.937
 
! ############### c13noe.3606 folded -
assi (attr store1 < 4.145 and attr store1 > 4.045 )
     ((attr store1 < 2.374 and attr store1 > 2.314 ) and 
      (bondedto (attr store1 < 85.3580545657  and attr store1 > 84.5580545657 ) or 
       bondedto (attr store1 < 133.082163697  and attr store1 > 132.282163697) or 
       bondedto (attr store1 < 37.6339454343  and attr store1 > 36.8339454343 ))) 
6 0.1 0.1 peak 3606 volume 20.78761 ppm1 2.344 ppm2 4.095
 
! ############### c13noe.3607 folded -
assi (attr store1 < 2.544 and attr store1 > 2.444 )
     ((attr store1 < 2.361 and attr store1 > 2.301 ) and 
      (bondedto (attr store1 < 85.3640545657  and attr store1 > 84.5640545657 ) or 
       bondedto (attr store1 < 133.088163697  and attr store1 > 132.288163697) or 
       bondedto (attr store1 < 37.6399454343  and attr store1 > 36.8399454343 ))) 
6 0.1 0.1 peak 3607 volume 33.46272 ppm1 2.331 ppm2 2.494
 
! ############### c13noe.3608 folded -
assi (attr store1 < 8.419 and attr store1 > 8.319 )
     ((attr store1 < 2.207 and attr store1 > 2.147 ) and 
      (bondedto (attr store1 < 85.3610545657  and attr store1 > 84.5610545657 ) or 
       bondedto (attr store1 < 133.085163697  and attr store1 > 132.285163697) or 
       bondedto (attr store1 < 37.6369454343  and attr store1 > 36.8369454343 ))) 
6 0.1 0.1 peak 3608 volume 12.39312 ppm1 2.177 ppm2 8.369
 
! ############### c13noe.3609 folded -
assi (attr store1 < 0.886 and attr store1 > 0.786 )
     ((attr store1 < 2.207 and attr store1 > 2.147 ) and 
      (bondedto (attr store1 < 85.3610545657  and attr store1 > 84.5610545657 ) or 
       bondedto (attr store1 < 133.085163697  and attr store1 > 132.285163697) or 
       bondedto (attr store1 < 37.6369454343  and attr store1 > 36.8369454343 ))) 
6 0.1 0.1 peak 3609 volume 14.9983 ppm1 2.177 ppm2 0.836
 
! ############### c13noe.3610 folded -
assi (attr store1 < 1.031 and attr store1 > 0.931 )
     ((attr store1 < 2.203 and attr store1 > 2.143 ) and 
      (bondedto (attr store1 < 85.3610545657  and attr store1 > 84.5610545657 ) or 
       bondedto (attr store1 < 133.085163697  and attr store1 > 132.285163697) or 
       bondedto (attr store1 < 37.6369454343  and attr store1 > 36.8369454343 ))) 
6 0.1 0.1 peak 3610 volume 21.86142 ppm1 2.173 ppm2 0.981
 
! ############### c13noe.3611 folded -
assi (attr store1 < 0.827 and attr store1 > 0.727 )
     ((attr store1 < 0.922 and attr store1 > 0.862 ) and 
      (bondedto (attr store1 < 215.836054566  and attr store1 > 215.036054566 ) or 
       bondedto (attr store1 < 263.560163697  and attr store1 > 262.760163697) or 
       bondedto (attr store1 < 168.111945434  and attr store1 > 167.311945434 ))) 
6 0.1 0.1 peak 3611 volume 35.47661 ppm1 0.892 ppm2 0.777
 
! ############### c13noe.3612 folded -
assi (attr store1 < 1.422 and attr store1 > 1.322 )
     ((attr store1 < 0.905 and attr store1 > 0.845 ) and 
      (bondedto (attr store1 < 85.2480545657  and attr store1 > 84.4480545657 ) or 
       bondedto (attr store1 < 132.972163697  and attr store1 > 132.172163697) or 
       bondedto (attr store1 < 37.5239454343  and attr store1 > 36.7239454343 ))) 
6 0.1 0.1 peak 3612 volume 11.11759 ppm1 0.875 ppm2 1.372
 
! ############### c13noe.3613 folded -
assi (attr store1 < 1.347 and attr store1 > 1.247 )
     ((attr store1 < 0.905 and attr store1 > 0.845 ) and 
      (bondedto (attr store1 < 85.2640545657  and attr store1 > 84.4640545657 ) or 
       bondedto (attr store1 < 132.988163697  and attr store1 > 132.188163697) or 
       bondedto (attr store1 < 37.5399454343  and attr store1 > 36.7399454343 ))) 
6 0.1 0.1 peak 3613 volume 17.6435 ppm1 0.875 ppm2 1.297
 
! ############### c13noe.3614 folded -
assi (attr store1 < 0.963 and attr store1 > 0.863 )
     ((attr store1 < 0.875 and attr store1 > 0.815 ) and 
      (bondedto (attr store1 < 85.2810545657  and attr store1 > 84.4810545657 ) or 
       bondedto (attr store1 < 133.005163697  and attr store1 > 132.205163697) or 
       bondedto (attr store1 < 37.5569454343  and attr store1 > 36.7569454343 ))) 
6 0.1 0.1 peak 3614 volume 31.18567 ppm1 0.845 ppm2 0.913
 
! ############### c13noe.3615 folded -
assi (attr store1 < 0.834 and attr store1 > 0.734 )
     ((attr store1 < 0.876 and attr store1 > 0.816 ) and 
      (bondedto (attr store1 < 85.2310545657  and attr store1 > 84.4310545657 ) or 
       bondedto (attr store1 < 132.955163697  and attr store1 > 132.155163697) or 
       bondedto (attr store1 < 37.5069454343  and attr store1 > 36.7069454343 ))) 
6 0.1 0.1 peak 3615 volume 16.8699 ppm1 0.846 ppm2 0.784
 
! ############### c13noe.3616 folded +
assi (attr store1 < 3.914 and attr store1 > 3.814 )
     ((attr store1 < 3.806 and attr store1 > 3.746 ) and 
      (bondedto (attr store1 < 109.749109131  and attr store1 > 108.949109131 ) or 
       bondedto (attr store1 < 62.025  and attr store1 > 61.225 ) or 
       bondedto (attr store1 < 14.3008908686  and attr store1 > 13.5008908686 ))) 
6 0.1 0.1 peak 3616 volume 24.01435 ppm1 3.776 ppm2 3.864
 
! ############### c13noe.3617 folded +
assi (attr store1 < 0.654 and attr store1 > 0.554 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 109.842109131  and attr store1 > 109.042109131 ) or 
       bondedto (attr store1 < 62.118  and attr store1 > 61.318 ) or 
       bondedto (attr store1 < 14.3938908686  and attr store1 > 13.5938908686 ))) 
6 0.1 0.1 peak 3617 volume 10.75290 ppm1 0.746 ppm2 0.604
 
! ############### c13noe.3618 folded +
assi (attr store1 < 0.891 and attr store1 > 0.791 )
     ((attr store1 < 1.773 and attr store1 > 1.713 ) and 
      (bondedto (attr store1 < 110.029109131  and attr store1 > 109.229109131 ) or 
       bondedto (attr store1 < 62.305  and attr store1 > 61.505 ) or 
       bondedto (attr store1 < 14.5808908686  and attr store1 > 13.7808908686 ))) 
6 0.1 0.1 peak 3618 volume 10.36801 ppm1 1.743 ppm2 0.841
 
! ############### c13noe.3619 folded +
assi (attr store1 < 3.3 and attr store1 > 3.2 )
     ((attr store1 < 3.192 and attr store1 > 3.132 ) and 
      (bondedto (attr store1 < 110.215109131  and attr store1 > 109.415109131 ) or 
       bondedto (attr store1 < 62.491  and attr store1 > 61.691 ) or 
       bondedto (attr store1 < 14.7668908686  and attr store1 > 13.9668908686 ))) 
6 0.1 0.1 peak 3619 volume 16.98926 ppm1 3.162 ppm2 3.250
 
! ############### c13noe.3620 folded -
assi (attr store1 < 8.489 and attr store1 > 8.389 )
     ((attr store1 < 1.993 and attr store1 > 1.933 ) and 
      (bondedto (attr store1 < 86.4460545657  and attr store1 > 85.6460545657 ) or 
       bondedto (attr store1 < 134.170163697  and attr store1 > 133.370163697) or 
       bondedto (attr store1 < 38.7219454343  and attr store1 > 37.9219454343 ))) 
6 0.1 0.1 peak 3620 volume 6.26573 ppm1 1.963 ppm2 8.439
 
! ############### c13noe.3621 folded -
assi (attr store1 < 3.111 and attr store1 > 3.011 )
     ((attr store1 < 2.938 and attr store1 > 2.878 ) and 
      (bondedto (attr store1 < 86.7260545657  and attr store1 > 85.9260545657 ) or 
       bondedto (attr store1 < 134.450163697  and attr store1 > 133.650163697) or 
       bondedto (attr store1 < 39.0019454343  and attr store1 > 38.2019454343 ))) 
6 0.1 0.1 peak 3621 volume 103.43561 ppm1 2.908 ppm2 3.061
 
! ############### c13noe.3622 folded -
assi (attr store1 < 8.566 and attr store1 > 8.466 )
     ((attr store1 < 3.917 and attr store1 > 3.857 ) and 
      (bondedto (attr store1 < 108.537054566  and attr store1 > 107.737054566 ) or 
       bondedto (attr store1 < 156.261163697  and attr store1 > 155.461163697) or 
       bondedto (attr store1 < 60.8129454343  and attr store1 > 60.0129454343 ))) 
6 0.1 0.1 peak 3622 volume 12.35024 ppm1 3.887 ppm2 8.516
 
! ############### c13noe.3623 folded +
assi (attr store1 < 3.719 and attr store1 > 3.619 )
     ((attr store1 < 3.867 and attr store1 > 3.807 ) and 
      (bondedto (attr store1 < 131.654109131  and attr store1 > 130.854109131 ) or 
       bondedto (attr store1 < 83.93  and attr store1 > 83.13 ) or 
       bondedto (attr store1 < 36.2058908686  and attr store1 > 35.4058908686 ))) 
6 0.1 0.1 peak 3623 volume 22.04217 ppm1 3.837 ppm2 3.669
 
! ############### c13noe.3624 folded -
assi (attr store1 < 1.04 and attr store1 > 0.94 )
     ((attr store1 < 4.464 and attr store1 > 4.404 ) and 
      (bondedto (attr store1 < 107.699054566  and attr store1 > 106.899054566 ) or 
       bondedto (attr store1 < 155.423163697  and attr store1 > 154.623163697) or 
       bondedto (attr store1 < 59.9749454343  and attr store1 > 59.1749454343 ))) 
6 0.1 0.1 peak 3624 volume 10.58355 ppm1 4.434 ppm2 0.990
 
! ############### c13noe.3625 folded +
assi (attr store1 < 3.213 and attr store1 > 3.113 )
     ((attr store1 < 3.285 and attr store1 > 3.225 ) and 
      (bondedto (attr store1 < 131.467109131  and attr store1 > 130.667109131 ) or 
       bondedto (attr store1 < 83.743  and attr store1 > 82.943 ) or 
       bondedto (attr store1 < 36.0188908686  and attr store1 > 35.2188908686 ))) 
6 0.1 0.1 peak 3625 volume 14.48735 ppm1 3.255 ppm2 3.163
 
! ############### c13noe.3626 folded +
assi (attr store1 < 1.732 and attr store1 > 1.632 )
     ((attr store1 < 1.547 and attr store1 > 1.487 ) and 
      (bondedto (attr store1 < 131.374109131  and attr store1 > 130.574109131 ) or 
       bondedto (attr store1 < 83.65  and attr store1 > 82.85 ) or 
       bondedto (attr store1 < 35.9258908686  and attr store1 > 35.1258908686 ))) 
6 0.1 0.1 peak 3626 volume 6.18982 ppm1 1.517 ppm2 1.682
 
! ############### c13noe.3627 folded -
assi (attr store1 < 3.717 and attr store1 > 3.617 )
     ((attr store1 < 3.867 and attr store1 > 3.807 ) and 
      (bondedto (attr store1 < 107.419054566  and attr store1 > 106.619054566 ) or 
       bondedto (attr store1 < 155.143163697  and attr store1 > 154.343163697) or 
       bondedto (attr store1 < 59.6949454343  and attr store1 > 58.8949454343 ))) 
6 0.1 0.1 peak 3627 volume 12.08626 ppm1 3.837 ppm2 3.667
 
! ############### c13noe.3628 folded +
assi (attr store1 < 1.89 and attr store1 > 1.79 )
     ((attr store1 < 0.978 and attr store1 > 0.918 ) and 
      (bondedto (attr store1 < 131.281109131  and attr store1 > 130.481109131 ) or 
       bondedto (attr store1 < 83.557  and attr store1 > 82.757 ) or 
       bondedto (attr store1 < 35.8328908686  and attr store1 > 35.0328908686 ))) 
6 0.1 0.1 peak 3628 volume 7.69937 ppm1 0.948 ppm2 1.840
 
! ############### c13noe.3629 folded +
assi (attr store1 < 3.823 and attr store1 > 3.723 )
     ((attr store1 < 3.89 and attr store1 > 3.83 ) and 
      (bondedto (attr store1 < 130.908109131  and attr store1 > 130.108109131 ) or 
       bondedto (attr store1 < 83.184  and attr store1 > 82.384 ) or 
       bondedto (attr store1 < 35.4598908686  and attr store1 > 34.6598908686 ))) 
6 0.1 0.1 peak 3629 volume 31.28890 ppm1 3.860 ppm2 3.773
 
! ############### c13noe.3631 folded -
assi (attr store1 < 1.949 and attr store1 > 1.849 )
     ((attr store1 < 1.828 and attr store1 > 1.768 ) and 
      (bondedto (attr store1 < 87.5650545657  and attr store1 > 86.7650545657 ) or 
       bondedto (attr store1 < 135.289163697  and attr store1 > 134.489163697) or 
       bondedto (attr store1 < 39.8409454343  and attr store1 > 39.0409454343 ))) 
6 0.1 0.1 peak 3631 volume 16.29184 ppm1 1.798 ppm2 1.899
 
! ############### c13noe.3632 folded -
assi (attr store1 < 2.462 and attr store1 > 2.362 )
     ((attr store1 < 2.38 and attr store1 > 2.32 ) and 
      (bondedto (attr store1 < 87.7510545657  and attr store1 > 86.9510545657 ) or 
       bondedto (attr store1 < 135.475163697  and attr store1 > 134.675163697) or 
       bondedto (attr store1 < 40.0269454343  and attr store1 > 39.2269454343 ))) 
6 0.1 0.1 peak 3632 volume 9.87769 ppm1 2.350 ppm2 2.412
 
! ############### c13noe.3633 folded +
assi (attr store1 < 4.553 and attr store1 > 4.453 )
     ((attr store1 < 3.973 and attr store1 > 3.913 ) and 
      (bondedto (attr store1 < 112.079109131  and attr store1 > 111.279109131 ) or 
       bondedto (attr store1 < 64.355  and attr store1 > 63.555 ) or 
       bondedto (attr store1 < 16.6308908686  and attr store1 > 15.8308908686 ))) 
6 0.1 0.1 peak 3633 volume 158.21246 ppm1 3.943 ppm2 4.503
 
! ############### c13noe.3634 folded -
assi (attr store1 < 1.476 and attr store1 > 1.376 )
     ((attr store1 < 1.688 and attr store1 > 1.628 ) and 
      (bondedto (attr store1 < 88.3110545657  and attr store1 > 87.5110545657 ) or 
       bondedto (attr store1 < 136.035163697  and attr store1 > 135.235163697) or 
       bondedto (attr store1 < 40.5869454343  and attr store1 > 39.7869454343 ))) 
6 0.1 0.1 peak 3634 volume 7.73009 ppm1 1.658 ppm2 1.426
 
! ############### c13noe.3635 folded -
assi (attr store1 < 1.008 and attr store1 > 0.908 )
     ((attr store1 < 1.871 and attr store1 > 1.811 ) and 
      (bondedto (attr store1 < 88.3110545657  and attr store1 > 87.5110545657 ) or 
       bondedto (attr store1 < 136.035163697  and attr store1 > 135.235163697) or 
       bondedto (attr store1 < 40.5869454343  and attr store1 > 39.7869454343 ))) 
6 0.1 0.1 peak 3635 volume 7.49421 ppm1 1.841 ppm2 0.958
 
! ############### c13noe.3636 folded -
assi (attr store1 < 1.006 and attr store1 > 0.906 )
     ((attr store1 < 1.87 and attr store1 > 1.81 ) and 
      (bondedto (attr store1 < 88.4040545657  and attr store1 > 87.6040545657 ) or 
       bondedto (attr store1 < 136.128163697  and attr store1 > 135.328163697) or 
       bondedto (attr store1 < 40.6799454343  and attr store1 > 39.8799454343 ))) 
6 0.1 0.1 peak 3636 volume 7.48069 ppm1 1.840 ppm2 0.956
 
! ############### c13noe.3637 folded -
assi (attr store1 < 0.935 and attr store1 > 0.835 )
     ((attr store1 < 1.874 and attr store1 > 1.814 ) and 
      (bondedto (attr store1 < 88.4040545657  and attr store1 > 87.6040545657 ) or 
       bondedto (attr store1 < 136.128163697  and attr store1 > 135.328163697) or 
       bondedto (attr store1 < 40.6799454343  and attr store1 > 39.8799454343 ))) 
6 0.1 0.1 peak 3637 volume 8.26211 ppm1 1.844 ppm2 0.885
 
! ############### c13noe.3638 folded +
assi (attr store1 < 7.94 and attr store1 > 7.84 )
     ((attr store1 < 2.239 and attr store1 > 2.179 ) and 
      (bondedto (attr store1 < 113.198109131  and attr store1 > 112.398109131 ) or 
       bondedto (attr store1 < 65.474  and attr store1 > 64.674 ) or 
       bondedto (attr store1 < 17.7498908686  and attr store1 > 16.9498908686 ))) 
6 0.1 0.1 peak 3638 volume 7.21439 ppm1 2.209 ppm2 7.890
 
! ############### c13noe.3639 folded +
assi (attr store1 < 7.935 and attr store1 > 7.835 )
     ((attr store1 < 2.164 and attr store1 > 2.104 ) and 
      (bondedto (attr store1 < 113.198109131  and attr store1 > 112.398109131 ) or 
       bondedto (attr store1 < 65.474  and attr store1 > 64.674 ) or 
       bondedto (attr store1 < 17.7498908686  and attr store1 > 16.9498908686 ))) 
6 0.1 0.1 peak 3639 volume 7.20121 ppm1 2.134 ppm2 7.885
 
! ############### c13noe.3640 folded -
assi (attr store1 < 8.009 and attr store1 > 7.909 )
     ((attr store1 < 2.213 and attr store1 > 2.153 ) and 
      (bondedto (attr store1 < 89.3360545657  and attr store1 > 88.5360545657 ) or 
       bondedto (attr store1 < 137.060163697  and attr store1 > 136.260163697) or 
       bondedto (attr store1 < 41.6119454343  and attr store1 > 40.8119454343 ))) 
6 0.1 0.1 peak 3640 volume 6.75681 ppm1 2.183 ppm2 7.959
 
! ############### c13noe.3641 folded +
assi (attr store1 < 0.844 and attr store1 > 0.744 )
     ((attr store1 < 0.524 and attr store1 > 0.464 ) and 
      (bondedto (attr store1 < 113.384109131  and attr store1 > 112.584109131 ) or 
       bondedto (attr store1 < 65.66  and attr store1 > 64.86 ) or 
       bondedto (attr store1 < 17.9358908686  and attr store1 > 17.1358908686 ))) 
6 0.1 0.1 peak 3641 volume 7.96980 ppm1 0.494 ppm2 0.794
 
! ############### c13noe.3642 folded +
assi (attr store1 < 1.769 and attr store1 > 1.669 )
     ((attr store1 < 3.287 and attr store1 > 3.227 ) and 
      (bondedto (attr store1 < 114.316109131  and attr store1 > 113.516109131 ) or 
       bondedto (attr store1 < 66.592  and attr store1 > 65.792 ) or 
       bondedto (attr store1 < 18.8678908686  and attr store1 > 18.0678908686 ))) 
6 0.1 0.1 peak 3642 volume 13.88199 ppm1 3.257 ppm2 1.719
 
! ############### c13noe.3643 folded +
assi (attr store1 < 8.347 and attr store1 > 8.247 )
     ((attr store1 < 1.621 and attr store1 > 1.561 ) and 
      (bondedto (attr store1 < 114.596109131  and attr store1 > 113.796109131 ) or 
       bondedto (attr store1 < 66.872  and attr store1 > 66.072 ) or 
       bondedto (attr store1 < 19.1478908686  and attr store1 > 18.3478908686 ))) 
6 0.1 0.1 peak 3643 volume 10.00176 ppm1 1.591 ppm2 8.297
 
! ############### c13noe.3644 folded +
assi (attr store1 < 2.641 and attr store1 > 2.541 )
     ((attr store1 < 3.816 and attr store1 > 3.756 ) and 
      (bondedto (attr store1 < 114.689109131  and attr store1 > 113.889109131 ) or 
       bondedto (attr store1 < 66.965  and attr store1 > 66.165 ) or 
       bondedto (attr store1 < 19.2408908686  and attr store1 > 18.4408908686 ))) 
6 0.1 0.1 peak 3644 volume 7.32071 ppm1 3.786 ppm2 2.591
 
! ############### c13noe.3645 folded +
assi (attr store1 < 8.203 and attr store1 > 8.103 )
     ((attr store1 < 1.827 and attr store1 > 1.767 ) and 
      (bondedto (attr store1 < 115.342109131  and attr store1 > 114.542109131 ) or 
       bondedto (attr store1 < 67.618  and attr store1 > 66.818 ) or 
       bondedto (attr store1 < 19.8938908686  and attr store1 > 19.0938908686 ))) 
6 0.1 0.1 peak 3645 volume 6.35745 ppm1 1.797 ppm2 8.153
 
! ############### c13noe.3646 folded -
assi (attr store1 < 3.307 and attr store1 > 3.207 )
     ((attr store1 < 3.19 and attr store1 > 3.13 ) and 
      (bondedto (attr store1 < 93.2510545657  and attr store1 > 92.4510545657 ) or 
       bondedto (attr store1 < 140.975163697  and attr store1 > 140.175163697) or 
       bondedto (attr store1 < 45.5269454343  and attr store1 > 44.7269454343 ))) 
6 0.1 0.1 peak 3646 volume 16.05248 ppm1 3.160 ppm2 3.257
 
! ############### c13noe.3647 folded +
assi (attr store1 < 3.91 and attr store1 > 3.81 )
     ((attr store1 < 3.806 and attr store1 > 3.746 ) and 
      (bondedto (attr store1 < 117.299109131  and attr store1 > 116.499109131 ) or 
       bondedto (attr store1 < 69.575  and attr store1 > 68.775 ) or 
       bondedto (attr store1 < 21.8508908686  and attr store1 > 21.0508908686 ))) 
6 0.1 0.1 peak 3647 volume 13.92525 ppm1 3.776 ppm2 3.860
 
! ############### c13noe.3648 folded +
assi (attr store1 < 0.958 and attr store1 > 0.858 )
     ((attr store1 < 2.084 and attr store1 > 2.024 ) and 
      (bondedto (attr store1 < 117.579109131  and attr store1 > 116.779109131 ) or 
       bondedto (attr store1 < 69.855  and attr store1 > 69.055 ) or 
       bondedto (attr store1 < 22.1308908686  and attr store1 > 21.3308908686 ))) 
6 0.1 0.1 peak 3648 volume 7.54738 ppm1 2.054 ppm2 0.908
 
! ############### c13noe.3649 folded -
assi (attr store1 < 1.866 and attr store1 > 1.766 )
     ((attr store1 < 1.943 and attr store1 > 1.883 ) and 
      (bondedto (attr store1 < 93.8100545657  and attr store1 > 93.0100545657 ) or 
       bondedto (attr store1 < 141.534163697  and attr store1 > 140.734163697) or 
       bondedto (attr store1 < 46.0859454343  and attr store1 > 45.2859454343 ))) 
6 0.1 0.1 peak 3649 volume 20.30548 ppm1 1.913 ppm2 1.816
 
! ############### c13noe.3650 folded +
assi (attr store1 < 2.019 and attr store1 > 1.919 )
     ((attr store1 < 2.35 and attr store1 > 2.29 ) and 
      (bondedto (attr store1 < 117.672109131  and attr store1 > 116.872109131 ) or 
       bondedto (attr store1 < 69.948  and attr store1 > 69.148 ) or 
       bondedto (attr store1 < 22.2238908686  and attr store1 > 21.4238908686 ))) 
6 0.1 0.1 peak 3650 volume 28.50344 ppm1 2.320 ppm2 1.969
 
! ############### c13noe.3651 folded +
assi (attr store1 < 8.411 and attr store1 > 8.311 )
     ((attr store1 < 0.895 and attr store1 > 0.835 ) and 
      (bondedto (attr store1 < 118.697109131  and attr store1 > 117.897109131 ) or 
       bondedto (attr store1 < 70.973  and attr store1 > 70.173 ) or 
       bondedto (attr store1 < 23.2488908686  and attr store1 > 22.4488908686 ))) 
6 0.1 0.1 peak 3651 volume 18.74645 ppm1 0.865 ppm2 8.361
 
! ############### c13noe.3652 folded -
assi (attr store1 < 3.715 and attr store1 > 3.615 )
     ((attr store1 < 3.865 and attr store1 > 3.805 ) and 
      (bondedto (attr store1 < 95.7680545657  and attr store1 > 94.9680545657 ) or 
       bondedto (attr store1 < 143.492163697  and attr store1 > 142.692163697) or 
       bondedto (attr store1 < 48.0439454343  and attr store1 > 47.2439454343 ))) 
6 0.1 0.1 peak 3652 volume 9.37803 ppm1 3.835 ppm2 3.665
 
! ############### c13noe.3653 folded +
assi (attr store1 < 1.856 and attr store1 > 1.756 )
     ((attr store1 < 1.938 and attr store1 > 1.878 ) and 
      (bondedto (attr store1 < 119.909109131  and attr store1 > 119.109109131 ) or 
       bondedto (attr store1 < 72.185  and attr store1 > 71.385 ) or 
       bondedto (attr store1 < 24.4608908686  and attr store1 > 23.6608908686 ))) 
6 0.1 0.1 peak 3653 volume 24.19837 ppm1 1.908 ppm2 1.806
 
! ############### c13noe.3654 folded -
assi (attr store1 < 2.756 and attr store1 > 2.656 )
     ((attr store1 < 2.833 and attr store1 > 2.773 ) and 
      (bondedto (attr store1 < 96.2340545657  and attr store1 > 95.4340545657 ) or 
       bondedto (attr store1 < 143.958163697  and attr store1 > 143.158163697) or 
       bondedto (attr store1 < 48.5099454343  and attr store1 > 47.7099454343 ))) 
6 0.1 0.1 peak 3654 volume 7.43667 ppm1 2.803 ppm2 2.706
 
! ############### c13noe.3655 folded +
assi (attr store1 < 2.051 and attr store1 > 1.951 )
     ((attr store1 < 1.922 and attr store1 > 1.862 ) and 
      (bondedto (attr store1 < 120.189109131  and attr store1 > 119.389109131 ) or 
       bondedto (attr store1 < 72.465  and attr store1 > 71.665 ) or 
       bondedto (attr store1 < 24.7408908686  and attr store1 > 23.9408908686 ))) 
6 0.1 0.1 peak 3655 volume 11.53240 ppm1 1.892 ppm2 2.001
 
! ############### c13noe.3656 folded +
assi (attr store1 < 3.839 and attr store1 > 3.739 )
     ((attr store1 < 3.89 and attr store1 > 3.83 ) and 
      (bondedto (attr store1 < 120.282109131  and attr store1 > 119.482109131 ) or 
       bondedto (attr store1 < 72.558  and attr store1 > 71.758 ) or 
       bondedto (attr store1 < 24.8338908686  and attr store1 > 24.0338908686 ))) 
6 0.1 0.1 peak 3656 volume 27.74484 ppm1 3.860 ppm2 3.789
 
! ############### c13noe.3657 folded +
assi (attr store1 < 1.831 and attr store1 > 1.731 )
     ((attr store1 < 1.99 and attr store1 > 1.93 ) and 
      (bondedto (attr store1 < 120.655109131  and attr store1 > 119.855109131 ) or 
       bondedto (attr store1 < 72.931  and attr store1 > 72.131 ) or 
       bondedto (attr store1 < 25.2068908686  and attr store1 > 24.4068908686 ))) 
6 0.1 0.1 peak 3657 volume 23.70977 ppm1 1.960 ppm2 1.781
 
! ############### c13noe.3658 folded +
assi (attr store1 < 1.51 and attr store1 > 1.41 )
     ((attr store1 < 2.073 and attr store1 > 2.013 ) and 
      (bondedto (attr store1 < 120.655109131  and attr store1 > 119.855109131 ) or 
       bondedto (attr store1 < 72.931  and attr store1 > 72.131 ) or 
       bondedto (attr store1 < 25.2068908686  and attr store1 > 24.4068908686 ))) 
6 0.1 0.1 peak 3658 volume 9.63328 ppm1 2.043 ppm2 1.460
 
! ############### c13noe.3659 folded +
assi (attr store1 < 1.942 and attr store1 > 1.842 )
     ((attr store1 < 2.026 and attr store1 > 1.966 ) and 
      (bondedto (attr store1 < 121.214109131  and attr store1 > 120.414109131 ) or 
       bondedto (attr store1 < 73.49  and attr store1 > 72.69 ) or 
       bondedto (attr store1 < 25.7658908686  and attr store1 > 24.9658908686 ))) 
6 0.1 0.1 peak 3659 volume 26.79211 ppm1 1.996 ppm2 1.892
 
! ############### c13noe.3660 folded -
assi (attr store1 < 1.18 and attr store1 > 1.08 )
     ((attr store1 < 3.624 and attr store1 > 3.564 ) and 
      (bondedto (attr store1 < 97.6320545657  and attr store1 > 96.8320545657 ) or 
       bondedto (attr store1 < 145.356163697  and attr store1 > 144.556163697) or 
       bondedto (attr store1 < 49.9079454343  and attr store1 > 49.1079454343 ))) 
6 0.1 0.1 peak 3660 volume 6.64684 ppm1 3.594 ppm2 1.130
 
! ############### c13noe.3661 folded -
assi (attr store1 < 2.403 and attr store1 > 2.303 )
     ((attr store1 < 2.442 and attr store1 > 2.382 ) and 
      (bondedto (attr store1 < 97.6320545657  and attr store1 > 96.8320545657 ) or 
       bondedto (attr store1 < 145.356163697  and attr store1 > 144.556163697) or 
       bondedto (attr store1 < 49.9079454343  and attr store1 > 49.1079454343 ))) 
6 0.1 0.1 peak 3661 volume 11.2517 ppm1 2.412 ppm2 2.353
 
! ############### c13noe.3662 folded -
assi (attr store1 < 0.971 and attr store1 > 0.871 )
     ((attr store1 < 4.47 and attr store1 > 4.41 ) and 
      (bondedto (attr store1 < 106.114054566  and attr store1 > 105.314054566 ) or 
       bondedto (attr store1 < 153.838163697  and attr store1 > 153.038163697) or 
       bondedto (attr store1 < 58.3899454343  and attr store1 > 57.5899454343 ))) 
6 0.1 0.1 peak 3662 volume 13.3989 ppm1 4.440 ppm2 0.921
 
! ############### c13noe.3663 folded +
assi (attr store1 < 2.835 and attr store1 > 2.735 )
     ((attr store1 < 2.46 and attr store1 > 2.4 ) and 
      (bondedto (attr store1 < 129.044109131  and attr store1 > 128.244109131 ) or 
       bondedto (attr store1 < 81.32  and attr store1 > 80.52 ) or 
       bondedto (attr store1 < 33.5958908686  and attr store1 > 32.7958908686 ))) 
6 0.1 0.1 peak 3663 volume 8.59518 ppm1 2.430 ppm2 2.785
 
! ############### c13noe.3664 folded -
assi (attr store1 < 0.85 and attr store1 > 0.75 )
     ((attr store1 < 4.014 and attr store1 > 3.954 ) and 
      (bondedto (attr store1 < 103.970054566  and attr store1 > 103.170054566 ) or 
       bondedto (attr store1 < 151.694163697  and attr store1 > 150.894163697) or 
       bondedto (attr store1 < 56.2459454343  and attr store1 > 55.4459454343 ))) 
6 0.1 0.1 peak 3664 volume 21.3416 ppm1 3.984 ppm2 0.800
 
! ############### c13noe.3665 folded +
assi (attr store1 < 8.717 and attr store1 > 8.617 )
     ((attr store1 < 2.365 and attr store1 > 2.305 ) and 
      (bondedto (attr store1 < 127.552109131  and attr store1 > 126.752109131 ) or 
       bondedto (attr store1 < 79.828  and attr store1 > 79.028 ) or 
       bondedto (attr store1 < 32.1038908686  and attr store1 > 31.3038908686 ))) 
6 0.1 0.1 peak 3665 volume 6.47917 ppm1 2.335 ppm2 8.667
 
! ############### c13noe.3666 folded +
assi (attr store1 < 3.719 and attr store1 > 3.619 )
     ((attr store1 < 3.866 and attr store1 > 3.806 ) and 
      (bondedto (attr store1 < 126.900109131  and attr store1 > 126.100109131 ) or 
       bondedto (attr store1 < 79.176  and attr store1 > 78.376 ) or 
       bondedto (attr store1 < 31.4518908686  and attr store1 > 30.6518908686 ))) 
6 0.1 0.1 peak 3666 volume 11.49490 ppm1 3.836 ppm2 3.669
 
! ############### c13noe.3667 folded +
assi (attr store1 < 3.717 and attr store1 > 3.617 )
     ((attr store1 < 3.865 and attr store1 > 3.805 ) and 
      (bondedto (attr store1 < 125.875109131  and attr store1 > 125.075109131 ) or 
       bondedto (attr store1 < 78.151  and attr store1 > 77.351 ) or 
       bondedto (attr store1 < 30.4268908686  and attr store1 > 29.6268908686 ))) 
6 0.1 0.1 peak 3667 volume 12.17519 ppm1 3.835 ppm2 3.667
 
! ############### c13noe.3668 folded +
assi (attr store1 < 0.975 and attr store1 > 0.875 )
     ((attr store1 < 0.723 and attr store1 > 0.663 ) and 
      (bondedto (attr store1 < 125.502109131  and attr store1 > 124.702109131 ) or 
       bondedto (attr store1 < 77.778  and attr store1 > 76.978 ) or 
       bondedto (attr store1 < 30.0538908686  and attr store1 > 29.2538908686 ))) 
6 0.1 0.1 peak 3668 volume 7.00113 ppm1 0.693 ppm2 0.925
 
! ############### c13noe.3669 folded +
assi (attr store1 < 1.763 and attr store1 > 1.663 )
     ((attr store1 < 0.497 and attr store1 > 0.437 ) and 
      (bondedto (attr store1 < 125.502109131  and attr store1 > 124.702109131 ) or 
       bondedto (attr store1 < 77.778  and attr store1 > 76.978 ) or 
       bondedto (attr store1 < 30.0538908686  and attr store1 > 29.2538908686 ))) 
6 0.1 0.1 peak 3669 volume 6.58926 ppm1 0.467 ppm2 1.713
 
! ############### c13noe.3670 folded +
assi (attr store1 < 1.497 and attr store1 > 1.397 )
     ((attr store1 < 0.908 and attr store1 > 0.848 ) and 
      (bondedto (attr store1 < 124.849109131  and attr store1 > 124.049109131 ) or 
       bondedto (attr store1 < 77.125  and attr store1 > 76.325 ) or 
       bondedto (attr store1 < 29.4008908686  and attr store1 > 28.6008908686 ))) 
6 0.1 0.1 peak 3670 volume 11.74652 ppm1 0.878 ppm2 1.447
 
! ############### c13noe.3671 folded +
assi (attr store1 < 2.597 and attr store1 > 2.497 )
     ((attr store1 < 2.3 and attr store1 > 2.24 ) and 
      (bondedto (attr store1 < 124.290109131  and attr store1 > 123.490109131 ) or 
       bondedto (attr store1 < 76.566  and attr store1 > 75.766 ) or 
       bondedto (attr store1 < 28.8418908686  and attr store1 > 28.0418908686 ))) 
6 0.1 0.1 peak 3671 volume 54.05759 ppm1 2.270 ppm2 2.547
 
! ############### c13noe.3672 folded +
assi (attr store1 < 3.909 and attr store1 > 3.809 )
     ((attr store1 < 3.796 and attr store1 > 3.736 ) and 
      (bondedto (attr store1 < 124.197109131  and attr store1 > 123.397109131 ) or 
       bondedto (attr store1 < 76.473  and attr store1 > 75.673 ) or 
       bondedto (attr store1 < 28.7488908686  and attr store1 > 27.9488908686 ))) 
6 0.1 0.1 peak 3672 volume 25.83890 ppm1 3.766 ppm2 3.859
 
! ############### c13noe.3673 folded +
assi (attr store1 < 1.61 and attr store1 > 1.51 )
     ((attr store1 < 0.741 and attr store1 > 0.681 ) and 
      (bondedto (attr store1 < 123.451109131  and attr store1 > 122.651109131 ) or 
       bondedto (attr store1 < 75.727  and attr store1 > 74.927 ) or 
       bondedto (attr store1 < 28.0028908686  and attr store1 > 27.2028908686 ))) 
6 0.1 0.1 peak 3673 volume 14.64950 ppm1 0.711 ppm2 1.560
 
! ############### c13noe.3674 folded +
assi (attr store1 < 1.609 and attr store1 > 1.509 )
     ((attr store1 < 0.685 and attr store1 > 0.625 ) and 
      (bondedto (attr store1 < 123.451109131  and attr store1 > 122.651109131 ) or 
       bondedto (attr store1 < 75.727  and attr store1 > 74.927 ) or 
       bondedto (attr store1 < 28.0028908686  and attr store1 > 27.2028908686 ))) 
6 0.1 0.1 peak 3674 volume 11.48058 ppm1 0.655 ppm2 1.559
 
! ############### c13noe.3675 folded +
assi (attr store1 < 1.097 and attr store1 > 0.997 )
     ((attr store1 < 1.7 and attr store1 > 1.64 ) and 
      (bondedto (attr store1 < 123.451109131  and attr store1 > 122.651109131 ) or 
       bondedto (attr store1 < 75.727  and attr store1 > 74.927 ) or 
       bondedto (attr store1 < 28.0028908686  and attr store1 > 27.2028908686 ))) 
6 0.1 0.1 peak 3675 volume 49.62337 ppm1 1.670 ppm2 1.047
 
! ############### c13noe.3676 folded +
assi (attr store1 < 3.367 and attr store1 > 3.267 )
     ((attr store1 < 1.722 and attr store1 > 1.662 ) and 
      (bondedto (attr store1 < 123.172109131  and attr store1 > 122.372109131 ) or 
       bondedto (attr store1 < 75.448  and attr store1 > 74.648 ) or 
       bondedto (attr store1 < 27.7238908686  and attr store1 > 26.9238908686 ))) 
6 0.1 0.1 peak 3676 volume 29.15723 ppm1 1.692 ppm2 3.317
 
! ############### c13noe.3677 folded +
assi (attr store1 < 3.301 and attr store1 > 3.201 )
     ((attr store1 < 3.348 and attr store1 > 3.288 ) and 
      (bondedto (attr store1 < 122.799109131  and attr store1 > 121.999109131 ) or 
       bondedto (attr store1 < 75.075  and attr store1 > 74.275 ) or 
       bondedto (attr store1 < 27.3508908686  and attr store1 > 26.5508908686 ))) 
6 0.1 0.1 peak 3677 volume 10.81319 ppm1 3.318 ppm2 3.251
 
! ############### c13noe.3678 folded -
assi (attr store1 < 1.253 and attr store1 > 1.153 )
     ((attr store1 < 1.479 and attr store1 > 1.419 ) and 
      (bondedto (attr store1 < 98.6570545657  and attr store1 > 97.8570545657 ) or 
       bondedto (attr store1 < 146.381163697  and attr store1 > 145.581163697) or 
       bondedto (attr store1 < 50.9329454343  and attr store1 > 50.1329454343 ))) 
6 0.1 0.1 peak 3678 volume 30.08729 ppm1 1.449 ppm2 1.203
 
! ############### c13noe.3679 folded -
assi (attr store1 < 6.575 and attr store1 > 6.475 )
     ((attr store1 < 7.384 and attr store1 > 7.324 ) and 
      (bondedto (attr store1 < 86.1670545657  and attr store1 > 85.3670545657 ) or 
       bondedto (attr store1 < 133.891163697  and attr store1 > 133.091163697) or 
       bondedto (attr store1 < 38.4429454343  and attr store1 > 37.6429454343 ))) 
6 0.1 0.1 peak 3679 volume 6.59337 ppm1 7.354 ppm2 6.525
 
! ############### c13noe.3680 folded -
assi (attr store1 < 6.971 and attr store1 > 6.871 )
     ((attr store1 < 7.392 and attr store1 > 7.332 ) and 
      (bondedto (attr store1 < 86.1670545657  and attr store1 > 85.3670545657 ) or 
       bondedto (attr store1 < 133.891163697  and attr store1 > 133.091163697) or 
       bondedto (attr store1 < 38.4429454343  and attr store1 > 37.6429454343 ))) 
6 0.1 0.1 peak 3680 volume 6.09403 ppm1 7.362 ppm2 6.921
 
! ############### c13noe.3681 folded +
assi (attr store1 < 6.809 and attr store1 > 6.709 )
     ((attr store1 < 6.56 and attr store1 > 6.5 ) and 
      (bondedto (attr store1 < 119.163109131  and attr store1 > 118.363109131 ) or 
       bondedto (attr store1 < 71.439  and attr store1 > 70.639 ) or 
       bondedto (attr store1 < 23.7148908686  and attr store1 > 22.9148908686 ))) 
6 0.1 0.1 peak 3681 volume 6.95096 ppm1 6.530 ppm2 6.759
 
! ############### c13noe.3682 folded +
assi (attr store1 < 7.408 and attr store1 > 7.308 )
     ((attr store1 < 6.562 and attr store1 > 6.502 ) and 
      (bondedto (attr store1 < 119.163109131  and attr store1 > 118.363109131 ) or 
       bondedto (attr store1 < 71.439  and attr store1 > 70.639 ) or 
       bondedto (attr store1 < 23.7148908686  and attr store1 > 22.9148908686 ))) 
6 0.1 0.1 peak 3682 volume 5.52497 ppm1 6.532 ppm2 7.358
 
! ############### c13noe.3683 folded +
assi (attr store1 < 7.411 and attr store1 > 7.311 )
     ((attr store1 < 6.966 and attr store1 > 6.906 ) and 
      (bondedto (attr store1 < 132.120109131  and attr store1 > 131.320109131 ) or 
       bondedto (attr store1 < 84.396  and attr store1 > 83.596 ) or 
       bondedto (attr store1 < 36.6718908686  and attr store1 > 35.8718908686 ))) 
6 0.1 0.1 peak 3683 volume 3.76959 ppm1 6.936 ppm2 7.361
 




! ############### n15noe.0 NOT folded
assi (attr store1 < 3.888 and attr store1 > 3.788 ) 
     ((attr store1 < 8.508 and attr store1 > 8.448 ) and bondedto
      (attr store1 < 129.908  and attr store1 > 129.108 ))
6 0.1 0.1 peak 0 volume 6.51613 ppm1 8.478 ppm2 3.838
 
! ############### n15noe.1 NOT folded
assi (attr store1 < 7.674 and attr store1 > 7.574 ) 
     ((attr store1 < 8.501 and attr store1 > 8.441 ) and bondedto
      (attr store1 < 129.909  and attr store1 > 129.109 ))
6 0.1 0.1 peak 1 volume 17.79872 ppm1 8.471 ppm2 7.624
 
! ############### n15noe.2 NOT folded
assi (attr store1 < 1.711 and attr store1 > 1.611 ) 
     ((attr store1 < 8.507 and attr store1 > 8.447 ) and bondedto
      (attr store1 < 129.866  and attr store1 > 129.066 ))
6 0.1 0.1 peak 2 volume 6.41713 ppm1 8.477 ppm2 1.661
 
! ############### n15noe.3 NOT folded
assi (attr store1 < 9.232 and attr store1 > 9.132 ) 
     ((attr store1 < 8.501 and attr store1 > 8.441 ) and bondedto
      (attr store1 < 129.893  and attr store1 > 129.093 ))
6 0.1 0.1 peak 3 volume 16.21413 ppm1 8.471 ppm2 9.182
 
! ############### n15noe.4 NOT folded
assi (attr store1 < 8.241 and attr store1 > 8.141 ) 
     ((attr store1 < 8.503 and attr store1 > 8.443 ) and bondedto
      (attr store1 < 129.868  and attr store1 > 129.068 ))
6 0.1 0.1 peak 4 volume 5.70979 ppm1 8.473 ppm2 8.191
 
! ############### n15noe.5 NOT folded
assi (attr store1 < 8.026 and attr store1 > 7.926 ) 
     ((attr store1 < 8.502 and attr store1 > 8.442 ) and bondedto
      (attr store1 < 129.859  and attr store1 > 129.059 ))
6 0.1 0.1 peak 5 volume 5.53464 ppm1 8.472 ppm2 7.976
 
! ############### n15noe.6 NOT folded
assi (attr store1 < 4.718 and attr store1 > 4.618 ) 
     ((attr store1 < 8.502 and attr store1 > 8.442 ) and bondedto
      (attr store1 < 129.883  and attr store1 > 129.083 ))
6 0.1 0.1 peak 6 volume 7.50973 ppm1 8.472 ppm2 4.668
 
! ############### n15noe.7 NOT folded
assi (attr store1 < 4.393 and attr store1 > 4.293 ) 
     ((attr store1 < 8.502 and attr store1 > 8.442 ) and bondedto
      (attr store1 < 129.846  and attr store1 > 129.046 ))
6 0.1 0.1 peak 7 volume 4.06215 ppm1 8.472 ppm2 4.343
 
! ############### n15noe.8 NOT folded
assi (attr store1 < 4.157 and attr store1 > 4.057 ) 
     ((attr store1 < 8.501 and attr store1 > 8.441 ) and bondedto
      (attr store1 < 129.887  and attr store1 > 129.087 ))
6 0.1 0.1 peak 8 volume 13.63828 ppm1 8.471 ppm2 4.107
 
! ############### n15noe.9 NOT folded
assi (attr store1 < 4.026 and attr store1 > 3.926 ) 
     ((attr store1 < 8.502 and attr store1 > 8.442 ) and bondedto
      (attr store1 < 129.877  and attr store1 > 129.077 ))
6 0.1 0.1 peak 9 volume 4.57304 ppm1 8.472 ppm2 3.976
 
! ############### n15noe.10 NOT folded
assi (attr store1 < 2.976 and attr store1 > 2.876 ) 
     ((attr store1 < 8.503 and attr store1 > 8.443 ) and bondedto
      (attr store1 < 129.843  and attr store1 > 129.043 ))
6 0.1 0.1 peak 10 volume 5.24588 ppm1 8.473 ppm2 2.926
 
! ############### n15noe.11 NOT folded
assi (attr store1 < 2.392 and attr store1 > 2.292 ) 
     ((attr store1 < 8.502 and attr store1 > 8.442 ) and bondedto
      (attr store1 < 129.825  and attr store1 > 129.025 ))
6 0.1 0.1 peak 11 volume 4.09595 ppm1 8.472 ppm2 2.342
 
! ############### n15noe.12 NOT folded
assi (attr store1 < 1.581 and attr store1 > 1.481 ) 
     ((attr store1 < 8.503 and attr store1 > 8.443 ) and bondedto
      (attr store1 < 129.885  and attr store1 > 129.085 ))
6 0.1 0.1 peak 12 volume 49.90837 ppm1 8.473 ppm2 1.531
 
! ############### n15noe.13 NOT folded
assi (attr store1 < 1.123 and attr store1 > 1.023 ) 
     ((attr store1 < 8.503 and attr store1 > 8.443 ) and bondedto
      (attr store1 < 129.858  and attr store1 > 129.058 ))
6 0.1 0.1 peak 13 volume 6.28001 ppm1 8.473 ppm2 1.073
 
! ############### n15noe.14 NOT folded
assi ( resid  84  and name HD1%)
     ( resid 125  and name HN  )
6 0.1 0.1 peak 14 volume 30.37475 ppm1 8.472 ppm2 0.905
 
! ############### n15noe.15 NOT folded
assi (attr store1 < 2.578 and attr store1 > 2.478 ) 
     ((attr store1 < 8.499 and attr store1 > 8.439 ) and bondedto
      (attr store1 < 129.877  and attr store1 > 129.077 ))
6 0.1 0.1 peak 15 volume 4.93044 ppm1 8.469 ppm2 2.528
 
! ############### n15noe.16 NOT folded
assi (attr store1 < 2.1 and attr store1 > 2.0 ) 
     ((attr store1 < 8.499 and attr store1 > 8.439 ) and bondedto
      (attr store1 < 129.85  and attr store1 > 129.05 ))
6 0.1 0.1 peak 16 volume 4.98701 ppm1 8.469 ppm2 2.050
 
! ############### n15noe.17 folded
assi (attr store1 < 2.842 and attr store1 > 2.742 )
     ((attr store1 < 7.343 and attr store1 > 7.283 ) and bondedto
      (attr store1 < 104.513135794  and attr store1 > 103.713135794 ))
6 0.1 0.1 peak 17 volume 5.62623 ppm1 7.313 ppm2 2.792
 
! ############### n15noe.18 folded
assi (attr store1 < 4.758 and attr store1 > 4.658 )
     ((attr store1 < 7.332 and attr store1 > 7.272 ) and bondedto
      (attr store1 < 104.505135794  and attr store1 > 103.705135794 ))
6 0.1 0.1 peak 18 volume 3.84473 ppm1 7.302 ppm2 4.708
 
! ############### n15noe.19 folded
assi (attr store1 < 7.35 and attr store1 > 7.25 )
     ((attr store1 < 7.329 and attr store1 > 7.269 ) and bondedto
      (attr store1 < 104.469135794  and attr store1 > 103.669135794 ))
6 0.1 0.1 peak 19 volume 25.61969 ppm1 7.299 ppm2 7.300
 
! ############### n15noe.20 folded
assi (attr store1 < 2.656 and attr store1 > 2.556 )
     ((attr store1 < 7.328 and attr store1 > 7.268 ) and bondedto
      (attr store1 < 104.483135794  and attr store1 > 103.683135794 ))
6 0.1 0.1 peak 20 volume 5.80278 ppm1 7.298 ppm2 2.606
 
! ############### n15noe.21 folded
assi (attr store1 < 1.75 and attr store1 > 1.65 )
     ((attr store1 < 7.326 and attr store1 > 7.266 ) and bondedto
      (attr store1 < 104.496135794  and attr store1 > 103.696135794 ))
6 0.1 0.1 peak 21 volume 4.03346 ppm1 7.296 ppm2 1.700
 
! ############### n15noe.22 folded
assi (attr store1 < 0.954 and attr store1 > 0.854 )
     ((attr store1 < 7.33 and attr store1 > 7.27 ) and bondedto
      (attr store1 < 104.501135794  and attr store1 > 103.701135794 ))
6 0.1 0.1 peak 22 volume 6.01401 ppm1 7.300 ppm2 0.904
 
! ############### n15noe.23 folded
assi (attr store1 < 2.36 and attr store1 > 2.26 )
     ((attr store1 < 7.324 and attr store1 > 7.264 ) and bondedto
      (attr store1 < 104.475135794  and attr store1 > 103.675135794 ))
6 0.1 0.1 peak 23 volume 4.15073 ppm1 7.294 ppm2 2.310
 
! ############### n15noe.24 folded
assi (attr store1 < 2.851 and attr store1 > 2.751 )
     ((attr store1 < 6.158 and attr store1 > 6.098 ) and bondedto
      (attr store1 < 104.497135794  and attr store1 > 103.697135794 ))
6 0.1 0.1 peak 24 volume 6.12871 ppm1 6.128 ppm2 2.801
 
! ############### n15noe.25 folded
assi (attr store1 < 2.655 and attr store1 > 2.555 )
     ((attr store1 < 6.154 and attr store1 > 6.094 ) and bondedto
      (attr store1 < 104.491135794  and attr store1 > 103.691135794 ))
6 0.1 0.1 peak 25 volume 4.82195 ppm1 6.124 ppm2 2.605
 
! ############### n15noe.26 folded
assi (attr store1 < 2.364 and attr store1 > 2.264 )
     ((attr store1 < 6.15 and attr store1 > 6.09 ) and bondedto
      (attr store1 < 104.516135794  and attr store1 > 103.716135794 ))
6 0.1 0.1 peak 26 volume 3.94993 ppm1 6.120 ppm2 2.314
 
! ############### n15noe.27 folded
assi (attr store1 < 2.948 and attr store1 > 2.848 )
     ((attr store1 < 7.332 and attr store1 > 7.272 ) and bondedto
      (attr store1 < 104.445135794  and attr store1 > 103.645135794 ))
6 0.1 0.1 peak 27 volume 6.83858 ppm1 7.302 ppm2 2.898
 
! ############### n15noe.28 folded
assi (attr store1 < 2.869 and attr store1 > 2.769 )
     ((attr store1 < 7.332 and attr store1 > 7.272 ) and bondedto
      (attr store1 < 104.426135794  and attr store1 > 103.626135794 ))
6 0.1 0.1 peak 28 volume 6.58515 ppm1 7.302 ppm2 2.819
 
! ############### n15noe.29 folded
assi (attr store1 < 2.134 and attr store1 > 2.034 )
     ((attr store1 < 7.331 and attr store1 > 7.271 ) and bondedto
      (attr store1 < 104.439135794  and attr store1 > 103.639135794 ))
6 0.1 0.1 peak 29 volume 8.73068 ppm1 7.301 ppm2 2.084
 
! ############### n15noe.30 folded
assi (attr store1 < 6.179 and attr store1 > 6.079 )
     ((attr store1 < 7.329 and attr store1 > 7.269 ) and bondedto
      (attr store1 < 104.442135794  and attr store1 > 103.642135794 ))
6 0.1 0.1 peak 30 volume 25.29001 ppm1 7.299 ppm2 6.129
 
! ############### n15noe.31 folded
assi (attr store1 < 4.76 and attr store1 > 4.66 )
     ((attr store1 < 7.312 and attr store1 > 7.252 ) and bondedto
      (attr store1 < 104.400135794  and attr store1 > 103.600135794 ))
6 0.1 0.1 peak 31 volume 4.30903 ppm1 7.282 ppm2 4.710
 
! ############### n15noe.32 folded
assi (attr store1 < 2.86 and attr store1 > 2.76 )
     ((attr store1 < 7.312 and attr store1 > 7.252 ) and bondedto
      (attr store1 < 104.424135794  and attr store1 > 103.624135794 ))
6 0.1 0.1 peak 32 volume 5.61072 ppm1 7.282 ppm2 2.810
 
! ############### n15noe.33 folded
assi (attr store1 < 2.933 and attr store1 > 2.833 )
     ((attr store1 < 6.162 and attr store1 > 6.102 ) and bondedto
      (attr store1 < 104.419135794  and attr store1 > 103.619135794 ))
6 0.1 0.1 peak 33 volume 5.75648 ppm1 6.132 ppm2 2.883
 
! ############### n15noe.34 folded
assi (attr store1 < 0.952 and attr store1 > 0.852 )
     ((attr store1 < 6.165 and attr store1 > 6.105 ) and bondedto
      (attr store1 < 104.443135794  and attr store1 > 103.643135794 ))
6 0.1 0.1 peak 34 volume 7.21577 ppm1 6.135 ppm2 0.902
 
! ############### n15noe.35 folded
assi (attr store1 < 7.35 and attr store1 > 7.25 )
     ((attr store1 < 6.156 and attr store1 > 6.096 ) and bondedto
      (attr store1 < 104.436135794  and attr store1 > 103.636135794 ))
6 0.1 0.1 peak 35 volume 25.0036 ppm1 6.126 ppm2 7.300
 
! ############### n15noe.36 folded
assi (attr store1 < 2.142 and attr store1 > 2.042 )
     ((attr store1 < 6.16 and attr store1 > 6.1 ) and bondedto
      (attr store1 < 104.441135794  and attr store1 > 103.641135794 ))
6 0.1 0.1 peak 36 volume 6.47849 ppm1 6.130 ppm2 2.092
 
! ############### n15noe.37 folded
assi (attr store1 < 6.18 and attr store1 > 6.08 )
     ((attr store1 < 7.328 and attr store1 > 7.268 ) and bondedto
      (attr store1 < 104.024135794  and attr store1 > 103.224135794 ))
6 0.1 0.1 peak 37 volume 10.18313 ppm1 7.298 ppm2 6.130
 
! ############### n15noe.38 folded
assi (attr store1 < 7.352 and attr store1 > 7.252 )
     ((attr store1 < 6.158 and attr store1 > 6.098 ) and bondedto
      (attr store1 < 104.048135794  and attr store1 > 103.248135794 ))
6 0.1 0.1 peak 38 volume 8.04728 ppm1 6.128 ppm2 7.302
 
! ############### n15noe.39 NOT folded
assi (attr store1 < 8.456 and attr store1 > 8.356 ) 
     ((attr store1 < 8.87 and attr store1 > 8.81 ) and bondedto
      (attr store1 < 127.645  and attr store1 > 126.845 ))
6 0.1 0.1 peak 39 volume 10.86361 ppm1 8.840 ppm2 8.406
 
! ############### n15noe.40 NOT folded
assi (attr store1 < 3.661 and attr store1 > 3.561 ) 
     ((attr store1 < 8.871 and attr store1 > 8.811 ) and bondedto
      (attr store1 < 127.636  and attr store1 > 126.836 ))
6 0.1 0.1 peak 40 volume 4.53372 ppm1 8.841 ppm2 3.611
 
! ############### n15noe.41 NOT folded
assi (attr store1 < 2.101 and attr store1 > 2.001 ) 
     ((attr store1 < 8.869 and attr store1 > 8.809 ) and bondedto
      (attr store1 < 127.629  and attr store1 > 126.829 ))
6 0.1 0.1 peak 41 volume 15.42157 ppm1 8.839 ppm2 2.051
 
! ############### n15noe.42 NOT folded
assi (attr store1 < 1.165 and attr store1 > 1.065 ) 
     ((attr store1 < 8.871 and attr store1 > 8.811 ) and bondedto
      (attr store1 < 127.652  and attr store1 > 126.852 ))
6 0.1 0.1 peak 42 volume 5.61392 ppm1 8.841 ppm2 1.115
 
! ############### n15noe.43 NOT folded
assi (attr store1 < 8.469 and attr store1 > 8.369 ) 
     ((attr store1 < 8.866 and attr store1 > 8.806 ) and bondedto
      (attr store1 < 127.608  and attr store1 > 126.808 ))
6 0.1 0.1 peak 43 volume 10.86756 ppm1 8.836 ppm2 8.419
 
! ############### n15noe.44 NOT folded
assi (attr store1 < 8.414 and attr store1 > 8.314 ) 
     ((attr store1 < 8.867 and attr store1 > 8.807 ) and bondedto
      (attr store1 < 127.642  and attr store1 > 126.842 ))
6 0.1 0.1 peak 44 volume 10.51398 ppm1 8.837 ppm2 8.364
 
! ############### n15noe.45 NOT folded
assi (attr store1 < 3.981 and attr store1 > 3.881 ) 
     ((attr store1 < 8.866 and attr store1 > 8.806 ) and bondedto
      (attr store1 < 127.637  and attr store1 > 126.837 ))
6 0.1 0.1 peak 45 volume 6.43130 ppm1 8.836 ppm2 3.931
 
! ############### n15noe.46 NOT folded
assi (attr store1 < 3.588 and attr store1 > 3.488 ) 
     ((attr store1 < 8.868 and attr store1 > 8.808 ) and bondedto
      (attr store1 < 127.646  and attr store1 > 126.846 ))
6 0.1 0.1 peak 46 volume 9.12727 ppm1 8.838 ppm2 3.538
 
! ############### n15noe.47 NOT folded
assi (attr store1 < 2.465 and attr store1 > 2.365 ) 
     ((attr store1 < 8.867 and attr store1 > 8.807 ) and bondedto
      (attr store1 < 127.66  and attr store1 > 126.86 ))
6 0.1 0.1 peak 47 volume 6.57453 ppm1 8.837 ppm2 2.415
 
! ############### n15noe.48 NOT folded
assi (attr store1 < 1.995 and attr store1 > 1.895 ) 
     ((attr store1 < 8.865 and attr store1 > 8.805 ) and bondedto
      (attr store1 < 127.628  and attr store1 > 126.828 ))
6 0.1 0.1 peak 48 volume 5.94853 ppm1 8.835 ppm2 1.945
 
! ############### n15noe.49 NOT folded
assi (attr store1 < 1.895 and attr store1 > 1.795 ) 
     ((attr store1 < 8.866 and attr store1 > 8.806 ) and bondedto
      (attr store1 < 127.633  and attr store1 > 126.833 ))
6 0.1 0.1 peak 49 volume 10.44391 ppm1 8.836 ppm2 1.845
 
! ############### n15noe.50 NOT folded
assi (attr store1 < 0.998 and attr store1 > 0.898 ) 
     ((attr store1 < 8.866 and attr store1 > 8.806 ) and bondedto
      (attr store1 < 127.611  and attr store1 > 126.811 ))
6 0.1 0.1 peak 50 volume 28.13118 ppm1 8.836 ppm2 0.948
 
! ############### n15noe.51 NOT folded
assi (attr store1 < 0.939 and attr store1 > 0.839 ) 
     ((attr store1 < 8.867 and attr store1 > 8.807 ) and bondedto
      (attr store1 < 127.64  and attr store1 > 126.84 ))
6 0.1 0.1 peak 51 volume 14.27017 ppm1 8.837 ppm2 0.889
 
! ############### n15noe.52 NOT folded
assi (attr store1 < 2.997 and attr store1 > 2.897 ) 
     ((attr store1 < 8.97 and attr store1 > 8.91 ) and bondedto
      (attr store1 < 127.041  and attr store1 > 126.241 ))
6 0.1 0.1 peak 52 volume 3.52720 ppm1 8.940 ppm2 2.947
 
! ############### n15noe.53 NOT folded
assi (attr store1 < 3.525 and attr store1 > 3.425 ) 
     ((attr store1 < 8.965 and attr store1 > 8.905 ) and bondedto
      (attr store1 < 127.05  and attr store1 > 126.25 ))
6 0.1 0.1 peak 53 volume 3.84297 ppm1 8.935 ppm2 3.475
 
! ############### n15noe.54 NOT folded
assi (attr store1 < 4.788 and attr store1 > 4.688 ) 
     ((attr store1 < 8.969 and attr store1 > 8.909 ) and bondedto
      (attr store1 < 126.968  and attr store1 > 126.168 ))
6 0.1 0.1 peak 54 volume 5.02059 ppm1 8.939 ppm2 4.738
 
! ############### n15noe.55 NOT folded
assi (attr store1 < 3.934 and attr store1 > 3.834 ) 
     ((attr store1 < 8.971 and attr store1 > 8.911 ) and bondedto
      (attr store1 < 127.009  and attr store1 > 126.209 ))
6 0.1 0.1 peak 55 volume 6.20092 ppm1 8.941 ppm2 3.884
 
! ############### n15noe.56 NOT folded
assi (attr store1 < 3.69 and attr store1 > 3.59 ) 
     ((attr store1 < 8.969 and attr store1 > 8.909 ) and bondedto
      (attr store1 < 126.968  and attr store1 > 126.168 ))
6 0.1 0.1 peak 56 volume 8.84544 ppm1 8.939 ppm2 3.640
 
! ############### n15noe.57 NOT folded
assi (attr store1 < 1.571 and attr store1 > 1.471 ) 
     ((attr store1 < 8.97 and attr store1 > 8.91 ) and bondedto
      (attr store1 < 126.963  and attr store1 > 126.163 ))
6 0.1 0.1 peak 57 volume 3.74868 ppm1 8.940 ppm2 1.521
 
! ############### n15noe.58 NOT folded
assi (attr store1 < 8.428 and attr store1 > 8.328 ) 
     ((attr store1 < 8.965 and attr store1 > 8.905 ) and bondedto
      (attr store1 < 126.974  and attr store1 > 126.174 ))
6 0.1 0.1 peak 58 volume 25.12877 ppm1 8.935 ppm2 8.378
 
! ############### n15noe.59 NOT folded
assi (attr store1 < 2.97 and attr store1 > 2.87 ) 
     ((attr store1 < 8.964 and attr store1 > 8.904 ) and bondedto
      (attr store1 < 126.976  and attr store1 > 126.176 ))
6 0.1 0.1 peak 59 volume 4.32047 ppm1 8.934 ppm2 2.920
 
! ############### n15noe.60 NOT folded
assi (attr store1 < 2.59 and attr store1 > 2.49 ) 
     ((attr store1 < 8.963 and attr store1 > 8.903 ) and bondedto
      (attr store1 < 127.011  and attr store1 > 126.211 ))
6 0.1 0.1 peak 60 volume 4.19116 ppm1 8.933 ppm2 2.540
 
! ############### n15noe.61 NOT folded
assi (attr store1 < 2.23 and attr store1 > 2.13 ) 
     ((attr store1 < 8.966 and attr store1 > 8.906 ) and bondedto
      (attr store1 < 126.992  and attr store1 > 126.192 ))
6 0.1 0.1 peak 61 volume 20.35783 ppm1 8.936 ppm2 2.180
 
! ############### n15noe.62 NOT folded
assi (attr store1 < 1.132 and attr store1 > 1.032 ) 
     ((attr store1 < 8.966 and attr store1 > 8.906 ) and bondedto
      (attr store1 < 126.983  and attr store1 > 126.183 ))
6 0.1 0.1 peak 62 volume 25.88250 ppm1 8.936 ppm2 1.082
 
! ############### n15noe.63 NOT folded
assi ( resid 58  and name HD2%)
     ( resid 22  and name HN  )
6 0.1 0.1 peak 63 volume 14.22132 ppm1 8.936 ppm2 0.979
 
! ############### n15noe.64 NOT folded
assi (attr store1 < 0.845 and attr store1 > 0.745 ) 
     ((attr store1 < 8.966 and attr store1 > 8.906 ) and bondedto
      (attr store1 < 126.994  and attr store1 > 126.194 ))
6 0.1 0.1 peak 64 volume 12.20269 ppm1 8.936 ppm2 0.795
 
! ############### n15noe.65 NOT folded
assi (attr store1 < 2.616 and attr store1 > 2.516 ) 
     ((attr store1 < 8.62 and attr store1 > 8.56 ) and bondedto
      (attr store1 < 126.958  and attr store1 > 126.158 ))
6 0.1 0.1 peak 65 volume 3.64288 ppm1 8.590 ppm2 2.566
 
! ############### n15noe.66 NOT folded
assi (attr store1 < 2.587 and attr store1 > 2.487 ) 
     ((attr store1 < 8.628 and attr store1 > 8.568 ) and bondedto
      (attr store1 < 126.898  and attr store1 > 126.098 ))
6 0.1 0.1 peak 66 volume 3.85820 ppm1 8.598 ppm2 2.537
 
! ############### n15noe.67 NOT folded
assi (attr store1 < 1.175 and attr store1 > 1.075 ) 
     ((attr store1 < 8.622 and attr store1 > 8.562 ) and bondedto
      (attr store1 < 126.854  and attr store1 > 126.054 ))
6 0.1 0.1 peak 67 volume 4.34818 ppm1 8.592 ppm2 1.125
 
! ############### n15noe.68 NOT folded
assi (attr store1 < 1.009 and attr store1 > 0.909 ) 
     ((attr store1 < 8.622 and attr store1 > 8.562 ) and bondedto
      (attr store1 < 126.849  and attr store1 > 126.049 ))
6 0.1 0.1 peak 68 volume 3.80881 ppm1 8.592 ppm2 0.959
 
! ############### n15noe.69 NOT folded
assi (attr store1 < 8.036 and attr store1 > 7.936 ) 
     ((attr store1 < 8.617 and attr store1 > 8.557 ) and bondedto
      (attr store1 < 126.894  and attr store1 > 126.094 ))
6 0.1 0.1 peak 69 volume 15.71463 ppm1 8.587 ppm2 7.986
 
! ############### n15noe.70 NOT folded
assi (attr store1 < 4.807 and attr store1 > 4.707 ) 
     ((attr store1 < 8.618 and attr store1 > 8.558 ) and bondedto
      (attr store1 < 126.871  and attr store1 > 126.071 ))
6 0.1 0.1 peak 70 volume 34.26010 ppm1 8.588 ppm2 4.757
 
! ############### n15noe.71 NOT folded
assi (attr store1 < 4.74 and attr store1 > 4.64 ) 
     ((attr store1 < 8.619 and attr store1 > 8.559 ) and bondedto
      (attr store1 < 126.859  and attr store1 > 126.059 ))
6 0.1 0.1 peak 71 volume 27.37200 ppm1 8.589 ppm2 4.690
 
! ############### n15noe.72 NOT folded
assi (attr store1 < 4.167 and attr store1 > 4.067 ) 
     ((attr store1 < 8.619 and attr store1 > 8.559 ) and bondedto
      (attr store1 < 126.865  and attr store1 > 126.065 ))
6 0.1 0.1 peak 72 volume 12.96073 ppm1 8.589 ppm2 4.117
 
! ############### n15noe.73 NOT folded
assi (attr store1 < 3.091 and attr store1 > 2.991 ) 
     ((attr store1 < 8.618 and attr store1 > 8.558 ) and bondedto
      (attr store1 < 126.875  and attr store1 > 126.075 ))
6 0.1 0.1 peak 73 volume 5.04993 ppm1 8.588 ppm2 3.041
 
! ############### n15noe.74 NOT folded
assi (attr store1 < 1.883 and attr store1 > 1.783 ) 
     ((attr store1 < 8.616 and attr store1 > 8.556 ) and bondedto
      (attr store1 < 126.869  and attr store1 > 126.069 ))
6 0.1 0.1 peak 74 volume 35.81235 ppm1 8.586 ppm2 1.833
 
! ############### n15noe.75 NOT folded
assi (attr store1 < 1.773 and attr store1 > 1.673 ) 
     ((attr store1 < 8.621 and attr store1 > 8.561 ) and bondedto
      (attr store1 < 126.87  and attr store1 > 126.07 ))
6 0.1 0.1 peak 75 volume 8.75562 ppm1 8.591 ppm2 1.723
 
! ############### n15noe.76 NOT folded
assi (attr store1 < 1.66 and attr store1 > 1.56 ) 
     ((attr store1 < 8.615 and attr store1 > 8.555 ) and bondedto
      (attr store1 < 126.877  and attr store1 > 126.077 ))
6 0.1 0.1 peak 76 volume 10.46599 ppm1 8.585 ppm2 1.610
 
! ############### n15noe.77 NOT folded
assi (attr store1 < 1.59 and attr store1 > 1.49 ) 
     ((attr store1 < 8.615 and attr store1 > 8.555 ) and bondedto
      (attr store1 < 126.874  and attr store1 > 126.074 ))
6 0.1 0.1 peak 77 volume 7.66477 ppm1 8.585 ppm2 1.540
 
! ############### n15noe.78 NOT folded
assi (attr store1 < 3.971 and attr store1 > 3.871 ) 
     ((attr store1 < 7.952 and attr store1 > 7.892 ) and bondedto
      (attr store1 < 126.651  and attr store1 > 125.851 ))
6 0.1 0.1 peak 78 volume 7.33058 ppm1 7.922 ppm2 3.921
 
! ############### n15noe.79 NOT folded
assi (attr store1 < 8.562 and attr store1 > 8.462 ) 
     ((attr store1 < 7.95 and attr store1 > 7.89 ) and bondedto
      (attr store1 < 126.672  and attr store1 > 125.872 ))
6 0.1 0.1 peak 79 volume 25.56131 ppm1 7.920 ppm2 8.512
 
! ############### n15noe.80 NOT folded
assi (attr store1 < 8.483 and attr store1 > 8.383 ) 
     ((attr store1 < 7.95 and attr store1 > 7.89 ) and bondedto
      (attr store1 < 126.68  and attr store1 > 125.88 ))
6 0.1 0.1 peak 80 volume 20.29379 ppm1 7.920 ppm2 8.433
 
! ############### n15noe.81 NOT folded
assi (attr store1 < 4.405 and attr store1 > 4.305 ) 
     ((attr store1 < 7.95 and attr store1 > 7.89 ) and bondedto
      (attr store1 < 126.679  and attr store1 > 125.879 ))
6 0.1 0.1 peak 81 volume 21.79009 ppm1 7.920 ppm2 4.355
 
! ############### n15noe.82 NOT folded
assi (attr store1 < 4.342 and attr store1 > 4.242 ) 
     ((attr store1 < 7.95 and attr store1 > 7.89 ) and bondedto
      (attr store1 < 126.667  and attr store1 > 125.867 ))
6 0.1 0.1 peak 82 volume 19.71171 ppm1 7.920 ppm2 4.292
 
! ############### n15noe.83 NOT folded
assi (attr store1 < 4.087 and attr store1 > 3.987 ) 
     ((attr store1 < 7.951 and attr store1 > 7.891 ) and bondedto
      (attr store1 < 126.659  and attr store1 > 125.859 ))
6 0.1 0.1 peak 83 volume 8.77567 ppm1 7.921 ppm2 4.037
 
! ############### n15noe.84 NOT folded
assi (attr store1 < 1.613 and attr store1 > 1.513 ) 
     ((attr store1 < 7.95 and attr store1 > 7.89 ) and bondedto
      (attr store1 < 126.671  and attr store1 > 125.871 ))
6 0.1 0.1 peak 84 volume 51.45801 ppm1 7.920 ppm2 1.563
 
! ############### n15noe.85 NOT folded
assi (attr store1 < 1.367 and attr store1 > 1.267 ) 
     ((attr store1 < 7.948 and attr store1 > 7.888 ) and bondedto
      (attr store1 < 126.659  and attr store1 > 125.859 ))
6 0.1 0.1 peak 85 volume 10.39265 ppm1 7.918 ppm2 1.317
 
! ############### n15noe.86 NOT folded
assi (attr store1 < 4.753 and attr store1 > 4.653 ) 
     ((attr store1 < 8.559 and attr store1 > 8.499 ) and bondedto
      (attr store1 < 126.38  and attr store1 > 125.58 ))
6 0.1 0.1 peak 86 volume 4.75269 ppm1 8.529 ppm2 4.703
 
! ############### n15noe.87 NOT folded
assi ( resid  73  and name HG21)
     ( resid 135  and name HN  )
6 0.1 0.1 peak 87 volume 5.13497 ppm1 8.246 ppm2 1.305
 
! ############### n15noe.88 NOT folded
assi (attr store1 < 1.08 and attr store1 > 0.98 ) 
     ((attr store1 < 8.267 and attr store1 > 8.207 ) and bondedto
      (attr store1 < 125.895  and attr store1 > 125.095 ))
6 0.1 0.1 peak 88 volume 3.88153 ppm1 8.237 ppm2 1.030
 
! ############### n15noe.89 NOT folded
assi (attr store1 < 2.64 and attr store1 > 2.54 ) 
     ((attr store1 < 8.277 and attr store1 > 8.217 ) and bondedto
      (attr store1 < 125.799  and attr store1 > 124.999 ))
6 0.1 0.1 peak 89 volume 5.33084 ppm1 8.247 ppm2 2.590
 
! ############### n15noe.90 NOT folded
assi (attr store1 < 8.704 and attr store1 > 8.604 ) 
     ((attr store1 < 8.272 and attr store1 > 8.212 ) and bondedto
      (attr store1 < 125.811  and attr store1 > 125.011 ))
6 0.1 0.1 peak 90 volume 18.00711 ppm1 8.242 ppm2 8.654
 
! ############### n15noe.91 NOT folded
assi (attr store1 < 4.233 and attr store1 > 4.133 ) 
     ((attr store1 < 8.271 and attr store1 > 8.211 ) and bondedto
      (attr store1 < 125.796  and attr store1 > 124.996 ))
6 0.1 0.1 peak 91 volume 18.83686 ppm1 8.241 ppm2 4.183
 
! ############### n15noe.92 NOT folded
assi (attr store1 < 4.147 and attr store1 > 4.047 ) 
     ((attr store1 < 8.272 and attr store1 > 8.212 ) and bondedto
      (attr store1 < 125.776  and attr store1 > 124.976 ))
6 0.1 0.1 peak 92 volume 10.07487 ppm1 8.242 ppm2 4.097
 
! ############### n15noe.93 NOT folded
assi (attr store1 < 2.335 and attr store1 > 2.235 ) 
     ((attr store1 < 8.273 and attr store1 > 8.213 ) and bondedto
      (attr store1 < 125.808  and attr store1 > 125.008 ))
6 0.1 0.1 peak 93 volume 14.34963 ppm1 8.243 ppm2 2.285
 
! ############### n15noe.94 NOT folded
assi (attr store1 < 2.258 and attr store1 > 2.158 ) 
     ((attr store1 < 8.272 and attr store1 > 8.212 ) and bondedto
      (attr store1 < 125.793  and attr store1 > 124.993 ))
6 0.1 0.1 peak 94 volume 12.91375 ppm1 8.242 ppm2 2.208
 
! ############### n15noe.95 NOT folded
assi (attr store1 < 2.094 and attr store1 > 1.994 ) 
     ((attr store1 < 8.271 and attr store1 > 8.211 ) and bondedto
      (attr store1 < 125.803  and attr store1 > 125.003 ))
6 0.1 0.1 peak 95 volume 6.90398 ppm1 8.241 ppm2 2.044
 
! ############### n15noe.96 NOT folded
assi (attr store1 < 2.014 and attr store1 > 1.914 ) 
     ((attr store1 < 8.274 and attr store1 > 8.214 ) and bondedto
      (attr store1 < 125.807  and attr store1 > 125.007 ))
6 0.1 0.1 peak 96 volume 5.97267 ppm1 8.244 ppm2 1.964
 
! ############### n15noe.97 NOT folded
assi (attr store1 < 0.997 and attr store1 > 0.897 ) 
     ((attr store1 < 8.272 and attr store1 > 8.212 ) and bondedto
      (attr store1 < 125.776  and attr store1 > 124.976 ))
6 0.1 0.1 peak 97 volume 9.53155 ppm1 8.242 ppm2 0.947
 
! ############### n15noe.98 NOT folded
assi (attr store1 < 7.859 and attr store1 > 7.759 ) 
     ((attr store1 < 8.269 and attr store1 > 8.209 ) and bondedto
      (attr store1 < 125.844  and attr store1 > 125.044 ))
6 0.1 0.1 peak 98 volume 5.86001 ppm1 8.239 ppm2 7.809
 
! ############### n15noe.99 NOT folded
assi (attr store1 < 4.036 and attr store1 > 3.936 ) 
     ((attr store1 < 8.266 and attr store1 > 8.206 ) and bondedto
      (attr store1 < 125.808  and attr store1 > 125.008 ))
6 0.1 0.1 peak 99 volume 5.78882 ppm1 8.236 ppm2 3.986
 
! ############### n15noe.100 NOT folded
assi (attr store1 < 3.808 and attr store1 > 3.708 ) 
     ((attr store1 < 8.268 and attr store1 > 8.208 ) and bondedto
      (attr store1 < 125.81  and attr store1 > 125.01 ))
6 0.1 0.1 peak 100 volume 9.98286 ppm1 8.238 ppm2 3.758
 
! ############### n15noe.101 NOT folded
assi (attr store1 < 1.827 and attr store1 > 1.727 ) 
     ((attr store1 < 8.27 and attr store1 > 8.21 ) and bondedto
      (attr store1 < 125.793  and attr store1 > 124.993 ))
6 0.1 0.1 peak 101 volume 48.01977 ppm1 8.240 ppm2 1.777
 
! ############### n15noe.102 NOT folded
assi (attr store1 < 1.74 and attr store1 > 1.64 ) 
     ((attr store1 < 8.269 and attr store1 > 8.209 ) and bondedto
      (attr store1 < 125.792  and attr store1 > 124.992 ))
6 0.1 0.1 peak 102 volume 7.58771 ppm1 8.239 ppm2 1.690
 
! ############### n15noe.103 NOT folded
assi (attr store1 < 0.888 and attr store1 > 0.788 ) 
     ((attr store1 < 8.269 and attr store1 > 8.209 ) and bondedto
      (attr store1 < 125.778  and attr store1 > 124.978 ))
6 0.1 0.1 peak 103 volume 5.59202 ppm1 8.239 ppm2 0.838
 
! ############### n15noe.104 NOT folded
assi (attr store1 < 2.585 and attr store1 > 2.485 ) 
     ((attr store1 < 8.276 and attr store1 > 8.216 ) and bondedto
      (attr store1 < 125.721  and attr store1 > 124.921 ))
6 0.1 0.1 peak 104 volume 5.09998 ppm1 8.246 ppm2 2.535
 
! ############### n15noe.105 NOT folded
assi (attr store1 < 1.974 and attr store1 > 1.874 ) 
     ((attr store1 < 8.277 and attr store1 > 8.217 ) and bondedto
      (attr store1 < 125.72  and attr store1 > 124.92 ))
6 0.1 0.1 peak 105 volume 5.84566 ppm1 8.247 ppm2 1.924
 
! ############### n15noe.106 NOT folded
assi (attr store1 < 1.903 and attr store1 > 1.803 ) 
     ((attr store1 < 8.276 and attr store1 > 8.216 ) and bondedto
      (attr store1 < 125.719  and attr store1 > 124.919 ))
6 0.1 0.1 peak 106 volume 7.41546 ppm1 8.246 ppm2 1.853
 
! ############### n15noe.107 NOT folded
assi (attr store1 < 2.586 and attr store1 > 2.486 ) 
     ((attr store1 < 8.269 and attr store1 > 8.209 ) and bondedto
      (attr store1 < 125.736  and attr store1 > 124.936 ))
6 0.1 0.1 peak 107 volume 5.20017 ppm1 8.239 ppm2 2.536
 
! ############### n15noe.108 NOT folded
assi (attr store1 < 1.911 and attr store1 > 1.811 ) 
     ((attr store1 < 8.268 and attr store1 > 8.208 ) and bondedto
      (attr store1 < 125.741  and attr store1 > 124.941 ))
6 0.1 0.1 peak 108 volume 7.57534 ppm1 8.238 ppm2 1.861
 
! ############### n15noe.109 NOT folded
assi (attr store1 < 4.133 and attr store1 > 4.033 ) 
     ((attr store1 < 7.724 and attr store1 > 7.664 ) and bondedto
      (attr store1 < 125.303  and attr store1 > 124.503 ))
6 0.1 0.1 peak 109 volume 5.19522 ppm1 7.694 ppm2 4.083
 
! ############### n15noe.110 NOT folded
assi (attr store1 < 1.256 and attr store1 > 1.156 ) 
     ((attr store1 < 8.486 and attr store1 > 8.426 ) and bondedto
      (attr store1 < 125.228  and attr store1 > 124.428 ))
6 0.1 0.1 peak 110 volume 5.10085 ppm1 8.456 ppm2 1.206
 
! ############### n15noe.111 NOT folded
assi (attr store1 < 1.177 and attr store1 > 1.077 ) 
     ((attr store1 < 8.486 and attr store1 > 8.426 ) and bondedto
      (attr store1 < 125.236  and attr store1 > 124.436 ))
6 0.1 0.1 peak 111 volume 12.02624 ppm1 8.456 ppm2 1.127
 
! ############### n15noe.112 NOT folded
assi (attr store1 < 4.544 and attr store1 > 4.444 ) 
     ((attr store1 < 8.48 and attr store1 > 8.42 ) and bondedto
      (attr store1 < 125.244  and attr store1 > 124.444 ))
6 0.1 0.1 peak 112 volume 12.31555 ppm1 8.450 ppm2 4.494
 
! ############### n15noe.113 NOT folded
assi (attr store1 < 1.008 and attr store1 > 0.908 ) 
     ((attr store1 < 8.48 and attr store1 > 8.42 ) and bondedto
      (attr store1 < 125.244  and attr store1 > 124.444 ))
6 0.1 0.1 peak 113 volume 12.01586 ppm1 8.450 ppm2 0.958
 
! ############### n15noe.114 NOT folded
assi (attr store1 < 8.184 and attr store1 > 8.084 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 125.222  and attr store1 > 124.422 ))
6 0.1 0.1 peak 114 volume 15.53522 ppm1 8.446 ppm2 8.134
 
! ############### n15noe.115 NOT folded
assi (attr store1 < 7.856 and attr store1 > 7.756 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 125.24  and attr store1 > 124.44 ))
6 0.1 0.1 peak 115 volume 3.87520 ppm1 8.446 ppm2 7.806
 
! ############### n15noe.116 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 125.206  and attr store1 > 124.406 ))
6 0.1 0.1 peak 116 volume 4.90101 ppm1 8.447 ppm2 4.687
 
! ############### n15noe.117 NOT folded
assi (attr store1 < 4.049 and attr store1 > 3.949 ) 
     ((attr store1 < 8.475 and attr store1 > 8.415 ) and bondedto
      (attr store1 < 125.23  and attr store1 > 124.43 ))
6 0.1 0.1 peak 117 volume 6.36469 ppm1 8.445 ppm2 3.999
 
! ############### n15noe.118 NOT folded
assi (attr store1 < 3.862 and attr store1 > 3.762 ) 
     ((attr store1 < 8.475 and attr store1 > 8.415 ) and bondedto
      (attr store1 < 125.274  and attr store1 > 124.474 ))
6 0.1 0.1 peak 118 volume 5.97299 ppm1 8.445 ppm2 3.812
 
! ############### n15noe.119 NOT folded
assi (attr store1 < 3.44 and attr store1 > 3.34 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 125.241  and attr store1 > 124.441 ))
6 0.1 0.1 peak 119 volume 12.14605 ppm1 8.446 ppm2 3.390
 
! ############### n15noe.120 NOT folded
assi (attr store1 < 2.913 and attr store1 > 2.813 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 125.226  and attr store1 > 124.426 ))
6 0.1 0.1 peak 120 volume 4.74209 ppm1 8.446 ppm2 2.863
 
! ############### n15noe.121 NOT folded
assi (attr store1 < 1.599 and attr store1 > 1.499 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 125.232  and attr store1 > 124.432 ))
6 0.1 0.1 peak 121 volume 4.40663 ppm1 8.447 ppm2 1.549
 
! ############### n15noe.122 NOT folded
assi (attr store1 < 1.09 and attr store1 > 0.99 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 125.238  and attr store1 > 124.438 ))
6 0.1 0.1 peak 122 volume 35.16987 ppm1 8.446 ppm2 1.040
 
! ############### n15noe.123 NOT folded
assi (attr store1 < 0.883 and attr store1 > 0.783 ) 
     ((attr store1 < 8.475 and attr store1 > 8.415 ) and bondedto
      (attr store1 < 125.235  and attr store1 > 124.435 ))
6 0.1 0.1 peak 123 volume 20.99556 ppm1 8.445 ppm2 0.833
 
! ############### n15noe.124 NOT folded
assi (attr store1 < 2.267 and attr store1 > 2.167 ) 
     ((attr store1 < 8.471 and attr store1 > 8.411 ) and bondedto
      (attr store1 < 125.218  and attr store1 > 124.418 ))
6 0.1 0.1 peak 124 volume 21.24500 ppm1 8.441 ppm2 2.217
 
! ############### n15noe.125 NOT folded
assi (attr store1 < 1.467 and attr store1 > 1.367 ) 
     ((attr store1 < 8.472 and attr store1 > 8.412 ) and bondedto
      (attr store1 < 125.259  and attr store1 > 124.459 ))
6 0.1 0.1 peak 125 volume 4.00686 ppm1 8.442 ppm2 1.417
 
! ############### n15noe.126 NOT folded
assi (attr store1 < 1.157 and attr store1 > 1.057 ) 
     ((attr store1 < 8.471 and attr store1 > 8.411 ) and bondedto
      (attr store1 < 125.249  and attr store1 > 124.449 ))
6 0.1 0.1 peak 126 volume 12.99548 ppm1 8.441 ppm2 1.107
 
! ############### n15noe.127 NOT folded
assi (attr store1 < 1.001 and attr store1 > 0.901 ) 
     ((attr store1 < 8.471 and attr store1 > 8.411 ) and bondedto
      (attr store1 < 125.257  and attr store1 > 124.457 ))
6 0.1 0.1 peak 127 volume 12.71208 ppm1 8.441 ppm2 0.951
 
! ############### n15noe.128 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 8.145 and attr store1 > 8.085 ) and bondedto
      (attr store1 < 125.262  and attr store1 > 124.462 ))
6 0.1 0.1 peak 128 volume 11.72797 ppm1 8.115 ppm2 4.687
 
! ############### n15noe.129 NOT folded
assi (attr store1 < 4.051 and attr store1 > 3.951 ) 
     ((attr store1 < 7.726 and attr store1 > 7.666 ) and bondedto
      (attr store1 < 125.221  and attr store1 > 124.421 ))
6 0.1 0.1 peak 129 volume 10.01862 ppm1 7.696 ppm2 4.001
 
! ############### n15noe.130 NOT folded
assi (attr store1 < 3.848 and attr store1 > 3.748 ) 
     ((attr store1 < 7.728 and attr store1 > 7.668 ) and bondedto
      (attr store1 < 125.26  and attr store1 > 124.46 ))
6 0.1 0.1 peak 130 volume 7.33428 ppm1 7.698 ppm2 3.798
 
! ############### n15noe.131 NOT folded
assi (attr store1 < 1.157 and attr store1 > 1.057 ) 
     ((attr store1 < 7.728 and attr store1 > 7.668 ) and bondedto
      (attr store1 < 125.243  and attr store1 > 124.443 ))
6 0.1 0.1 peak 131 volume 5.14381 ppm1 7.698 ppm2 1.107
 
! ############### n15noe.132 NOT folded
assi (attr store1 < 0.85 and attr store1 > 0.75 ) 
     ((attr store1 < 7.727 and attr store1 > 7.667 ) and bondedto
      (attr store1 < 125.229  and attr store1 > 124.429 ))
6 0.1 0.1 peak 132 volume 5.39741 ppm1 7.697 ppm2 0.800
 
! ############### n15noe.133 NOT folded
assi (attr store1 < 8.48 and attr store1 > 8.38 ) 
     ((attr store1 < 7.725 and attr store1 > 7.665 ) and bondedto
      (attr store1 < 125.227  and attr store1 > 124.427 ))
6 0.1 0.1 peak 133 volume 17.33133 ppm1 7.695 ppm2 8.430
 
! ############### n15noe.134 NOT folded
assi (attr store1 < 8.391 and attr store1 > 8.291 ) 
     ((attr store1 < 7.725 and attr store1 > 7.665 ) and bondedto
      (attr store1 < 125.227  and attr store1 > 124.427 ))
6 0.1 0.1 peak 134 volume 15.63193 ppm1 7.695 ppm2 8.341
 
! ############### n15noe.135 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 7.722 and attr store1 > 7.662 ) and bondedto
      (attr store1 < 125.199  and attr store1 > 124.399 ))
6 0.1 0.1 peak 135 volume 4.10641 ppm1 7.692 ppm2 4.688
 
! ############### n15noe.136 NOT folded
assi (attr store1 < 4.23 and attr store1 > 4.13 ) 
     ((attr store1 < 7.723 and attr store1 > 7.663 ) and bondedto
      (attr store1 < 125.225  and attr store1 > 124.425 ))
6 0.1 0.1 peak 136 volume 17.78817 ppm1 7.693 ppm2 4.180
 
! ############### n15noe.137 NOT folded
assi (attr store1 < 3.681 and attr store1 > 3.581 ) 
     ((attr store1 < 7.726 and attr store1 > 7.666 ) and bondedto
      (attr store1 < 125.232  and attr store1 > 124.432 ))
6 0.1 0.1 peak 137 volume 9.17710 ppm1 7.696 ppm2 3.631
 
! ############### n15noe.138 NOT folded
assi (attr store1 < 2.224 and attr store1 > 2.124 ) 
     ((attr store1 < 7.725 and attr store1 > 7.665 ) and bondedto
      (attr store1 < 125.233  and attr store1 > 124.433 ))
6 0.1 0.1 peak 138 volume 20.39575 ppm1 7.695 ppm2 2.174
 
! ############### n15noe.139 NOT folded
assi (attr store1 < 1.505 and attr store1 > 1.405 ) 
     ((attr store1 < 7.724 and attr store1 > 7.664 ) and bondedto
      (attr store1 < 125.225  and attr store1 > 124.425 ))
6 0.1 0.1 peak 139 volume 25.37828 ppm1 7.694 ppm2 1.455
 
! ############### n15noe.140 NOT folded
assi (attr store1 < 1.023 and attr store1 > 0.923 ) 
     ((attr store1 < 7.723 and attr store1 > 7.663 ) and bondedto
      (attr store1 < 125.231  and attr store1 > 124.431 ))
6 0.1 0.1 peak 140 volume 18.08035 ppm1 7.693 ppm2 0.973
 
! ############### n15noe.141 NOT folded
assi (attr store1 < 0.938 and attr store1 > 0.838 ) 
     ((attr store1 < 7.724 and attr store1 > 7.664 ) and bondedto
      (attr store1 < 125.225  and attr store1 > 124.425 ))
6 0.1 0.1 peak 141 volume 19.16153 ppm1 7.694 ppm2 0.888
 
! ############### n15noe.142 NOT folded
assi (attr store1 < 4.515 and attr store1 > 4.415 ) 
     ((attr store1 < 8.085 and attr store1 > 8.025 ) and bondedto
      (attr store1 < 124.824  and attr store1 > 124.024 ))
6 0.1 0.1 peak 142 volume 10.83743 ppm1 8.055 ppm2 4.465
 
! ############### n15noe.143 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 8.271 and attr store1 > 8.211 ) and bondedto
      (attr store1 < 124.777  and attr store1 > 123.977 ))
6 0.1 0.1 peak 143 volume 13.86993 ppm1 8.241 ppm2 4.688
 
! ############### n15noe.144 NOT folded
assi (attr store1 < 4.566 and attr store1 > 4.466 ) 
     ((attr store1 < 8.274 and attr store1 > 8.214 ) and bondedto
      (attr store1 < 124.791  and attr store1 > 123.991 ))
6 0.1 0.1 peak 144 volume 3.68685 ppm1 8.244 ppm2 4.516
 
! ############### n15noe.145 NOT folded
assi (attr store1 < 4.238 and attr store1 > 4.138 ) 
     ((attr store1 < 8.383 and attr store1 > 8.323 ) and bondedto
      (attr store1 < 124.622  and attr store1 > 123.822 ))
6 0.1 0.1 peak 145 volume 5.82145 ppm1 8.353 ppm2 4.188
 
! ############### n15noe.146 NOT folded
assi (attr store1 < 4.559 and attr store1 > 4.459 ) 
     ((attr store1 < 8.131 and attr store1 > 8.071 ) and bondedto
      (attr store1 < 124.629  and attr store1 > 123.829 ))
6 0.1 0.1 peak 146 volume 35.98884 ppm1 8.101 ppm2 4.509
 
! ############### n15noe.147 NOT folded
assi (attr store1 < 3.988 and attr store1 > 3.888 ) 
     ((attr store1 < 8.132 and attr store1 > 8.072 ) and bondedto
      (attr store1 < 124.645  and attr store1 > 123.845 ))
6 0.1 0.1 peak 147 volume 12.83422 ppm1 8.102 ppm2 3.938
 
! ############### n15noe.148 NOT folded
assi (attr store1 < 1.95 and attr store1 > 1.85 ) 
     ((attr store1 < 8.131 and attr store1 > 8.071 ) and bondedto
      (attr store1 < 124.627  and attr store1 > 123.827 ))
6 0.1 0.1 peak 148 volume 13.05501 ppm1 8.101 ppm2 1.900
 
! ############### n15noe.149 NOT folded
assi (attr store1 < 1.855 and attr store1 > 1.755 ) 
     ((attr store1 < 8.131 and attr store1 > 8.071 ) and bondedto
      (attr store1 < 124.625  and attr store1 > 123.825 ))
6 0.1 0.1 peak 149 volume 27.05201 ppm1 8.101 ppm2 1.805
 
! ############### n15noe.150 NOT folded
assi (attr store1 < 1.77 and attr store1 > 1.67 ) 
     ((attr store1 < 8.129 and attr store1 > 8.069 ) and bondedto
      (attr store1 < 124.643  and attr store1 > 123.843 ))
6 0.1 0.1 peak 150 volume 17.01697 ppm1 8.099 ppm2 1.720
 
! ############### n15noe.151 NOT folded
assi (attr store1 < 4.726 and attr store1 > 4.626 ) 
     ((attr store1 < 8.126 and attr store1 > 8.066 ) and bondedto
      (attr store1 < 124.636  and attr store1 > 123.836 ))
6 0.1 0.1 peak 151 volume 329.07590 ppm1 8.096 ppm2 4.676
 
! ############### n15noe.152 NOT folded
assi (attr store1 < 4.736 and attr store1 > 4.636 ) 
     ((attr store1 < 8.017 and attr store1 > 7.957 ) and bondedto
      (attr store1 < 124.645  and attr store1 > 123.845 ))
6 0.1 0.1 peak 152 volume 43.70503 ppm1 7.987 ppm2 4.686
 
! ############### n15noe.153 NOT folded
assi (attr store1 < 4.507 and attr store1 > 4.407 ) 
     ((attr store1 < 8.018 and attr store1 > 7.958 ) and bondedto
      (attr store1 < 124.646  and attr store1 > 123.846 ))
6 0.1 0.1 peak 153 volume 139.48615 ppm1 7.988 ppm2 4.457
 
! ############### n15noe.154 NOT folded
assi (attr store1 < 3.298 and attr store1 > 3.198 ) 
     ((attr store1 < 8.018 and attr store1 > 7.958 ) and bondedto
      (attr store1 < 124.612  and attr store1 > 123.812 ))
6 0.1 0.1 peak 154 volume 7.44403 ppm1 7.988 ppm2 3.248
 
! ############### n15noe.155 NOT folded
assi (attr store1 < 2.365 and attr store1 > 2.265 ) 
     ((attr store1 < 8.021 and attr store1 > 7.961 ) and bondedto
      (attr store1 < 124.642  and attr store1 > 123.842 ))
6 0.1 0.1 peak 155 volume 8.91708 ppm1 7.991 ppm2 2.315
 
! ############### n15noe.156 NOT folded
assi (attr store1 < 1.989 and attr store1 > 1.889 ) 
     ((attr store1 < 8.018 and attr store1 > 7.958 ) and bondedto
      (attr store1 < 124.645  and attr store1 > 123.845 ))
6 0.1 0.1 peak 156 volume 11.23573 ppm1 7.988 ppm2 1.939
 
! ############### n15noe.157 NOT folded
assi (attr store1 < 3.209 and attr store1 > 3.109 ) 
     ((attr store1 < 8.017 and attr store1 > 7.957 ) and bondedto
      (attr store1 < 124.646  and attr store1 > 123.846 ))
6 0.1 0.1 peak 157 volume 11.86639 ppm1 7.987 ppm2 3.159
 
! ############### n15noe.158 NOT folded
assi (attr store1 < 1.482 and attr store1 > 1.382 ) 
     ((attr store1 < 7.845 and attr store1 > 7.785 ) and bondedto
      (attr store1 < 124.67  and attr store1 > 123.87 ))
6 0.1 0.1 peak 158 volume 8.29471 ppm1 7.815 ppm2 1.432
 
! ############### n15noe.159 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 8.378 and attr store1 > 8.318 ) and bondedto
      (attr store1 < 124.554  and attr store1 > 123.754 ))
6 0.1 0.1 peak 159 volume 10.55687 ppm1 8.348 ppm2 4.687
 
! ############### n15noe.160 NOT folded
assi (attr store1 < 2.09 and attr store1 > 1.99 ) 
     ((attr store1 < 8.016 and attr store1 > 7.956 ) and bondedto
      (attr store1 < 124.591  and attr store1 > 123.791 ))
6 0.1 0.1 peak 160 volume 4.06565 ppm1 7.986 ppm2 2.040
 
! ############### n15noe.161 NOT folded
assi (attr store1 < 8.853 and attr store1 > 8.753 ) 
     ((attr store1 < 7.845 and attr store1 > 7.785 ) and bondedto
      (attr store1 < 124.557  and attr store1 > 123.757 ))
6 0.1 0.1 peak 161 volume 19.67549 ppm1 7.815 ppm2 8.803
 
! ############### n15noe.162 NOT folded
assi (attr store1 < 8.717 and attr store1 > 8.617 ) 
     ((attr store1 < 7.845 and attr store1 > 7.785 ) and bondedto
      (attr store1 < 124.541  and attr store1 > 123.741 ))
6 0.1 0.1 peak 162 volume 4.40351 ppm1 7.815 ppm2 8.667
 
! ############### n15noe.163 NOT folded
assi (attr store1 < 8.576 and attr store1 > 8.476 ) 
     ((attr store1 < 7.844 and attr store1 > 7.784 ) and bondedto
      (attr store1 < 124.551  and attr store1 > 123.751 ))
6 0.1 0.1 peak 163 volume 20.27204 ppm1 7.814 ppm2 8.526
 
! ############### n15noe.164 NOT folded
assi (attr store1 < 1.912 and attr store1 > 1.812 ) 
     ((attr store1 < 7.844 and attr store1 > 7.784 ) and bondedto
      (attr store1 < 124.532  and attr store1 > 123.732 ))
6 0.1 0.1 peak 164 volume 14.14771 ppm1 7.814 ppm2 1.862
 
! ############### n15noe.165 NOT folded
assi (attr store1 < 1.822 and attr store1 > 1.722 ) 
     ((attr store1 < 7.846 and attr store1 > 7.786 ) and bondedto
      (attr store1 < 124.53  and attr store1 > 123.73 ))
6 0.1 0.1 peak 165 volume 8.74884 ppm1 7.816 ppm2 1.772
 
! ############### n15noe.166 NOT folded
assi (attr store1 < 1.563 and attr store1 > 1.463 ) 
     ((attr store1 < 7.842 and attr store1 > 7.782 ) and bondedto
      (attr store1 < 124.581  and attr store1 > 123.781 ))
6 0.1 0.1 peak 166 volume 51.11295 ppm1 7.812 ppm2 1.513
 
! ############### n15noe.167 NOT folded
assi (attr store1 < 0.942 and attr store1 > 0.842 ) 
     ((attr store1 < 7.845 and attr store1 > 7.785 ) and bondedto
      (attr store1 < 124.544  and attr store1 > 123.744 ))
6 0.1 0.1 peak 167 volume 13.14717 ppm1 7.815 ppm2 0.892
 
! ############### n15noe.168 NOT folded
assi (attr store1 < 3.549 and attr store1 > 3.449 ) 
     ((attr store1 < 7.84 and attr store1 > 7.78 ) and bondedto
      (attr store1 < 124.533  and attr store1 > 123.733 ))
6 0.1 0.1 peak 168 volume 6.40876 ppm1 7.810 ppm2 3.499
 
! ############### n15noe.169 NOT folded
assi (attr store1 < 1.482 and attr store1 > 1.382 ) 
     ((attr store1 < 7.834 and attr store1 > 7.774 ) and bondedto
      (attr store1 < 124.567  and attr store1 > 123.767 ))
6 0.1 0.1 peak 169 volume 8.05040 ppm1 7.804 ppm2 1.432
 
! ############### n15noe.170 NOT folded
assi (attr store1 < 1.474 and attr store1 > 1.374 ) 
     ((attr store1 < 7.85 and attr store1 > 7.79 ) and bondedto
      (attr store1 < 124.45  and attr store1 > 123.65 ))
6 0.1 0.1 peak 170 volume 9.05200 ppm1 7.820 ppm2 1.424
 
! ############### n15noe.171 NOT folded
assi (attr store1 < 1.104 and attr store1 > 1.004 ) 
     ((attr store1 < 7.848 and attr store1 > 7.788 ) and bondedto
      (attr store1 < 124.507  and attr store1 > 123.707 ))
6 0.1 0.1 peak 171 volume 5.12151 ppm1 7.818 ppm2 1.054
 
! ############### n15noe.172 NOT folded
assi (attr store1 < 4.078 and attr store1 > 3.978 ) 
     ((attr store1 < 7.846 and attr store1 > 7.786 ) and bondedto
      (attr store1 < 124.496  and attr store1 > 123.696 ))
6 0.1 0.1 peak 172 volume 6.02668 ppm1 7.816 ppm2 4.028
 
! ############### n15noe.173 NOT folded
assi (attr store1 < 1.637 and attr store1 > 1.537 ) 
     ((attr store1 < 8.743 and attr store1 > 8.683 ) and bondedto
      (attr store1 < 124.354  and attr store1 > 123.554 ))
6 0.1 0.1 peak 173 volume 5.37536 ppm1 8.713 ppm2 1.587
 
! ############### n15noe.174 NOT folded
assi (attr store1 < 1.538 and attr store1 > 1.438 ) 
     ((attr store1 < 8.743 and attr store1 > 8.683 ) and bondedto
      (attr store1 < 124.388  and attr store1 > 123.588 ))
6 0.1 0.1 peak 174 volume 3.95440 ppm1 8.713 ppm2 1.488
 
! ############### n15noe.175 NOT folded
assi (attr store1 < 8.496 and attr store1 > 8.396 ) 
     ((attr store1 < 8.741 and attr store1 > 8.681 ) and bondedto
      (attr store1 < 124.359  and attr store1 > 123.559 ))
6 0.1 0.1 peak 175 volume 16.76072 ppm1 8.711 ppm2 8.446
 
! ############### n15noe.176 NOT folded
assi (attr store1 < 8.366 and attr store1 > 8.266 ) 
     ((attr store1 < 8.74 and attr store1 > 8.68 ) and bondedto
      (attr store1 < 124.384  and attr store1 > 123.584 ))
6 0.1 0.1 peak 176 volume 19.80536 ppm1 8.710 ppm2 8.316
 
! ############### n15noe.177 NOT folded
assi (attr store1 < 7.671 and attr store1 > 7.571 ) 
     ((attr store1 < 8.74 and attr store1 > 8.68 ) and bondedto
      (attr store1 < 124.387  and attr store1 > 123.587 ))
6 0.1 0.1 peak 177 volume 3.63023 ppm1 8.710 ppm2 7.621
 
! ############### n15noe.178 NOT folded
assi (attr store1 < 4.522 and attr store1 > 4.422 ) 
     ((attr store1 < 8.738 and attr store1 > 8.678 ) and bondedto
      (attr store1 < 124.384  and attr store1 > 123.584 ))
6 0.1 0.1 peak 178 volume 17.20937 ppm1 8.708 ppm2 4.472
 
! ############### n15noe.179 NOT folded
assi (attr store1 < 4.371 and attr store1 > 4.271 ) 
     ((attr store1 < 8.739 and attr store1 > 8.679 ) and bondedto
      (attr store1 < 124.388  and attr store1 > 123.588 ))
6 0.1 0.1 peak 179 volume 4.71822 ppm1 8.709 ppm2 4.321
 
! ############### n15noe.180 NOT folded
assi (attr store1 < 4.306 and attr store1 > 4.206 ) 
     ((attr store1 < 8.74 and attr store1 > 8.68 ) and bondedto
      (attr store1 < 124.402  and attr store1 > 123.602 ))
6 0.1 0.1 peak 180 volume 8.89876 ppm1 8.710 ppm2 4.256
 
! ############### n15noe.181 NOT folded
assi (attr store1 < 4.23 and attr store1 > 4.13 ) 
     ((attr store1 < 8.739 and attr store1 > 8.679 ) and bondedto
      (attr store1 < 124.398  and attr store1 > 123.598 ))
6 0.1 0.1 peak 181 volume 12.72625 ppm1 8.709 ppm2 4.180
 
! ############### n15noe.182 NOT folded
assi (attr store1 < 4.151 and attr store1 > 4.051 ) 
     ((attr store1 < 8.74 and attr store1 > 8.68 ) and bondedto
      (attr store1 < 124.4  and attr store1 > 123.6 ))
6 0.1 0.1 peak 182 volume 20.92734 ppm1 8.710 ppm2 4.101
 
! ############### n15noe.183 NOT folded
assi (attr store1 < 3.401 and attr store1 > 3.301 ) 
     ((attr store1 < 8.739 and attr store1 > 8.679 ) and bondedto
      (attr store1 < 124.379  and attr store1 > 123.579 ))
6 0.1 0.1 peak 183 volume 13.79751 ppm1 8.709 ppm2 3.351
 
! ############### n15noe.184 NOT folded
assi (attr store1 < 2.66 and attr store1 > 2.56 ) 
     ((attr store1 < 8.739 and attr store1 > 8.679 ) and bondedto
      (attr store1 < 124.41  and attr store1 > 123.61 ))
6 0.1 0.1 peak 184 volume 11.73351 ppm1 8.709 ppm2 2.610
 
! ############### n15noe.185 NOT folded
assi (attr store1 < 1.724 and attr store1 > 1.624 ) 
     ((attr store1 < 8.739 and attr store1 > 8.679 ) and bondedto
      (attr store1 < 124.379  and attr store1 > 123.579 ))
6 0.1 0.1 peak 185 volume 6.50575 ppm1 8.709 ppm2 1.674
 
! ############### n15noe.186 NOT folded
assi (attr store1 < 1.107 and attr store1 > 1.007 ) 
     ((attr store1 < 8.74 and attr store1 > 8.68 ) and bondedto
      (attr store1 < 124.374  and attr store1 > 123.574 ))
6 0.1 0.1 peak 186 volume 8.14044 ppm1 8.710 ppm2 1.057
 
! ############### n15noe.187 NOT folded
assi (attr store1 < 0.972 and attr store1 > 0.872 ) 
     ((attr store1 < 8.739 and attr store1 > 8.679 ) and bondedto
      (attr store1 < 124.389  and attr store1 > 123.589 ))
6 0.1 0.1 peak 187 volume 10.81322 ppm1 8.709 ppm2 0.922
 
! ############### n15noe.188 NOT folded
assi (attr store1 < 4.731 and attr store1 > 4.631 ) 
     ((attr store1 < 8.735 and attr store1 > 8.675 ) and bondedto
      (attr store1 < 124.341  and attr store1 > 123.541 ))
6 0.1 0.1 peak 188 volume 3.94430 ppm1 8.705 ppm2 4.681
 
! ############### n15noe.189 NOT folded
assi (attr store1 < 1.003 and attr store1 > 0.903 ) 
     ((attr store1 < 8.397 and attr store1 > 8.337 ) and bondedto
      (attr store1 < 124.316  and attr store1 > 123.516 ))
6 0.1 0.1 peak 189 volume 17.87663 ppm1 8.367 ppm2 0.953
 
! ############### n15noe.190 NOT folded
assi (attr store1 < 2.454 and attr store1 > 2.354 ) 
     ((attr store1 < 7.844 and attr store1 > 7.784 ) and bondedto
      (attr store1 < 124.382  and attr store1 > 123.582 ))
6 0.1 0.1 peak 190 volume 4.44038 ppm1 7.814 ppm2 2.404
 
! ############### n15noe.191 NOT folded
assi (attr store1 < 7.687 and attr store1 > 7.587 ) 
     ((attr store1 < 7.837 and attr store1 > 7.777 ) and bondedto
      (attr store1 < 124.404  and attr store1 > 123.604 ))
6 0.1 0.1 peak 191 volume 6.08797 ppm1 7.807 ppm2 7.637
 
! ############### n15noe.192 NOT folded
assi (attr store1 < 4.173 and attr store1 > 4.073 ) 
     ((attr store1 < 7.838 and attr store1 > 7.778 ) and bondedto
      (attr store1 < 124.383  and attr store1 > 123.583 ))
6 0.1 0.1 peak 192 volume 8.50889 ppm1 7.808 ppm2 4.123
 
! ############### n15noe.193 NOT folded
assi (attr store1 < 0.888 and attr store1 > 0.788 ) 
     ((attr store1 < 7.839 and attr store1 > 7.779 ) and bondedto
      (attr store1 < 124.375  and attr store1 > 123.575 ))
6 0.1 0.1 peak 193 volume 7.26986 ppm1 7.809 ppm2 0.838
 
! ############### n15noe.194 NOT folded
assi (attr store1 < 0.814 and attr store1 > 0.714 ) 
     ((attr store1 < 7.839 and attr store1 > 7.779 ) and bondedto
      (attr store1 < 124.363  and attr store1 > 123.563 ))
6 0.1 0.1 peak 194 volume 6.40229 ppm1 7.809 ppm2 0.764
 
! ############### n15noe.195 NOT folded
assi (attr store1 < 2.122 and attr store1 > 2.022 ) 
     ((attr store1 < 7.834 and attr store1 > 7.774 ) and bondedto
      (attr store1 < 124.323  and attr store1 > 123.523 ))
6 0.1 0.1 peak 195 volume 5.69101 ppm1 7.804 ppm2 2.072
 
! ############### n15noe.196 NOT folded
assi (attr store1 < 4.642 and attr store1 > 4.542 ) 
     ((attr store1 < 7.093 and attr store1 > 7.033 ) and bondedto
      (attr store1 < 124.365  and attr store1 > 123.565 ))
6 0.1 0.1 peak 196 volume 3.95171 ppm1 7.063 ppm2 4.592
 
! ############### n15noe.197 NOT folded
assi (attr store1 < 4.211 and attr store1 > 4.111 ) 
     ((attr store1 < 7.091 and attr store1 > 7.031 ) and bondedto
      (attr store1 < 124.321  and attr store1 > 123.521 ))
6 0.1 0.1 peak 197 volume 4.07260 ppm1 7.061 ppm2 4.161
 
! ############### n15noe.198 NOT folded
assi (attr store1 < 1.73 and attr store1 > 1.63 ) 
     ((attr store1 < 7.092 and attr store1 > 7.032 ) and bondedto
      (attr store1 < 124.339  and attr store1 > 123.539 ))
6 0.1 0.1 peak 198 volume 7.60291 ppm1 7.062 ppm2 1.680
 
! ############### n15noe.199 NOT folded
assi (attr store1 < 9.485 and attr store1 > 9.385 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 124.276  and attr store1 > 123.476 ))
6 0.1 0.1 peak 199 volume 15.32314 ppm1 8.368 ppm2 9.435
 
! ############### n15noe.200 NOT folded
assi (attr store1 < 8.23 and attr store1 > 8.13 ) 
     ((attr store1 < 8.397 and attr store1 > 8.337 ) and bondedto
      (attr store1 < 124.28  and attr store1 > 123.48 ))
6 0.1 0.1 peak 200 volume 19.67717 ppm1 8.367 ppm2 8.180
 
! ############### n15noe.201 NOT folded
assi (attr store1 < 3.953 and attr store1 > 3.853 ) 
     ((attr store1 < 8.399 and attr store1 > 8.339 ) and bondedto
      (attr store1 < 124.279  and attr store1 > 123.479 ))
6 0.1 0.1 peak 201 volume 6.25487 ppm1 8.369 ppm2 3.903
 
! ############### n15noe.202 NOT folded
assi (attr store1 < 3.815 and attr store1 > 3.715 ) 
     ((attr store1 < 8.399 and attr store1 > 8.339 ) and bondedto
      (attr store1 < 124.279  and attr store1 > 123.479 ))
6 0.1 0.1 peak 202 volume 13.79836 ppm1 8.369 ppm2 3.765
 
! ############### n15noe.203 NOT folded
assi (attr store1 < 2.445 and attr store1 > 2.345 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 124.264  and attr store1 > 123.464 ))
6 0.1 0.1 peak 203 volume 4.96144 ppm1 8.368 ppm2 2.395
 
! ############### n15noe.204 NOT folded
assi (attr store1 < 2.351 and attr store1 > 2.251 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 124.301  and attr store1 > 123.501 ))
6 0.1 0.1 peak 204 volume 16.05954 ppm1 8.368 ppm2 2.301
 
! ############### n15noe.205 NOT folded
assi (attr store1 < 2.227 and attr store1 > 2.127 ) 
     ((attr store1 < 8.399 and attr store1 > 8.339 ) and bondedto
      (attr store1 < 124.269  and attr store1 > 123.469 ))
6 0.1 0.1 peak 205 volume 23.62334 ppm1 8.369 ppm2 2.177
 
! ############### n15noe.206 NOT folded
assi (attr store1 < 1.611 and attr store1 > 1.511 ) 
     ((attr store1 < 8.4 and attr store1 > 8.34 ) and bondedto
      (attr store1 < 124.287  and attr store1 > 123.487 ))
6 0.1 0.1 peak 206 volume 3.70465 ppm1 8.370 ppm2 1.561
 
! ############### n15noe.207 NOT folded
assi (attr store1 < 1.287 and attr store1 > 1.187 ) 
     ((attr store1 < 8.4 and attr store1 > 8.34 ) and bondedto
      (attr store1 < 124.295  and attr store1 > 123.495 ))
6 0.1 0.1 peak 207 volume 10.39054 ppm1 8.370 ppm2 1.237
 
! ############### n15noe.208 NOT folded
assi (attr store1 < 1.166 and attr store1 > 1.066 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 124.252  and attr store1 > 123.452 ))
6 0.1 0.1 peak 208 volume 8.86795 ppm1 8.368 ppm2 1.116
 
! ############### n15noe.209 NOT folded
assi (attr store1 < 0.894 and attr store1 > 0.794 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 124.276  and attr store1 > 123.476 ))
6 0.1 0.1 peak 209 volume 15.85588 ppm1 8.368 ppm2 0.844
 
! ############### n15noe.210 NOT folded
assi (attr store1 < 1.802 and attr store1 > 1.702 ) 
     ((attr store1 < 8.394 and attr store1 > 8.334 ) and bondedto
      (attr store1 < 124.275  and attr store1 > 123.475 ))
6 0.1 0.1 peak 210 volume 16.65299 ppm1 8.364 ppm2 1.752
 
! ############### n15noe.211 NOT folded
assi (attr store1 < 8.156 and attr store1 > 8.056 ) 
     ((attr store1 < 7.837 and attr store1 > 7.777 ) and bondedto
      (attr store1 < 124.259  and attr store1 > 123.459 ))
6 0.1 0.1 peak 211 volume 6.29563 ppm1 7.807 ppm2 8.106
 
! ############### n15noe.212 NOT folded
assi (attr store1 < 1.163 and attr store1 > 1.063 ) 
     ((attr store1 < 7.838 and attr store1 > 7.778 ) and bondedto
      (attr store1 < 124.252  and attr store1 > 123.452 ))
6 0.1 0.1 peak 212 volume 3.58606 ppm1 7.808 ppm2 1.113
 
! ############### n15noe.213 NOT folded
assi (attr store1 < 8.415 and attr store1 > 8.315 ) 
     ((attr store1 < 7.833 and attr store1 > 7.773 ) and bondedto
      (attr store1 < 124.271  and attr store1 > 123.471 ))
6 0.1 0.1 peak 213 volume 26.78020 ppm1 7.803 ppm2 8.365
 
! ############### n15noe.214 NOT folded
assi (attr store1 < 8.352 and attr store1 > 8.252 ) 
     ((attr store1 < 7.833 and attr store1 > 7.773 ) and bondedto
      (attr store1 < 124.276  and attr store1 > 123.476 ))
6 0.1 0.1 peak 214 volume 21.60345 ppm1 7.803 ppm2 8.302
 
! ############### n15noe.215 NOT folded
assi (attr store1 < 8.258 and attr store1 > 8.158 ) 
     ((attr store1 < 7.835 and attr store1 > 7.775 ) and bondedto
      (attr store1 < 124.266  and attr store1 > 123.466 ))
6 0.1 0.1 peak 215 volume 3.76781 ppm1 7.805 ppm2 8.208
 
! ############### n15noe.216 NOT folded
assi (attr store1 < 4.289 and attr store1 > 4.189 ) 
     ((attr store1 < 7.833 and attr store1 > 7.773 ) and bondedto
      (attr store1 < 124.297  and attr store1 > 123.497 ))
6 0.1 0.1 peak 216 volume 27.90395 ppm1 7.803 ppm2 4.239
 
! ############### n15noe.217 NOT folded
assi (attr store1 < 2.294 and attr store1 > 2.194 ) 
     ((attr store1 < 7.833 and attr store1 > 7.773 ) and bondedto
      (attr store1 < 124.268  and attr store1 > 123.468 ))
6 0.1 0.1 peak 217 volume 17.30087 ppm1 7.803 ppm2 2.244
 
! ############### n15noe.218 NOT folded
assi (attr store1 < 1.758 and attr store1 > 1.658 ) 
     ((attr store1 < 7.832 and attr store1 > 7.772 ) and bondedto
      (attr store1 < 124.264  and attr store1 > 123.464 ))
6 0.1 0.1 peak 218 volume 11.39827 ppm1 7.802 ppm2 1.708
 
! ############### n15noe.219 NOT folded
assi (attr store1 < 1.672 and attr store1 > 1.572 ) 
     ((attr store1 < 7.832 and attr store1 > 7.772 ) and bondedto
      (attr store1 < 124.286  and attr store1 > 123.486 ))
6 0.1 0.1 peak 219 volume 61.39825 ppm1 7.802 ppm2 1.622
 
! ############### n15noe.220 NOT folded
assi (attr store1 < 0.989 and attr store1 > 0.889 ) 
     ((attr store1 < 7.833 and attr store1 > 7.773 ) and bondedto
      (attr store1 < 124.303  and attr store1 > 123.503 ))
6 0.1 0.1 peak 220 volume 12.84120 ppm1 7.803 ppm2 0.939
 
! ############### n15noe.221 NOT folded
assi (attr store1 < 8.16 and attr store1 > 8.06 ) 
     ((attr store1 < 7.828 and attr store1 > 7.768 ) and bondedto
      (attr store1 < 124.254  and attr store1 > 123.454 ))
6 0.1 0.1 peak 221 volume 7.84526 ppm1 7.798 ppm2 8.110
 
! ############### n15noe.222 NOT folded
assi (attr store1 < 3.612 and attr store1 > 3.512 ) 
     ((attr store1 < 7.829 and attr store1 > 7.769 ) and bondedto
      (attr store1 < 124.279  and attr store1 > 123.479 ))
6 0.1 0.1 peak 222 volume 8.84441 ppm1 7.799 ppm2 3.562
 
! ############### n15noe.223 NOT folded
assi (attr store1 < 2.856 and attr store1 > 2.756 ) 
     ((attr store1 < 7.83 and attr store1 > 7.77 ) and bondedto
      (attr store1 < 124.288  and attr store1 > 123.488 ))
6 0.1 0.1 peak 223 volume 7.94286 ppm1 7.800 ppm2 2.806
 
! ############### n15noe.224 NOT folded
assi (attr store1 < 2.767 and attr store1 > 2.667 ) 
     ((attr store1 < 7.828 and attr store1 > 7.768 ) and bondedto
      (attr store1 < 124.263  and attr store1 > 123.463 ))
6 0.1 0.1 peak 224 volume 6.24812 ppm1 7.798 ppm2 2.717
 
! ############### n15noe.225 NOT folded
assi (attr store1 < 2.222 and attr store1 > 2.122 ) 
     ((attr store1 < 7.83 and attr store1 > 7.77 ) and bondedto
      (attr store1 < 124.259  and attr store1 > 123.459 ))
6 0.1 0.1 peak 225 volume 16.58564 ppm1 7.800 ppm2 2.172
 
! ############### n15noe.226 NOT folded
assi (attr store1 < 4.732 and attr store1 > 4.632 ) 
     ((attr store1 < 7.094 and attr store1 > 7.034 ) and bondedto
      (attr store1 < 124.248  and attr store1 > 123.448 ))
6 0.1 0.1 peak 226 volume 26.58972 ppm1 7.064 ppm2 4.682
 
! ############### n15noe.227 NOT folded
assi (attr store1 < 4.003 and attr store1 > 3.903 ) 
     ((attr store1 < 7.097 and attr store1 > 7.037 ) and bondedto
      (attr store1 < 124.254  and attr store1 > 123.454 ))
6 0.1 0.1 peak 227 volume 10.27052 ppm1 7.067 ppm2 3.953
 
! ############### n15noe.228 NOT folded
assi (attr store1 < 3.654 and attr store1 > 3.554 ) 
     ((attr store1 < 7.095 and attr store1 > 7.035 ) and bondedto
      (attr store1 < 124.259  and attr store1 > 123.459 ))
6 0.1 0.1 peak 228 volume 8.80164 ppm1 7.065 ppm2 3.604
 
! ############### n15noe.229 NOT folded
assi (attr store1 < 2.279 and attr store1 > 2.179 ) 
     ((attr store1 < 7.097 and attr store1 > 7.037 ) and bondedto
      (attr store1 < 124.275  and attr store1 > 123.475 ))
6 0.1 0.1 peak 229 volume 8.61568 ppm1 7.067 ppm2 2.229
 
! ############### n15noe.230 NOT folded
assi (attr store1 < 2.101 and attr store1 > 2.001 ) 
     ((attr store1 < 7.098 and attr store1 > 7.038 ) and bondedto
      (attr store1 < 124.238  and attr store1 > 123.438 ))
6 0.1 0.1 peak 230 volume 17.77186 ppm1 7.068 ppm2 2.051
 
! ############### n15noe.231 NOT folded
assi (attr store1 < 1.888 and attr store1 > 1.788 ) 
     ((attr store1 < 7.097 and attr store1 > 7.037 ) and bondedto
      (attr store1 < 124.257  and attr store1 > 123.457 ))
6 0.1 0.1 peak 231 volume 4.09115 ppm1 7.067 ppm2 1.838
 
! ############### n15noe.232 NOT folded
assi (attr store1 < 1.653 and attr store1 > 1.553 ) 
     ((attr store1 < 7.096 and attr store1 > 7.036 ) and bondedto
      (attr store1 < 124.25  and attr store1 > 123.45 ))
6 0.1 0.1 peak 232 volume 63.17184 ppm1 7.066 ppm2 1.603
 
! ############### n15noe.233 NOT folded
assi (attr store1 < 4.806 and attr store1 > 4.706 ) 
     ((attr store1 < 7.091 and attr store1 > 7.031 ) and bondedto
      (attr store1 < 124.238  and attr store1 > 123.438 ))
6 0.1 0.1 peak 233 volume 11.99926 ppm1 7.061 ppm2 4.756
 
! ############### n15noe.234 NOT folded
assi (attr store1 < 3.918 and attr store1 > 3.818 ) 
     ((attr store1 < 7.093 and attr store1 > 7.033 ) and bondedto
      (attr store1 < 124.25  and attr store1 > 123.45 ))
6 0.1 0.1 peak 234 volume 7.89297 ppm1 7.063 ppm2 3.868
 
! ############### n15noe.235 NOT folded
assi (attr store1 < 3.846 and attr store1 > 3.746 ) 
     ((attr store1 < 7.094 and attr store1 > 7.034 ) and bondedto
      (attr store1 < 124.242  and attr store1 > 123.442 ))
6 0.1 0.1 peak 235 volume 17.34275 ppm1 7.064 ppm2 3.796
 
! ############### n15noe.236 NOT folded
assi (attr store1 < 1.576 and attr store1 > 1.476 ) 
     ((attr store1 < 7.092 and attr store1 > 7.032 ) and bondedto
      (attr store1 < 124.27  and attr store1 > 123.47 ))
6 0.1 0.1 peak 236 volume 6.84914 ppm1 7.062 ppm2 1.526
 
! ############### n15noe.237 NOT folded
assi (attr store1 < 2.034 and attr store1 > 1.934 ) 
     ((attr store1 < 7.097 and attr store1 > 7.037 ) and bondedto
      (attr store1 < 124.218  and attr store1 > 123.418 ))
6 0.1 0.1 peak 237 volume 15.18668 ppm1 7.067 ppm2 1.984
 
! ############### n15noe.238 NOT folded
assi (attr store1 < 0.974 and attr store1 > 0.874 ) 
     ((attr store1 < 8.495 and attr store1 > 8.435 ) and bondedto
      (attr store1 < 124.08  and attr store1 > 123.28 ))
6 0.1 0.1 peak 238 volume 3.87169 ppm1 8.465 ppm2 0.924
 
! ############### n15noe.239 NOT folded
assi (attr store1 < 4.051 and attr store1 > 3.951 ) 
     ((attr store1 < 8.348 and attr store1 > 8.288 ) and bondedto
      (attr store1 < 124.078  and attr store1 > 123.278 ))
6 0.1 0.1 peak 239 volume 4.18394 ppm1 8.318 ppm2 4.001
 
! ############### n15noe.240 NOT folded
assi (attr store1 < 3.877 and attr store1 > 3.777 ) 
     ((attr store1 < 8.349 and attr store1 > 8.289 ) and bondedto
      (attr store1 < 124.035  and attr store1 > 123.235 ))
6 0.1 0.1 peak 240 volume 3.64670 ppm1 8.319 ppm2 3.827
 
! ############### n15noe.241 NOT folded
assi (attr store1 < 1.261 and attr store1 > 1.161 ) 
     ((attr store1 < 8.333 and attr store1 > 8.273 ) and bondedto
      (attr store1 < 124.049  and attr store1 > 123.249 ))
6 0.1 0.1 peak 241 volume 3.57551 ppm1 8.303 ppm2 1.211
 
! ############### n15noe.242 NOT folded
assi (attr store1 < 1.719 and attr store1 > 1.619 ) 
     ((attr store1 < 8.611 and attr store1 > 8.551 ) and bondedto
      (attr store1 < 123.974  and attr store1 > 123.174 ))
6 0.1 0.1 peak 242 volume 4.77708 ppm1 8.581 ppm2 1.669
 
! ############### n15noe.243 NOT folded
assi (attr store1 < 8.092 and attr store1 > 7.992 ) 
     ((attr store1 < 8.607 and attr store1 > 8.547 ) and bondedto
      (attr store1 < 123.962  and attr store1 > 123.162 ))
6 0.1 0.1 peak 243 volume 10.58271 ppm1 8.577 ppm2 8.042
 
! ############### n15noe.244 NOT folded
assi (attr store1 < 4.218 and attr store1 > 4.118 ) 
     ((attr store1 < 8.607 and attr store1 > 8.547 ) and bondedto
      (attr store1 < 123.944  and attr store1 > 123.144 ))
6 0.1 0.1 peak 244 volume 8.23261 ppm1 8.577 ppm2 4.168
 
! ############### n15noe.245 NOT folded
assi (attr store1 < 2.397 and attr store1 > 2.297 ) 
     ((attr store1 < 8.609 and attr store1 > 8.549 ) and bondedto
      (attr store1 < 123.963  and attr store1 > 123.163 ))
6 0.1 0.1 peak 245 volume 7.83393 ppm1 8.579 ppm2 2.347
 
! ############### n15noe.246 NOT folded
assi (attr store1 < 2.151 and attr store1 > 2.051 ) 
     ((attr store1 < 8.606 and attr store1 > 8.546 ) and bondedto
      (attr store1 < 123.96  and attr store1 > 123.16 ))
6 0.1 0.1 peak 246 volume 12.53683 ppm1 8.576 ppm2 2.101
 
! ############### n15noe.247 NOT folded
assi (attr store1 < 1.8 and attr store1 > 1.7 ) 
     ((attr store1 < 8.61 and attr store1 > 8.55 ) and bondedto
      (attr store1 < 123.985  and attr store1 > 123.185 ))
6 0.1 0.1 peak 247 volume 5.00036 ppm1 8.580 ppm2 1.750
 
! ############### n15noe.248 NOT folded
assi (attr store1 < 1.485 and attr store1 > 1.385 ) 
     ((attr store1 < 8.605 and attr store1 > 8.545 ) and bondedto
      (attr store1 < 123.959  and attr store1 > 123.159 ))
6 0.1 0.1 peak 248 volume 6.49098 ppm1 8.575 ppm2 1.435
 
! ############### n15noe.249 NOT folded
assi (attr store1 < 1.057 and attr store1 > 0.957 ) 
     ((attr store1 < 8.607 and attr store1 > 8.547 ) and bondedto
      (attr store1 < 123.96  and attr store1 > 123.16 ))
6 0.1 0.1 peak 249 volume 6.83136 ppm1 8.577 ppm2 1.007
 
! ############### n15noe.250 NOT folded
assi (attr store1 < 4.176 and attr store1 > 4.076 ) 
     ((attr store1 < 8.604 and attr store1 > 8.544 ) and bondedto
      (attr store1 < 123.942  and attr store1 > 123.142 ))
6 0.1 0.1 peak 250 volume 9.08474 ppm1 8.574 ppm2 4.126
 
! ############### n15noe.251 NOT folded
assi (attr store1 < 1.919 and attr store1 > 1.819 ) 
     ((attr store1 < 8.604 and attr store1 > 8.544 ) and bondedto
      (attr store1 < 123.944  and attr store1 > 123.144 ))
6 0.1 0.1 peak 251 volume 19.65210 ppm1 8.574 ppm2 1.869
 
! ############### n15noe.252 NOT folded
assi (attr store1 < 4.384 and attr store1 > 4.284 ) 
     ((attr store1 < 8.348 and attr store1 > 8.288 ) and bondedto
      (attr store1 < 124.002  and attr store1 > 123.202 ))
6 0.1 0.1 peak 252 volume 17.81731 ppm1 8.318 ppm2 4.334
 
! ############### n15noe.253 NOT folded
assi (attr store1 < 4.297 and attr store1 > 4.197 ) 
     ((attr store1 < 8.351 and attr store1 > 8.291 ) and bondedto
      (attr store1 < 124.005  and attr store1 > 123.205 ))
6 0.1 0.1 peak 253 volume 4.94344 ppm1 8.321 ppm2 4.247
 
! ############### n15noe.254 NOT folded
assi (attr store1 < 1.942 and attr store1 > 1.842 ) 
     ((attr store1 < 8.348 and attr store1 > 8.288 ) and bondedto
      (attr store1 < 123.997  and attr store1 > 123.197 ))
6 0.1 0.1 peak 254 volume 7.36265 ppm1 8.318 ppm2 1.892
 
! ############### n15noe.255 NOT folded
assi (attr store1 < 1.719 and attr store1 > 1.619 ) 
     ((attr store1 < 8.348 and attr store1 > 8.288 ) and bondedto
      (attr store1 < 124.008  and attr store1 > 123.208 ))
6 0.1 0.1 peak 255 volume 12.05567 ppm1 8.318 ppm2 1.669
 
! ############### n15noe.256 NOT folded
assi (attr store1 < 1.629 and attr store1 > 1.529 ) 
     ((attr store1 < 8.348 and attr store1 > 8.288 ) and bondedto
      (attr store1 < 124.01  and attr store1 > 123.21 ))
6 0.1 0.1 peak 256 volume 15.20843 ppm1 8.318 ppm2 1.579
 
! ############### n15noe.257 NOT folded
assi (attr store1 < 0.971 and attr store1 > 0.871 ) 
     ((attr store1 < 8.348 and attr store1 > 8.288 ) and bondedto
      (attr store1 < 124.008  and attr store1 > 123.208 ))
6 0.1 0.1 peak 257 volume 12.83833 ppm1 8.318 ppm2 0.921
 
! ############### n15noe.258 NOT folded
assi (attr store1 < 8.088 and attr store1 > 7.988 ) 
     ((attr store1 < 8.346 and attr store1 > 8.286 ) and bondedto
      (attr store1 < 123.998  and attr store1 > 123.198 ))
6 0.1 0.1 peak 258 volume 10.26013 ppm1 8.316 ppm2 8.038
 
! ############### n15noe.259 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 8.346 and attr store1 > 8.286 ) and bondedto
      (attr store1 < 123.991  and attr store1 > 123.191 ))
6 0.1 0.1 peak 259 volume 119.07391 ppm1 8.316 ppm2 4.688
 
! ############### n15noe.260 NOT folded
assi (attr store1 < 4.207 and attr store1 > 4.107 ) 
     ((attr store1 < 8.344 and attr store1 > 8.284 ) and bondedto
      (attr store1 < 123.998  and attr store1 > 123.198 ))
6 0.1 0.1 peak 260 volume 43.49890 ppm1 8.314 ppm2 4.157
 
! ############### n15noe.261 NOT folded
assi (attr store1 < 1.474 and attr store1 > 1.374 ) 
     ((attr store1 < 8.346 and attr store1 > 8.286 ) and bondedto
      (attr store1 < 124.014  and attr store1 > 123.214 ))
6 0.1 0.1 peak 261 volume 10.94517 ppm1 8.316 ppm2 1.424
 
! ############### n15noe.262 NOT folded
assi (attr store1 < 1.168 and attr store1 > 1.068 ) 
     ((attr store1 < 8.344 and attr store1 > 8.284 ) and bondedto
      (attr store1 < 123.982  and attr store1 > 123.182 ))
6 0.1 0.1 peak 262 volume 7.37442 ppm1 8.314 ppm2 1.118
 
! ############### n15noe.263 NOT folded
assi (attr store1 < 4.275 and attr store1 > 4.175 ) 
     ((attr store1 < 8.339 and attr store1 > 8.279 ) and bondedto
      (attr store1 < 123.989  and attr store1 > 123.189 ))
6 0.1 0.1 peak 263 volume 5.39637 ppm1 8.309 ppm2 4.225
 
! ############### n15noe.264 NOT folded
assi (attr store1 < 4.135 and attr store1 > 4.035 ) 
     ((attr store1 < 8.338 and attr store1 > 8.278 ) and bondedto
      (attr store1 < 123.971  and attr store1 > 123.171 ))
6 0.1 0.1 peak 264 volume 3.80058 ppm1 8.308 ppm2 4.085
 
! ############### n15noe.265 NOT folded
assi (attr store1 < 4.742 and attr store1 > 4.642 ) 
     ((attr store1 < 8.143 and attr store1 > 8.083 ) and bondedto
      (attr store1 < 123.984  and attr store1 > 123.184 ))
6 0.1 0.1 peak 265 volume 5.10785 ppm1 8.113 ppm2 4.692
 
! ############### n15noe.266 NOT folded
assi (attr store1 < 7.879 and attr store1 > 7.779 ) 
     ((attr store1 < 8.607 and attr store1 > 8.547 ) and bondedto
      (attr store1 < 123.903  and attr store1 > 123.103 ))
6 0.1 0.1 peak 266 volume 4.09304 ppm1 8.577 ppm2 7.829
 
! ############### n15noe.267 NOT folded
assi (attr store1 < 1.081 and attr store1 > 0.981 ) 
     ((attr store1 < 8.61 and attr store1 > 8.55 ) and bondedto
      (attr store1 < 123.915  and attr store1 > 123.115 ))
6 0.1 0.1 peak 267 volume 6.95192 ppm1 8.580 ppm2 1.031
 
! ############### n15noe.268 NOT folded
assi (attr store1 < 3.987 and attr store1 > 3.887 ) 
     ((attr store1 < 8.604 and attr store1 > 8.544 ) and bondedto
      (attr store1 < 123.908  and attr store1 > 123.108 ))
6 0.1 0.1 peak 268 volume 3.98470 ppm1 8.574 ppm2 3.937
 
! ############### n15noe.269 NOT folded
assi (attr store1 < 3.763 and attr store1 > 3.663 ) 
     ((attr store1 < 8.604 and attr store1 > 8.544 ) and bondedto
      (attr store1 < 123.926  and attr store1 > 123.126 ))
6 0.1 0.1 peak 269 volume 11.67285 ppm1 8.574 ppm2 3.713
 
! ############### n15noe.270 NOT folded
assi (attr store1 < 1.577 and attr store1 > 1.477 ) 
     ((attr store1 < 8.602 and attr store1 > 8.542 ) and bondedto
      (attr store1 < 123.914  and attr store1 > 123.114 ))
6 0.1 0.1 peak 270 volume 9.91870 ppm1 8.572 ppm2 1.527
 
! ############### n15noe.271 NOT folded
assi (attr store1 < 1.103 and attr store1 > 1.003 ) 
     ((attr store1 < 8.602 and attr store1 > 8.542 ) and bondedto
      (attr store1 < 123.926  and attr store1 > 123.126 ))
6 0.1 0.1 peak 271 volume 7.01144 ppm1 8.572 ppm2 1.053
 
! ############### n15noe.272 NOT folded
assi (attr store1 < 0.958 and attr store1 > 0.858 ) 
     ((attr store1 < 8.603 and attr store1 > 8.543 ) and bondedto
      (attr store1 < 123.909  and attr store1 > 123.109 ))
6 0.1 0.1 peak 272 volume 26.72341 ppm1 8.573 ppm2 0.908
 
! ############### n15noe.273 NOT folded
assi (attr store1 < 1.839 and attr store1 > 1.739 ) 
     ((attr store1 < 9.476 and attr store1 > 9.416 ) and bondedto
      (attr store1 < 123.753  and attr store1 > 122.953 ))
6 0.1 0.1 peak 273 volume 3.65735 ppm1 9.446 ppm2 1.789
 
! ############### n15noe.274 NOT folded
assi (attr store1 < 1.567 and attr store1 > 1.467 ) 
     ((attr store1 < 8.558 and attr store1 > 8.498 ) and bondedto
      (attr store1 < 123.823  and attr store1 > 123.023 ))
6 0.1 0.1 peak 274 volume 3.59343 ppm1 8.528 ppm2 1.517
 
! ############### n15noe.275 NOT folded
assi (attr store1 < 0.882 and attr store1 > 0.782 ) 
     ((attr store1 < 9.474 and attr store1 > 9.414 ) and bondedto
      (attr store1 < 123.686  and attr store1 > 122.886 ))
6 0.1 0.1 peak 275 volume 5.92803 ppm1 9.444 ppm2 0.832
 
! ############### n15noe.276 NOT folded
assi (attr store1 < 4.503 and attr store1 > 4.403 ) 
     ((attr store1 < 9.47 and attr store1 > 9.41 ) and bondedto
      (attr store1 < 123.664  and attr store1 > 122.864 ))
6 0.1 0.1 peak 276 volume 8.35565 ppm1 9.440 ppm2 4.453
 
! ############### n15noe.277 NOT folded
assi (attr store1 < 3.966 and attr store1 > 3.866 ) 
     ((attr store1 < 9.469 and attr store1 > 9.409 ) and bondedto
      (attr store1 < 123.664  and attr store1 > 122.864 ))
6 0.1 0.1 peak 277 volume 4.23673 ppm1 9.439 ppm2 3.916
 
! ############### n15noe.278 NOT folded
assi (attr store1 < 2.699 and attr store1 > 2.599 ) 
     ((attr store1 < 9.469 and attr store1 > 9.409 ) and bondedto
      (attr store1 < 123.651  and attr store1 > 122.851 ))
6 0.1 0.1 peak 278 volume 13.86820 ppm1 9.439 ppm2 2.649
 
! ############### n15noe.279 NOT folded
assi (attr store1 < 8.415 and attr store1 > 8.315 ) 
     ((attr store1 < 9.466 and attr store1 > 9.406 ) and bondedto
      (attr store1 < 123.671  and attr store1 > 122.871 ))
6 0.1 0.1 peak 279 volume 16.56004 ppm1 9.436 ppm2 8.365
 
! ############### n15noe.280 NOT folded
assi (attr store1 < 8.207 and attr store1 > 8.107 ) 
     ((attr store1 < 9.467 and attr store1 > 9.407 ) and bondedto
      (attr store1 < 123.659  and attr store1 > 122.859 ))
6 0.1 0.1 peak 280 volume 16.64282 ppm1 9.437 ppm2 8.157
 
! ############### n15noe.281 NOT folded
assi (attr store1 < 3.053 and attr store1 > 2.953 ) 
     ((attr store1 < 9.468 and attr store1 > 9.408 ) and bondedto
      (attr store1 < 123.67  and attr store1 > 122.87 ))
6 0.1 0.1 peak 281 volume 18.03444 ppm1 9.438 ppm2 3.003
 
! ############### n15noe.282 NOT folded
assi (attr store1 < 2.336 and attr store1 > 2.236 ) 
     ((attr store1 < 9.466 and attr store1 > 9.406 ) and bondedto
      (attr store1 < 123.669  and attr store1 > 122.869 ))
6 0.1 0.1 peak 282 volume 5.57439 ppm1 9.436 ppm2 2.286
 
! ############### n15noe.283 NOT folded
assi (attr store1 < 1.803 and attr store1 > 1.703 ) 
     ((attr store1 < 9.457 and attr store1 > 9.397 ) and bondedto
      (attr store1 < 123.679  and attr store1 > 122.879 ))
6 0.1 0.1 peak 283 volume 4.06267 ppm1 9.427 ppm2 1.753
 
! ############### n15noe.284 NOT folded
assi (attr store1 < 4.896 and attr store1 > 4.796 ) 
     ((attr store1 < 7.848 and attr store1 > 7.788 ) and bondedto
      (attr store1 < 123.697  and attr store1 > 122.897 ))
6 0.1 0.1 peak 284 volume 10.64293 ppm1 7.818 ppm2 4.846
 
! ############### n15noe.285 NOT folded
assi (attr store1 < 4.74 and attr store1 > 4.64 ) 
     ((attr store1 < 7.849 and attr store1 > 7.789 ) and bondedto
      (attr store1 < 123.676  and attr store1 > 122.876 ))
6 0.1 0.1 peak 285 volume 8.63069 ppm1 7.819 ppm2 4.690
 
! ############### n15noe.286 NOT folded
assi (attr store1 < 4.523 and attr store1 > 4.423 ) 
     ((attr store1 < 7.849 and attr store1 > 7.789 ) and bondedto
      (attr store1 < 123.68  and attr store1 > 122.88 ))
6 0.1 0.1 peak 286 volume 6.94027 ppm1 7.819 ppm2 4.473
 
! ############### n15noe.287 NOT folded
assi (attr store1 < 4.442 and attr store1 > 4.342 ) 
     ((attr store1 < 7.848 and attr store1 > 7.788 ) and bondedto
      (attr store1 < 123.684  and attr store1 > 122.884 ))
6 0.1 0.1 peak 287 volume 19.50973 ppm1 7.818 ppm2 4.392
 
! ############### n15noe.288 NOT folded
assi (attr store1 < 4.364 and attr store1 > 4.264 ) 
     ((attr store1 < 7.85 and attr store1 > 7.79 ) and bondedto
      (attr store1 < 123.71  and attr store1 > 122.91 ))
6 0.1 0.1 peak 288 volume 3.77400 ppm1 7.820 ppm2 4.314
 
! ############### n15noe.289 NOT folded
assi (attr store1 < 4.059 and attr store1 > 3.959 ) 
     ((attr store1 < 7.851 and attr store1 > 7.791 ) and bondedto
      (attr store1 < 123.694  and attr store1 > 122.894 ))
6 0.1 0.1 peak 289 volume 5.16350 ppm1 7.821 ppm2 4.009
 
! ############### n15noe.290 NOT folded
assi (attr store1 < 2.105 and attr store1 > 2.005 ) 
     ((attr store1 < 7.851 and attr store1 > 7.791 ) and bondedto
      (attr store1 < 123.704  and attr store1 > 122.904 ))
6 0.1 0.1 peak 290 volume 5.35479 ppm1 7.821 ppm2 2.055
 
! ############### n15noe.291 NOT folded
assi (attr store1 < 7.477 and attr store1 > 7.377 ) 
     ((attr store1 < 7.845 and attr store1 > 7.785 ) and bondedto
      (attr store1 < 123.657  and attr store1 > 122.857 ))
6 0.1 0.1 peak 291 volume 40.54604 ppm1 7.815 ppm2 7.427
 
! ############### n15noe.292 NOT folded
assi (attr store1 < 2.206 and attr store1 > 2.106 ) 
     ((attr store1 < 7.844 and attr store1 > 7.784 ) and bondedto
      (attr store1 < 123.723  and attr store1 > 122.923 ))
6 0.1 0.1 peak 292 volume 4.54164 ppm1 7.814 ppm2 2.156
 
! ############### n15noe.293 NOT folded
assi (attr store1 < 2.002 and attr store1 > 1.902 ) 
     ((attr store1 < 7.844 and attr store1 > 7.784 ) and bondedto
      (attr store1 < 123.651  and attr store1 > 122.851 ))
6 0.1 0.1 peak 293 volume 19.94701 ppm1 7.814 ppm2 1.952
 
! ############### n15noe.294 NOT folded
assi (attr store1 < 1.791 and attr store1 > 1.691 ) 
     ((attr store1 < 7.845 and attr store1 > 7.785 ) and bondedto
      (attr store1 < 123.664  and attr store1 > 122.864 ))
6 0.1 0.1 peak 294 volume 17.65618 ppm1 7.815 ppm2 1.741
 
! ############### n15noe.295 NOT folded
assi (attr store1 < 1.479 and attr store1 > 1.379 ) 
     ((attr store1 < 7.845 and attr store1 > 7.785 ) and bondedto
      (attr store1 < 123.652  and attr store1 > 122.852 ))
6 0.1 0.1 peak 295 volume 10.68517 ppm1 7.815 ppm2 1.429
 
! ############### n15noe.296 NOT folded
assi (attr store1 < 1.113 and attr store1 > 1.013 ) 
     ((attr store1 < 7.845 and attr store1 > 7.785 ) and bondedto
      (attr store1 < 123.649  and attr store1 > 122.849 ))
6 0.1 0.1 peak 296 volume 15.87921 ppm1 7.815 ppm2 1.063
 
! ############### n15noe.297 NOT folded
assi (attr store1 < 0.995 and attr store1 > 0.895 ) 
     ((attr store1 < 7.847 and attr store1 > 7.787 ) and bondedto
      (attr store1 < 123.674  and attr store1 > 122.874 ))
6 0.1 0.1 peak 297 volume 13.58813 ppm1 7.817 ppm2 0.945
 
! ############### n15noe.298 NOT folded
assi (attr store1 < 0.891 and attr store1 > 0.791 ) 
     ((attr store1 < 7.847 and attr store1 > 7.787 ) and bondedto
      (attr store1 < 123.672  and attr store1 > 122.872 ))
6 0.1 0.1 peak 298 volume 15.89509 ppm1 7.817 ppm2 0.841
 
! ############### n15noe.299 NOT folded
assi (attr store1 < 0.53 and attr store1 > 0.43 ) 
     ((attr store1 < 7.846 and attr store1 > 7.786 ) and bondedto
      (attr store1 < 123.686  and attr store1 > 122.886 ))
6 0.1 0.1 peak 299 volume 3.53027 ppm1 7.816 ppm2 0.480
 
! ############### n15noe.300 NOT folded
assi (attr store1 < 4.57 and attr store1 > 4.47 ) 
     ((attr store1 < 9.474 and attr store1 > 9.414 ) and bondedto
      (attr store1 < 123.623  and attr store1 > 122.823 ))
6 0.1 0.1 peak 300 volume 14.01061 ppm1 9.444 ppm2 4.520
 
! ############### n15noe.301 NOT folded
assi (attr store1 < 3.821 and attr store1 > 3.721 ) 
     ((attr store1 < 9.469 and attr store1 > 9.409 ) and bondedto
      (attr store1 < 123.63  and attr store1 > 122.83 ))
6 0.1 0.1 peak 301 volume 6.11074 ppm1 9.439 ppm2 3.771
 
! ############### n15noe.302 NOT folded
assi (attr store1 < 2.226 and attr store1 > 2.126 ) 
     ((attr store1 < 9.464 and attr store1 > 9.404 ) and bondedto
      (attr store1 < 123.614  and attr store1 > 122.814 ))
6 0.1 0.1 peak 302 volume 10.88979 ppm1 9.434 ppm2 2.176
 
! ############### n15noe.303 NOT folded
assi (attr store1 < 1.033 and attr store1 > 0.933 ) 
     ((attr store1 < 9.465 and attr store1 > 9.405 ) and bondedto
      (attr store1 < 123.624  and attr store1 > 122.824 ))
6 0.1 0.1 peak 303 volume 12.91332 ppm1 9.435 ppm2 0.983
 
! ############### n15noe.304 NOT folded
assi (attr store1 < 1.134 and attr store1 > 1.034 ) 
     ((attr store1 < 9.461 and attr store1 > 9.401 ) and bondedto
      (attr store1 < 123.587  and attr store1 > 122.787 ))
6 0.1 0.1 peak 304 volume 4.16267 ppm1 9.431 ppm2 1.084
 
! ############### n15noe.305 NOT folded
assi (attr store1 < 1.506 and attr store1 > 1.406 ) 
     ((attr store1 < 8.481 and attr store1 > 8.421 ) and bondedto
      (attr store1 < 123.551  and attr store1 > 122.751 ))
6 0.1 0.1 peak 305 volume 12.51474 ppm1 8.451 ppm2 1.456
 
! ############### n15noe.306 NOT folded
assi ( resid 121  and name HG  )
     ( resid  88  and name HN  )
6 0.1 0.1 peak 306 volume 14.45006 ppm1 8.451 ppm2 1.050
 
! ############### n15noe.307 NOT folded
assi (attr store1 < 2.666 and attr store1 > 2.566 ) 
     ((attr store1 < 8.475 and attr store1 > 8.415 ) and bondedto
      (attr store1 < 123.566  and attr store1 > 122.766 ))
6 0.1 0.1 peak 307 volume 6.45898 ppm1 8.445 ppm2 2.616
 
! ############### n15noe.308 NOT folded
assi ( resid 121  and name HD2%)
     ( resid  88  and name HN  )
6 0.1 0.1 peak 308 volume 16.28462 ppm1 8.447 ppm2 0.881
 
! ############### n15noe.309 NOT folded
assi (attr store1 < 2.514 and attr store1 > 2.414 ) 
     ((attr store1 < 7.851 and attr store1 > 7.791 ) and bondedto
      (attr store1 < 123.633  and attr store1 > 122.833 ))
6 0.1 0.1 peak 309 volume 8.23629 ppm1 7.821 ppm2 2.464
 
! ############### n15noe.310 NOT folded
assi (attr store1 < 3.968 and attr store1 > 3.868 ) 
     ((attr store1 < 7.844 and attr store1 > 7.784 ) and bondedto
      (attr store1 < 123.636  and attr store1 > 122.836 ))
6 0.1 0.1 peak 310 volume 9.22779 ppm1 7.814 ppm2 3.918
 
! ############### n15noe.311 NOT folded
assi (attr store1 < 1.042 and attr store1 > 0.942 ) 
     ((attr store1 < 7.844 and attr store1 > 7.784 ) and bondedto
      (attr store1 < 123.626  and attr store1 > 122.826 ))
6 0.1 0.1 peak 311 volume 11.12471 ppm1 7.814 ppm2 0.992
 
! ############### n15noe.312 NOT folded
assi (attr store1 < 4.089 and attr store1 > 3.989 ) 
     ((attr store1 < 7.573 and attr store1 > 7.513 ) and bondedto
      (attr store1 < 123.592  and attr store1 > 122.792 ))
6 0.1 0.1 peak 312 volume 9.06009 ppm1 7.543 ppm2 4.039
 
! ############### n15noe.313 NOT folded
assi (attr store1 < 3.432 and attr store1 > 3.332 ) 
     ((attr store1 < 7.573 and attr store1 > 7.513 ) and bondedto
      (attr store1 < 123.603  and attr store1 > 122.803 ))
6 0.1 0.1 peak 313 volume 5.39893 ppm1 7.543 ppm2 3.382
 
! ############### n15noe.314 NOT folded
assi (attr store1 < 2.257 and attr store1 > 2.157 ) 
     ((attr store1 < 7.573 and attr store1 > 7.513 ) and bondedto
      (attr store1 < 123.588  and attr store1 > 122.788 ))
6 0.1 0.1 peak 314 volume 4.82895 ppm1 7.543 ppm2 2.207
 
! ############### n15noe.315 NOT folded
assi (attr store1 < 1.793 and attr store1 > 1.693 ) 
     ((attr store1 < 7.574 and attr store1 > 7.514 ) and bondedto
      (attr store1 < 123.613  and attr store1 > 122.813 ))
6 0.1 0.1 peak 315 volume 5.00929 ppm1 7.544 ppm2 1.743
 
! ############### n15noe.316 NOT folded
assi (attr store1 < 1.718 and attr store1 > 1.618 ) 
     ((attr store1 < 7.575 and attr store1 > 7.515 ) and bondedto
      (attr store1 < 123.604  and attr store1 > 122.804 ))
6 0.1 0.1 peak 316 volume 4.96274 ppm1 7.545 ppm2 1.668
 
! ############### n15noe.317 NOT folded
assi (attr store1 < 1.636 and attr store1 > 1.536 ) 
     ((attr store1 < 7.573 and attr store1 > 7.513 ) and bondedto
      (attr store1 < 123.592  and attr store1 > 122.792 ))
6 0.1 0.1 peak 317 volume 24.57309 ppm1 7.543 ppm2 1.586
 
! ############### n15noe.318 NOT folded
assi (attr store1 < 0.544 and attr store1 > 0.444 ) 
     ((attr store1 < 7.572 and attr store1 > 7.512 ) and bondedto
      (attr store1 < 123.591  and attr store1 > 122.791 ))
6 0.1 0.1 peak 318 volume 11.97843 ppm1 7.542 ppm2 0.494
 
! ############### n15noe.319 NOT folded
assi (attr store1 < 7.776 and attr store1 > 7.676 ) 
     ((attr store1 < 7.571 and attr store1 > 7.511 ) and bondedto
      (attr store1 < 123.59  and attr store1 > 122.79 ))
6 0.1 0.1 peak 319 volume 30.32248 ppm1 7.541 ppm2 7.726
 
! ############### n15noe.320 NOT folded
assi (attr store1 < 4.728 and attr store1 > 4.628 ) 
     ((attr store1 < 7.57 and attr store1 > 7.51 ) and bondedto
      (attr store1 < 123.616  and attr store1 > 122.816 ))
6 0.1 0.1 peak 320 volume 3.74865 ppm1 7.540 ppm2 4.678
 
! ############### n15noe.321 NOT folded
assi (attr store1 < 4.584 and attr store1 > 4.484 ) 
     ((attr store1 < 7.571 and attr store1 > 7.511 ) and bondedto
      (attr store1 < 123.565  and attr store1 > 122.765 ))
6 0.1 0.1 peak 321 volume 8.74225 ppm1 7.541 ppm2 4.534
 
! ############### n15noe.322 NOT folded
assi (attr store1 < 4.486 and attr store1 > 4.386 ) 
     ((attr store1 < 7.572 and attr store1 > 7.512 ) and bondedto
      (attr store1 < 123.582  and attr store1 > 122.782 ))
6 0.1 0.1 peak 322 volume 10.86301 ppm1 7.542 ppm2 4.436
 
! ############### n15noe.323 NOT folded
assi (attr store1 < 4.191 and attr store1 > 4.091 ) 
     ((attr store1 < 7.57 and attr store1 > 7.51 ) and bondedto
      (attr store1 < 123.577  and attr store1 > 122.777 ))
6 0.1 0.1 peak 323 volume 5.21812 ppm1 7.540 ppm2 4.141
 
! ############### n15noe.324 NOT folded
assi (attr store1 < 3.964 and attr store1 > 3.864 ) 
     ((attr store1 < 7.57 and attr store1 > 7.51 ) and bondedto
      (attr store1 < 123.581  and attr store1 > 122.781 ))
6 0.1 0.1 peak 324 volume 23.00635 ppm1 7.540 ppm2 3.914
 
! ############### n15noe.325 NOT folded
assi (attr store1 < 3.818 and attr store1 > 3.718 ) 
     ((attr store1 < 7.571 and attr store1 > 7.511 ) and bondedto
      (attr store1 < 123.576  and attr store1 > 122.776 ))
6 0.1 0.1 peak 325 volume 15.77542 ppm1 7.541 ppm2 3.768
 
! ############### n15noe.326 NOT folded
assi (attr store1 < 3.52 and attr store1 > 3.42 ) 
     ((attr store1 < 7.57 and attr store1 > 7.51 ) and bondedto
      (attr store1 < 123.582  and attr store1 > 122.782 ))
6 0.1 0.1 peak 326 volume 13.18242 ppm1 7.540 ppm2 3.470
 
! ############### n15noe.327 NOT folded
assi (attr store1 < 1.99 and attr store1 > 1.89 ) 
     ((attr store1 < 7.571 and attr store1 > 7.511 ) and bondedto
      (attr store1 < 123.618  and attr store1 > 122.818 ))
6 0.1 0.1 peak 327 volume 6.66090 ppm1 7.541 ppm2 1.940
 
! ############### n15noe.328 NOT folded
assi (attr store1 < 1.881 and attr store1 > 1.781 ) 
     ((attr store1 < 7.57 and attr store1 > 7.51 ) and bondedto
      (attr store1 < 123.605  and attr store1 > 122.805 ))
6 0.1 0.1 peak 328 volume 27.33245 ppm1 7.540 ppm2 1.831
 
! ############### n15noe.329 NOT folded
assi (attr store1 < 1.166 and attr store1 > 1.066 ) 
     ((attr store1 < 7.571 and attr store1 > 7.511 ) and bondedto
      (attr store1 < 123.582  and attr store1 > 122.782 ))
6 0.1 0.1 peak 329 volume 17.27843 ppm1 7.541 ppm2 1.116
 
! ############### n15noe.330 NOT folded
assi (attr store1 < 0.998 and attr store1 > 0.898 ) 
     ((attr store1 < 7.571 and attr store1 > 7.511 ) and bondedto
      (attr store1 < 123.582  and attr store1 > 122.782 ))
6 0.1 0.1 peak 330 volume 7.29606 ppm1 7.541 ppm2 0.948
 
! ############### n15noe.331 NOT folded
assi (attr store1 < 0.851 and attr store1 > 0.751 ) 
     ((attr store1 < 7.572 and attr store1 > 7.512 ) and bondedto
      (attr store1 < 123.599  and attr store1 > 122.799 ))
6 0.1 0.1 peak 331 volume 17.31767 ppm1 7.542 ppm2 0.801
 
! ############### n15noe.332 NOT folded
assi (attr store1 < 2.112 and attr store1 > 2.012 ) 
     ((attr store1 < 7.567 and attr store1 > 7.507 ) and bondedto
      (attr store1 < 123.616  and attr store1 > 122.816 ))
6 0.1 0.1 peak 332 volume 4.27061 ppm1 7.537 ppm2 2.062
 
! ############### n15noe.333 NOT folded
assi (attr store1 < 8.724 and attr store1 > 8.624 ) 
     ((attr store1 < 8.48 and attr store1 > 8.42 ) and bondedto
      (attr store1 < 123.516  and attr store1 > 122.716 ))
6 0.1 0.1 peak 333 volume 18.68335 ppm1 8.450 ppm2 8.674
 
! ############### n15noe.334 NOT folded
assi (attr store1 < 4.523 and attr store1 > 4.423 ) 
     ((attr store1 < 8.481 and attr store1 > 8.421 ) and bondedto
      (attr store1 < 123.53  and attr store1 > 122.73 ))
6 0.1 0.1 peak 334 volume 10.78497 ppm1 8.451 ppm2 4.473
 
! ############### n15noe.335 NOT folded
assi (attr store1 < 4.236 and attr store1 > 4.136 ) 
     ((attr store1 < 8.482 and attr store1 > 8.422 ) and bondedto
      (attr store1 < 123.475  and attr store1 > 122.675 ))
6 0.1 0.1 peak 335 volume 4.43266 ppm1 8.452 ppm2 4.186
 
! ############### n15noe.336 NOT folded
assi (attr store1 < 1.627 and attr store1 > 1.527 ) 
     ((attr store1 < 8.479 and attr store1 > 8.419 ) and bondedto
      (attr store1 < 123.491  and attr store1 > 122.691 ))
6 0.1 0.1 peak 336 volume 8.50903 ppm1 8.449 ppm2 1.577
 
! ############### n15noe.337 NOT folded
assi (attr store1 < 0.986 and attr store1 > 0.886 ) 
     ((attr store1 < 8.481 and attr store1 > 8.421 ) and bondedto
      (attr store1 < 123.496  and attr store1 > 122.696 ))
6 0.1 0.1 peak 337 volume 13.94003 ppm1 8.451 ppm2 0.936
 
! ############### n15noe.338 NOT folded
assi (attr store1 < 4.129 and attr store1 > 4.029 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 123.534  and attr store1 > 122.734 ))
6 0.1 0.1 peak 338 volume 10.00329 ppm1 8.447 ppm2 4.079
 
! ############### n15noe.339 NOT folded
assi (attr store1 < 3.397 and attr store1 > 3.297 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 123.508  and attr store1 > 122.708 ))
6 0.1 0.1 peak 339 volume 7.15460 ppm1 8.447 ppm2 3.347
 
! ############### n15noe.340 NOT folded
assi (attr store1 < 2.113 and attr store1 > 2.013 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 123.517  and attr store1 > 122.717 ))
6 0.1 0.1 peak 340 volume 12.78413 ppm1 8.447 ppm2 2.063
 
! ############### n15noe.341 NOT folded
assi (attr store1 < 1.768 and attr store1 > 1.668 ) 
     ((attr store1 < 8.472 and attr store1 > 8.412 ) and bondedto
      (attr store1 < 123.52  and attr store1 > 122.72 ))
6 0.1 0.1 peak 341 volume 5.30659 ppm1 8.442 ppm2 1.718
 
! ############### n15noe.342 NOT folded
assi (attr store1 < 2.966 and attr store1 > 2.866 ) 
     ((attr store1 < 8.567 and attr store1 > 8.507 ) and bondedto
      (attr store1 < 123.432  and attr store1 > 122.632 ))
6 0.1 0.1 peak 342 volume 5.12826 ppm1 8.537 ppm2 2.916
 
! ############### n15noe.343 NOT folded
assi (attr store1 < 8.441 and attr store1 > 8.341 ) 
     ((attr store1 < 8.566 and attr store1 > 8.506 ) and bondedto
      (attr store1 < 123.398  and attr store1 > 122.598 ))
6 0.1 0.1 peak 343 volume 15.99724 ppm1 8.536 ppm2 8.391
 
! ############### n15noe.344 NOT folded
assi (attr store1 < 4.571 and attr store1 > 4.471 ) 
     ((attr store1 < 8.561 and attr store1 > 8.501 ) and bondedto
      (attr store1 < 123.388  and attr store1 > 122.588 ))
6 0.1 0.1 peak 344 volume 11.79296 ppm1 8.531 ppm2 4.521
 
! ############### n15noe.345 NOT folded
assi (attr store1 < 3.65 and attr store1 > 3.55 ) 
     ((attr store1 < 8.565 and attr store1 > 8.505 ) and bondedto
      (attr store1 < 123.405  and attr store1 > 122.605 ))
6 0.1 0.1 peak 345 volume 5.53574 ppm1 8.535 ppm2 3.600
 
! ############### n15noe.346 NOT folded
assi (attr store1 < 2.223 and attr store1 > 2.123 ) 
     ((attr store1 < 8.564 and attr store1 > 8.504 ) and bondedto
      (attr store1 < 123.353  and attr store1 > 122.553 ))
6 0.1 0.1 peak 346 volume 15.98496 ppm1 8.534 ppm2 2.173
 
! ############### n15noe.347 NOT folded
assi (attr store1 < 2.158 and attr store1 > 2.058 ) 
     ((attr store1 < 8.562 and attr store1 > 8.502 ) and bondedto
      (attr store1 < 123.375  and attr store1 > 122.575 ))
6 0.1 0.1 peak 347 volume 15.64669 ppm1 8.532 ppm2 2.108
 
! ############### n15noe.348 NOT folded
assi (attr store1 < 8.662 and attr store1 > 8.562 ) 
     ((attr store1 < 8.505 and attr store1 > 8.445 ) and bondedto
      (attr store1 < 123.405  and attr store1 > 122.605 ))
6 0.1 0.1 peak 348 volume 5.52582 ppm1 8.475 ppm2 8.612
 
! ############### n15noe.349 NOT folded
assi (attr store1 < 1.712 and attr store1 > 1.612 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 123.401  and attr store1 > 122.601 ))
6 0.1 0.1 peak 349 volume 6.76370 ppm1 8.446 ppm2 1.662
 
! ############### n15noe.350 NOT folded
assi (attr store1 < 2.099 and attr store1 > 1.999 ) 
     ((attr store1 < 7.958 and attr store1 > 7.898 ) and bondedto
      (attr store1 < 123.387  and attr store1 > 122.587 ))
6 0.1 0.1 peak 350 volume 6.49119 ppm1 7.928 ppm2 2.049
 
! ############### n15noe.351 NOT folded
assi (attr store1 < 1.704 and attr store1 > 1.604 ) 
     ((attr store1 < 7.96 and attr store1 > 7.9 ) and bondedto
      (attr store1 < 123.404  and attr store1 > 122.604 ))
6 0.1 0.1 peak 351 volume 9.30933 ppm1 7.930 ppm2 1.654
 
! ############### n15noe.352 NOT folded
assi (attr store1 < 8.8 and attr store1 > 8.7 ) 
     ((attr store1 < 7.955 and attr store1 > 7.895 ) and bondedto
      (attr store1 < 123.38  and attr store1 > 122.58 ))
6 0.1 0.1 peak 352 volume 17.00926 ppm1 7.925 ppm2 8.750
 
! ############### n15noe.353 NOT folded
assi (attr store1 < 8.473 and attr store1 > 8.373 ) 
     ((attr store1 < 7.955 and attr store1 > 7.895 ) and bondedto
      (attr store1 < 123.38  and attr store1 > 122.58 ))
6 0.1 0.1 peak 353 volume 21.45896 ppm1 7.925 ppm2 8.423
 
! ############### n15noe.354 NOT folded
assi (attr store1 < 4.339 and attr store1 > 4.239 ) 
     ((attr store1 < 7.957 and attr store1 > 7.897 ) and bondedto
      (attr store1 < 123.367  and attr store1 > 122.567 ))
6 0.1 0.1 peak 354 volume 21.94603 ppm1 7.927 ppm2 4.289
 
! ############### n15noe.355 NOT folded
assi (attr store1 < 4.228 and attr store1 > 4.128 ) 
     ((attr store1 < 7.953 and attr store1 > 7.893 ) and bondedto
      (attr store1 < 123.4  and attr store1 > 122.6 ))
6 0.1 0.1 peak 355 volume 6.68739 ppm1 7.923 ppm2 4.178
 
! ############### n15noe.356 NOT folded
assi (attr store1 < 3.983 and attr store1 > 3.883 ) 
     ((attr store1 < 7.953 and attr store1 > 7.893 ) and bondedto
      (attr store1 < 123.397  and attr store1 > 122.597 ))
6 0.1 0.1 peak 356 volume 7.76768 ppm1 7.923 ppm2 3.933
 
! ############### n15noe.357 NOT folded
assi (attr store1 < 2.457 and attr store1 > 2.357 ) 
     ((attr store1 < 7.955 and attr store1 > 7.895 ) and bondedto
      (attr store1 < 123.399  and attr store1 > 122.599 ))
6 0.1 0.1 peak 357 volume 5.16198 ppm1 7.925 ppm2 2.407
 
! ############### n15noe.358 NOT folded
assi (attr store1 < 2.194 and attr store1 > 2.094 ) 
     ((attr store1 < 7.953 and attr store1 > 7.893 ) and bondedto
      (attr store1 < 123.412  and attr store1 > 122.612 ))
6 0.1 0.1 peak 358 volume 4.22236 ppm1 7.923 ppm2 2.144
 
! ############### n15noe.359 NOT folded
assi (attr store1 < 1.978 and attr store1 > 1.878 ) 
     ((attr store1 < 7.955 and attr store1 > 7.895 ) and bondedto
      (attr store1 < 123.396  and attr store1 > 122.596 ))
6 0.1 0.1 peak 359 volume 20.07227 ppm1 7.925 ppm2 1.928
 
! ############### n15noe.360 NOT folded
assi (attr store1 < 1.896 and attr store1 > 1.796 ) 
     ((attr store1 < 7.954 and attr store1 > 7.894 ) and bondedto
      (attr store1 < 123.387  and attr store1 > 122.587 ))
6 0.1 0.1 peak 360 volume 5.08487 ppm1 7.924 ppm2 1.846
 
! ############### n15noe.361 NOT folded
assi (attr store1 < 1.732 and attr store1 > 1.632 ) 
     ((attr store1 < 7.954 and attr store1 > 7.894 ) and bondedto
      (attr store1 < 123.407  and attr store1 > 122.607 ))
6 0.1 0.1 peak 361 volume 9.55123 ppm1 7.924 ppm2 1.682
 
! ############### n15noe.362 NOT folded
assi (attr store1 < 1.605 and attr store1 > 1.505 ) 
     ((attr store1 < 7.954 and attr store1 > 7.894 ) and bondedto
      (attr store1 < 123.403  and attr store1 > 122.603 ))
6 0.1 0.1 peak 362 volume 65.63486 ppm1 7.924 ppm2 1.555
 
! ############### n15noe.363 NOT folded
assi (attr store1 < 1.17 and attr store1 > 1.07 ) 
     ((attr store1 < 7.956 and attr store1 > 7.896 ) and bondedto
      (attr store1 < 123.412  and attr store1 > 122.612 ))
6 0.1 0.1 peak 363 volume 6.80652 ppm1 7.926 ppm2 1.120
 
! ############### n15noe.364 NOT folded
assi (attr store1 < 1.093 and attr store1 > 0.993 ) 
     ((attr store1 < 7.955 and attr store1 > 7.895 ) and bondedto
      (attr store1 < 123.401  and attr store1 > 122.601 ))
6 0.1 0.1 peak 364 volume 4.52165 ppm1 7.925 ppm2 1.043
 
! ############### n15noe.365 NOT folded
assi (attr store1 < 1.008 and attr store1 > 0.908 ) 
     ((attr store1 < 7.954 and attr store1 > 7.894 ) and bondedto
      (attr store1 < 123.396  and attr store1 > 122.596 ))
6 0.1 0.1 peak 365 volume 11.02654 ppm1 7.924 ppm2 0.958
 
! ############### n15noe.366 NOT folded
assi (attr store1 < 0.932 and attr store1 > 0.832 ) 
     ((attr store1 < 7.954 and attr store1 > 7.894 ) and bondedto
      (attr store1 < 123.411  and attr store1 > 122.611 ))
6 0.1 0.1 peak 366 volume 7.37208 ppm1 7.924 ppm2 0.882
 
! ############### n15noe.367 NOT folded
assi (attr store1 < 1.693 and attr store1 > 1.593 ) 
     ((attr store1 < 7.945 and attr store1 > 7.885 ) and bondedto
      (attr store1 < 123.384  and attr store1 > 122.584 ))
6 0.1 0.1 peak 367 volume 10.01798 ppm1 7.915 ppm2 1.643
 
! ############### n15noe.368 NOT folded
assi (attr store1 < 4.121 and attr store1 > 4.021 ) 
     ((attr store1 < 8.7 and attr store1 > 8.64 ) and bondedto
      (attr store1 < 123.292  and attr store1 > 122.492 ))
6 0.1 0.1 peak 368 volume 7.08995 ppm1 8.670 ppm2 4.071
 
! ############### n15noe.369 NOT folded
assi (attr store1 < 1.774 and attr store1 > 1.674 ) 
     ((attr store1 < 8.701 and attr store1 > 8.641 ) and bondedto
      (attr store1 < 123.275  and attr store1 > 122.475 ))
6 0.1 0.1 peak 369 volume 6.36488 ppm1 8.671 ppm2 1.724
 
! ############### n15noe.370 NOT folded
assi (attr store1 < 1.641 and attr store1 > 1.541 ) 
     ((attr store1 < 8.699 and attr store1 > 8.639 ) and bondedto
      (attr store1 < 123.268  and attr store1 > 122.468 ))
6 0.1 0.1 peak 370 volume 43.52840 ppm1 8.669 ppm2 1.591
 
! ############### n15noe.371 NOT folded
assi (attr store1 < 1.561 and attr store1 > 1.461 ) 
     ((attr store1 < 8.7 and attr store1 > 8.64 ) and bondedto
      (attr store1 < 123.281  and attr store1 > 122.481 ))
6 0.1 0.1 peak 371 volume 7.52793 ppm1 8.670 ppm2 1.511
 
! ############### n15noe.372 NOT folded
assi (attr store1 < 8.074 and attr store1 > 7.974 ) 
     ((attr store1 < 8.697 and attr store1 > 8.637 ) and bondedto
      (attr store1 < 123.271  and attr store1 > 122.471 ))
6 0.1 0.1 peak 372 volume 13.93692 ppm1 8.667 ppm2 8.024
 
! ############### n15noe.373 NOT folded
assi (attr store1 < 4.506 and attr store1 > 4.406 ) 
     ((attr store1 < 8.696 and attr store1 > 8.636 ) and bondedto
      (attr store1 < 123.267  and attr store1 > 122.467 ))
6 0.1 0.1 peak 373 volume 5.21465 ppm1 8.666 ppm2 4.456
 
! ############### n15noe.374 NOT folded
assi (attr store1 < 0.955 and attr store1 > 0.855 ) 
     ((attr store1 < 8.698 and attr store1 > 8.638 ) and bondedto
      (attr store1 < 123.262  and attr store1 > 122.462 ))
6 0.1 0.1 peak 374 volume 18.25027 ppm1 8.668 ppm2 0.905
 
! ############### n15noe.375 NOT folded
assi (attr store1 < 1.993 and attr store1 > 1.893 ) 
     ((attr store1 < 8.567 and attr store1 > 8.507 ) and bondedto
      (attr store1 < 123.339  and attr store1 > 122.539 ))
6 0.1 0.1 peak 375 volume 9.75158 ppm1 8.537 ppm2 1.943
 
! ############### n15noe.376 NOT folded
assi (attr store1 < 4.468 and attr store1 > 4.368 ) 
     ((attr store1 < 8.558 and attr store1 > 8.498 ) and bondedto
      (attr store1 < 123.314  and attr store1 > 122.514 ))
6 0.1 0.1 peak 376 volume 5.30884 ppm1 8.528 ppm2 4.418
 
! ############### n15noe.377 NOT folded
assi (attr store1 < 2.791 and attr store1 > 2.691 ) 
     ((attr store1 < 8.557 and attr store1 > 8.497 ) and bondedto
      (attr store1 < 123.348  and attr store1 > 122.548 ))
6 0.1 0.1 peak 377 volume 18.34093 ppm1 8.527 ppm2 2.741
 
! ############### n15noe.378 NOT folded
assi (attr store1 < 1.957 and attr store1 > 1.857 ) 
     ((attr store1 < 8.558 and attr store1 > 8.498 ) and bondedto
      (attr store1 < 123.308  and attr store1 > 122.508 ))
6 0.1 0.1 peak 378 volume 9.66541 ppm1 8.528 ppm2 1.907
 
! ############### n15noe.379 NOT folded
assi (attr store1 < 1.728 and attr store1 > 1.628 ) 
     ((attr store1 < 8.557 and attr store1 > 8.497 ) and bondedto
      (attr store1 < 123.274  and attr store1 > 122.474 ))
6 0.1 0.1 peak 379 volume 9.35007 ppm1 8.527 ppm2 1.678
 
! ############### n15noe.380 NOT folded
assi (attr store1 < 8.014 and attr store1 > 7.914 ) 
     ((attr store1 < 8.552 and attr store1 > 8.492 ) and bondedto
      (attr store1 < 123.286  and attr store1 > 122.486 ))
6 0.1 0.1 peak 380 volume 17.59798 ppm1 8.522 ppm2 7.964
 
! ############### n15noe.381 NOT folded
assi (attr store1 < 2.314 and attr store1 > 2.214 ) 
     ((attr store1 < 8.554 and attr store1 > 8.494 ) and bondedto
      (attr store1 < 123.288  and attr store1 > 122.488 ))
6 0.1 0.1 peak 381 volume 12.00518 ppm1 8.524 ppm2 2.264
 
! ############### n15noe.382 NOT folded
assi (attr store1 < 2.081 and attr store1 > 1.981 ) 
     ((attr store1 < 8.553 and attr store1 > 8.493 ) and bondedto
      (attr store1 < 123.299  and attr store1 > 122.499 ))
6 0.1 0.1 peak 382 volume 22.50085 ppm1 8.523 ppm2 2.031
 
! ############### n15noe.383 NOT folded
assi (attr store1 < 4.171 and attr store1 > 4.071 ) 
     ((attr store1 < 8.833 and attr store1 > 8.773 ) and bondedto
      (attr store1 < 123.184  and attr store1 > 122.384 ))
6 0.1 0.1 peak 383 volume 14.40561 ppm1 8.803 ppm2 4.121
 
! ############### n15noe.384 NOT folded
assi (attr store1 < 4.101 and attr store1 > 4.001 ) 
     ((attr store1 < 8.834 and attr store1 > 8.774 ) and bondedto
      (attr store1 < 123.202  and attr store1 > 122.402 ))
6 0.1 0.1 peak 384 volume 9.94743 ppm1 8.804 ppm2 4.051
 
! ############### n15noe.385 NOT folded
assi (attr store1 < 3.815 and attr store1 > 3.715 ) 
     ((attr store1 < 8.833 and attr store1 > 8.773 ) and bondedto
      (attr store1 < 123.19  and attr store1 > 122.39 ))
6 0.1 0.1 peak 385 volume 5.82303 ppm1 8.803 ppm2 3.765
 
! ############### n15noe.386 NOT folded
assi (attr store1 < 1.922 and attr store1 > 1.822 ) 
     ((attr store1 < 8.834 and attr store1 > 8.774 ) and bondedto
      (attr store1 < 123.178  and attr store1 > 122.378 ))
6 0.1 0.1 peak 386 volume 19.58175 ppm1 8.804 ppm2 1.872
 
! ############### n15noe.387 NOT folded
assi (attr store1 < 4.312 and attr store1 > 4.212 ) 
     ((attr store1 < 8.702 and attr store1 > 8.642 ) and bondedto
      (attr store1 < 123.228  and attr store1 > 122.428 ))
6 0.1 0.1 peak 387 volume 5.42987 ppm1 8.672 ppm2 4.262
 
! ############### n15noe.388 NOT folded
assi (attr store1 < 1.507 and attr store1 > 1.407 ) 
     ((attr store1 < 8.701 and attr store1 > 8.641 ) and bondedto
      (attr store1 < 123.216  and attr store1 > 122.416 ))
6 0.1 0.1 peak 388 volume 7.01013 ppm1 8.671 ppm2 1.457
 
! ############### n15noe.389 NOT folded
assi (attr store1 < 4.031 and attr store1 > 3.931 ) 
     ((attr store1 < 8.697 and attr store1 > 8.637 ) and bondedto
      (attr store1 < 123.238  and attr store1 > 122.438 ))
6 0.1 0.1 peak 389 volume 13.38438 ppm1 8.667 ppm2 3.981
 
! ############### n15noe.390 NOT folded
assi (attr store1 < 2.111 and attr store1 > 2.011 ) 
     ((attr store1 < 8.695 and attr store1 > 8.635 ) and bondedto
      (attr store1 < 123.242  and attr store1 > 122.442 ))
6 0.1 0.1 peak 390 volume 7.57951 ppm1 8.665 ppm2 2.061
 
! ############### n15noe.391 NOT folded
assi (attr store1 < 8.5 and attr store1 > 8.4 ) 
     ((attr store1 < 8.692 and attr store1 > 8.632 ) and bondedto
      (attr store1 < 123.225  and attr store1 > 122.425 ))
6 0.1 0.1 peak 391 volume 14.17775 ppm1 8.662 ppm2 8.450
 
! ############### n15noe.392 NOT folded
assi (attr store1 < 2.328 and attr store1 > 2.228 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 123.235  and attr store1 > 122.435 ))
6 0.1 0.1 peak 392 volume 4.23287 ppm1 8.659 ppm2 2.278
 
! ############### n15noe.393 NOT folded
assi (attr store1 < 1.784 and attr store1 > 1.684 ) 
     ((attr store1 < 8.692 and attr store1 > 8.632 ) and bondedto
      (attr store1 < 123.242  and attr store1 > 122.442 ))
6 0.1 0.1 peak 393 volume 6.17452 ppm1 8.662 ppm2 1.734
 
! ############### n15noe.394 NOT folded
assi (attr store1 < 1.719 and attr store1 > 1.619 ) 
     ((attr store1 < 8.692 and attr store1 > 8.632 ) and bondedto
      (attr store1 < 123.235  and attr store1 > 122.435 ))
6 0.1 0.1 peak 394 volume 7.27875 ppm1 8.662 ppm2 1.669
 
! ############### n15noe.395 NOT folded
assi (attr store1 < 1.569 and attr store1 > 1.469 ) 
     ((attr store1 < 8.693 and attr store1 > 8.633 ) and bondedto
      (attr store1 < 123.229  and attr store1 > 122.429 ))
6 0.1 0.1 peak 395 volume 7.52662 ppm1 8.663 ppm2 1.519
 
! ############### n15noe.396 NOT folded
assi (attr store1 < 1.498 and attr store1 > 1.398 ) 
     ((attr store1 < 8.692 and attr store1 > 8.632 ) and bondedto
      (attr store1 < 123.223  and attr store1 > 122.423 ))
6 0.1 0.1 peak 396 volume 6.89304 ppm1 8.662 ppm2 1.448
 
! ############### n15noe.397 NOT folded
assi (attr store1 < 1.556 and attr store1 > 1.456 ) 
     ((attr store1 < 8.671 and attr store1 > 8.611 ) and bondedto
      (attr store1 < 123.232  and attr store1 > 122.432 ))
6 0.1 0.1 peak 397 volume 3.53539 ppm1 8.641 ppm2 1.506
 
! ############### n15noe.398 NOT folded
assi (attr store1 < 1.627 and attr store1 > 1.527 ) 
     ((attr store1 < 8.557 and attr store1 > 8.497 ) and bondedto
      (attr store1 < 123.215  and attr store1 > 122.415 ))
6 0.1 0.1 peak 398 volume 14.35379 ppm1 8.527 ppm2 1.577
 
! ############### n15noe.399 NOT folded
assi (attr store1 < 8.047 and attr store1 > 7.947 ) 
     ((attr store1 < 8.553 and attr store1 > 8.493 ) and bondedto
      (attr store1 < 123.208  and attr store1 > 122.408 ))
6 0.1 0.1 peak 399 volume 17.36121 ppm1 8.523 ppm2 7.997
 
! ############### n15noe.400 NOT folded
assi (attr store1 < 3.954 and attr store1 > 3.854 ) 
     ((attr store1 < 8.553 and attr store1 > 8.493 ) and bondedto
      (attr store1 < 123.239  and attr store1 > 122.439 ))
6 0.1 0.1 peak 400 volume 13.76560 ppm1 8.523 ppm2 3.904
 
! ############### n15noe.401 NOT folded
assi (attr store1 < 2.487 and attr store1 > 2.387 ) 
     ((attr store1 < 8.551 and attr store1 > 8.491 ) and bondedto
      (attr store1 < 123.248  and attr store1 > 122.448 ))
6 0.1 0.1 peak 401 volume 18.75579 ppm1 8.521 ppm2 2.437
 
! ############### n15noe.402 NOT folded
assi (attr store1 < 1.818 and attr store1 > 1.718 ) 
     ((attr store1 < 8.554 and attr store1 > 8.494 ) and bondedto
      (attr store1 < 123.207  and attr store1 > 122.407 ))
6 0.1 0.1 peak 402 volume 5.21851 ppm1 8.524 ppm2 1.768
 
! ############### n15noe.403 NOT folded
assi (attr store1 < 4.076 and attr store1 > 3.976 ) 
     ((attr store1 < 8.547 and attr store1 > 8.487 ) and bondedto
      (attr store1 < 123.163  and attr store1 > 122.363 ))
6 0.1 0.1 peak 403 volume 10.01921 ppm1 8.517 ppm2 4.026
 
! ############### n15noe.404 NOT folded
assi (attr store1 < 1.626 and attr store1 > 1.526 ) 
     ((attr store1 < 8.55 and attr store1 > 8.49 ) and bondedto
      (attr store1 < 123.221  and attr store1 > 122.421 ))
6 0.1 0.1 peak 404 volume 14.10039 ppm1 8.520 ppm2 1.576
 
! ############### n15noe.405 NOT folded
assi (attr store1 < 0.938 and attr store1 > 0.838 ) 
     ((attr store1 < 8.837 and attr store1 > 8.777 ) and bondedto
      (attr store1 < 123.121  and attr store1 > 122.321 ))
6 0.1 0.1 peak 405 volume 27.25590 ppm1 8.807 ppm2 0.888
 
! ############### n15noe.406 NOT folded
assi (attr store1 < 8.717 and attr store1 > 8.617 ) 
     ((attr store1 < 8.832 and attr store1 > 8.772 ) and bondedto
      (attr store1 < 123.138  and attr store1 > 122.338 ))
6 0.1 0.1 peak 406 volume 12.34567 ppm1 8.802 ppm2 8.667
 
! ############### n15noe.407 NOT folded
assi (attr store1 < 7.865 and attr store1 > 7.765 ) 
     ((attr store1 < 8.834 and attr store1 > 8.774 ) and bondedto
      (attr store1 < 123.149  and attr store1 > 122.349 ))
6 0.1 0.1 peak 407 volume 18.59119 ppm1 8.804 ppm2 7.815
 
! ############### n15noe.408 NOT folded
assi (attr store1 < 3.765 and attr store1 > 3.665 ) 
     ((attr store1 < 8.835 and attr store1 > 8.775 ) and bondedto
      (attr store1 < 123.148  and attr store1 > 122.348 ))
6 0.1 0.1 peak 408 volume 7.61494 ppm1 8.805 ppm2 3.715
 
! ############### n15noe.409 NOT folded
assi (attr store1 < 3.605 and attr store1 > 3.505 ) 
     ((attr store1 < 8.835 and attr store1 > 8.775 ) and bondedto
      (attr store1 < 123.143  and attr store1 > 122.343 ))
6 0.1 0.1 peak 409 volume 7.52217 ppm1 8.805 ppm2 3.555
 
! ############### n15noe.410 NOT folded
assi (attr store1 < 1.83 and attr store1 > 1.73 ) 
     ((attr store1 < 8.835 and attr store1 > 8.775 ) and bondedto
      (attr store1 < 123.139  and attr store1 > 122.339 ))
6 0.1 0.1 peak 410 volume 22.32537 ppm1 8.805 ppm2 1.780
 
! ############### n15noe.411 NOT folded
assi (attr store1 < 1.596 and attr store1 > 1.496 ) 
     ((attr store1 < 8.833 and attr store1 > 8.773 ) and bondedto
      (attr store1 < 123.138  and attr store1 > 122.338 ))
6 0.1 0.1 peak 411 volume 14.10854 ppm1 8.803 ppm2 1.546
 
! ############### n15noe.412 NOT folded
assi (attr store1 < 8.85 and attr store1 > 8.75 ) 
     ((attr store1 < 8.557 and attr store1 > 8.497 ) and bondedto
      (attr store1 < 123.139  and attr store1 > 122.339 ))
6 0.1 0.1 peak 412 volume 4.94749 ppm1 8.527 ppm2 8.800
 
! ############### n15noe.413 NOT folded
assi (attr store1 < 2.399 and attr store1 > 2.299 ) 
     ((attr store1 < 8.556 and attr store1 > 8.496 ) and bondedto
      (attr store1 < 123.13  and attr store1 > 122.33 ))
6 0.1 0.1 peak 413 volume 19.83930 ppm1 8.526 ppm2 2.349
 
! ############### n15noe.414 NOT folded
assi (attr store1 < 1.479 and attr store1 > 1.379 ) 
     ((attr store1 < 8.557 and attr store1 > 8.497 ) and bondedto
      (attr store1 < 123.074  and attr store1 > 122.274 ))
6 0.1 0.1 peak 414 volume 19.66179 ppm1 8.527 ppm2 1.429
 
! ############### n15noe.415 NOT folded
assi (attr store1 < 1.179 and attr store1 > 1.079 ) 
     ((attr store1 < 8.556 and attr store1 > 8.496 ) and bondedto
      (attr store1 < 123.093  and attr store1 > 122.293 ))
6 0.1 0.1 peak 415 volume 5.81758 ppm1 8.526 ppm2 1.129
 
! ############### n15noe.416 NOT folded
assi (attr store1 < 4.305 and attr store1 > 4.205 ) 
     ((attr store1 < 8.554 and attr store1 > 8.494 ) and bondedto
      (attr store1 < 123.117  and attr store1 > 122.317 ))
6 0.1 0.1 peak 416 volume 8.55135 ppm1 8.524 ppm2 4.255
 
! ############### n15noe.417 NOT folded
assi (attr store1 < 0.841 and attr store1 > 0.741 ) 
     ((attr store1 < 8.554 and attr store1 > 8.494 ) and bondedto
      (attr store1 < 123.064  and attr store1 > 122.264 ))
6 0.1 0.1 peak 417 volume 5.95953 ppm1 8.524 ppm2 0.791
 
! ############### n15noe.418 NOT folded
assi (attr store1 < 1.718 and attr store1 > 1.618 ) 
     ((attr store1 < 8.547 and attr store1 > 8.487 ) and bondedto
      (attr store1 < 123.131  and attr store1 > 122.331 ))
6 0.1 0.1 peak 418 volume 9.41996 ppm1 8.517 ppm2 1.668
 
! ############### n15noe.419 NOT folded
assi (attr store1 < 1.699 and attr store1 > 1.599 ) 
     ((attr store1 < 7.85 and attr store1 > 7.79 ) and bondedto
      (attr store1 < 123.084  and attr store1 > 122.284 ))
6 0.1 0.1 peak 419 volume 7.09034 ppm1 7.820 ppm2 1.649
 
! ############### n15noe.420 NOT folded
assi (attr store1 < 3.545 and attr store1 > 3.445 ) 
     ((attr store1 < 8.834 and attr store1 > 8.774 ) and bondedto
      (attr store1 < 123.047  and attr store1 > 122.247 ))
6 0.1 0.1 peak 420 volume 4.63846 ppm1 8.804 ppm2 3.495
 
! ############### n15noe.421 NOT folded
assi (attr store1 < 1.104 and attr store1 > 1.004 ) 
     ((attr store1 < 8.558 and attr store1 > 8.498 ) and bondedto
      (attr store1 < 123.061  and attr store1 > 122.261 ))
6 0.1 0.1 peak 421 volume 19.62581 ppm1 8.528 ppm2 1.054
 
! ############### n15noe.422 NOT folded
assi (attr store1 < 0.947 and attr store1 > 0.847 ) 
     ((attr store1 < 8.558 and attr store1 > 8.498 ) and bondedto
      (attr store1 < 123.047  and attr store1 > 122.247 ))
6 0.1 0.1 peak 422 volume 18.35882 ppm1 8.528 ppm2 0.897
 
! ############### n15noe.423 NOT folded
assi (attr store1 < 7.864 and attr store1 > 7.764 ) 
     ((attr store1 < 8.554 and attr store1 > 8.494 ) and bondedto
      (attr store1 < 123.042  and attr store1 > 122.242 ))
6 0.1 0.1 peak 423 volume 18.94114 ppm1 8.524 ppm2 7.814
 
! ############### n15noe.424 NOT folded
assi (attr store1 < 4.228 and attr store1 > 4.128 ) 
     ((attr store1 < 8.554 and attr store1 > 8.494 ) and bondedto
      (attr store1 < 123.05  and attr store1 > 122.25 ))
6 0.1 0.1 peak 424 volume 14.90000 ppm1 8.524 ppm2 4.178
 
! ############### n15noe.425 NOT folded
assi (attr store1 < 3.765 and attr store1 > 3.665 ) 
     ((attr store1 < 8.553 and attr store1 > 8.493 ) and bondedto
      (attr store1 < 123.057  and attr store1 > 122.257 ))
6 0.1 0.1 peak 425 volume 6.26447 ppm1 8.523 ppm2 3.715
 
! ############### n15noe.426 NOT folded
assi (attr store1 < 3.55 and attr store1 > 3.45 ) 
     ((attr store1 < 8.553 and attr store1 > 8.493 ) and bondedto
      (attr store1 < 123.059  and attr store1 > 122.259 ))
6 0.1 0.1 peak 426 volume 4.75234 ppm1 8.523 ppm2 3.500
 
! ############### n15noe.427 NOT folded
assi (attr store1 < 1.557 and attr store1 > 1.457 ) 
     ((attr store1 < 8.553 and attr store1 > 8.493 ) and bondedto
      (attr store1 < 123.043  and attr store1 > 122.243 ))
6 0.1 0.1 peak 427 volume 28.35279 ppm1 8.523 ppm2 1.507
 
! ############### n15noe.428 NOT folded
assi (attr store1 < 1.016 and attr store1 > 0.916 ) 
     ((attr store1 < 8.554 and attr store1 > 8.494 ) and bondedto
      (attr store1 < 123.059  and attr store1 > 122.259 ))
6 0.1 0.1 peak 428 volume 21.27722 ppm1 8.524 ppm2 0.966
 
! ############### n15noe.429 NOT folded
assi (attr store1 < 4.17 and attr store1 > 4.07 ) 
     ((attr store1 < 8.488 and attr store1 > 8.428 ) and bondedto
      (attr store1 < 122.973  and attr store1 > 122.173 ))
6 0.1 0.1 peak 429 volume 7.33522 ppm1 8.458 ppm2 4.120
 
! ############### n15noe.430 NOT folded
assi (attr store1 < 4.327 and attr store1 > 4.227 ) 
     ((attr store1 < 7.848 and attr store1 > 7.788 ) and bondedto
      (attr store1 < 123.019  and attr store1 > 122.219 ))
6 0.1 0.1 peak 430 volume 3.87602 ppm1 7.818 ppm2 4.277
 
! ############### n15noe.431 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 7.839 and attr store1 > 7.779 ) and bondedto
      (attr store1 < 123.021  and attr store1 > 122.221 ))
6 0.1 0.1 peak 431 volume 9.41149 ppm1 7.809 ppm2 4.687
 
! ############### n15noe.432 NOT folded
assi (attr store1 < 1.692 and attr store1 > 1.592 ) 
     ((attr store1 < 7.839 and attr store1 > 7.779 ) and bondedto
      (attr store1 < 122.984  and attr store1 > 122.184 ))
6 0.1 0.1 peak 432 volume 6.57174 ppm1 7.809 ppm2 1.642
 
! ############### n15noe.433 NOT folded
assi (attr store1 < 1.616 and attr store1 > 1.516 ) 
     ((attr store1 < 7.838 and attr store1 > 7.778 ) and bondedto
      (attr store1 < 123.04  and attr store1 > 122.24 ))
6 0.1 0.1 peak 433 volume 6.65981 ppm1 7.808 ppm2 1.566
 
! ############### n15noe.434 NOT folded
assi (attr store1 < 1.449 and attr store1 > 1.349 ) 
     ((attr store1 < 7.84 and attr store1 > 7.78 ) and bondedto
      (attr store1 < 123.027  and attr store1 > 122.227 ))
6 0.1 0.1 peak 434 volume 6.36724 ppm1 7.810 ppm2 1.399
 
! ############### n15noe.435 NOT folded
assi (attr store1 < 0.753 and attr store1 > 0.653 ) 
     ((attr store1 < 7.832 and attr store1 > 7.772 ) and bondedto
      (attr store1 < 123.061  and attr store1 > 122.261 ))
6 0.1 0.1 peak 435 volume 4.06016 ppm1 7.802 ppm2 0.703
 
! ############### n15noe.436 NOT folded
assi (attr store1 < 3.61 and attr store1 > 3.51 ) 
     ((attr store1 < 8.559 and attr store1 > 8.499 ) and bondedto
      (attr store1 < 122.953  and attr store1 > 122.153 ))
6 0.1 0.1 peak 436 volume 4.26438 ppm1 8.529 ppm2 3.560
 
! ############### n15noe.437 NOT folded
assi (attr store1 < 3.375 and attr store1 > 3.275 ) 
     ((attr store1 < 8.438 and attr store1 > 8.378 ) and bondedto
      (attr store1 < 122.89  and attr store1 > 122.09 ))
6 0.1 0.1 peak 437 volume 3.52934 ppm1 8.408 ppm2 3.325
 
! ############### n15noe.438 NOT folded
assi (attr store1 < 1.821 and attr store1 > 1.721 ) 
     ((attr store1 < 8.399 and attr store1 > 8.339 ) and bondedto
      (attr store1 < 122.885  and attr store1 > 122.085 ))
6 0.1 0.1 peak 438 volume 17.38299 ppm1 8.369 ppm2 1.771
 
! ############### n15noe.439 NOT folded
assi (attr store1 < 1.468 and attr store1 > 1.368 ) 
     ((attr store1 < 8.487 and attr store1 > 8.427 ) and bondedto
      (attr store1 < 122.805  and attr store1 > 122.005 ))
6 0.1 0.1 peak 439 volume 4.97075 ppm1 8.457 ppm2 1.418
 
! ############### n15noe.440 NOT folded
assi (attr store1 < 8.07 and attr store1 > 7.97 ) 
     ((attr store1 < 8.46 and attr store1 > 8.4 ) and bondedto
      (attr store1 < 122.831  and attr store1 > 122.031 ))
6 0.1 0.1 peak 440 volume 12.48475 ppm1 8.430 ppm2 8.020
 
! ############### n15noe.441 NOT folded
assi (attr store1 < 4.148 and attr store1 > 4.048 ) 
     ((attr store1 < 8.457 and attr store1 > 8.397 ) and bondedto
      (attr store1 < 122.803  and attr store1 > 122.003 ))
6 0.1 0.1 peak 441 volume 13.45337 ppm1 8.427 ppm2 4.098
 
! ############### n15noe.442 NOT folded
assi (attr store1 < 4.065 and attr store1 > 3.965 ) 
     ((attr store1 < 8.459 and attr store1 > 8.399 ) and bondedto
      (attr store1 < 122.81  and attr store1 > 122.01 ))
6 0.1 0.1 peak 442 volume 9.40520 ppm1 8.429 ppm2 4.015
 
! ############### n15noe.443 NOT folded
assi (attr store1 < 2.165 and attr store1 > 2.065 ) 
     ((attr store1 < 8.459 and attr store1 > 8.399 ) and bondedto
      (attr store1 < 122.787  and attr store1 > 121.987 ))
6 0.1 0.1 peak 443 volume 5.16423 ppm1 8.429 ppm2 2.115
 
! ############### n15noe.444 NOT folded
assi (attr store1 < 7.626 and attr store1 > 7.526 ) 
     ((attr store1 < 8.454 and attr store1 > 8.394 ) and bondedto
      (attr store1 < 122.822  and attr store1 > 122.022 ))
6 0.1 0.1 peak 444 volume 13.21667 ppm1 8.424 ppm2 7.576
 
! ############### n15noe.445 NOT folded
assi (attr store1 < 4.051 and attr store1 > 3.951 ) 
     ((attr store1 < 8.454 and attr store1 > 8.394 ) and bondedto
      (attr store1 < 122.809  and attr store1 > 122.009 ))
6 0.1 0.1 peak 445 volume 9.24656 ppm1 8.424 ppm2 4.001
 
! ############### n15noe.446 NOT folded
assi (attr store1 < 1.704 and attr store1 > 1.604 ) 
     ((attr store1 < 8.456 and attr store1 > 8.396 ) and bondedto
      (attr store1 < 122.812  and attr store1 > 122.012 ))
6 0.1 0.1 peak 446 volume 35.95822 ppm1 8.426 ppm2 1.654
 
! ############### n15noe.447 NOT folded
assi (attr store1 < 2.1 and attr store1 > 2.0 ) 
     ((attr store1 < 8.451 and attr store1 > 8.391 ) and bondedto
      (attr store1 < 122.803  and attr store1 > 122.003 ))
6 0.1 0.1 peak 447 volume 6.63648 ppm1 8.421 ppm2 2.050
 
! ############### n15noe.448 NOT folded
assi (attr store1 < 1.488 and attr store1 > 1.388 ) 
     ((attr store1 < 8.451 and attr store1 > 8.391 ) and bondedto
      (attr store1 < 122.822  and attr store1 > 122.022 ))
6 0.1 0.1 peak 448 volume 7.45220 ppm1 8.421 ppm2 1.438
 
! ############### n15noe.449 NOT folded
assi (attr store1 < 1.91 and attr store1 > 1.81 ) 
     ((attr store1 < 8.409 and attr store1 > 8.349 ) and bondedto
      (attr store1 < 122.826  and attr store1 > 122.026 ))
6 0.1 0.1 peak 449 volume 7.27448 ppm1 8.379 ppm2 1.860
 
! ############### n15noe.450 NOT folded
assi (attr store1 < 1.636 and attr store1 > 1.536 ) 
     ((attr store1 < 8.408 and attr store1 > 8.348 ) and bondedto
      (attr store1 < 122.816  and attr store1 > 122.016 ))
6 0.1 0.1 peak 450 volume 5.19917 ppm1 8.378 ppm2 1.586
 
! ############### n15noe.451 NOT folded
assi (attr store1 < 7.864 and attr store1 > 7.764 ) 
     ((attr store1 < 8.403 and attr store1 > 8.343 ) and bondedto
      (attr store1 < 122.828  and attr store1 > 122.028 ))
6 0.1 0.1 peak 451 volume 16.51562 ppm1 8.373 ppm2 7.814
 
! ############### n15noe.452 NOT folded
assi (attr store1 < 4.454 and attr store1 > 4.354 ) 
     ((attr store1 < 8.405 and attr store1 > 8.345 ) and bondedto
      (attr store1 < 122.817  and attr store1 > 122.017 ))
6 0.1 0.1 peak 452 volume 4.81527 ppm1 8.375 ppm2 4.404
 
! ############### n15noe.453 NOT folded
assi (attr store1 < 4.086 and attr store1 > 3.986 ) 
     ((attr store1 < 8.402 and attr store1 > 8.342 ) and bondedto
      (attr store1 < 122.821  and attr store1 > 122.021 ))
6 0.1 0.1 peak 453 volume 19.33852 ppm1 8.372 ppm2 4.036
 
! ############### n15noe.454 NOT folded
assi (attr store1 < 3.336 and attr store1 > 3.236 ) 
     ((attr store1 < 8.403 and attr store1 > 8.343 ) and bondedto
      (attr store1 < 122.857  and attr store1 > 122.057 ))
6 0.1 0.1 peak 454 volume 4.42903 ppm1 8.373 ppm2 3.286
 
! ############### n15noe.455 NOT folded
assi (attr store1 < 2.293 and attr store1 > 2.193 ) 
     ((attr store1 < 8.406 and attr store1 > 8.346 ) and bondedto
      (attr store1 < 122.841  and attr store1 > 122.041 ))
6 0.1 0.1 peak 455 volume 4.91581 ppm1 8.376 ppm2 2.243
 
! ############### n15noe.456 NOT folded
assi (attr store1 < 7.974 and attr store1 > 7.874 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 122.831  and attr store1 > 122.031 ))
6 0.1 0.1 peak 456 volume 14.62504 ppm1 8.368 ppm2 7.924
 
! ############### n15noe.457 NOT folded
assi (attr store1 < 7.45 and attr store1 > 7.35 ) 
     ((attr store1 < 8.397 and attr store1 > 8.337 ) and bondedto
      (attr store1 < 122.82  and attr store1 > 122.02 ))
6 0.1 0.1 peak 457 volume 5.57896 ppm1 8.367 ppm2 7.400
 
! ############### n15noe.458 NOT folded
assi (attr store1 < 4.159 and attr store1 > 4.059 ) 
     ((attr store1 < 8.401 and attr store1 > 8.341 ) and bondedto
      (attr store1 < 122.821  and attr store1 > 122.021 ))
6 0.1 0.1 peak 458 volume 16.90357 ppm1 8.371 ppm2 4.109
 
! ############### n15noe.459 NOT folded
assi (attr store1 < 2.566 and attr store1 > 2.466 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 122.861  and attr store1 > 122.061 ))
6 0.1 0.1 peak 459 volume 3.73101 ppm1 8.368 ppm2 2.516
 
! ############### n15noe.460 NOT folded
assi (attr store1 < 2.098 and attr store1 > 1.998 ) 
     ((attr store1 < 8.401 and attr store1 > 8.341 ) and bondedto
      (attr store1 < 122.828  and attr store1 > 122.028 ))
6 0.1 0.1 peak 460 volume 24.13663 ppm1 8.371 ppm2 2.048
 
! ############### n15noe.461 NOT folded
assi (attr store1 < 1.726 and attr store1 > 1.626 ) 
     ((attr store1 < 8.401 and attr store1 > 8.341 ) and bondedto
      (attr store1 < 122.846  and attr store1 > 122.046 ))
6 0.1 0.1 peak 461 volume 21.28715 ppm1 8.371 ppm2 1.676
 
! ############### n15noe.462 NOT folded
assi (attr store1 < 1.31 and attr store1 > 1.21 ) 
     ((attr store1 < 8.401 and attr store1 > 8.341 ) and bondedto
      (attr store1 < 122.818  and attr store1 > 122.018 ))
6 0.1 0.1 peak 462 volume 4.72608 ppm1 8.371 ppm2 1.260
 
! ############### n15noe.463 NOT folded
assi (attr store1 < 2.264 and attr store1 > 2.164 ) 
     ((attr store1 < 8.39 and attr store1 > 8.33 ) and bondedto
      (attr store1 < 122.854  and attr store1 > 122.054 ))
6 0.1 0.1 peak 463 volume 4.55175 ppm1 8.360 ppm2 2.214
 
! ############### n15noe.464 NOT folded
assi (attr store1 < 8.024 and attr store1 > 7.924 ) 
     ((attr store1 < 9.212 and attr store1 > 9.152 ) and bondedto
      (attr store1 < 122.704  and attr store1 > 121.904 ))
6 0.1 0.1 peak 464 volume 16.59092 ppm1 9.182 ppm2 7.974
 
! ############### n15noe.465 NOT folded
assi (attr store1 < 4.377 and attr store1 > 4.277 ) 
     ((attr store1 < 9.211 and attr store1 > 9.151 ) and bondedto
      (attr store1 < 122.678  and attr store1 > 121.878 ))
6 0.1 0.1 peak 465 volume 5.33125 ppm1 9.181 ppm2 4.327
 
! ############### n15noe.466 NOT folded
assi (attr store1 < 4.072 and attr store1 > 3.972 ) 
     ((attr store1 < 9.21 and attr store1 > 9.15 ) and bondedto
      (attr store1 < 122.724  and attr store1 > 121.924 ))
6 0.1 0.1 peak 466 volume 5.31222 ppm1 9.180 ppm2 4.022
 
! ############### n15noe.467 NOT folded
assi (attr store1 < 2.943 and attr store1 > 2.843 ) 
     ((attr store1 < 9.212 and attr store1 > 9.152 ) and bondedto
      (attr store1 < 122.696  and attr store1 > 121.896 ))
6 0.1 0.1 peak 467 volume 9.84978 ppm1 9.182 ppm2 2.893
 
! ############### n15noe.468 NOT folded
assi (attr store1 < 2.1 and attr store1 > 2.0 ) 
     ((attr store1 < 9.213 and attr store1 > 9.153 ) and bondedto
      (attr store1 < 122.69  and attr store1 > 121.89 ))
6 0.1 0.1 peak 468 volume 12.86088 ppm1 9.183 ppm2 2.050
 
! ############### n15noe.469 NOT folded
assi (attr store1 < 0.948 and attr store1 > 0.848 ) 
     ((attr store1 < 9.211 and attr store1 > 9.151 ) and bondedto
      (attr store1 < 122.689  and attr store1 > 121.889 ))
6 0.1 0.1 peak 469 volume 23.27577 ppm1 9.181 ppm2 0.898
 
! ############### n15noe.470 NOT folded
assi (attr store1 < 3.355 and attr store1 > 3.255 ) 
     ((attr store1 < 8.466 and attr store1 > 8.406 ) and bondedto
      (attr store1 < 122.749  and attr store1 > 121.949 ))
6 0.1 0.1 peak 470 volume 4.57187 ppm1 8.436 ppm2 3.305
 
! ############### n15noe.471 NOT folded
assi (attr store1 < 2.42 and attr store1 > 2.32 ) 
     ((attr store1 < 8.46 and attr store1 > 8.4 ) and bondedto
      (attr store1 < 122.742  and attr store1 > 121.942 ))
6 0.1 0.1 peak 471 volume 4.34430 ppm1 8.430 ppm2 2.370
 
! ############### n15noe.472 NOT folded
assi (attr store1 < 0.442 and attr store1 > 0.342 ) 
     ((attr store1 < 8.455 and attr store1 > 8.395 ) and bondedto
      (attr store1 < 122.771  and attr store1 > 121.971 ))
6 0.1 0.1 peak 472 volume 4.18891 ppm1 8.425 ppm2 0.392
 
! ############### n15noe.473 NOT folded
assi (attr store1 < 1.879 and attr store1 > 1.779 ) 
     ((attr store1 < 8.449 and attr store1 > 8.389 ) and bondedto
      (attr store1 < 122.729  and attr store1 > 121.929 ))
6 0.1 0.1 peak 473 volume 4.88708 ppm1 8.419 ppm2 1.829
 
! ############### n15noe.474 NOT folded
assi (attr store1 < 2.742 and attr store1 > 2.642 ) 
     ((attr store1 < 8.409 and attr store1 > 8.349 ) and bondedto
      (attr store1 < 122.768  and attr store1 > 121.968 ))
6 0.1 0.1 peak 474 volume 5.63073 ppm1 8.379 ppm2 2.692
 
! ############### n15noe.475 NOT folded
assi (attr store1 < 1.291 and attr store1 > 1.191 ) 
     ((attr store1 < 8.406 and attr store1 > 8.346 ) and bondedto
      (attr store1 < 122.766  and attr store1 > 121.966 ))
6 0.1 0.1 peak 475 volume 4.67466 ppm1 8.376 ppm2 1.241
 
! ############### n15noe.476 NOT folded
assi (attr store1 < 2.371 and attr store1 > 2.271 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 122.764  and attr store1 > 121.964 ))
6 0.1 0.1 peak 476 volume 3.91086 ppm1 8.368 ppm2 2.321
 
! ############### n15noe.477 NOT folded
assi (attr store1 < 2.208 and attr store1 > 2.108 ) 
     ((attr store1 < 8.399 and attr store1 > 8.339 ) and bondedto
      (attr store1 < 122.733  and attr store1 > 121.933 ))
6 0.1 0.1 peak 477 volume 6.83074 ppm1 8.369 ppm2 2.158
 
! ############### n15noe.478 NOT folded
assi (attr store1 < 1.623 and attr store1 > 1.523 ) 
     ((attr store1 < 8.399 and attr store1 > 8.339 ) and bondedto
      (attr store1 < 122.73  and attr store1 > 121.93 ))
6 0.1 0.1 peak 478 volume 6.26503 ppm1 8.369 ppm2 1.573
 
! ############### n15noe.479 NOT folded
assi (attr store1 < 2.0 and attr store1 > 1.9 ) 
     ((attr store1 < 8.396 and attr store1 > 8.336 ) and bondedto
      (attr store1 < 122.753  and attr store1 > 121.953 ))
6 0.1 0.1 peak 479 volume 4.44008 ppm1 8.366 ppm2 1.950
 
! ############### n15noe.480 NOT folded
assi (attr store1 < 2.37 and attr store1 > 2.27 ) 
     ((attr store1 < 8.391 and attr store1 > 8.331 ) and bondedto
      (attr store1 < 122.725  and attr store1 > 121.925 ))
6 0.1 0.1 peak 480 volume 3.63124 ppm1 8.361 ppm2 2.320
 
! ############### n15noe.481 NOT folded
assi (attr store1 < 1.444 and attr store1 > 1.344 ) 
     ((attr store1 < 9.222 and attr store1 > 9.162 ) and bondedto
      (attr store1 < 122.64  and attr store1 > 121.84 ))
6 0.1 0.1 peak 481 volume 3.59099 ppm1 9.192 ppm2 1.394
 
! ############### n15noe.482 NOT folded
assi (attr store1 < 1.056 and attr store1 > 0.956 ) 
     ((attr store1 < 9.219 and attr store1 > 9.159 ) and bondedto
      (attr store1 < 122.647  and attr store1 > 121.847 ))
6 0.1 0.1 peak 482 volume 4.14444 ppm1 9.189 ppm2 1.006
 
! ############### n15noe.483 NOT folded
assi (attr store1 < 3.54 and attr store1 > 3.44 ) 
     ((attr store1 < 9.211 and attr store1 > 9.151 ) and bondedto
      (attr store1 < 122.675  and attr store1 > 121.875 ))
6 0.1 0.1 peak 483 volume 5.98158 ppm1 9.181 ppm2 3.490
 
! ############### n15noe.484 NOT folded
assi (attr store1 < 2.568 and attr store1 > 2.468 ) 
     ((attr store1 < 9.211 and attr store1 > 9.151 ) and bondedto
      (attr store1 < 122.672  and attr store1 > 121.872 ))
6 0.1 0.1 peak 484 volume 7.87111 ppm1 9.181 ppm2 2.518
 
! ############### n15noe.485 NOT folded
assi (attr store1 < 1.57 and attr store1 > 1.47 ) 
     ((attr store1 < 9.213 and attr store1 > 9.153 ) and bondedto
      (attr store1 < 122.663  and attr store1 > 121.863 ))
6 0.1 0.1 peak 485 volume 6.56600 ppm1 9.183 ppm2 1.520
 
! ############### n15noe.486 NOT folded
assi (attr store1 < 8.52 and attr store1 > 8.42 ) 
     ((attr store1 < 9.21 and attr store1 > 9.15 ) and bondedto
      (attr store1 < 122.662  and attr store1 > 121.862 ))
6 0.1 0.1 peak 486 volume 13.93361 ppm1 9.180 ppm2 8.470
 
! ############### n15noe.487 NOT folded
assi (attr store1 < 4.715 and attr store1 > 4.615 ) 
     ((attr store1 < 9.207 and attr store1 > 9.147 ) and bondedto
      (attr store1 < 122.655  and attr store1 > 121.855 ))
6 0.1 0.1 peak 487 volume 12.72605 ppm1 9.177 ppm2 4.665
 
! ############### n15noe.488 NOT folded
assi (attr store1 < 7.643 and attr store1 > 7.543 ) 
     ((attr store1 < 8.853 and attr store1 > 8.793 ) and bondedto
      (attr store1 < 122.627  and attr store1 > 121.827 ))
6 0.1 0.1 peak 488 volume 10.98935 ppm1 8.823 ppm2 7.593
 
! ############### n15noe.489 NOT folded
assi (attr store1 < 4.073 and attr store1 > 3.973 ) 
     ((attr store1 < 8.849 and attr store1 > 8.789 ) and bondedto
      (attr store1 < 122.634  and attr store1 > 121.834 ))
6 0.1 0.1 peak 489 volume 4.78966 ppm1 8.819 ppm2 4.023
 
! ############### n15noe.490 NOT folded
assi (attr store1 < 1.912 and attr store1 > 1.812 ) 
     ((attr store1 < 8.847 and attr store1 > 8.787 ) and bondedto
      (attr store1 < 122.622  and attr store1 > 121.822 ))
6 0.1 0.1 peak 490 volume 18.95969 ppm1 8.817 ppm2 1.862
 
! ############### n15noe.491 NOT folded
assi (attr store1 < 1.821 and attr store1 > 1.721 ) 
     ((attr store1 < 8.849 and attr store1 > 8.789 ) and bondedto
      (attr store1 < 122.638  and attr store1 > 121.838 ))
6 0.1 0.1 peak 491 volume 5.43530 ppm1 8.819 ppm2 1.771
 
! ############### n15noe.492 NOT folded
assi (attr store1 < 1.466 and attr store1 > 1.366 ) 
     ((attr store1 < 8.849 and attr store1 > 8.789 ) and bondedto
      (attr store1 < 122.638  and attr store1 > 121.838 ))
6 0.1 0.1 peak 492 volume 6.90295 ppm1 8.819 ppm2 1.416
 
! ############### n15noe.493 NOT folded
assi (attr store1 < 0.94 and attr store1 > 0.84 ) 
     ((attr store1 < 8.849 and attr store1 > 8.789 ) and bondedto
      (attr store1 < 122.65  and attr store1 > 121.85 ))
6 0.1 0.1 peak 493 volume 19.27084 ppm1 8.819 ppm2 0.890
 
! ############### n15noe.494 NOT folded
assi (attr store1 < 7.641 and attr store1 > 7.541 ) 
     ((attr store1 < 8.843 and attr store1 > 8.783 ) and bondedto
      (attr store1 < 122.644  and attr store1 > 121.844 ))
6 0.1 0.1 peak 494 volume 11.81454 ppm1 8.813 ppm2 7.591
 
! ############### n15noe.495 NOT folded
assi (attr store1 < 3.783 and attr store1 > 3.683 ) 
     ((attr store1 < 8.847 and attr store1 > 8.787 ) and bondedto
      (attr store1 < 122.644  and attr store1 > 121.844 ))
6 0.1 0.1 peak 495 volume 12.11910 ppm1 8.817 ppm2 3.733
 
! ############### n15noe.496 NOT folded
assi (attr store1 < 2.411 and attr store1 > 2.311 ) 
     ((attr store1 < 8.842 and attr store1 > 8.782 ) and bondedto
      (attr store1 < 122.603  and attr store1 > 121.803 ))
6 0.1 0.1 peak 496 volume 8.07264 ppm1 8.812 ppm2 2.361
 
! ############### n15noe.497 NOT folded
assi (attr store1 < 2.101 and attr store1 > 2.001 ) 
     ((attr store1 < 8.844 and attr store1 > 8.784 ) and bondedto
      (attr store1 < 122.614  and attr store1 > 121.814 ))
6 0.1 0.1 peak 497 volume 17.77444 ppm1 8.814 ppm2 2.051
 
! ############### n15noe.498 NOT folded
assi (attr store1 < 1.742 and attr store1 > 1.642 ) 
     ((attr store1 < 8.846 and attr store1 > 8.786 ) and bondedto
      (attr store1 < 122.622  and attr store1 > 121.822 ))
6 0.1 0.1 peak 498 volume 7.30046 ppm1 8.816 ppm2 1.692
 
! ############### n15noe.499 NOT folded
assi (attr store1 < 1.056 and attr store1 > 0.956 ) 
     ((attr store1 < 8.844 and attr store1 > 8.784 ) and bondedto
      (attr store1 < 122.621  and attr store1 > 121.821 ))
6 0.1 0.1 peak 499 volume 10.33245 ppm1 8.814 ppm2 1.006
 
! ############### n15noe.500 NOT folded
assi (attr store1 < 8.269 and attr store1 > 8.169 ) 
     ((attr store1 < 8.841 and attr store1 > 8.781 ) and bondedto
      (attr store1 < 122.616  and attr store1 > 121.816 ))
6 0.1 0.1 peak 500 volume 13.83877 ppm1 8.811 ppm2 8.219
 
! ############### n15noe.501 NOT folded
assi (attr store1 < 2.863 and attr store1 > 2.763 ) 
     ((attr store1 < 8.841 and attr store1 > 8.781 ) and bondedto
      (attr store1 < 122.631  and attr store1 > 121.831 ))
6 0.1 0.1 peak 501 volume 3.67512 ppm1 8.811 ppm2 2.813
 
! ############### n15noe.502 NOT folded
assi (attr store1 < 1.464 and attr store1 > 1.364 ) 
     ((attr store1 < 8.84 and attr store1 > 8.78 ) and bondedto
      (attr store1 < 122.623  and attr store1 > 121.823 ))
6 0.1 0.1 peak 502 volume 6.74146 ppm1 8.810 ppm2 1.414
 
! ############### n15noe.503 NOT folded
assi (attr store1 < 0.941 and attr store1 > 0.841 ) 
     ((attr store1 < 8.841 and attr store1 > 8.781 ) and bondedto
      (attr store1 < 122.669  and attr store1 > 121.869 ))
6 0.1 0.1 peak 503 volume 16.91035 ppm1 8.811 ppm2 0.891
 
! ############### n15noe.504 NOT folded
assi (attr store1 < 4.282 and attr store1 > 4.182 ) 
     ((attr store1 < 8.834 and attr store1 > 8.774 ) and bondedto
      (attr store1 < 122.623  and attr store1 > 121.823 ))
6 0.1 0.1 peak 504 volume 13.15386 ppm1 8.804 ppm2 4.232
 
! ############### n15noe.505 NOT folded
assi (attr store1 < 3.621 and attr store1 > 3.521 ) 
     ((attr store1 < 8.832 and attr store1 > 8.772 ) and bondedto
      (attr store1 < 122.611  and attr store1 > 121.811 ))
6 0.1 0.1 peak 505 volume 8.18763 ppm1 8.802 ppm2 3.571
 
! ############### n15noe.506 NOT folded
assi (attr store1 < 2.201 and attr store1 > 2.101 ) 
     ((attr store1 < 8.831 and attr store1 > 8.771 ) and bondedto
      (attr store1 < 122.619  and attr store1 > 121.819 ))
6 0.1 0.1 peak 506 volume 21.15021 ppm1 8.801 ppm2 2.151
 
! ############### n15noe.507 NOT folded
assi (attr store1 < 1.826 and attr store1 > 1.726 ) 
     ((attr store1 < 8.833 and attr store1 > 8.773 ) and bondedto
      (attr store1 < 122.646  and attr store1 > 121.846 ))
6 0.1 0.1 peak 507 volume 5.30086 ppm1 8.803 ppm2 1.776
 
! ############### n15noe.508 NOT folded
assi (attr store1 < 0.55 and attr store1 > 0.45 ) 
     ((attr store1 < 8.831 and attr store1 > 8.771 ) and bondedto
      (attr store1 < 122.627  and attr store1 > 121.827 ))
6 0.1 0.1 peak 508 volume 4.44591 ppm1 8.801 ppm2 0.500
 
! ############### n15noe.509 NOT folded
assi (attr store1 < 8.417 and attr store1 > 8.317 ) 
     ((attr store1 < 8.826 and attr store1 > 8.766 ) and bondedto
      (attr store1 < 122.583  and attr store1 > 121.783 ))
6 0.1 0.1 peak 509 volume 14.60880 ppm1 8.796 ppm2 8.367
 
! ############### n15noe.510 NOT folded
assi (attr store1 < 7.812 and attr store1 > 7.712 ) 
     ((attr store1 < 8.827 and attr store1 > 8.767 ) and bondedto
      (attr store1 < 122.619  and attr store1 > 121.819 ))
6 0.1 0.1 peak 510 volume 19.68234 ppm1 8.797 ppm2 7.762
 
! ############### n15noe.511 NOT folded
assi (attr store1 < 4.241 and attr store1 > 4.141 ) 
     ((attr store1 < 8.827 and attr store1 > 8.767 ) and bondedto
      (attr store1 < 122.607  and attr store1 > 121.807 ))
6 0.1 0.1 peak 511 volume 11.45064 ppm1 8.797 ppm2 4.191
 
! ############### n15noe.512 NOT folded
assi (attr store1 < 2.322 and attr store1 > 2.222 ) 
     ((attr store1 < 8.828 and attr store1 > 8.768 ) and bondedto
      (attr store1 < 122.594  and attr store1 > 121.794 ))
6 0.1 0.1 peak 512 volume 30.32044 ppm1 8.798 ppm2 2.272
 
! ############### n15noe.513 NOT folded
assi (attr store1 < 1.95 and attr store1 > 1.85 ) 
     ((attr store1 < 8.828 and attr store1 > 8.768 ) and bondedto
      (attr store1 < 122.586  and attr store1 > 121.786 ))
6 0.1 0.1 peak 513 volume 20.71917 ppm1 8.798 ppm2 1.900
 
! ############### n15noe.514 NOT folded
assi (attr store1 < 4.185 and attr store1 > 4.085 ) 
     ((attr store1 < 8.823 and attr store1 > 8.763 ) and bondedto
      (attr store1 < 122.621  and attr store1 > 121.821 ))
6 0.1 0.1 peak 514 volume 16.33243 ppm1 8.793 ppm2 4.135
 
! ############### n15noe.515 NOT folded
assi (attr store1 < 2.491 and attr store1 > 2.391 ) 
     ((attr store1 < 8.825 and attr store1 > 8.765 ) and bondedto
      (attr store1 < 122.604  and attr store1 > 121.804 ))
6 0.1 0.1 peak 515 volume 19.17953 ppm1 8.795 ppm2 2.441
 
! ############### n15noe.516 NOT folded
assi (attr store1 < 4.477 and attr store1 > 4.377 ) 
     ((attr store1 < 8.484 and attr store1 > 8.424 ) and bondedto
      (attr store1 < 122.591  and attr store1 > 121.791 ))
6 0.1 0.1 peak 516 volume 17.19983 ppm1 8.454 ppm2 4.427
 
! ############### n15noe.517 NOT folded
assi (attr store1 < 4.386 and attr store1 > 4.286 ) 
     ((attr store1 < 8.48 and attr store1 > 8.42 ) and bondedto
      (attr store1 < 122.625  and attr store1 > 121.825 ))
6 0.1 0.1 peak 517 volume 3.85044 ppm1 8.450 ppm2 4.336
 
! ############### n15noe.518 NOT folded
assi (attr store1 < 2.434 and attr store1 > 2.334 ) 
     ((attr store1 < 8.482 and attr store1 > 8.422 ) and bondedto
      (attr store1 < 122.653  and attr store1 > 121.853 ))
6 0.1 0.1 peak 518 volume 4.86608 ppm1 8.452 ppm2 2.384
 
! ############### n15noe.519 NOT folded
assi (attr store1 < 4.564 and attr store1 > 4.464 ) 
     ((attr store1 < 8.47 and attr store1 > 8.41 ) and bondedto
      (attr store1 < 122.63  and attr store1 > 121.83 ))
6 0.1 0.1 peak 519 volume 6.42839 ppm1 8.440 ppm2 4.514
 
! ############### n15noe.520 NOT folded
assi (attr store1 < 1.946 and attr store1 > 1.846 ) 
     ((attr store1 < 8.445 and attr store1 > 8.385 ) and bondedto
      (attr store1 < 122.629  and attr store1 > 121.829 ))
6 0.1 0.1 peak 520 volume 5.57873 ppm1 8.415 ppm2 1.896
 
! ############### n15noe.521 NOT folded
assi (attr store1 < 4.487 and attr store1 > 4.387 ) 
     ((attr store1 < 8.427 and attr store1 > 8.367 ) and bondedto
      (attr store1 < 122.618  and attr store1 > 121.818 ))
6 0.1 0.1 peak 521 volume 3.83421 ppm1 8.397 ppm2 4.437
 
! ############### n15noe.522 NOT folded
assi (attr store1 < 7.211 and attr store1 > 7.111 ) 
     ((attr store1 < 8.848 and attr store1 > 8.788 ) and bondedto
      (attr store1 < 122.5  and attr store1 > 121.7 ))
6 0.1 0.1 peak 522 volume 4.21346 ppm1 8.818 ppm2 7.161
 
! ############### n15noe.523 NOT folded
assi (attr store1 < 0.817 and attr store1 > 0.717 ) 
     ((attr store1 < 8.827 and attr store1 > 8.767 ) and bondedto
      (attr store1 < 122.567  and attr store1 > 121.767 ))
6 0.1 0.1 peak 523 volume 15.54734 ppm1 8.797 ppm2 0.767
 
! ############### n15noe.524 NOT folded
assi (attr store1 < 7.821 and attr store1 > 7.721 ) 
     ((attr store1 < 8.482 and attr store1 > 8.422 ) and bondedto
      (attr store1 < 122.573  and attr store1 > 121.773 ))
6 0.1 0.1 peak 524 volume 18.67219 ppm1 8.452 ppm2 7.771
 
! ############### n15noe.525 NOT folded
assi (attr store1 < 4.309 and attr store1 > 4.209 ) 
     ((attr store1 < 8.482 and attr store1 > 8.422 ) and bondedto
      (attr store1 < 122.548  and attr store1 > 121.748 ))
6 0.1 0.1 peak 525 volume 5.00597 ppm1 8.452 ppm2 4.259
 
! ############### n15noe.526 NOT folded
assi (attr store1 < 4.05 and attr store1 > 3.95 ) 
     ((attr store1 < 8.481 and attr store1 > 8.421 ) and bondedto
      (attr store1 < 122.505  and attr store1 > 121.705 ))
6 0.1 0.1 peak 526 volume 6.49605 ppm1 8.451 ppm2 4.000
 
! ############### n15noe.527 NOT folded
assi (attr store1 < 3.855 and attr store1 > 3.755 ) 
     ((attr store1 < 8.481 and attr store1 > 8.421 ) and bondedto
      (attr store1 < 122.533  and attr store1 > 121.733 ))
6 0.1 0.1 peak 527 volume 8.55758 ppm1 8.451 ppm2 3.805
 
! ############### n15noe.528 NOT folded
assi (attr store1 < 3.451 and attr store1 > 3.351 ) 
     ((attr store1 < 8.482 and attr store1 > 8.422 ) and bondedto
      (attr store1 < 122.545  and attr store1 > 121.745 ))
6 0.1 0.1 peak 528 volume 7.17672 ppm1 8.452 ppm2 3.401
 
! ############### n15noe.529 NOT folded
assi (attr store1 < 2.918 and attr store1 > 2.818 ) 
     ((attr store1 < 8.481 and attr store1 > 8.421 ) and bondedto
      (attr store1 < 122.542  and attr store1 > 121.742 ))
6 0.1 0.1 peak 529 volume 27.21930 ppm1 8.451 ppm2 2.868
 
! ############### n15noe.530 NOT folded
assi (attr store1 < 2.712 and attr store1 > 2.612 ) 
     ((attr store1 < 8.481 and attr store1 > 8.421 ) and bondedto
      (attr store1 < 122.559  and attr store1 > 121.759 ))
6 0.1 0.1 peak 530 volume 22.21970 ppm1 8.451 ppm2 2.662
 
! ############### n15noe.531 NOT folded
assi (attr store1 < 2.548 and attr store1 > 2.448 ) 
     ((attr store1 < 8.48 and attr store1 > 8.42 ) and bondedto
      (attr store1 < 122.535  and attr store1 > 121.735 ))
6 0.1 0.1 peak 531 volume 4.53901 ppm1 8.450 ppm2 2.498
 
! ############### n15noe.532 NOT folded
assi (attr store1 < 2.263 and attr store1 > 2.163 ) 
     ((attr store1 < 8.482 and attr store1 > 8.422 ) and bondedto
      (attr store1 < 122.569  and attr store1 > 121.769 ))
6 0.1 0.1 peak 532 volume 18.47076 ppm1 8.452 ppm2 2.213
 
! ############### n15noe.533 NOT folded
assi (attr store1 < 1.083 and attr store1 > 0.983 ) 
     ((attr store1 < 8.482 and attr store1 > 8.422 ) and bondedto
      (attr store1 < 122.556  and attr store1 > 121.756 ))
6 0.1 0.1 peak 533 volume 11.09551 ppm1 8.452 ppm2 1.033
 
! ############### n15noe.534 NOT folded
assi (attr store1 < 8.978 and attr store1 > 8.878 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 122.486  and attr store1 > 121.686 ))
6 0.1 0.1 peak 534 volume 10.85970 ppm1 8.447 ppm2 8.928
 
! ############### n15noe.535 NOT folded
assi (attr store1 < 4.288 and attr store1 > 4.188 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 122.521  and attr store1 > 121.721 ))
6 0.1 0.1 peak 535 volume 4.67543 ppm1 8.447 ppm2 4.238
 
! ############### n15noe.536 NOT folded
assi (attr store1 < 4.185 and attr store1 > 4.085 ) 
     ((attr store1 < 8.479 and attr store1 > 8.419 ) and bondedto
      (attr store1 < 122.528  and attr store1 > 121.728 ))
6 0.1 0.1 peak 536 volume 24.42666 ppm1 8.449 ppm2 4.135
 
! ############### n15noe.537 NOT folded
assi (attr store1 < 4.025 and attr store1 > 3.925 ) 
     ((attr store1 < 8.475 and attr store1 > 8.415 ) and bondedto
      (attr store1 < 122.561  and attr store1 > 121.761 ))
6 0.1 0.1 peak 537 volume 6.43003 ppm1 8.445 ppm2 3.975
 
! ############### n15noe.538 NOT folded
assi (attr store1 < 3.937 and attr store1 > 3.837 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 122.545  and attr store1 > 121.745 ))
6 0.1 0.1 peak 538 volume 4.93340 ppm1 8.446 ppm2 3.887
 
! ############### n15noe.539 NOT folded
assi (attr store1 < 2.164 and attr store1 > 2.064 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 122.579  and attr store1 > 121.779 ))
6 0.1 0.1 peak 539 volume 4.77975 ppm1 8.447 ppm2 2.114
 
! ############### n15noe.540 NOT folded
assi (attr store1 < 1.498 and attr store1 > 1.398 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 122.537  and attr store1 > 121.737 ))
6 0.1 0.1 peak 540 volume 10.25047 ppm1 8.446 ppm2 1.448
 
! ############### n15noe.541 NOT folded
assi (attr store1 < 0.958 and attr store1 > 0.858 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 122.5  and attr store1 > 121.7 ))
6 0.1 0.1 peak 541 volume 24.70916 ppm1 8.447 ppm2 0.908
 
! ############### n15noe.542 NOT folded
assi (attr store1 < 0.889 and attr store1 > 0.789 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 122.537  and attr store1 > 121.737 ))
6 0.1 0.1 peak 542 volume 23.38067 ppm1 8.447 ppm2 0.839
 
! ############### n15noe.543 NOT folded
assi (attr store1 < 4.388 and attr store1 > 4.288 ) 
     ((attr store1 < 8.47 and attr store1 > 8.41 ) and bondedto
      (attr store1 < 122.547  and attr store1 > 121.747 ))
6 0.1 0.1 peak 543 volume 4.37716 ppm1 8.440 ppm2 4.338
 
! ############### n15noe.544 NOT folded
assi (attr store1 < 1.685 and attr store1 > 1.585 ) 
     ((attr store1 < 7.937 and attr store1 > 7.877 ) and bondedto
      (attr store1 < 122.533  and attr store1 > 121.733 ))
6 0.1 0.1 peak 544 volume 7.15217 ppm1 7.907 ppm2 1.635
 
! ############### n15noe.545 NOT folded
assi (attr store1 < 1.605 and attr store1 > 1.505 ) 
     ((attr store1 < 7.937 and attr store1 > 7.877 ) and bondedto
      (attr store1 < 122.526  and attr store1 > 121.726 ))
6 0.1 0.1 peak 545 volume 17.33392 ppm1 7.907 ppm2 1.555
 
! ############### n15noe.546 NOT folded
assi (attr store1 < 1.393 and attr store1 > 1.293 ) 
     ((attr store1 < 7.938 and attr store1 > 7.878 ) and bondedto
      (attr store1 < 122.549  and attr store1 > 121.749 ))
6 0.1 0.1 peak 546 volume 5.50791 ppm1 7.908 ppm2 1.343
 
! ############### n15noe.547 NOT folded
assi (attr store1 < 3.967 and attr store1 > 3.867 ) 
     ((attr store1 < 8.488 and attr store1 > 8.428 ) and bondedto
      (attr store1 < 122.468  and attr store1 > 121.668 ))
6 0.1 0.1 peak 547 volume 5.54321 ppm1 8.458 ppm2 3.917
 
! ############### n15noe.548 NOT folded
assi (attr store1 < 3.776 and attr store1 > 3.676 ) 
     ((attr store1 < 8.48 and attr store1 > 8.42 ) and bondedto
      (attr store1 < 122.441  and attr store1 > 121.641 ))
6 0.1 0.1 peak 548 volume 4.16622 ppm1 8.450 ppm2 3.726
 
! ############### n15noe.549 NOT folded
assi (attr store1 < 8.18 and attr store1 > 8.08 ) 
     ((attr store1 < 8.478 and attr store1 > 8.418 ) and bondedto
      (attr store1 < 122.457  and attr store1 > 121.657 ))
6 0.1 0.1 peak 549 volume 15.97195 ppm1 8.448 ppm2 8.130
 
! ############### n15noe.550 NOT folded
assi (attr store1 < 1.959 and attr store1 > 1.859 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 122.473  and attr store1 > 121.673 ))
6 0.1 0.1 peak 550 volume 11.88640 ppm1 8.447 ppm2 1.909
 
! ############### n15noe.551 NOT folded
assi (attr store1 < 1.608 and attr store1 > 1.508 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 122.467  and attr store1 > 121.667 ))
6 0.1 0.1 peak 551 volume 50.41187 ppm1 8.447 ppm2 1.558
 
! ############### n15noe.552 NOT folded
assi (attr store1 < 1.464 and attr store1 > 1.364 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 122.432  and attr store1 > 121.632 ))
6 0.1 0.1 peak 552 volume 8.67268 ppm1 8.446 ppm2 1.414
 
! ############### n15noe.553 NOT folded
assi (attr store1 < 4.199 and attr store1 > 4.099 ) 
     ((attr store1 < 8.41 and attr store1 > 8.35 ) and bondedto
      (attr store1 < 122.431  and attr store1 > 121.631 ))
6 0.1 0.1 peak 553 volume 5.11288 ppm1 8.380 ppm2 4.149
 
! ############### n15noe.554 NOT folded
assi (attr store1 < 2.094 and attr store1 > 1.994 ) 
     ((attr store1 < 8.251 and attr store1 > 8.191 ) and bondedto
      (attr store1 < 122.419  and attr store1 > 121.619 ))
6 0.1 0.1 peak 554 volume 5.70770 ppm1 8.221 ppm2 2.044
 
! ############### n15noe.555 NOT folded
assi (attr store1 < 7.207 and attr store1 > 7.107 ) 
     ((attr store1 < 8.246 and attr store1 > 8.186 ) and bondedto
      (attr store1 < 122.42  and attr store1 > 121.62 ))
6 0.1 0.1 peak 555 volume 17.35185 ppm1 8.216 ppm2 7.157
 
! ############### n15noe.556 NOT folded
assi (attr store1 < 4.319 and attr store1 > 4.219 ) 
     ((attr store1 < 8.246 and attr store1 > 8.186 ) and bondedto
      (attr store1 < 122.405  and attr store1 > 121.605 ))
6 0.1 0.1 peak 556 volume 6.22489 ppm1 8.216 ppm2 4.269
 
! ############### n15noe.557 NOT folded
assi (attr store1 < 2.717 and attr store1 > 2.617 ) 
     ((attr store1 < 8.246 and attr store1 > 8.186 ) and bondedto
      (attr store1 < 122.456  and attr store1 > 121.656 ))
6 0.1 0.1 peak 557 volume 3.69357 ppm1 8.216 ppm2 2.667
 
! ############### n15noe.558 NOT folded
assi (attr store1 < 2.613 and attr store1 > 2.513 ) 
     ((attr store1 < 8.246 and attr store1 > 8.186 ) and bondedto
      (attr store1 < 122.476  and attr store1 > 121.676 ))
6 0.1 0.1 peak 558 volume 3.50969 ppm1 8.216 ppm2 2.563
 
! ############### n15noe.559 NOT folded
assi (attr store1 < 2.425 and attr store1 > 2.325 ) 
     ((attr store1 < 8.245 and attr store1 > 8.185 ) and bondedto
      (attr store1 < 122.418  and attr store1 > 121.618 ))
6 0.1 0.1 peak 559 volume 11.41510 ppm1 8.215 ppm2 2.375
 
! ############### n15noe.560 NOT folded
assi (attr store1 < 2.31 and attr store1 > 2.21 ) 
     ((attr store1 < 8.244 and attr store1 > 8.184 ) and bondedto
      (attr store1 < 122.396  and attr store1 > 121.596 ))
6 0.1 0.1 peak 560 volume 20.31388 ppm1 8.214 ppm2 2.260
 
! ############### n15noe.561 NOT folded
assi (attr store1 < 2.188 and attr store1 > 2.088 ) 
     ((attr store1 < 8.246 and attr store1 > 8.186 ) and bondedto
      (attr store1 < 122.421  and attr store1 > 121.621 ))
6 0.1 0.1 peak 561 volume 4.89476 ppm1 8.216 ppm2 2.138
 
! ############### n15noe.562 NOT folded
assi (attr store1 < 1.963 and attr store1 > 1.863 ) 
     ((attr store1 < 8.247 and attr store1 > 8.187 ) and bondedto
      (attr store1 < 122.453  and attr store1 > 121.653 ))
6 0.1 0.1 peak 562 volume 5.35059 ppm1 8.217 ppm2 1.913
 
! ############### n15noe.563 NOT folded
assi (attr store1 < 1.062 and attr store1 > 0.962 ) 
     ((attr store1 < 8.247 and attr store1 > 8.187 ) and bondedto
      (attr store1 < 122.392  and attr store1 > 121.592 ))
6 0.1 0.1 peak 563 volume 26.94149 ppm1 8.217 ppm2 1.012
 
! ############### n15noe.564 NOT folded
assi (attr store1 < 0.941 and attr store1 > 0.841 ) 
     ((attr store1 < 8.245 and attr store1 > 8.185 ) and bondedto
      (attr store1 < 122.423  and attr store1 > 121.623 ))
6 0.1 0.1 peak 564 volume 15.84529 ppm1 8.215 ppm2 0.891
 
! ############### n15noe.565 NOT folded
assi (attr store1 < 4.074 and attr store1 > 3.974 ) 
     ((attr store1 < 8.24 and attr store1 > 8.18 ) and bondedto
      (attr store1 < 122.404  and attr store1 > 121.604 ))
6 0.1 0.1 peak 565 volume 4.81772 ppm1 8.210 ppm2 4.024
 
! ############### n15noe.566 NOT folded
assi (attr store1 < 8.699 and attr store1 > 8.599 ) 
     ((attr store1 < 8.037 and attr store1 > 7.977 ) and bondedto
      (attr store1 < 122.419  and attr store1 > 121.619 ))
6 0.1 0.1 peak 566 volume 15.09322 ppm1 8.007 ppm2 8.649
 
! ############### n15noe.567 NOT folded
assi (attr store1 < 4.101 and attr store1 > 4.001 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 122.427  and attr store1 > 121.627 ))
6 0.1 0.1 peak 567 volume 10.55252 ppm1 8.005 ppm2 4.051
 
! ############### n15noe.568 NOT folded
assi (attr store1 < 4.007 and attr store1 > 3.907 ) 
     ((attr store1 < 8.036 and attr store1 > 7.976 ) and bondedto
      (attr store1 < 122.417  and attr store1 > 121.617 ))
6 0.1 0.1 peak 568 volume 17.05847 ppm1 8.006 ppm2 3.957
 
! ############### n15noe.569 NOT folded
assi (attr store1 < 2.489 and attr store1 > 2.389 ) 
     ((attr store1 < 8.036 and attr store1 > 7.976 ) and bondedto
      (attr store1 < 122.414  and attr store1 > 121.614 ))
6 0.1 0.1 peak 569 volume 20.15395 ppm1 8.006 ppm2 2.439
 
! ############### n15noe.570 NOT folded
assi (attr store1 < 2.242 and attr store1 > 2.142 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 122.434  and attr store1 > 121.634 ))
6 0.1 0.1 peak 570 volume 12.93605 ppm1 8.005 ppm2 2.192
 
! ############### n15noe.571 NOT folded
assi (attr store1 < 2.142 and attr store1 > 2.042 ) 
     ((attr store1 < 8.037 and attr store1 > 7.977 ) and bondedto
      (attr store1 < 122.416  and attr store1 > 121.616 ))
6 0.1 0.1 peak 571 volume 3.67644 ppm1 8.007 ppm2 2.092
 
! ############### n15noe.572 NOT folded
assi (attr store1 < 1.996 and attr store1 > 1.896 ) 
     ((attr store1 < 8.038 and attr store1 > 7.978 ) and bondedto
      (attr store1 < 122.439  and attr store1 > 121.639 ))
6 0.1 0.1 peak 572 volume 4.88162 ppm1 8.008 ppm2 1.946
 
! ############### n15noe.573 NOT folded
assi (attr store1 < 1.768 and attr store1 > 1.668 ) 
     ((attr store1 < 8.036 and attr store1 > 7.976 ) and bondedto
      (attr store1 < 122.428  and attr store1 > 121.628 ))
6 0.1 0.1 peak 573 volume 5.22314 ppm1 8.006 ppm2 1.718
 
! ############### n15noe.574 NOT folded
assi (attr store1 < 1.703 and attr store1 > 1.603 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 122.418  and attr store1 > 121.618 ))
6 0.1 0.1 peak 574 volume 9.09300 ppm1 8.005 ppm2 1.653
 
! ############### n15noe.575 NOT folded
assi (attr store1 < 1.619 and attr store1 > 1.519 ) 
     ((attr store1 < 8.037 and attr store1 > 7.977 ) and bondedto
      (attr store1 < 122.417  and attr store1 > 121.617 ))
6 0.1 0.1 peak 575 volume 18.64540 ppm1 8.007 ppm2 1.569
 
! ############### n15noe.576 NOT folded
assi (attr store1 < 1.114 and attr store1 > 1.014 ) 
     ((attr store1 < 8.037 and attr store1 > 7.977 ) and bondedto
      (attr store1 < 122.412  and attr store1 > 121.612 ))
6 0.1 0.1 peak 576 volume 10.54794 ppm1 8.007 ppm2 1.064
 
! ############### n15noe.577 NOT folded
assi (attr store1 < 0.953 and attr store1 > 0.853 ) 
     ((attr store1 < 8.037 and attr store1 > 7.977 ) and bondedto
      (attr store1 < 122.424  and attr store1 > 121.624 ))
6 0.1 0.1 peak 577 volume 17.37908 ppm1 8.007 ppm2 0.903
 
! ############### n15noe.578 NOT folded
assi (attr store1 < 8.492 and attr store1 > 8.392 ) 
     ((attr store1 < 8.032 and attr store1 > 7.972 ) and bondedto
      (attr store1 < 122.393  and attr store1 > 121.593 ))
6 0.1 0.1 peak 578 volume 5.75397 ppm1 8.002 ppm2 8.442
 
! ############### n15noe.579 NOT folded
assi (attr store1 < 4.387 and attr store1 > 4.287 ) 
     ((attr store1 < 8.033 and attr store1 > 7.973 ) and bondedto
      (attr store1 < 122.409  and attr store1 > 121.609 ))
6 0.1 0.1 peak 579 volume 6.20150 ppm1 8.003 ppm2 4.337
 
! ############### n15noe.580 NOT folded
assi (attr store1 < 2.328 and attr store1 > 2.228 ) 
     ((attr store1 < 8.034 and attr store1 > 7.974 ) and bondedto
      (attr store1 < 122.427  and attr store1 > 121.627 ))
6 0.1 0.1 peak 580 volume 13.69777 ppm1 8.004 ppm2 2.278
 
! ############### n15noe.581 NOT folded
assi (attr store1 < 1.508 and attr store1 > 1.408 ) 
     ((attr store1 < 8.034 and attr store1 > 7.974 ) and bondedto
      (attr store1 < 122.408  and attr store1 > 121.608 ))
6 0.1 0.1 peak 581 volume 19.80222 ppm1 8.004 ppm2 1.458
 
! ############### n15noe.582 NOT folded
assi (attr store1 < 8.485 and attr store1 > 8.385 ) 
     ((attr store1 < 7.931 and attr store1 > 7.871 ) and bondedto
      (attr store1 < 122.483  and attr store1 > 121.683 ))
6 0.1 0.1 peak 582 volume 19.07615 ppm1 7.901 ppm2 8.435
 
! ############### n15noe.583 NOT folded
assi (attr store1 < 7.604 and attr store1 > 7.504 ) 
     ((attr store1 < 7.933 and attr store1 > 7.873 ) and bondedto
      (attr store1 < 122.454  and attr store1 > 121.654 ))
6 0.1 0.1 peak 583 volume 19.07477 ppm1 7.903 ppm2 7.554
 
! ############### n15noe.584 NOT folded
assi (attr store1 < 4.404 and attr store1 > 4.304 ) 
     ((attr store1 < 7.932 and attr store1 > 7.872 ) and bondedto
      (attr store1 < 122.445  and attr store1 > 121.645 ))
6 0.1 0.1 peak 584 volume 12.41419 ppm1 7.902 ppm2 4.354
 
! ############### n15noe.585 NOT folded
assi (attr store1 < 4.068 and attr store1 > 3.968 ) 
     ((attr store1 < 7.933 and attr store1 > 7.873 ) and bondedto
      (attr store1 < 122.464  and attr store1 > 121.664 ))
6 0.1 0.1 peak 585 volume 24.58936 ppm1 7.903 ppm2 4.018
 
! ############### n15noe.586 NOT folded
assi (attr store1 < 3.53 and attr store1 > 3.43 ) 
     ((attr store1 < 7.932 and attr store1 > 7.872 ) and bondedto
      (attr store1 < 122.434  and attr store1 > 121.634 ))
6 0.1 0.1 peak 586 volume 21.44769 ppm1 7.902 ppm2 3.480
 
! ############### n15noe.587 NOT folded
assi (attr store1 < 2.098 and attr store1 > 1.998 ) 
     ((attr store1 < 7.934 and attr store1 > 7.874 ) and bondedto
      (attr store1 < 122.443  and attr store1 > 121.643 ))
6 0.1 0.1 peak 587 volume 5.07184 ppm1 7.904 ppm2 2.048
 
! ############### n15noe.588 NOT folded
assi (attr store1 < 1.536 and attr store1 > 1.436 ) 
     ((attr store1 < 7.932 and attr store1 > 7.872 ) and bondedto
      (attr store1 < 122.457  and attr store1 > 121.657 ))
6 0.1 0.1 peak 588 volume 68.44151 ppm1 7.902 ppm2 1.486
 
! ############### n15noe.589 NOT folded
assi (attr store1 < 1.371 and attr store1 > 1.271 ) 
     ((attr store1 < 7.93 and attr store1 > 7.87 ) and bondedto
      (attr store1 < 122.459  and attr store1 > 121.659 ))
6 0.1 0.1 peak 589 volume 5.54971 ppm1 7.900 ppm2 1.321
 
! ############### n15noe.590 NOT folded
assi (attr store1 < 0.927 and attr store1 > 0.827 ) 
     ((attr store1 < 7.932 and attr store1 > 7.872 ) and bondedto
      (attr store1 < 122.433  and attr store1 > 121.633 ))
6 0.1 0.1 peak 590 volume 9.08730 ppm1 7.902 ppm2 0.877
 
! ############### n15noe.591 NOT folded
assi (attr store1 < 1.679 and attr store1 > 1.579 ) 
     ((attr store1 < 7.927 and attr store1 > 7.867 ) and bondedto
      (attr store1 < 122.451  and attr store1 > 121.651 ))
6 0.1 0.1 peak 591 volume 6.61144 ppm1 7.897 ppm2 1.629
 
! ############### n15noe.592 NOT folded
assi (attr store1 < 1.461 and attr store1 > 1.361 ) 
     ((attr store1 < 7.928 and attr store1 > 7.868 ) and bondedto
      (attr store1 < 122.45  and attr store1 > 121.65 ))
6 0.1 0.1 peak 592 volume 11.03616 ppm1 7.898 ppm2 1.411
 
! ############### n15noe.593 NOT folded
assi (attr store1 < 2.365 and attr store1 > 2.265 ) 
     ((attr store1 < 7.785 and attr store1 > 7.725 ) and bondedto
      (attr store1 < 122.396  and attr store1 > 121.596 ))
6 0.1 0.1 peak 593 volume 6.01914 ppm1 7.755 ppm2 2.315
 
! ############### n15noe.594 NOT folded
assi ( resid 131  and name HG1%)
     ( resid  77  and name HN  )
6 0.1 0.1 peak 594 volume 12.74647 ppm1 7.754 ppm2 0.931
 
! ############### n15noe.595 NOT folded
assi (attr store1 < 1.554 and attr store1 > 1.454 ) 
     ((attr store1 < 7.447 and attr store1 > 7.387 ) and bondedto
      (attr store1 < 122.413  and attr store1 > 121.613 ))
6 0.1 0.1 peak 595 volume 4.85046 ppm1 7.417 ppm2 1.504
 
! ############### n15noe.596 NOT folded
assi (attr store1 < 0.882 and attr store1 > 0.782 ) 
     ((attr store1 < 7.447 and attr store1 > 7.387 ) and bondedto
      (attr store1 < 122.42  and attr store1 > 121.62 ))
6 0.1 0.1 peak 596 volume 6.01583 ppm1 7.417 ppm2 0.832
 
! ############### n15noe.597 NOT folded
assi (attr store1 < 1.104 and attr store1 > 1.004 ) 
     ((attr store1 < 7.441 and attr store1 > 7.381 ) and bondedto
      (attr store1 < 122.401  and attr store1 > 121.601 ))
6 0.1 0.1 peak 597 volume 7.64695 ppm1 7.411 ppm2 1.054
 
! ############### n15noe.598 NOT folded
assi (attr store1 < 8.979 and attr store1 > 8.879 ) 
     ((attr store1 < 7.438 and attr store1 > 7.378 ) and bondedto
      (attr store1 < 122.426  and attr store1 > 121.626 ))
6 0.1 0.1 peak 598 volume 13.31320 ppm1 7.408 ppm2 8.929
 
! ############### n15noe.599 NOT folded
assi (attr store1 < 8.09 and attr store1 > 7.99 ) 
     ((attr store1 < 7.436 and attr store1 > 7.376 ) and bondedto
      (attr store1 < 122.411  and attr store1 > 121.611 ))
6 0.1 0.1 peak 599 volume 11.78686 ppm1 7.406 ppm2 8.040
 
! ############### n15noe.600 NOT folded
assi (attr store1 < 3.966 and attr store1 > 3.866 ) 
     ((attr store1 < 7.438 and attr store1 > 7.378 ) and bondedto
      (attr store1 < 122.446  and attr store1 > 121.646 ))
6 0.1 0.1 peak 600 volume 5.71371 ppm1 7.408 ppm2 3.916
 
! ############### n15noe.601 NOT folded
assi (attr store1 < 1.916 and attr store1 > 1.816 ) 
     ((attr store1 < 7.435 and attr store1 > 7.375 ) and bondedto
      (attr store1 < 122.435  and attr store1 > 121.635 ))
6 0.1 0.1 peak 601 volume 4.07002 ppm1 7.405 ppm2 1.866
 
! ############### n15noe.602 NOT folded
assi (attr store1 < 1.462 and attr store1 > 1.362 ) 
     ((attr store1 < 7.438 and attr store1 > 7.378 ) and bondedto
      (attr store1 < 122.422  and attr store1 > 121.622 ))
6 0.1 0.1 peak 602 volume 9.60943 ppm1 7.408 ppm2 1.412
 
! ############### n15noe.603 NOT folded
assi (attr store1 < 1.382 and attr store1 > 1.282 ) 
     ((attr store1 < 7.436 and attr store1 > 7.376 ) and bondedto
      (attr store1 < 122.401  and attr store1 > 121.601 ))
6 0.1 0.1 peak 603 volume 13.54557 ppm1 7.406 ppm2 1.332
 
! ############### n15noe.604 NOT folded
assi (attr store1 < 1.293 and attr store1 > 1.193 ) 
     ((attr store1 < 7.438 and attr store1 > 7.378 ) and bondedto
      (attr store1 < 122.405  and attr store1 > 121.605 ))
6 0.1 0.1 peak 604 volume 10.66807 ppm1 7.408 ppm2 1.243
 
! ############### n15noe.605 NOT folded
assi (attr store1 < 1.004 and attr store1 > 0.904 ) 
     ((attr store1 < 7.438 and attr store1 > 7.378 ) and bondedto
      (attr store1 < 122.415  and attr store1 > 121.615 ))
6 0.1 0.1 peak 605 volume 11.76473 ppm1 7.408 ppm2 0.954
 
! ############### n15noe.606 NOT folded
assi (attr store1 < 1.101 and attr store1 > 1.001 ) 
     ((attr store1 < 7.434 and attr store1 > 7.374 ) and bondedto
      (attr store1 < 122.421  and attr store1 > 121.621 ))
6 0.1 0.1 peak 606 volume 7.78234 ppm1 7.404 ppm2 1.051
 
! ############### n15noe.607 NOT folded
assi (attr store1 < 0.946 and attr store1 > 0.846 ) 
     ((attr store1 < 7.435 and attr store1 > 7.375 ) and bondedto
      (attr store1 < 122.405  and attr store1 > 121.605 ))
6 0.1 0.1 peak 607 volume 13.23152 ppm1 7.405 ppm2 0.896
 
! ############### n15noe.608 NOT folded
assi (attr store1 < 1.489 and attr store1 > 1.389 ) 
     ((attr store1 < 8.502 and attr store1 > 8.442 ) and bondedto
      (attr store1 < 122.383  and attr store1 > 121.583 ))
6 0.1 0.1 peak 608 volume 5.08556 ppm1 8.472 ppm2 1.439
 
! ############### n15noe.609 NOT folded
assi (attr store1 < 8.473 and attr store1 > 8.373 ) 
     ((attr store1 < 8.4 and attr store1 > 8.34 ) and bondedto
      (attr store1 < 122.328  and attr store1 > 121.528 ))
6 0.1 0.1 peak 609 volume 19.93943 ppm1 8.370 ppm2 8.423
 
! ############### n15noe.610 NOT folded
assi (attr store1 < 1.94 and attr store1 > 1.84 ) 
     ((attr store1 < 8.396 and attr store1 > 8.336 ) and bondedto
      (attr store1 < 122.306  and attr store1 > 121.506 ))
6 0.1 0.1 peak 610 volume 4.14411 ppm1 8.366 ppm2 1.890
 
! ############### n15noe.611 NOT folded
assi (attr store1 < 1.607 and attr store1 > 1.507 ) 
     ((attr store1 < 8.388 and attr store1 > 8.328 ) and bondedto
      (attr store1 < 122.374  and attr store1 > 121.574 ))
6 0.1 0.1 peak 611 volume 7.50806 ppm1 8.358 ppm2 1.557
 
! ############### n15noe.612 NOT folded
assi (attr store1 < 1.085 and attr store1 > 0.985 ) 
     ((attr store1 < 8.383 and attr store1 > 8.323 ) and bondedto
      (attr store1 < 122.341  and attr store1 > 121.541 ))
6 0.1 0.1 peak 612 volume 4.93501 ppm1 8.353 ppm2 1.035
 
! ############### n15noe.613 NOT folded
assi (attr store1 < 8.87 and attr store1 > 8.77 ) 
     ((attr store1 < 8.245 and attr store1 > 8.185 ) and bondedto
      (attr store1 < 122.382  and attr store1 > 121.582 ))
6 0.1 0.1 peak 613 volume 14.79210 ppm1 8.215 ppm2 8.820
 
! ############### n15noe.614 NOT folded
assi (attr store1 < 3.639 and attr store1 > 3.539 ) 
     ((attr store1 < 8.246 and attr store1 > 8.186 ) and bondedto
      (attr store1 < 122.37  and attr store1 > 121.57 ))
6 0.1 0.1 peak 614 volume 11.47227 ppm1 8.216 ppm2 3.589
 
! ############### n15noe.615 NOT folded
assi (attr store1 < 2.012 and attr store1 > 1.912 ) 
     ((attr store1 < 8.246 and attr store1 > 8.186 ) and bondedto
      (attr store1 < 122.355  and attr store1 > 121.555 ))
6 0.1 0.1 peak 615 volume 6.53176 ppm1 8.216 ppm2 1.962
 
! ############### n15noe.616 NOT folded
assi (attr store1 < 8.382 and attr store1 > 8.282 ) 
     ((attr store1 < 8.24 and attr store1 > 8.18 ) and bondedto
      (attr store1 < 122.347  and attr store1 > 121.547 ))
6 0.1 0.1 peak 616 volume 5.06972 ppm1 8.210 ppm2 8.332
 
! ############### n15noe.617 NOT folded
assi (attr store1 < 2.207 and attr store1 > 2.107 ) 
     ((attr store1 < 8.24 and attr store1 > 8.18 ) and bondedto
      (attr store1 < 122.363  and attr store1 > 121.563 ))
6 0.1 0.1 peak 617 volume 4.70680 ppm1 8.210 ppm2 2.157
 
! ############### n15noe.618 NOT folded
assi (attr store1 < 8.494 and attr store1 > 8.394 ) 
     ((attr store1 < 8.04 and attr store1 > 7.98 ) and bondedto
      (attr store1 < 122.385  and attr store1 > 121.585 ))
6 0.1 0.1 peak 618 volume 5.36981 ppm1 8.010 ppm2 8.444
 
! ############### n15noe.619 NOT folded
assi (attr store1 < 8.264 and attr store1 > 8.164 ) 
     ((attr store1 < 8.032 and attr store1 > 7.972 ) and bondedto
      (attr store1 < 122.357  and attr store1 > 121.557 ))
6 0.1 0.1 peak 619 volume 3.66420 ppm1 8.002 ppm2 8.214
 
! ############### n15noe.620 NOT folded
assi (attr store1 < 1.665 and attr store1 > 1.565 ) 
     ((attr store1 < 7.794 and attr store1 > 7.734 ) and bondedto
      (attr store1 < 122.34  and attr store1 > 121.54 ))
6 0.1 0.1 peak 620 volume 5.25042 ppm1 7.764 ppm2 1.615
 
! ############### n15noe.621 NOT folded
assi (attr store1 < 8.28 and attr store1 > 8.18 ) 
     ((attr store1 < 7.789 and attr store1 > 7.729 ) and bondedto
      (attr store1 < 122.358  and attr store1 > 121.558 ))
6 0.1 0.1 peak 621 volume 16.82548 ppm1 7.759 ppm2 8.230
 
! ############### n15noe.622 NOT folded
assi (attr store1 < 4.295 and attr store1 > 4.195 ) 
     ((attr store1 < 7.788 and attr store1 > 7.728 ) and bondedto
      (attr store1 < 122.301  and attr store1 > 121.501 ))
6 0.1 0.1 peak 622 volume 7.61486 ppm1 7.758 ppm2 4.245
 
! ############### n15noe.623 NOT folded
assi (attr store1 < 4.148 and attr store1 > 4.048 ) 
     ((attr store1 < 7.788 and attr store1 > 7.728 ) and bondedto
      (attr store1 < 122.354  and attr store1 > 121.554 ))
6 0.1 0.1 peak 623 volume 7.94779 ppm1 7.758 ppm2 4.098
 
! ############### n15noe.624 NOT folded
assi (attr store1 < 3.614 and attr store1 > 3.514 ) 
     ((attr store1 < 7.788 and attr store1 > 7.728 ) and bondedto
      (attr store1 < 122.354  and attr store1 > 121.554 ))
6 0.1 0.1 peak 624 volume 10.49063 ppm1 7.758 ppm2 3.564
 
! ############### n15noe.625 NOT folded
assi (attr store1 < 2.473 and attr store1 > 2.373 ) 
     ((attr store1 < 7.79 and attr store1 > 7.73 ) and bondedto
      (attr store1 < 122.347  and attr store1 > 121.547 ))
6 0.1 0.1 peak 625 volume 7.73871 ppm1 7.760 ppm2 2.423
 
! ############### n15noe.626 NOT folded
assi (attr store1 < 2.244 and attr store1 > 2.144 ) 
     ((attr store1 < 7.789 and attr store1 > 7.729 ) and bondedto
      (attr store1 < 122.339  and attr store1 > 121.539 ))
6 0.1 0.1 peak 626 volume 11.66922 ppm1 7.759 ppm2 2.194
 
! ############### n15noe.627 NOT folded
assi (attr store1 < 2.154 and attr store1 > 2.054 ) 
     ((attr store1 < 7.788 and attr store1 > 7.728 ) and bondedto
      (attr store1 < 122.348  and attr store1 > 121.548 ))
6 0.1 0.1 peak 627 volume 11.67076 ppm1 7.758 ppm2 2.104
 
! ############### n15noe.628 NOT folded
assi (attr store1 < 1.952 and attr store1 > 1.852 ) 
     ((attr store1 < 7.789 and attr store1 > 7.729 ) and bondedto
      (attr store1 < 122.359  and attr store1 > 121.559 ))
6 0.1 0.1 peak 628 volume 32.26779 ppm1 7.759 ppm2 1.902
 
! ############### n15noe.629 NOT folded
assi (attr store1 < 0.818 and attr store1 > 0.718 ) 
     ((attr store1 < 7.791 and attr store1 > 7.731 ) and bondedto
      (attr store1 < 122.356  and attr store1 > 121.556 ))
6 0.1 0.1 peak 629 volume 32.70155 ppm1 7.761 ppm2 0.768
 
! ############### n15noe.630 NOT folded
assi (attr store1 < 8.843 and attr store1 > 8.743 ) 
     ((attr store1 < 7.786 and attr store1 > 7.726 ) and bondedto
      (attr store1 < 122.351  and attr store1 > 121.551 ))
6 0.1 0.1 peak 630 volume 17.19729 ppm1 7.756 ppm2 8.793
 
! ############### n15noe.631 NOT folded
assi (attr store1 < 8.759 and attr store1 > 8.659 ) 
     ((attr store1 < 7.785 and attr store1 > 7.725 ) and bondedto
      (attr store1 < 122.346  and attr store1 > 121.546 ))
6 0.1 0.1 peak 631 volume 4.08298 ppm1 7.755 ppm2 8.709
 
! ############### n15noe.632 NOT folded
assi (attr store1 < 8.401 and attr store1 > 8.301 ) 
     ((attr store1 < 7.786 and attr store1 > 7.726 ) and bondedto
      (attr store1 < 122.352  and attr store1 > 121.552 ))
6 0.1 0.1 peak 632 volume 4.25631 ppm1 7.756 ppm2 8.351
 
! ############### n15noe.633 NOT folded
assi (attr store1 < 1.838 and attr store1 > 1.738 ) 
     ((attr store1 < 7.784 and attr store1 > 7.724 ) and bondedto
      (attr store1 < 122.353  and attr store1 > 121.553 ))
6 0.1 0.1 peak 633 volume 6.31492 ppm1 7.754 ppm2 1.788
 
! ############### n15noe.634 NOT folded
assi (attr store1 < 1.675 and attr store1 > 1.575 ) 
     ((attr store1 < 7.786 and attr store1 > 7.726 ) and bondedto
      (attr store1 < 122.349  and attr store1 > 121.549 ))
6 0.1 0.1 peak 634 volume 4.97480 ppm1 7.756 ppm2 1.625
 
! ############### n15noe.635 NOT folded
assi (attr store1 < 2.374 and attr store1 > 2.274 ) 
     ((attr store1 < 7.443 and attr store1 > 7.383 ) and bondedto
      (attr store1 < 122.323  and attr store1 > 121.523 ))
6 0.1 0.1 peak 635 volume 4.49463 ppm1 7.413 ppm2 2.324
 
! ############### n15noe.636 NOT folded
assi (attr store1 < 4.311 and attr store1 > 4.211 ) 
     ((attr store1 < 7.439 and attr store1 > 7.379 ) and bondedto
      (attr store1 < 122.358  and attr store1 > 121.558 ))
6 0.1 0.1 peak 636 volume 13.72722 ppm1 7.409 ppm2 4.261
 
! ############### n15noe.637 NOT folded
assi (attr store1 < 4.235 and attr store1 > 4.135 ) 
     ((attr store1 < 7.438 and attr store1 > 7.378 ) and bondedto
      (attr store1 < 122.361  and attr store1 > 121.561 ))
6 0.1 0.1 peak 637 volume 19.37219 ppm1 7.408 ppm2 4.185
 
! ############### n15noe.638 NOT folded
assi (attr store1 < 2.471 and attr store1 > 2.371 ) 
     ((attr store1 < 7.437 and attr store1 > 7.377 ) and bondedto
      (attr store1 < 122.367  and attr store1 > 121.567 ))
6 0.1 0.1 peak 638 volume 11.45784 ppm1 7.407 ppm2 2.421
 
! ############### n15noe.639 NOT folded
assi (attr store1 < 1.571 and attr store1 > 1.471 ) 
     ((attr store1 < 7.437 and attr store1 > 7.377 ) and bondedto
      (attr store1 < 122.388  and attr store1 > 121.588 ))
6 0.1 0.1 peak 639 volume 4.92661 ppm1 7.407 ppm2 1.521
 
! ############### n15noe.640 NOT folded
assi (attr store1 < 2.573 and attr store1 > 2.473 ) 
     ((attr store1 < 7.434 and attr store1 > 7.374 ) and bondedto
      (attr store1 < 122.371  and attr store1 > 121.571 ))
6 0.1 0.1 peak 640 volume 4.59957 ppm1 7.404 ppm2 2.523
 
! ############### n15noe.641 NOT folded
assi (attr store1 < 1.549 and attr store1 > 1.449 ) 
     ((attr store1 < 7.432 and attr store1 > 7.372 ) and bondedto
      (attr store1 < 122.379  and attr store1 > 121.579 ))
6 0.1 0.1 peak 641 volume 4.97551 ppm1 7.402 ppm2 1.499
 
! ############### n15noe.642 NOT folded
assi (attr store1 < 4.038 and attr store1 > 3.938 ) 
     ((attr store1 < 8.388 and attr store1 > 8.328 ) and bondedto
      (attr store1 < 122.249  and attr store1 > 121.449 ))
6 0.1 0.1 peak 642 volume 4.10057 ppm1 8.358 ppm2 3.988
 
! ############### n15noe.643 NOT folded
assi (attr store1 < 3.639 and attr store1 > 3.539 ) 
     ((attr store1 < 8.388 and attr store1 > 8.328 ) and bondedto
      (attr store1 < 122.242  and attr store1 > 121.442 ))
6 0.1 0.1 peak 643 volume 4.59113 ppm1 8.358 ppm2 3.589
 
! ############### n15noe.644 NOT folded
assi (attr store1 < 3.588 and attr store1 > 3.488 ) 
     ((attr store1 < 8.386 and attr store1 > 8.326 ) and bondedto
      (attr store1 < 122.244  and attr store1 > 121.444 ))
6 0.1 0.1 peak 644 volume 4.92386 ppm1 8.356 ppm2 3.538
 
! ############### n15noe.645 NOT folded
assi (attr store1 < 8.892 and attr store1 > 8.792 ) 
     ((attr store1 < 8.382 and attr store1 > 8.322 ) and bondedto
      (attr store1 < 122.257  and attr store1 > 121.457 ))
6 0.1 0.1 peak 645 volume 12.56812 ppm1 8.352 ppm2 8.842
 
! ############### n15noe.646 NOT folded
assi (attr store1 < 4.34 and attr store1 > 4.24 ) 
     ((attr store1 < 8.384 and attr store1 > 8.324 ) and bondedto
      (attr store1 < 122.259  and attr store1 > 121.459 ))
6 0.1 0.1 peak 646 volume 8.04076 ppm1 8.354 ppm2 4.290
 
! ############### n15noe.647 NOT folded
assi (attr store1 < 4.122 and attr store1 > 4.022 ) 
     ((attr store1 < 8.384 and attr store1 > 8.324 ) and bondedto
      (attr store1 < 122.242  and attr store1 > 121.442 ))
6 0.1 0.1 peak 647 volume 19.60677 ppm1 8.354 ppm2 4.072
 
! ############### n15noe.648 NOT folded
assi (attr store1 < 2.379 and attr store1 > 2.279 ) 
     ((attr store1 < 8.383 and attr store1 > 8.323 ) and bondedto
      (attr store1 < 122.234  and attr store1 > 121.434 ))
6 0.1 0.1 peak 648 volume 21.99100 ppm1 8.353 ppm2 2.329
 
! ############### n15noe.649 NOT folded
assi (attr store1 < 2.19 and attr store1 > 2.09 ) 
     ((attr store1 < 8.382 and attr store1 > 8.322 ) and bondedto
      (attr store1 < 122.233  and attr store1 > 121.433 ))
6 0.1 0.1 peak 649 volume 31.26363 ppm1 8.352 ppm2 2.140
 
! ############### n15noe.650 NOT folded
assi (attr store1 < 2.111 and attr store1 > 2.011 ) 
     ((attr store1 < 8.383 and attr store1 > 8.323 ) and bondedto
      (attr store1 < 122.243  and attr store1 > 121.443 ))
6 0.1 0.1 peak 650 volume 41.95781 ppm1 8.353 ppm2 2.061
 
! ############### n15noe.651 NOT folded
assi (attr store1 < 0.997 and attr store1 > 0.897 ) 
     ((attr store1 < 8.382 and attr store1 > 8.322 ) and bondedto
      (attr store1 < 122.256  and attr store1 > 121.456 ))
6 0.1 0.1 peak 651 volume 22.22566 ppm1 8.352 ppm2 0.947
 
! ############### n15noe.652 NOT folded
assi (attr store1 < 0.927 and attr store1 > 0.827 ) 
     ((attr store1 < 8.383 and attr store1 > 8.323 ) and bondedto
      (attr store1 < 122.255  and attr store1 > 121.455 ))
6 0.1 0.1 peak 652 volume 7.75510 ppm1 8.353 ppm2 0.877
 
! ############### n15noe.653 NOT folded
assi (attr store1 < 8.174 and attr store1 > 8.074 ) 
     ((attr store1 < 8.379 and attr store1 > 8.319 ) and bondedto
      (attr store1 < 122.245  and attr store1 > 121.445 ))
6 0.1 0.1 peak 653 volume 14.22190 ppm1 8.349 ppm2 8.124
 
! ############### n15noe.654 NOT folded
assi (attr store1 < 4.038 and attr store1 > 3.938 ) 
     ((attr store1 < 7.611 and attr store1 > 7.551 ) and bondedto
      (attr store1 < 122.173  and attr store1 > 121.373 ))
6 0.1 0.1 peak 654 volume 13.23713 ppm1 7.581 ppm2 3.988
 
! ############### n15noe.655 NOT folded
assi (attr store1 < 8.074 and attr store1 > 7.974 ) 
     ((attr store1 < 7.61 and attr store1 > 7.55 ) and bondedto
      (attr store1 < 122.118  and attr store1 > 121.318 ))
6 0.1 0.1 peak 655 volume 4.00236 ppm1 7.580 ppm2 8.024
 
! ############### n15noe.656 NOT folded
assi (attr store1 < 4.178 and attr store1 > 4.078 ) 
     ((attr store1 < 7.61 and attr store1 > 7.55 ) and bondedto
      (attr store1 < 122.137  and attr store1 > 121.337 ))
6 0.1 0.1 peak 656 volume 11.24854 ppm1 7.580 ppm2 4.128
 
! ############### n15noe.657 NOT folded
assi (attr store1 < 1.923 and attr store1 > 1.823 ) 
     ((attr store1 < 7.606 and attr store1 > 7.546 ) and bondedto
      (attr store1 < 122.141  and attr store1 > 121.341 ))
6 0.1 0.1 peak 657 volume 11.85648 ppm1 7.576 ppm2 1.873
 
! ############### n15noe.658 NOT folded
assi (attr store1 < 1.769 and attr store1 > 1.669 ) 
     ((attr store1 < 7.607 and attr store1 > 7.547 ) and bondedto
      (attr store1 < 122.127  and attr store1 > 121.327 ))
6 0.1 0.1 peak 658 volume 8.51400 ppm1 7.577 ppm2 1.719
 
! ############### n15noe.659 NOT folded
assi (attr store1 < 1.679 and attr store1 > 1.579 ) 
     ((attr store1 < 7.606 and attr store1 > 7.546 ) and bondedto
      (attr store1 < 122.138  and attr store1 > 121.338 ))
6 0.1 0.1 peak 659 volume 18.95066 ppm1 7.576 ppm2 1.629
 
! ############### n15noe.660 NOT folded
assi (attr store1 < 1.488 and attr store1 > 1.388 ) 
     ((attr store1 < 7.607 and attr store1 > 7.547 ) and bondedto
      (attr store1 < 122.121  and attr store1 > 121.321 ))
6 0.1 0.1 peak 660 volume 13.16734 ppm1 7.577 ppm2 1.438
 
! ############### n15noe.661 NOT folded
assi (attr store1 < 1.326 and attr store1 > 1.226 ) 
     ((attr store1 < 7.609 and attr store1 > 7.549 ) and bondedto
      (attr store1 < 122.133  and attr store1 > 121.333 ))
6 0.1 0.1 peak 661 volume 3.78232 ppm1 7.579 ppm2 1.276
 
! ############### n15noe.662 NOT folded
assi (attr store1 < 0.826 and attr store1 > 0.726 ) 
     ((attr store1 < 7.606 and attr store1 > 7.546 ) and bondedto
      (attr store1 < 122.141  and attr store1 > 121.341 ))
6 0.1 0.1 peak 662 volume 16.56192 ppm1 7.576 ppm2 0.776
 
! ############### n15noe.663 NOT folded
assi (attr store1 < 0.436 and attr store1 > 0.336 ) 
     ((attr store1 < 7.609 and attr store1 > 7.549 ) and bondedto
      (attr store1 < 122.148  and attr store1 > 121.348 ))
6 0.1 0.1 peak 663 volume 9.25777 ppm1 7.579 ppm2 0.386
 
! ############### n15noe.664 NOT folded
assi (attr store1 < 8.459 and attr store1 > 8.359 ) 
     ((attr store1 < 7.604 and attr store1 > 7.544 ) and bondedto
      (attr store1 < 122.13  and attr store1 > 121.33 ))
6 0.1 0.1 peak 664 volume 18.39253 ppm1 7.574 ppm2 8.409
 
! ############### n15noe.665 NOT folded
assi (attr store1 < 2.092 and attr store1 > 1.992 ) 
     ((attr store1 < 7.604 and attr store1 > 7.544 ) and bondedto
      (attr store1 < 122.14  and attr store1 > 121.34 ))
6 0.1 0.1 peak 665 volume 8.89689 ppm1 7.574 ppm2 2.042
 
! ############### n15noe.666 NOT folded
assi (attr store1 < 1.863 and attr store1 > 1.763 ) 
     ((attr store1 < 7.602 and attr store1 > 7.542 ) and bondedto
      (attr store1 < 122.147  and attr store1 > 121.347 ))
6 0.1 0.1 peak 666 volume 5.99767 ppm1 7.572 ppm2 1.813
 
! ############### n15noe.667 NOT folded
assi (attr store1 < 4.026 and attr store1 > 3.926 ) 
     ((attr store1 < 8.152 and attr store1 > 8.092 ) and bondedto
      (attr store1 < 122.017  and attr store1 > 121.217 ))
6 0.1 0.1 peak 667 volume 10.01293 ppm1 8.122 ppm2 3.976
 
! ############### n15noe.668 NOT folded
assi (attr store1 < 3.525 and attr store1 > 3.425 ) 
     ((attr store1 < 7.883 and attr store1 > 7.823 ) and bondedto
      (attr store1 < 122.017  and attr store1 > 121.217 ))
6 0.1 0.1 peak 668 volume 5.66505 ppm1 7.853 ppm2 3.475
 
! ############### n15noe.669 NOT folded
assi (attr store1 < 8.044 and attr store1 > 7.944 ) 
     ((attr store1 < 7.878 and attr store1 > 7.818 ) and bondedto
      (attr store1 < 122.034  and attr store1 > 121.234 ))
6 0.1 0.1 peak 669 volume 18.97918 ppm1 7.848 ppm2 7.994
 
! ############### n15noe.670 NOT folded
assi (attr store1 < 7.157 and attr store1 > 7.057 ) 
     ((attr store1 < 7.879 and attr store1 > 7.819 ) and bondedto
      (attr store1 < 122.036  and attr store1 > 121.236 ))
6 0.1 0.1 peak 670 volume 8.25162 ppm1 7.849 ppm2 7.107
 
! ############### n15noe.671 NOT folded
assi (attr store1 < 3.931 and attr store1 > 3.831 ) 
     ((attr store1 < 7.876 and attr store1 > 7.816 ) and bondedto
      (attr store1 < 122.026  and attr store1 > 121.226 ))
6 0.1 0.1 peak 671 volume 11.09441 ppm1 7.846 ppm2 3.881
 
! ############### n15noe.672 NOT folded
assi (attr store1 < 3.232 and attr store1 > 3.132 ) 
     ((attr store1 < 7.876 and attr store1 > 7.816 ) and bondedto
      (attr store1 < 122.029  and attr store1 > 121.229 ))
6 0.1 0.1 peak 672 volume 15.82509 ppm1 7.846 ppm2 3.182
 
! ############### n15noe.673 NOT folded
assi (attr store1 < 3.129 and attr store1 > 3.029 ) 
     ((attr store1 < 7.878 and attr store1 > 7.818 ) and bondedto
      (attr store1 < 122.006  and attr store1 > 121.206 ))
6 0.1 0.1 peak 673 volume 14.51212 ppm1 7.848 ppm2 3.079
 
! ############### n15noe.674 NOT folded
assi (attr store1 < 2.354 and attr store1 > 2.254 ) 
     ((attr store1 < 7.879 and attr store1 > 7.819 ) and bondedto
      (attr store1 < 122.016  and attr store1 > 121.216 ))
6 0.1 0.1 peak 674 volume 14.54028 ppm1 7.849 ppm2 2.304
 
! ############### n15noe.675 NOT folded
assi (attr store1 < 2.267 and attr store1 > 2.167 ) 
     ((attr store1 < 7.875 and attr store1 > 7.815 ) and bondedto
      (attr store1 < 122.038  and attr store1 > 121.238 ))
6 0.1 0.1 peak 675 volume 5.76868 ppm1 7.845 ppm2 2.217
 
! ############### n15noe.676 NOT folded
assi (attr store1 < 1.133 and attr store1 > 1.033 ) 
     ((attr store1 < 7.877 and attr store1 > 7.817 ) and bondedto
      (attr store1 < 122.032  and attr store1 > 121.232 ))
6 0.1 0.1 peak 676 volume 5.72182 ppm1 7.847 ppm2 1.083
 
! ############### n15noe.677 NOT folded
assi (attr store1 < 2.969 and attr store1 > 2.869 ) 
     ((attr store1 < 7.873 and attr store1 > 7.813 ) and bondedto
      (attr store1 < 122.047  and attr store1 > 121.247 ))
6 0.1 0.1 peak 677 volume 3.90766 ppm1 7.843 ppm2 2.919
 
! ############### n15noe.678 NOT folded
assi (attr store1 < 2.608 and attr store1 > 2.508 ) 
     ((attr store1 < 7.867 and attr store1 > 7.807 ) and bondedto
      (attr store1 < 122.018  and attr store1 > 121.218 ))
6 0.1 0.1 peak 678 volume 3.96511 ppm1 7.837 ppm2 2.558
 
! ############### n15noe.679 NOT folded
assi (attr store1 < 4.413 and attr store1 > 4.313 ) 
     ((attr store1 < 8.539 and attr store1 > 8.479 ) and bondedto
      (attr store1 < 121.926  and attr store1 > 121.126 ))
6 0.1 0.1 peak 679 volume 6.61723 ppm1 8.509 ppm2 4.363
 
! ############### n15noe.680 NOT folded
assi (attr store1 < 0.995 and attr store1 > 0.895 ) 
     ((attr store1 < 8.522 and attr store1 > 8.462 ) and bondedto
      (attr store1 < 121.94  and attr store1 > 121.14 ))
6 0.1 0.1 peak 680 volume 4.83771 ppm1 8.492 ppm2 0.945
 
! ############### n15noe.681 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 8.15 and attr store1 > 8.09 ) and bondedto
      (attr store1 < 121.998  and attr store1 > 121.198 ))
6 0.1 0.1 peak 681 volume 189.60783 ppm1 8.120 ppm2 4.688
 
! ############### n15noe.682 NOT folded
assi (attr store1 < 2.281 and attr store1 > 2.181 ) 
     ((attr store1 < 8.15 and attr store1 > 8.09 ) and bondedto
      (attr store1 < 121.986  and attr store1 > 121.186 ))
6 0.1 0.1 peak 682 volume 14.79036 ppm1 8.120 ppm2 2.231
 
! ############### n15noe.683 NOT folded
assi (attr store1 < 2.142 and attr store1 > 2.042 ) 
     ((attr store1 < 8.151 and attr store1 > 8.091 ) and bondedto
      (attr store1 < 121.989  and attr store1 > 121.189 ))
6 0.1 0.1 peak 683 volume 27.43822 ppm1 8.121 ppm2 2.092
 
! ############### n15noe.684 NOT folded
assi (attr store1 < 2.062 and attr store1 > 1.962 ) 
     ((attr store1 < 8.15 and attr store1 > 8.09 ) and bondedto
      (attr store1 < 121.986  and attr store1 > 121.186 ))
6 0.1 0.1 peak 684 volume 3.89613 ppm1 8.120 ppm2 2.012
 
! ############### n15noe.685 NOT folded
assi (attr store1 < 4.476 and attr store1 > 4.376 ) 
     ((attr store1 < 8.149 and attr store1 > 8.089 ) and bondedto
      (attr store1 < 121.977  and attr store1 > 121.177 ))
6 0.1 0.1 peak 685 volume 37.38740 ppm1 8.119 ppm2 4.426
 
! ############### n15noe.686 NOT folded
assi (attr store1 < 2.53 and attr store1 > 2.43 ) 
     ((attr store1 < 8.149 and attr store1 > 8.089 ) and bondedto
      (attr store1 < 121.981  and attr store1 > 121.181 ))
6 0.1 0.1 peak 686 volume 16.31314 ppm1 8.119 ppm2 2.480
 
! ############### n15noe.687 NOT folded
assi (attr store1 < 1.021 and attr store1 > 0.921 ) 
     ((attr store1 < 7.881 and attr store1 > 7.821 ) and bondedto
      (attr store1 < 121.986  and attr store1 > 121.186 ))
6 0.1 0.1 peak 687 volume 13.09575 ppm1 7.851 ppm2 0.971
 
! ############### n15noe.688 NOT folded
assi (attr store1 < 8.587 and attr store1 > 8.487 ) 
     ((attr store1 < 7.878 and attr store1 > 7.818 ) and bondedto
      (attr store1 < 121.993  and attr store1 > 121.193 ))
6 0.1 0.1 peak 688 volume 11.64446 ppm1 7.848 ppm2 8.537
 
! ############### n15noe.689 NOT folded
assi (attr store1 < 0.893 and attr store1 > 0.793 ) 
     ((attr store1 < 7.879 and attr store1 > 7.819 ) and bondedto
      (attr store1 < 121.996  and attr store1 > 121.196 ))
6 0.1 0.1 peak 689 volume 12.81289 ppm1 7.849 ppm2 0.843
 
! ############### n15noe.690 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 7.871 and attr store1 > 7.811 ) and bondedto
      (attr store1 < 121.978  and attr store1 > 121.178 ))
6 0.1 0.1 peak 690 volume 3.99798 ppm1 7.841 ppm2 4.687
 
! ############### n15noe.691 NOT folded
assi (attr store1 < 2.523 and attr store1 > 2.423 ) 
     ((attr store1 < 7.871 and attr store1 > 7.811 ) and bondedto
      (attr store1 < 121.945  and attr store1 > 121.145 ))
6 0.1 0.1 peak 691 volume 3.62183 ppm1 7.841 ppm2 2.473
 
! ############### n15noe.692 NOT folded
assi (attr store1 < 7.977 and attr store1 > 7.877 ) 
     ((attr store1 < 8.546 and attr store1 > 8.486 ) and bondedto
      (attr store1 < 121.874  and attr store1 > 121.074 ))
6 0.1 0.1 peak 692 volume 21.26000 ppm1 8.516 ppm2 7.927
 
! ############### n15noe.693 NOT folded
assi (attr store1 < 3.521 and attr store1 > 3.421 ) 
     ((attr store1 < 8.548 and attr store1 > 8.488 ) and bondedto
      (attr store1 < 121.882  and attr store1 > 121.082 ))
6 0.1 0.1 peak 693 volume 3.76056 ppm1 8.518 ppm2 3.471
 
! ############### n15noe.694 NOT folded
assi (attr store1 < 4.098 and attr store1 > 3.998 ) 
     ((attr store1 < 8.545 and attr store1 > 8.485 ) and bondedto
      (attr store1 < 121.851  and attr store1 > 121.051 ))
6 0.1 0.1 peak 694 volume 17.84925 ppm1 8.515 ppm2 4.048
 
! ############### n15noe.695 NOT folded
assi (attr store1 < 3.978 and attr store1 > 3.878 ) 
     ((attr store1 < 8.544 and attr store1 > 8.484 ) and bondedto
      (attr store1 < 121.897  and attr store1 > 121.097 ))
6 0.1 0.1 peak 695 volume 9.19651 ppm1 8.514 ppm2 3.928
 
! ############### n15noe.696 NOT folded
assi (attr store1 < 1.589 and attr store1 > 1.489 ) 
     ((attr store1 < 8.542 and attr store1 > 8.482 ) and bondedto
      (attr store1 < 121.868  and attr store1 > 121.068 ))
6 0.1 0.1 peak 696 volume 54.11372 ppm1 8.512 ppm2 1.539
 
! ############### n15noe.697 NOT folded
assi (attr store1 < 1.107 and attr store1 > 1.007 ) 
     ((attr store1 < 8.542 and attr store1 > 8.482 ) and bondedto
      (attr store1 < 121.886  and attr store1 > 121.086 ))
6 0.1 0.1 peak 697 volume 12.41562 ppm1 8.512 ppm2 1.057
 
! ############### n15noe.698 NOT folded
assi (attr store1 < 1.009 and attr store1 > 0.909 ) 
     ((attr store1 < 8.541 and attr store1 > 8.481 ) and bondedto
      (attr store1 < 121.839  and attr store1 > 121.039 ))
6 0.1 0.1 peak 698 volume 6.71974 ppm1 8.511 ppm2 0.959
 
! ############### n15noe.699 NOT folded
assi (attr store1 < 1.949 and attr store1 > 1.849 ) 
     ((attr store1 < 8.539 and attr store1 > 8.479 ) and bondedto
      (attr store1 < 121.843  and attr store1 > 121.043 ))
6 0.1 0.1 peak 699 volume 4.66809 ppm1 8.509 ppm2 1.899
 
! ############### n15noe.700 NOT folded
assi (attr store1 < 1.099 and attr store1 > 0.999 ) 
     ((attr store1 < 8.492 and attr store1 > 8.432 ) and bondedto
      (attr store1 < 121.878  and attr store1 > 121.078 ))
6 0.1 0.1 peak 700 volume 4.10427 ppm1 8.462 ppm2 1.049
 
! ############### n15noe.701 NOT folded
assi (attr store1 < 1.009 and attr store1 > 0.909 ) 
     ((attr store1 < 8.488 and attr store1 > 8.428 ) and bondedto
      (attr store1 < 121.859  and attr store1 > 121.059 ))
6 0.1 0.1 peak 701 volume 3.85379 ppm1 8.458 ppm2 0.959
 
! ############### n15noe.702 NOT folded
assi (attr store1 < 1.607 and attr store1 > 1.507 ) 
     ((attr store1 < 8.484 and attr store1 > 8.424 ) and bondedto
      (attr store1 < 121.829  and attr store1 > 121.029 ))
6 0.1 0.1 peak 702 volume 8.39667 ppm1 8.454 ppm2 1.557
 
! ############### n15noe.703 NOT folded
assi (attr store1 < 0.922 and attr store1 > 0.822 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 121.867  and attr store1 > 121.067 ))
6 0.1 0.1 peak 703 volume 3.94231 ppm1 8.446 ppm2 0.872
 
! ############### n15noe.704 NOT folded
assi (attr store1 < 0.972 and attr store1 > 0.872 ) 
     ((attr store1 < 8.547 and attr store1 > 8.487 ) and bondedto
      (attr store1 < 121.799  and attr store1 > 120.999 ))
6 0.1 0.1 peak 704 volume 7.45019 ppm1 8.517 ppm2 0.922
 
! ############### n15noe.705 NOT folded
assi (attr store1 < 7.766 and attr store1 > 7.666 ) 
     ((attr store1 < 8.218 and attr store1 > 8.158 ) and bondedto
      (attr store1 < 121.741  and attr store1 > 120.941 ))
6 0.1 0.1 peak 705 volume 3.58174 ppm1 8.188 ppm2 7.716
 
! ############### n15noe.706 NOT folded
assi (attr store1 < 3.313 and attr store1 > 3.213 ) 
     ((attr store1 < 7.89 and attr store1 > 7.83 ) and bondedto
      (attr store1 < 121.792  and attr store1 > 120.992 ))
6 0.1 0.1 peak 706 volume 3.55881 ppm1 7.860 ppm2 3.263
 
! ############### n15noe.707 NOT folded
assi (attr store1 < 2.003 and attr store1 > 1.903 ) 
     ((attr store1 < 7.727 and attr store1 > 7.667 ) and bondedto
      (attr store1 < 121.735  and attr store1 > 120.935 ))
6 0.1 0.1 peak 707 volume 6.25303 ppm1 7.697 ppm2 1.953
 
! ############### n15noe.708 NOT folded
assi (attr store1 < 1.34 and attr store1 > 1.24 ) 
     ((attr store1 < 7.724 and attr store1 > 7.664 ) and bondedto
      (attr store1 < 121.727  and attr store1 > 120.927 ))
6 0.1 0.1 peak 708 volume 6.98676 ppm1 7.694 ppm2 1.290
 
! ############### n15noe.709 NOT folded
assi (attr store1 < 4.455 and attr store1 > 4.355 ) 
     ((attr store1 < 7.717 and attr store1 > 7.657 ) and bondedto
      (attr store1 < 121.721  and attr store1 > 120.921 ))
6 0.1 0.1 peak 709 volume 4.99294 ppm1 7.687 ppm2 4.405
 
! ############### n15noe.710 NOT folded
assi (attr store1 < 3.329 and attr store1 > 3.229 ) 
     ((attr store1 < 7.673 and attr store1 > 7.613 ) and bondedto
      (attr store1 < 121.727  and attr store1 > 120.927 ))
6 0.1 0.1 peak 710 volume 3.60454 ppm1 7.643 ppm2 3.279
 
! ############### n15noe.711 NOT folded
assi (attr store1 < 4.086 and attr store1 > 3.986 ) 
     ((attr store1 < 7.426 and attr store1 > 7.366 ) and bondedto
      (attr store1 < 121.785  and attr store1 > 120.985 ))
6 0.1 0.1 peak 711 volume 4.90586 ppm1 7.396 ppm2 4.036
 
! ############### n15noe.712 NOT folded
assi (attr store1 < 0.916 and attr store1 > 0.816 ) 
     ((attr store1 < 8.232 and attr store1 > 8.172 ) and bondedto
      (attr store1 < 121.705  and attr store1 > 120.905 ))
6 0.1 0.1 peak 712 volume 3.84621 ppm1 8.202 ppm2 0.866
 
! ############### n15noe.713 NOT folded
assi (attr store1 < 8.411 and attr store1 > 8.311 ) 
     ((attr store1 < 8.211 and attr store1 > 8.151 ) and bondedto
      (attr store1 < 121.645  and attr store1 > 120.845 ))
6 0.1 0.1 peak 713 volume 30.50808 ppm1 8.181 ppm2 8.361
 
! ############### n15noe.714 NOT folded
assi (attr store1 < 3.064 and attr store1 > 2.964 ) 
     ((attr store1 < 8.213 and attr store1 > 8.153 ) and bondedto
      (attr store1 < 121.634  and attr store1 > 120.834 ))
6 0.1 0.1 peak 714 volume 11.73265 ppm1 8.183 ppm2 3.014
 
! ############### n15noe.715 NOT folded
assi (attr store1 < 1.083 and attr store1 > 0.983 ) 
     ((attr store1 < 8.213 and attr store1 > 8.153 ) and bondedto
      (attr store1 < 121.648  and attr store1 > 120.848 ))
6 0.1 0.1 peak 715 volume 8.80903 ppm1 8.183 ppm2 1.033
 
! ############### n15noe.716 NOT folded
assi (attr store1 < 4.062 and attr store1 > 3.962 ) 
     ((attr store1 < 8.204 and attr store1 > 8.144 ) and bondedto
      (attr store1 < 121.655  and attr store1 > 120.855 ))
6 0.1 0.1 peak 716 volume 6.82148 ppm1 8.174 ppm2 4.012
 
! ############### n15noe.717 NOT folded
assi (attr store1 < 1.168 and attr store1 > 1.068 ) 
     ((attr store1 < 8.208 and attr store1 > 8.148 ) and bondedto
      (attr store1 < 121.651  and attr store1 > 120.851 ))
6 0.1 0.1 peak 717 volume 43.61613 ppm1 8.178 ppm2 1.118
 
! ############### n15noe.718 NOT folded
assi (attr store1 < 0.885 and attr store1 > 0.785 ) 
     ((attr store1 < 8.206 and attr store1 > 8.146 ) and bondedto
      (attr store1 < 121.675  and attr store1 > 120.875 ))
6 0.1 0.1 peak 718 volume 5.13173 ppm1 8.176 ppm2 0.835
 
! ############### n15noe.719 NOT folded
assi (attr store1 < 2.798 and attr store1 > 2.698 ) 
     ((attr store1 < 8.204 and attr store1 > 8.144 ) and bondedto
      (attr store1 < 121.631  and attr store1 > 120.831 ))
6 0.1 0.1 peak 719 volume 9.76511 ppm1 8.174 ppm2 2.748
 
! ############### n15noe.720 NOT folded
assi (attr store1 < 4.061 and attr store1 > 3.961 ) 
     ((attr store1 < 8.168 and attr store1 > 8.108 ) and bondedto
      (attr store1 < 121.688  and attr store1 > 120.888 ))
6 0.1 0.1 peak 720 volume 3.58016 ppm1 8.138 ppm2 4.011
 
! ############### n15noe.721 NOT folded
assi (attr store1 < 8.772 and attr store1 > 8.672 ) 
     ((attr store1 < 7.723 and attr store1 > 7.663 ) and bondedto
      (attr store1 < 121.68  and attr store1 > 120.88 ))
6 0.1 0.1 peak 721 volume 9.22802 ppm1 7.693 ppm2 8.722
 
! ############### n15noe.722 NOT folded
assi (attr store1 < 8.101 and attr store1 > 8.001 ) 
     ((attr store1 < 7.721 and attr store1 > 7.661 ) and bondedto
      (attr store1 < 121.67  and attr store1 > 120.87 ))
6 0.1 0.1 peak 722 volume 19.50693 ppm1 7.691 ppm2 8.051
 
! ############### n15noe.723 NOT folded
assi (attr store1 < 6.794 and attr store1 > 6.694 ) 
     ((attr store1 < 7.724 and attr store1 > 7.664 ) and bondedto
      (attr store1 < 121.682  and attr store1 > 120.882 ))
6 0.1 0.1 peak 723 volume 10.40115 ppm1 7.694 ppm2 6.744
 
! ############### n15noe.724 NOT folded
assi (attr store1 < 4.732 and attr store1 > 4.632 ) 
     ((attr store1 < 7.724 and attr store1 > 7.664 ) and bondedto
      (attr store1 < 121.688  and attr store1 > 120.888 ))
6 0.1 0.1 peak 724 volume 22.32195 ppm1 7.694 ppm2 4.682
 
! ############### n15noe.725 NOT folded
assi (attr store1 < 4.282 and attr store1 > 4.182 ) 
     ((attr store1 < 7.724 and attr store1 > 7.664 ) and bondedto
      (attr store1 < 121.665  and attr store1 > 120.865 ))
6 0.1 0.1 peak 725 volume 17.03423 ppm1 7.694 ppm2 4.232
 
! ############### n15noe.726 NOT folded
assi (attr store1 < 3.31 and attr store1 > 3.21 ) 
     ((attr store1 < 7.724 and attr store1 > 7.664 ) and bondedto
      (attr store1 < 121.665  and attr store1 > 120.865 ))
6 0.1 0.1 peak 726 volume 19.11971 ppm1 7.694 ppm2 3.260
 
! ############### n15noe.727 NOT folded
assi (attr store1 < 0.831 and attr store1 > 0.731 ) 
     ((attr store1 < 7.723 and attr store1 > 7.663 ) and bondedto
      (attr store1 < 121.672  and attr store1 > 120.872 ))
6 0.1 0.1 peak 727 volume 6.87012 ppm1 7.693 ppm2 0.781
 
! ############### n15noe.728 NOT folded
assi (attr store1 < 2.614 and attr store1 > 2.514 ) 
     ((attr store1 < 7.72 and attr store1 > 7.66 ) and bondedto
      (attr store1 < 121.681  and attr store1 > 120.881 ))
6 0.1 0.1 peak 728 volume 4.17643 ppm1 7.690 ppm2 2.564
 
! ############### n15noe.729 NOT folded
assi (attr store1 < 4.058 and attr store1 > 3.958 ) 
     ((attr store1 < 7.436 and attr store1 > 7.376 ) and bondedto
      (attr store1 < 121.657  and attr store1 > 120.857 ))
6 0.1 0.1 peak 729 volume 3.51525 ppm1 7.406 ppm2 4.008
 
! ############### n15noe.730 NOT folded
assi (attr store1 < 2.313 and attr store1 > 2.213 ) 
     ((attr store1 < 7.436 and attr store1 > 7.376 ) and bondedto
      (attr store1 < 121.667  and attr store1 > 120.867 ))
6 0.1 0.1 peak 730 volume 12.46973 ppm1 7.406 ppm2 2.263
 
! ############### n15noe.731 NOT folded
assi (attr store1 < 2.253 and attr store1 > 2.153 ) 
     ((attr store1 < 7.436 and attr store1 > 7.376 ) and bondedto
      (attr store1 < 121.658  and attr store1 > 120.858 ))
6 0.1 0.1 peak 731 volume 12.23697 ppm1 7.406 ppm2 2.203
 
! ############### n15noe.732 NOT folded
assi (attr store1 < 8.235 and attr store1 > 8.135 ) 
     ((attr store1 < 7.431 and attr store1 > 7.371 ) and bondedto
      (attr store1 < 121.671  and attr store1 > 120.871 ))
6 0.1 0.1 peak 732 volume 14.12759 ppm1 7.401 ppm2 8.185
 
! ############### n15noe.733 NOT folded
assi (attr store1 < 4.174 and attr store1 > 4.074 ) 
     ((attr store1 < 7.431 and attr store1 > 7.371 ) and bondedto
      (attr store1 < 121.676  and attr store1 > 120.876 ))
6 0.1 0.1 peak 733 volume 22.75071 ppm1 7.401 ppm2 4.124
 
! ############### n15noe.734 NOT folded
assi (attr store1 < 2.604 and attr store1 > 2.504 ) 
     ((attr store1 < 7.43 and attr store1 > 7.37 ) and bondedto
      (attr store1 < 121.705  and attr store1 > 120.905 ))
6 0.1 0.1 peak 734 volume 6.85231 ppm1 7.400 ppm2 2.554
 
! ############### n15noe.735 NOT folded
assi (attr store1 < 1.988 and attr store1 > 1.888 ) 
     ((attr store1 < 7.432 and attr store1 > 7.372 ) and bondedto
      (attr store1 < 121.668  and attr store1 > 120.868 ))
6 0.1 0.1 peak 735 volume 24.17512 ppm1 7.402 ppm2 1.938
 
! ############### n15noe.736 NOT folded
assi (attr store1 < 7.98 and attr store1 > 7.88 ) 
     ((attr store1 < 7.428 and attr store1 > 7.368 ) and bondedto
      (attr store1 < 121.672  and attr store1 > 120.872 ))
6 0.1 0.1 peak 736 volume 18.22200 ppm1 7.398 ppm2 7.930
 
! ############### n15noe.737 NOT folded
assi (attr store1 < 4.32 and attr store1 > 4.22 ) 
     ((attr store1 < 7.428 and attr store1 > 7.368 ) and bondedto
      (attr store1 < 121.69  and attr store1 > 120.89 ))
6 0.1 0.1 peak 737 volume 9.72517 ppm1 7.398 ppm2 4.270
 
! ############### n15noe.738 NOT folded
assi (attr store1 < 2.316 and attr store1 > 2.216 ) 
     ((attr store1 < 7.427 and attr store1 > 7.367 ) and bondedto
      (attr store1 < 121.656  and attr store1 > 120.856 ))
6 0.1 0.1 peak 738 volume 12.11531 ppm1 7.397 ppm2 2.266
 
! ############### n15noe.739 NOT folded
assi (attr store1 < 2.252 and attr store1 > 2.152 ) 
     ((attr store1 < 7.427 and attr store1 > 7.367 ) and bondedto
      (attr store1 < 121.668  and attr store1 > 120.868 ))
6 0.1 0.1 peak 739 volume 12.67563 ppm1 7.397 ppm2 2.202
 
! ############### n15noe.740 NOT folded
assi (attr store1 < 2.162 and attr store1 > 2.062 ) 
     ((attr store1 < 7.427 and attr store1 > 7.367 ) and bondedto
      (attr store1 < 121.662  and attr store1 > 120.862 ))
6 0.1 0.1 peak 740 volume 12.28121 ppm1 7.397 ppm2 2.112
 
! ############### n15noe.741 NOT folded
assi (attr store1 < 1.811 and attr store1 > 1.711 ) 
     ((attr store1 < 7.427 and attr store1 > 7.367 ) and bondedto
      (attr store1 < 121.678  and attr store1 > 120.878 ))
6 0.1 0.1 peak 741 volume 19.74156 ppm1 7.397 ppm2 1.761
 
! ############### n15noe.742 NOT folded
assi (attr store1 < 0.704 and attr store1 > 0.604 ) 
     ((attr store1 < 7.429 and attr store1 > 7.369 ) and bondedto
      (attr store1 < 121.697  and attr store1 > 120.897 ))
6 0.1 0.1 peak 742 volume 4.21843 ppm1 7.399 ppm2 0.654
 
! ############### n15noe.743 NOT folded
assi (attr store1 < 9.489 and attr store1 > 9.389 ) 
     ((attr store1 < 8.211 and attr store1 > 8.151 ) and bondedto
      (attr store1 < 121.568  and attr store1 > 120.768 ))
6 0.1 0.1 peak 743 volume 4.05399 ppm1 8.181 ppm2 9.439
 
! ############### n15noe.744 NOT folded
assi (attr store1 < 3.834 and attr store1 > 3.734 ) 
     ((attr store1 < 8.212 and attr store1 > 8.152 ) and bondedto
      (attr store1 < 121.618  and attr store1 > 120.818 ))
6 0.1 0.1 peak 744 volume 17.26067 ppm1 8.182 ppm2 3.784
 
! ############### n15noe.745 NOT folded
assi (attr store1 < 2.347 and attr store1 > 2.247 ) 
     ((attr store1 < 8.21 and attr store1 > 8.15 ) and bondedto
      (attr store1 < 121.608  and attr store1 > 120.808 ))
6 0.1 0.1 peak 745 volume 29.01430 ppm1 8.180 ppm2 2.297
 
! ############### n15noe.746 NOT folded
assi (attr store1 < 2.253 and attr store1 > 2.153 ) 
     ((attr store1 < 8.209 and attr store1 > 8.149 ) and bondedto
      (attr store1 < 121.584  and attr store1 > 120.784 ))
6 0.1 0.1 peak 746 volume 6.03670 ppm1 8.179 ppm2 2.203
 
! ############### n15noe.747 NOT folded
assi (attr store1 < 1.655 and attr store1 > 1.555 ) 
     ((attr store1 < 8.207 and attr store1 > 8.147 ) and bondedto
      (attr store1 < 121.604  and attr store1 > 120.804 ))
6 0.1 0.1 peak 747 volume 3.97281 ppm1 8.177 ppm2 1.605
 
! ############### n15noe.748 NOT folded
assi (attr store1 < 0.992 and attr store1 > 0.892 ) 
     ((attr store1 < 8.209 and attr store1 > 8.149 ) and bondedto
      (attr store1 < 121.591  and attr store1 > 120.791 ))
6 0.1 0.1 peak 748 volume 19.52847 ppm1 8.179 ppm2 0.942
 
! ############### n15noe.749 NOT folded
assi (attr store1 < 0.91 and attr store1 > 0.81 ) 
     ((attr store1 < 8.207 and attr store1 > 8.147 ) and bondedto
      (attr store1 < 121.552  and attr store1 > 120.752 ))
6 0.1 0.1 peak 749 volume 4.93191 ppm1 8.177 ppm2 0.860
 
! ############### n15noe.750 NOT folded
assi (attr store1 < 4.576 and attr store1 > 4.476 ) 
     ((attr store1 < 8.202 and attr store1 > 8.142 ) and bondedto
      (attr store1 < 121.604  and attr store1 > 120.804 ))
6 0.1 0.1 peak 750 volume 4.84915 ppm1 8.172 ppm2 4.526
 
! ############### n15noe.751 NOT folded
assi (attr store1 < 4.488 and attr store1 > 4.388 ) 
     ((attr store1 < 8.202 and attr store1 > 8.142 ) and bondedto
      (attr store1 < 121.583  and attr store1 > 120.783 ))
6 0.1 0.1 peak 751 volume 5.39112 ppm1 8.172 ppm2 4.438
 
! ############### n15noe.752 NOT folded
assi (attr store1 < 0.981 and attr store1 > 0.881 ) 
     ((attr store1 < 7.853 and attr store1 > 7.793 ) and bondedto
      (attr store1 < 121.546  and attr store1 > 120.746 ))
6 0.1 0.1 peak 752 volume 3.96992 ppm1 7.823 ppm2 0.931
 
! ############### n15noe.753 NOT folded
assi (attr store1 < 1.703 and attr store1 > 1.603 ) 
     ((attr store1 < 8.465 and attr store1 > 8.405 ) and bondedto
      (attr store1 < 121.429  and attr store1 > 120.629 ))
6 0.1 0.1 peak 753 volume 4.26922 ppm1 8.435 ppm2 1.653
 
! ############### n15noe.754 NOT folded
assi (attr store1 < 4.342 and attr store1 > 4.242 ) 
     ((attr store1 < 8.45 and attr store1 > 8.39 ) and bondedto
      (attr store1 < 121.5  and attr store1 > 120.7 ))
6 0.1 0.1 peak 754 volume 5.78625 ppm1 8.420 ppm2 4.292
 
! ############### n15noe.755 NOT folded
assi (attr store1 < 3.647 and attr store1 > 3.547 ) 
     ((attr store1 < 8.45 and attr store1 > 8.39 ) and bondedto
      (attr store1 < 121.456  and attr store1 > 120.656 ))
6 0.1 0.1 peak 755 volume 13.66451 ppm1 8.420 ppm2 3.597
 
! ############### n15noe.756 NOT folded
assi (attr store1 < 2.457 and attr store1 > 2.357 ) 
     ((attr store1 < 8.446 and attr store1 > 8.386 ) and bondedto
      (attr store1 < 121.485  and attr store1 > 120.685 ))
6 0.1 0.1 peak 756 volume 20.47995 ppm1 8.416 ppm2 2.407
 
! ############### n15noe.757 NOT folded
assi (attr store1 < 2.36 and attr store1 > 2.26 ) 
     ((attr store1 < 8.449 and attr store1 > 8.389 ) and bondedto
      (attr store1 < 121.514  and attr store1 > 120.714 ))
6 0.1 0.1 peak 757 volume 5.72220 ppm1 8.419 ppm2 2.310
 
! ############### n15noe.758 NOT folded
assi (attr store1 < 1.956 and attr store1 > 1.856 ) 
     ((attr store1 < 8.448 and attr store1 > 8.388 ) and bondedto
      (attr store1 < 121.438  and attr store1 > 120.638 ))
6 0.1 0.1 peak 758 volume 5.16152 ppm1 8.418 ppm2 1.906
 
! ############### n15noe.759 NOT folded
assi (attr store1 < 8.883 and attr store1 > 8.783 ) 
     ((attr store1 < 8.444 and attr store1 > 8.384 ) and bondedto
      (attr store1 < 121.492  and attr store1 > 120.692 ))
6 0.1 0.1 peak 759 volume 13.00650 ppm1 8.414 ppm2 8.833
 
! ############### n15noe.760 NOT folded
assi (attr store1 < 7.975 and attr store1 > 7.875 ) 
     ((attr store1 < 8.443 and attr store1 > 8.383 ) and bondedto
      (attr store1 < 121.5  and attr store1 > 120.7 ))
6 0.1 0.1 peak 760 volume 15.32734 ppm1 8.413 ppm2 7.925
 
! ############### n15noe.761 NOT folded
assi (attr store1 < 1.603 and attr store1 > 1.503 ) 
     ((attr store1 < 8.445 and attr store1 > 8.385 ) and bondedto
      (attr store1 < 121.477  and attr store1 > 120.677 ))
6 0.1 0.1 peak 761 volume 22.94948 ppm1 8.415 ppm2 1.553
 
! ############### n15noe.762 NOT folded
assi (attr store1 < 1.171 and attr store1 > 1.071 ) 
     ((attr store1 < 8.445 and attr store1 > 8.385 ) and bondedto
      (attr store1 < 121.49  and attr store1 > 120.69 ))
6 0.1 0.1 peak 762 volume 31.39278 ppm1 8.415 ppm2 1.121
 
! ############### n15noe.763 NOT folded
assi (attr store1 < 1.973 and attr store1 > 1.873 ) 
     ((attr store1 < 8.44 and attr store1 > 8.38 ) and bondedto
      (attr store1 < 121.479  and attr store1 > 120.679 ))
6 0.1 0.1 peak 763 volume 5.10392 ppm1 8.410 ppm2 1.923
 
! ############### n15noe.764 NOT folded
assi ( resid  22  and name HG1%)
     ( resid 129  and name HN  )
6 0.1 0.1 peak 764 volume 15.78361 ppm1 7.754 ppm2 0.830
 
! ############### n15noe.765 NOT folded
assi (attr store1 < 2.447 and attr store1 > 2.347 ) 
     ((attr store1 < 7.257 and attr store1 > 7.197 ) and bondedto
      (attr store1 < 121.462  and attr store1 > 120.662 ))
6 0.1 0.1 peak 765 volume 12.47654 ppm1 7.227 ppm2 2.397
 
! ############### n15noe.766 NOT folded
assi (attr store1 < 7.92 and attr store1 > 7.82 ) 
     ((attr store1 < 7.251 and attr store1 > 7.191 ) and bondedto
      (attr store1 < 121.482  and attr store1 > 120.682 ))
6 0.1 0.1 peak 766 volume 4.90478 ppm1 7.221 ppm2 7.870
 
! ############### n15noe.767 NOT folded
assi (attr store1 < 4.171 and attr store1 > 4.071 ) 
     ((attr store1 < 7.253 and attr store1 > 7.193 ) and bondedto
      (attr store1 < 121.463  and attr store1 > 120.663 ))
6 0.1 0.1 peak 767 volume 7.66081 ppm1 7.223 ppm2 4.121
 
! ############### n15noe.768 NOT folded
assi (attr store1 < 1.189 and attr store1 > 1.089 ) 
     ((attr store1 < 7.253 and attr store1 > 7.193 ) and bondedto
      (attr store1 < 121.459  and attr store1 > 120.659 ))
6 0.1 0.1 peak 768 volume 11.33852 ppm1 7.223 ppm2 1.139
 
! ############### n15noe.769 NOT folded
assi (attr store1 < 1.139 and attr store1 > 1.039 ) 
     ((attr store1 < 7.252 and attr store1 > 7.192 ) and bondedto
      (attr store1 < 121.46  and attr store1 > 120.66 ))
6 0.1 0.1 peak 769 volume 14.86835 ppm1 7.222 ppm2 1.089
 
! ############### n15noe.770 NOT folded
assi (attr store1 < 2.455 and attr store1 > 2.355 ) 
     ((attr store1 < 7.242 and attr store1 > 7.182 ) and bondedto
      (attr store1 < 121.459  and attr store1 > 120.659 ))
6 0.1 0.1 peak 770 volume 11.80670 ppm1 7.212 ppm2 2.405
 
! ############### n15noe.771 NOT folded
assi (attr store1 < 8.631 and attr store1 > 8.531 ) 
     ((attr store1 < 7.235 and attr store1 > 7.175 ) and bondedto
      (attr store1 < 121.455  and attr store1 > 120.655 ))
6 0.1 0.1 peak 771 volume 3.54935 ppm1 7.205 ppm2 8.581
 
! ############### n15noe.772 NOT folded
assi (attr store1 < 8.807 and attr store1 > 8.707 ) 
     ((attr store1 < 8.46 and attr store1 > 8.4 ) and bondedto
      (attr store1 < 121.335  and attr store1 > 120.535 ))
6 0.1 0.1 peak 772 volume 13.93392 ppm1 8.430 ppm2 8.757
 
! ############### n15noe.773 NOT folded
assi (attr store1 < 4.229 and attr store1 > 4.129 ) 
     ((attr store1 < 8.462 and attr store1 > 8.402 ) and bondedto
      (attr store1 < 121.35  and attr store1 > 120.55 ))
6 0.1 0.1 peak 773 volume 5.01208 ppm1 8.432 ppm2 4.179
 
! ############### n15noe.774 NOT folded
assi (attr store1 < 3.913 and attr store1 > 3.813 ) 
     ((attr store1 < 8.459 and attr store1 > 8.399 ) and bondedto
      (attr store1 < 121.345  and attr store1 > 120.545 ))
6 0.1 0.1 peak 774 volume 3.55876 ppm1 8.429 ppm2 3.863
 
! ############### n15noe.775 NOT folded
assi (attr store1 < 3.547 and attr store1 > 3.447 ) 
     ((attr store1 < 8.458 and attr store1 > 8.398 ) and bondedto
      (attr store1 < 121.376  and attr store1 > 120.576 ))
6 0.1 0.1 peak 775 volume 4.68536 ppm1 8.428 ppm2 3.497
 
! ############### n15noe.776 NOT folded
assi (attr store1 < 1.979 and attr store1 > 1.879 ) 
     ((attr store1 < 8.459 and attr store1 > 8.399 ) and bondedto
      (attr store1 < 121.376  and attr store1 > 120.576 ))
6 0.1 0.1 peak 776 volume 6.93108 ppm1 8.429 ppm2 1.929
 
! ############### n15noe.777 NOT folded
assi (attr store1 < 3.389 and attr store1 > 3.289 ) 
     ((attr store1 < 8.456 and attr store1 > 8.396 ) and bondedto
      (attr store1 < 121.361  and attr store1 > 120.561 ))
6 0.1 0.1 peak 777 volume 14.05874 ppm1 8.426 ppm2 3.339
 
! ############### n15noe.778 NOT folded
assi (attr store1 < 1.516 and attr store1 > 1.416 ) 
     ((attr store1 < 8.455 and attr store1 > 8.395 ) and bondedto
      (attr store1 < 121.37  and attr store1 > 120.57 ))
6 0.1 0.1 peak 778 volume 11.02759 ppm1 8.425 ppm2 1.466
 
! ############### n15noe.779 NOT folded
assi (attr store1 < 1.453 and attr store1 > 1.353 ) 
     ((attr store1 < 8.454 and attr store1 > 8.394 ) and bondedto
      (attr store1 < 121.391  and attr store1 > 120.591 ))
6 0.1 0.1 peak 779 volume 10.55322 ppm1 8.424 ppm2 1.403
 
! ############### n15noe.780 NOT folded
assi (attr store1 < 0.933 and attr store1 > 0.833 ) 
     ((attr store1 < 8.454 and attr store1 > 8.394 ) and bondedto
      (attr store1 < 121.386  and attr store1 > 120.586 ))
6 0.1 0.1 peak 780 volume 27.00375 ppm1 8.424 ppm2 0.883
 
! ############### n15noe.781 NOT folded
assi (attr store1 < 0.851 and attr store1 > 0.751 ) 
     ((attr store1 < 8.453 and attr store1 > 8.393 ) and bondedto
      (attr store1 < 121.388  and attr store1 > 120.588 ))
6 0.1 0.1 peak 781 volume 8.21440 ppm1 8.423 ppm2 0.801
 
! ############### n15noe.782 NOT folded
assi (attr store1 < 4.241 and attr store1 > 4.141 ) 
     ((attr store1 < 8.449 and attr store1 > 8.389 ) and bondedto
      (attr store1 < 121.402  and attr store1 > 120.602 ))
6 0.1 0.1 peak 782 volume 4.43307 ppm1 8.419 ppm2 4.191
 
! ############### n15noe.783 NOT folded
assi (attr store1 < 4.266 and attr store1 > 4.166 ) 
     ((attr store1 < 8.444 and attr store1 > 8.384 ) and bondedto
      (attr store1 < 121.41  and attr store1 > 120.61 ))
6 0.1 0.1 peak 783 volume 4.36711 ppm1 8.414 ppm2 4.216
 
! ############### n15noe.784 NOT folded
assi (attr store1 < 1.709 and attr store1 > 1.609 ) 
     ((attr store1 < 8.438 and attr store1 > 8.378 ) and bondedto
      (attr store1 < 121.382  and attr store1 > 120.582 ))
6 0.1 0.1 peak 784 volume 4.63657 ppm1 8.408 ppm2 1.659
 
! ############### n15noe.785 NOT folded
assi (attr store1 < 0.881 and attr store1 > 0.781 ) 
     ((attr store1 < 7.793 and attr store1 > 7.733 ) and bondedto
      (attr store1 < 121.378  and attr store1 > 120.578 ))
6 0.1 0.1 peak 785 volume 14.96930 ppm1 7.763 ppm2 0.831
 
! ############### n15noe.786 NOT folded
assi (attr store1 < 4.284 and attr store1 > 4.184 ) 
     ((attr store1 < 7.79 and attr store1 > 7.73 ) and bondedto
      (attr store1 < 121.394  and attr store1 > 120.594 ))
6 0.1 0.1 peak 786 volume 14.82090 ppm1 7.760 ppm2 4.234
 
! ############### n15noe.787 NOT folded
assi (attr store1 < 2.199 and attr store1 > 2.099 ) 
     ((attr store1 < 7.789 and attr store1 > 7.729 ) and bondedto
      (attr store1 < 121.369  and attr store1 > 120.569 ))
6 0.1 0.1 peak 787 volume 6.66924 ppm1 7.759 ppm2 2.149
 
! ############### n15noe.788 NOT folded
assi (attr store1 < 8.393 and attr store1 > 8.293 ) 
     ((attr store1 < 7.783 and attr store1 > 7.723 ) and bondedto
      (attr store1 < 121.413  and attr store1 > 120.613 ))
6 0.1 0.1 peak 788 volume 19.17871 ppm1 7.753 ppm2 8.343
 
! ############### n15noe.789 NOT folded
assi (attr store1 < 8.163 and attr store1 > 8.063 ) 
     ((attr store1 < 7.785 and attr store1 > 7.725 ) and bondedto
      (attr store1 < 121.385  and attr store1 > 120.585 ))
6 0.1 0.1 peak 789 volume 15.66723 ppm1 7.755 ppm2 8.113
 
! ############### n15noe.790 NOT folded
assi (attr store1 < 7.319 and attr store1 > 7.219 ) 
     ((attr store1 < 7.786 and attr store1 > 7.726 ) and bondedto
      (attr store1 < 121.406  and attr store1 > 120.606 ))
6 0.1 0.1 peak 790 volume 13.85063 ppm1 7.756 ppm2 7.269
 
! ############### n15noe.791 NOT folded
assi (attr store1 < 4.176 and attr store1 > 4.076 ) 
     ((attr store1 < 7.784 and attr store1 > 7.724 ) and bondedto
      (attr store1 < 121.41  and attr store1 > 120.61 ))
6 0.1 0.1 peak 791 volume 24.59942 ppm1 7.754 ppm2 4.126
 
! ############### n15noe.792 NOT folded
assi (attr store1 < 3.955 and attr store1 > 3.855 ) 
     ((attr store1 < 7.782 and attr store1 > 7.722 ) and bondedto
      (attr store1 < 121.412  and attr store1 > 120.612 ))
6 0.1 0.1 peak 792 volume 16.71146 ppm1 7.752 ppm2 3.905
 
! ############### n15noe.793 NOT folded
assi (attr store1 < 2.094 and attr store1 > 1.994 ) 
     ((attr store1 < 7.784 and attr store1 > 7.724 ) and bondedto
      (attr store1 < 121.418  and attr store1 > 120.618 ))
6 0.1 0.1 peak 793 volume 19.47674 ppm1 7.754 ppm2 2.044
 
! ############### n15noe.794 NOT folded
assi (attr store1 < 1.888 and attr store1 > 1.788 ) 
     ((attr store1 < 7.786 and attr store1 > 7.726 ) and bondedto
      (attr store1 < 121.393  and attr store1 > 120.593 ))
6 0.1 0.1 peak 794 volume 28.33144 ppm1 7.756 ppm2 1.838
 
! ############### n15noe.795 NOT folded
assi (attr store1 < 1.801 and attr store1 > 1.701 ) 
     ((attr store1 < 7.781 and attr store1 > 7.721 ) and bondedto
      (attr store1 < 121.382  and attr store1 > 120.582 ))
6 0.1 0.1 peak 795 volume 11.57327 ppm1 7.751 ppm2 1.751
 
! ############### n15noe.796 NOT folded
assi (attr store1 < 1.72 and attr store1 > 1.62 ) 
     ((attr store1 < 7.785 and attr store1 > 7.725 ) and bondedto
      (attr store1 < 121.394  and attr store1 > 120.594 ))
6 0.1 0.1 peak 796 volume 47.28543 ppm1 7.755 ppm2 1.670
 
! ############### n15noe.797 NOT folded
assi (attr store1 < 4.719 and attr store1 > 4.619 ) 
     ((attr store1 < 7.776 and attr store1 > 7.716 ) and bondedto
      (attr store1 < 121.355  and attr store1 > 120.555 ))
6 0.1 0.1 peak 797 volume 4.72272 ppm1 7.746 ppm2 4.669
 
! ############### n15noe.798 NOT folded
assi (attr store1 < 4.579 and attr store1 > 4.479 ) 
     ((attr store1 < 7.781 and attr store1 > 7.721 ) and bondedto
      (attr store1 < 121.385  and attr store1 > 120.585 ))
6 0.1 0.1 peak 798 volume 3.95932 ppm1 7.751 ppm2 4.529
 
! ############### n15noe.799 NOT folded
assi (attr store1 < 4.039 and attr store1 > 3.939 ) 
     ((attr store1 < 7.781 and attr store1 > 7.721 ) and bondedto
      (attr store1 < 121.402  and attr store1 > 120.602 ))
6 0.1 0.1 peak 799 volume 19.81479 ppm1 7.751 ppm2 3.989
 
! ############### n15noe.800 NOT folded
assi (attr store1 < 3.064 and attr store1 > 2.964 ) 
     ((attr store1 < 7.778 and attr store1 > 7.718 ) and bondedto
      (attr store1 < 121.392  and attr store1 > 120.592 ))
6 0.1 0.1 peak 800 volume 5.02276 ppm1 7.748 ppm2 3.014
 
! ############### n15noe.801 NOT folded
assi (attr store1 < 3.0 and attr store1 > 2.9 ) 
     ((attr store1 < 7.779 and attr store1 > 7.719 ) and bondedto
      (attr store1 < 121.384  and attr store1 > 120.584 ))
6 0.1 0.1 peak 801 volume 6.82004 ppm1 7.749 ppm2 2.950
 
! ############### n15noe.802 NOT folded
assi (attr store1 < 2.41 and attr store1 > 2.31 ) 
     ((attr store1 < 7.779 and attr store1 > 7.719 ) and bondedto
      (attr store1 < 121.4  and attr store1 > 120.6 ))
6 0.1 0.1 peak 802 volume 22.21096 ppm1 7.749 ppm2 2.360
 
! ############### n15noe.803 NOT folded
assi (attr store1 < 2.244 and attr store1 > 2.144 ) 
     ((attr store1 < 7.779 and attr store1 > 7.719 ) and bondedto
      (attr store1 < 121.386  and attr store1 > 120.586 ))
6 0.1 0.1 peak 803 volume 7.70290 ppm1 7.749 ppm2 2.194
 
! ############### n15noe.804 NOT folded
assi (attr store1 < 1.584 and attr store1 > 1.484 ) 
     ((attr store1 < 7.78 and attr store1 > 7.72 ) and bondedto
      (attr store1 < 121.399  and attr store1 > 120.599 ))
6 0.1 0.1 peak 804 volume 37.41989 ppm1 7.750 ppm2 1.534
 
! ############### n15noe.805 NOT folded
assi ( resid  22  and name HG2%)
     ( resid 129  and name HN  )
6 0.1 0.1 peak 805 volume 17.08249 ppm1 7.749 ppm2 1.076
 
! ############### n15noe.806 NOT folded
assi (attr store1 < 0.97 and attr store1 > 0.87 ) 
     ((attr store1 < 7.779 and attr store1 > 7.719 ) and bondedto
      (attr store1 < 121.39  and attr store1 > 120.59 ))
6 0.1 0.1 peak 806 volume 27.45822 ppm1 7.749 ppm2 0.920
 
! ############### n15noe.807 NOT folded
assi (attr store1 < 8.235 and attr store1 > 8.135 ) 
     ((attr store1 < 7.775 and attr store1 > 7.715 ) and bondedto
      (attr store1 < 121.374  and attr store1 > 120.574 ))
6 0.1 0.1 peak 807 volume 9.98934 ppm1 7.745 ppm2 8.185
 
! ############### n15noe.808 NOT folded
assi (attr store1 < 0.908 and attr store1 > 0.808 ) 
     ((attr store1 < 7.768 and attr store1 > 7.708 ) and bondedto
      (attr store1 < 121.372  and attr store1 > 120.572 ))
6 0.1 0.1 peak 808 volume 14.81963 ppm1 7.738 ppm2 0.858
 
! ############### n15noe.809 NOT folded
assi (attr store1 < 2.089 and attr store1 > 1.989 ) 
     ((attr store1 < 7.735 and attr store1 > 7.675 ) and bondedto
      (attr store1 < 121.362  and attr store1 > 120.562 ))
6 0.1 0.1 peak 809 volume 3.52670 ppm1 7.705 ppm2 2.039
 
! ############### n15noe.810 NOT folded
assi (attr store1 < 2.006 and attr store1 > 1.906 ) 
     ((attr store1 < 7.734 and attr store1 > 7.674 ) and bondedto
      (attr store1 < 121.401  and attr store1 > 120.601 ))
6 0.1 0.1 peak 810 volume 3.57084 ppm1 7.704 ppm2 1.956
 
! ############### n15noe.811 NOT folded
assi (attr store1 < 1.07 and attr store1 > 0.97 ) 
     ((attr store1 < 7.734 and attr store1 > 7.674 ) and bondedto
      (attr store1 < 121.346  and attr store1 > 120.546 ))
6 0.1 0.1 peak 811 volume 4.95604 ppm1 7.704 ppm2 1.020
 
! ############### n15noe.812 NOT folded
assi (attr store1 < 7.769 and attr store1 > 7.669 ) 
     ((attr store1 < 7.68 and attr store1 > 7.62 ) and bondedto
      (attr store1 < 121.352  and attr store1 > 120.552 ))
6 0.1 0.1 peak 812 volume 16.70634 ppm1 7.650 ppm2 7.719
 
! ############### n15noe.813 NOT folded
assi (attr store1 < 2.45 and attr store1 > 2.35 ) 
     ((attr store1 < 7.338 and attr store1 > 7.278 ) and bondedto
      (attr store1 < 121.377  and attr store1 > 120.577 ))
6 0.1 0.1 peak 813 volume 9.34017 ppm1 7.308 ppm2 2.400
 
! ############### n15noe.814 NOT folded
assi (attr store1 < 2.26 and attr store1 > 2.16 ) 
     ((attr store1 < 7.331 and attr store1 > 7.271 ) and bondedto
      (attr store1 < 121.39  and attr store1 > 120.59 ))
6 0.1 0.1 peak 814 volume 11.93288 ppm1 7.301 ppm2 2.210
 
! ############### n15noe.815 NOT folded
assi (attr store1 < 0.992 and attr store1 > 0.892 ) 
     ((attr store1 < 7.331 and attr store1 > 7.271 ) and bondedto
      (attr store1 < 121.38  and attr store1 > 120.58 ))
6 0.1 0.1 peak 815 volume 7.62072 ppm1 7.301 ppm2 0.942
 
! ############### n15noe.816 NOT folded
assi (attr store1 < 0.931 and attr store1 > 0.831 ) 
     ((attr store1 < 7.332 and attr store1 > 7.272 ) and bondedto
      (attr store1 < 121.394  and attr store1 > 120.594 ))
6 0.1 0.1 peak 816 volume 8.87092 ppm1 7.302 ppm2 0.881
 
! ############### n15noe.817 NOT folded
assi (attr store1 < 8.716 and attr store1 > 8.616 ) 
     ((attr store1 < 7.327 and attr store1 > 7.267 ) and bondedto
      (attr store1 < 121.395  and attr store1 > 120.595 ))
6 0.1 0.1 peak 817 volume 15.86168 ppm1 7.297 ppm2 8.666
 
! ############### n15noe.818 NOT folded
assi (attr store1 < 3.551 and attr store1 > 3.451 ) 
     ((attr store1 < 7.326 and attr store1 > 7.266 ) and bondedto
      (attr store1 < 121.4  and attr store1 > 120.6 ))
6 0.1 0.1 peak 818 volume 12.77037 ppm1 7.296 ppm2 3.501
 
! ############### n15noe.819 NOT folded
assi (attr store1 < 1.594 and attr store1 > 1.494 ) 
     ((attr store1 < 7.33 and attr store1 > 7.27 ) and bondedto
      (attr store1 < 121.37  and attr store1 > 120.57 ))
6 0.1 0.1 peak 819 volume 5.50038 ppm1 7.300 ppm2 1.544
 
! ############### n15noe.820 NOT folded
assi (attr store1 < 1.088 and attr store1 > 0.988 ) 
     ((attr store1 < 7.327 and attr store1 > 7.267 ) and bondedto
      (attr store1 < 121.393  and attr store1 > 120.593 ))
6 0.1 0.1 peak 820 volume 27.85360 ppm1 7.297 ppm2 1.038
 
! ############### n15noe.821 NOT folded
assi (attr store1 < 0.83 and attr store1 > 0.73 ) 
     ((attr store1 < 7.325 and attr store1 > 7.265 ) and bondedto
      (attr store1 < 121.39  and attr store1 > 120.59 ))
6 0.1 0.1 peak 821 volume 12.33464 ppm1 7.295 ppm2 0.780
 
! ############### n15noe.822 NOT folded
assi (attr store1 < 8.855 and attr store1 > 8.755 ) 
     ((attr store1 < 7.324 and attr store1 > 7.264 ) and bondedto
      (attr store1 < 121.369  and attr store1 > 120.569 ))
6 0.1 0.1 peak 822 volume 4.46207 ppm1 7.294 ppm2 8.805
 
! ############### n15noe.823 NOT folded
assi (attr store1 < 7.64 and attr store1 > 7.54 ) 
     ((attr store1 < 7.323 and attr store1 > 7.263 ) and bondedto
      (attr store1 < 121.374  and attr store1 > 120.574 ))
6 0.1 0.1 peak 823 volume 13.23378 ppm1 7.293 ppm2 7.590
 
! ############### n15noe.824 NOT folded
assi (attr store1 < 4.087 and attr store1 > 3.987 ) 
     ((attr store1 < 7.323 and attr store1 > 7.263 ) and bondedto
      (attr store1 < 121.397  and attr store1 > 120.597 ))
6 0.1 0.1 peak 824 volume 5.85367 ppm1 7.293 ppm2 4.037
 
! ############### n15noe.825 NOT folded
assi (attr store1 < 3.781 and attr store1 > 3.681 ) 
     ((attr store1 < 7.324 and attr store1 > 7.264 ) and bondedto
      (attr store1 < 121.397  and attr store1 > 120.597 ))
6 0.1 0.1 peak 825 volume 4.63261 ppm1 7.294 ppm2 3.731
 
! ############### n15noe.826 NOT folded
assi (attr store1 < 3.634 and attr store1 > 3.534 ) 
     ((attr store1 < 7.325 and attr store1 > 7.265 ) and bondedto
      (attr store1 < 121.392  and attr store1 > 120.592 ))
6 0.1 0.1 peak 826 volume 9.80474 ppm1 7.295 ppm2 3.584
 
! ############### n15noe.827 NOT folded
assi (attr store1 < 2.374 and attr store1 > 2.274 ) 
     ((attr store1 < 7.325 and attr store1 > 7.265 ) and bondedto
      (attr store1 < 121.382  and attr store1 > 120.582 ))
6 0.1 0.1 peak 827 volume 22.93068 ppm1 7.295 ppm2 2.324
 
! ############### n15noe.828 NOT folded
assi (attr store1 < 1.614 and attr store1 > 1.514 ) 
     ((attr store1 < 7.322 and attr store1 > 7.262 ) and bondedto
      (attr store1 < 121.377  and attr store1 > 120.577 ))
6 0.1 0.1 peak 828 volume 5.36096 ppm1 7.292 ppm2 1.564
 
! ############### n15noe.829 NOT folded
assi (attr store1 < 1.17 and attr store1 > 1.07 ) 
     ((attr store1 < 7.322 and attr store1 > 7.262 ) and bondedto
      (attr store1 < 121.406  and attr store1 > 120.606 ))
6 0.1 0.1 peak 829 volume 6.35891 ppm1 7.292 ppm2 1.120
 
! ############### n15noe.830 NOT folded
assi (attr store1 < 4.085 and attr store1 > 3.985 ) 
     ((attr store1 < 7.267 and attr store1 > 7.207 ) and bondedto
      (attr store1 < 121.404  and attr store1 > 120.604 ))
6 0.1 0.1 peak 830 volume 4.06454 ppm1 7.237 ppm2 4.035
 
! ############### n15noe.831 NOT folded
assi (attr store1 < 1.065 and attr store1 > 0.965 ) 
     ((attr store1 < 7.269 and attr store1 > 7.209 ) and bondedto
      (attr store1 < 121.388  and attr store1 > 120.588 ))
6 0.1 0.1 peak 831 volume 4.19567 ppm1 7.239 ppm2 1.015
 
! ############### n15noe.832 NOT folded
assi (attr store1 < 4.72 and attr store1 > 4.62 ) 
     ((attr store1 < 7.256 and attr store1 > 7.196 ) and bondedto
      (attr store1 < 121.421  and attr store1 > 120.621 ))
6 0.1 0.1 peak 832 volume 7.57305 ppm1 7.226 ppm2 4.670
 
! ############### n15noe.833 NOT folded
assi (attr store1 < 1.144 and attr store1 > 1.044 ) 
     ((attr store1 < 7.203 and attr store1 > 7.143 ) and bondedto
      (attr store1 < 121.404  and attr store1 > 120.604 ))
6 0.1 0.1 peak 833 volume 3.86643 ppm1 7.173 ppm2 1.094
 
! ############### n15noe.834 NOT folded
assi (attr store1 < 4.736 and attr store1 > 4.636 ) 
     ((attr store1 < 8.558 and attr store1 > 8.498 ) and bondedto
      (attr store1 < 121.292  and attr store1 > 120.492 ))
6 0.1 0.1 peak 834 volume 13.48239 ppm1 8.528 ppm2 4.686
 
! ############### n15noe.835 NOT folded
assi (attr store1 < 8.712 and attr store1 > 8.612 ) 
     ((attr store1 < 8.475 and attr store1 > 8.415 ) and bondedto
      (attr store1 < 121.302  and attr store1 > 120.502 ))
6 0.1 0.1 peak 835 volume 4.75029 ppm1 8.445 ppm2 8.662
 
! ############### n15noe.836 NOT folded
assi (attr store1 < 2.146 and attr store1 > 2.046 ) 
     ((attr store1 < 8.462 and attr store1 > 8.402 ) and bondedto
      (attr store1 < 121.294  and attr store1 > 120.494 ))
6 0.1 0.1 peak 836 volume 21.27076 ppm1 8.432 ppm2 2.096
 
! ############### n15noe.837 NOT folded
assi (attr store1 < 1.707 and attr store1 > 1.607 ) 
     ((attr store1 < 8.459 and attr store1 > 8.399 ) and bondedto
      (attr store1 < 121.308  and attr store1 > 120.508 ))
6 0.1 0.1 peak 837 volume 4.40892 ppm1 8.429 ppm2 1.657
 
! ############### n15noe.838 NOT folded
assi (attr store1 < 1.492 and attr store1 > 1.392 ) 
     ((attr store1 < 8.46 and attr store1 > 8.4 ) and bondedto
      (attr store1 < 121.316  and attr store1 > 120.516 ))
6 0.1 0.1 peak 838 volume 11.00900 ppm1 8.430 ppm2 1.442
 
! ############### n15noe.839 NOT folded
assi (attr store1 < 1.032 and attr store1 > 0.932 ) 
     ((attr store1 < 8.461 and attr store1 > 8.401 ) and bondedto
      (attr store1 < 121.304  and attr store1 > 120.504 ))
6 0.1 0.1 peak 839 volume 40.57346 ppm1 8.431 ppm2 0.982
 
! ############### n15noe.840 NOT folded
assi (attr store1 < 7.74 and attr store1 > 7.64 ) 
     ((attr store1 < 8.456 and attr store1 > 8.396 ) and bondedto
      (attr store1 < 121.289  and attr store1 > 120.489 ))
6 0.1 0.1 peak 840 volume 14.88624 ppm1 8.426 ppm2 7.690
 
! ############### n15noe.841 NOT folded
assi (attr store1 < 2.177 and attr store1 > 2.077 ) 
     ((attr store1 < 8.412 and attr store1 > 8.352 ) and bondedto
      (attr store1 < 121.3  and attr store1 > 120.5 ))
6 0.1 0.1 peak 841 volume 4.56414 ppm1 8.382 ppm2 2.127
 
! ############### n15noe.842 NOT folded
assi (attr store1 < 0.973 and attr store1 > 0.873 ) 
     ((attr store1 < 8.083 and attr store1 > 8.023 ) and bondedto
      (attr store1 < 121.273  and attr store1 > 120.473 ))
6 0.1 0.1 peak 842 volume 32.02941 ppm1 8.053 ppm2 0.923
 
! ############### n15noe.843 NOT folded
assi (attr store1 < 8.366 and attr store1 > 8.266 ) 
     ((attr store1 < 8.082 and attr store1 > 8.022 ) and bondedto
      (attr store1 < 121.279  and attr store1 > 120.479 ))
6 0.1 0.1 peak 843 volume 12.67712 ppm1 8.052 ppm2 8.316
 
! ############### n15noe.844 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 8.082 and attr store1 > 8.022 ) and bondedto
      (attr store1 < 121.266  and attr store1 > 120.466 ))
6 0.1 0.1 peak 844 volume 185.54195 ppm1 8.052 ppm2 4.688
 
! ############### n15noe.845 NOT folded
assi (attr store1 < 4.205 and attr store1 > 4.105 ) 
     ((attr store1 < 8.082 and attr store1 > 8.022 ) and bondedto
      (attr store1 < 121.258  and attr store1 > 120.458 ))
6 0.1 0.1 peak 845 volume 26.06871 ppm1 8.052 ppm2 4.155
 
! ############### n15noe.846 NOT folded
assi (attr store1 < 4.045 and attr store1 > 3.945 ) 
     ((attr store1 < 8.082 and attr store1 > 8.022 ) and bondedto
      (attr store1 < 121.258  and attr store1 > 120.458 ))
6 0.1 0.1 peak 846 volume 112.71913 ppm1 8.052 ppm2 3.995
 
! ############### n15noe.847 NOT folded
assi (attr store1 < 1.937 and attr store1 > 1.837 ) 
     ((attr store1 < 8.082 and attr store1 > 8.022 ) and bondedto
      (attr store1 < 121.265  and attr store1 > 120.465 ))
6 0.1 0.1 peak 847 volume 60.12943 ppm1 8.052 ppm2 1.887
 
! ############### n15noe.848 NOT folded
assi (attr store1 < 1.862 and attr store1 > 1.762 ) 
     ((attr store1 < 8.082 and attr store1 > 8.022 ) and bondedto
      (attr store1 < 121.302  and attr store1 > 120.502 ))
6 0.1 0.1 peak 848 volume 6.17616 ppm1 8.052 ppm2 1.812
 
! ############### n15noe.849 NOT folded
assi (attr store1 < 1.496 and attr store1 > 1.396 ) 
     ((attr store1 < 8.083 and attr store1 > 8.023 ) and bondedto
      (attr store1 < 121.276  and attr store1 > 120.476 ))
6 0.1 0.1 peak 849 volume 20.92184 ppm1 8.053 ppm2 1.446
 
! ############### n15noe.850 NOT folded
assi (attr store1 < 1.264 and attr store1 > 1.164 ) 
     ((attr store1 < 8.083 and attr store1 > 8.023 ) and bondedto
      (attr store1 < 121.268  and attr store1 > 120.468 ))
6 0.1 0.1 peak 850 volume 30.11479 ppm1 8.053 ppm2 1.214
 
! ############### n15noe.851 NOT folded
assi (attr store1 < 8.236 and attr store1 > 8.136 ) 
     ((attr store1 < 7.848 and attr store1 > 7.788 ) and bondedto
      (attr store1 < 121.268  and attr store1 > 120.468 ))
6 0.1 0.1 peak 851 volume 9.45535 ppm1 7.818 ppm2 8.186
 
! ############### n15noe.852 NOT folded
assi (attr store1 < 2.816 and attr store1 > 2.716 ) 
     ((attr store1 < 7.848 and attr store1 > 7.788 ) and bondedto
      (attr store1 < 121.266  and attr store1 > 120.466 ))
6 0.1 0.1 peak 852 volume 6.99763 ppm1 7.818 ppm2 2.766
 
! ############### n15noe.853 NOT folded
assi (attr store1 < 2.59 and attr store1 > 2.49 ) 
     ((attr store1 < 7.847 and attr store1 > 7.787 ) and bondedto
      (attr store1 < 121.269  and attr store1 > 120.469 ))
6 0.1 0.1 peak 853 volume 6.89539 ppm1 7.817 ppm2 2.540
 
! ############### n15noe.854 NOT folded
assi (attr store1 < 4.733 and attr store1 > 4.633 ) 
     ((attr store1 < 7.843 and attr store1 > 7.783 ) and bondedto
      (attr store1 < 121.247  and attr store1 > 120.447 ))
6 0.1 0.1 peak 854 volume 10.20385 ppm1 7.813 ppm2 4.683
 
! ############### n15noe.855 NOT folded
assi (attr store1 < 2.703 and attr store1 > 2.603 ) 
     ((attr store1 < 7.844 and attr store1 > 7.784 ) and bondedto
      (attr store1 < 121.261  and attr store1 > 120.461 ))
6 0.1 0.1 peak 855 volume 11.41713 ppm1 7.814 ppm2 2.653
 
! ############### n15noe.856 NOT folded
assi (attr store1 < 2.414 and attr store1 > 2.314 ) 
     ((attr store1 < 7.844 and attr store1 > 7.784 ) and bondedto
      (attr store1 < 121.266  and attr store1 > 120.466 ))
6 0.1 0.1 peak 856 volume 12.53925 ppm1 7.814 ppm2 2.364
 
! ############### n15noe.857 NOT folded
assi (attr store1 < 2.579 and attr store1 > 2.479 ) 
     ((attr store1 < 7.841 and attr store1 > 7.781 ) and bondedto
      (attr store1 < 121.29  and attr store1 > 120.49 ))
6 0.1 0.1 peak 857 volume 6.93427 ppm1 7.811 ppm2 2.529
 
! ############### n15noe.858 NOT folded
assi (attr store1 < 4.054 and attr store1 > 3.954 ) 
     ((attr store1 < 7.744 and attr store1 > 7.684 ) and bondedto
      (attr store1 < 121.286  and attr store1 > 120.486 ))
6 0.1 0.1 peak 858 volume 19.66520 ppm1 7.714 ppm2 4.004
 
! ############### n15noe.859 NOT folded
assi (attr store1 < 3.98 and attr store1 > 3.88 ) 
     ((attr store1 < 7.746 and attr store1 > 7.686 ) and bondedto
      (attr store1 < 121.297  and attr store1 > 120.497 ))
6 0.1 0.1 peak 859 volume 9.62434 ppm1 7.716 ppm2 3.930
 
! ############### n15noe.860 NOT folded
assi (attr store1 < 0.975 and attr store1 > 0.875 ) 
     ((attr store1 < 7.743 and attr store1 > 7.683 ) and bondedto
      (attr store1 < 121.268  and attr store1 > 120.468 ))
6 0.1 0.1 peak 860 volume 22.14502 ppm1 7.713 ppm2 0.925
 
! ############### n15noe.861 NOT folded
assi (attr store1 < 0.899 and attr store1 > 0.799 ) 
     ((attr store1 < 7.744 and attr store1 > 7.684 ) and bondedto
      (attr store1 < 121.29  and attr store1 > 120.49 ))
6 0.1 0.1 peak 861 volume 16.55260 ppm1 7.714 ppm2 0.849
 
! ############### n15noe.862 NOT folded
assi (attr store1 < 8.241 and attr store1 > 8.141 ) 
     ((attr store1 < 7.742 and attr store1 > 7.682 ) and bondedto
      (attr store1 < 121.256  and attr store1 > 120.456 ))
6 0.1 0.1 peak 862 volume 16.19186 ppm1 7.712 ppm2 8.191
 
! ############### n15noe.863 NOT folded
assi (attr store1 < 4.158 and attr store1 > 4.058 ) 
     ((attr store1 < 7.741 and attr store1 > 7.681 ) and bondedto
      (attr store1 < 121.279  and attr store1 > 120.479 ))
6 0.1 0.1 peak 863 volume 11.79400 ppm1 7.711 ppm2 4.108
 
! ############### n15noe.864 NOT folded
assi (attr store1 < 3.015 and attr store1 > 2.915 ) 
     ((attr store1 < 7.74 and attr store1 > 7.68 ) and bondedto
      (attr store1 < 121.274  and attr store1 > 120.474 ))
6 0.1 0.1 peak 864 volume 19.51587 ppm1 7.710 ppm2 2.965
 
! ############### n15noe.865 NOT folded
assi (attr store1 < 2.376 and attr store1 > 2.276 ) 
     ((attr store1 < 7.742 and attr store1 > 7.682 ) and bondedto
      (attr store1 < 121.261  and attr store1 > 120.461 ))
6 0.1 0.1 peak 865 volume 23.11442 ppm1 7.712 ppm2 2.326
 
! ############### n15noe.866 NOT folded
assi (attr store1 < 1.601 and attr store1 > 1.501 ) 
     ((attr store1 < 7.742 and attr store1 > 7.682 ) and bondedto
      (attr store1 < 121.267  and attr store1 > 120.467 ))
6 0.1 0.1 peak 866 volume 34.20525 ppm1 7.712 ppm2 1.551
 
! ############### n15noe.867 NOT folded
assi (attr store1 < 4.57 and attr store1 > 4.47 ) 
     ((attr store1 < 7.736 and attr store1 > 7.676 ) and bondedto
      (attr store1 < 121.267  and attr store1 > 120.467 ))
6 0.1 0.1 peak 867 volume 7.04874 ppm1 7.706 ppm2 4.520
 
! ############### n15noe.868 NOT folded
assi (attr store1 < 1.719 and attr store1 > 1.619 ) 
     ((attr store1 < 7.701 and attr store1 > 7.641 ) and bondedto
      (attr store1 < 121.274  and attr store1 > 120.474 ))
6 0.1 0.1 peak 868 volume 6.65065 ppm1 7.671 ppm2 1.669
 
! ############### n15noe.869 NOT folded
assi (attr store1 < 0.907 and attr store1 > 0.807 ) 
     ((attr store1 < 7.693 and attr store1 > 7.633 ) and bondedto
      (attr store1 < 121.264  and attr store1 > 120.464 ))
6 0.1 0.1 peak 869 volume 5.23449 ppm1 7.663 ppm2 0.857
 
! ############### n15noe.870 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 8.64 and attr store1 > 8.58 ) and bondedto
      (attr store1 < 121.18  and attr store1 > 120.38 ))
6 0.1 0.1 peak 870 volume 119.02917 ppm1 8.610 ppm2 4.687
 
! ############### n15noe.871 NOT folded
assi (attr store1 < 3.88 and attr store1 > 3.78 ) 
     ((attr store1 < 8.639 and attr store1 > 8.579 ) and bondedto
      (attr store1 < 121.196  and attr store1 > 120.396 ))
6 0.1 0.1 peak 871 volume 9.91406 ppm1 8.609 ppm2 3.830
 
! ############### n15noe.872 NOT folded
assi (attr store1 < 8.016 and attr store1 > 7.916 ) 
     ((attr store1 < 8.637 and attr store1 > 8.577 ) and bondedto
      (attr store1 < 121.178  and attr store1 > 120.378 ))
6 0.1 0.1 peak 872 volume 10.89915 ppm1 8.607 ppm2 7.966
 
! ############### n15noe.873 NOT folded
assi (attr store1 < 4.371 and attr store1 > 4.271 ) 
     ((attr store1 < 8.636 and attr store1 > 8.576 ) and bondedto
      (attr store1 < 121.171  and attr store1 > 120.371 ))
6 0.1 0.1 peak 873 volume 26.45820 ppm1 8.606 ppm2 4.321
 
! ############### n15noe.874 NOT folded
assi (attr store1 < 2.989 and attr store1 > 2.889 ) 
     ((attr store1 < 8.634 and attr store1 > 8.574 ) and bondedto
      (attr store1 < 121.195  and attr store1 > 120.395 ))
6 0.1 0.1 peak 874 volume 11.23093 ppm1 8.604 ppm2 2.939
 
! ############### n15noe.875 NOT folded
assi (attr store1 < 2.835 and attr store1 > 2.735 ) 
     ((attr store1 < 8.638 and attr store1 > 8.578 ) and bondedto
      (attr store1 < 121.168  and attr store1 > 120.368 ))
6 0.1 0.1 peak 875 volume 10.18151 ppm1 8.608 ppm2 2.785
 
! ############### n15noe.876 NOT folded
assi (attr store1 < 3.881 and attr store1 > 3.781 ) 
     ((attr store1 < 8.632 and attr store1 > 8.572 ) and bondedto
      (attr store1 < 121.195  and attr store1 > 120.395 ))
6 0.1 0.1 peak 876 volume 9.84250 ppm1 8.602 ppm2 3.831
 
! ############### n15noe.877 NOT folded
assi (attr store1 < 4.32 and attr store1 > 4.22 ) 
     ((attr store1 < 7.843 and attr store1 > 7.783 ) and bondedto
      (attr store1 < 121.205  and attr store1 > 120.405 ))
6 0.1 0.1 peak 877 volume 6.32087 ppm1 7.813 ppm2 4.270
 
! ############### n15noe.878 NOT folded
assi (attr store1 < 4.088 and attr store1 > 3.988 ) 
     ((attr store1 < 7.839 and attr store1 > 7.779 ) and bondedto
      (attr store1 < 121.168  and attr store1 > 120.368 ))
6 0.1 0.1 peak 878 volume 17.37696 ppm1 7.809 ppm2 4.038
 
! ############### n15noe.879 NOT folded
assi (attr store1 < 3.025 and attr store1 > 2.925 ) 
     ((attr store1 < 7.682 and attr store1 > 7.622 ) and bondedto
      (attr store1 < 121.204  and attr store1 > 120.404 ))
6 0.1 0.1 peak 879 volume 5.05047 ppm1 7.652 ppm2 2.975
 
! ############### n15noe.880 NOT folded
assi (attr store1 < 4.011 and attr store1 > 3.911 ) 
     ((attr store1 < 7.66 and attr store1 > 7.6 ) and bondedto
      (attr store1 < 121.175  and attr store1 > 120.375 ))
6 0.1 0.1 peak 880 volume 12.47054 ppm1 7.630 ppm2 3.961
 
! ############### n15noe.881 NOT folded
assi (attr store1 < 3.012 and attr store1 > 2.912 ) 
     ((attr store1 < 7.661 and attr store1 > 7.601 ) and bondedto
      (attr store1 < 121.184  and attr store1 > 120.384 ))
6 0.1 0.1 peak 881 volume 5.73376 ppm1 7.631 ppm2 2.962
 
! ############### n15noe.882 NOT folded
assi (attr store1 < 8.523 and attr store1 > 8.423 ) 
     ((attr store1 < 7.656 and attr store1 > 7.596 ) and bondedto
      (attr store1 < 121.173  and attr store1 > 120.373 ))
6 0.1 0.1 peak 882 volume 19.52095 ppm1 7.626 ppm2 8.473
 
! ############### n15noe.883 NOT folded
assi (attr store1 < 8.241 and attr store1 > 8.141 ) 
     ((attr store1 < 7.656 and attr store1 > 7.596 ) and bondedto
      (attr store1 < 121.179  and attr store1 > 120.379 ))
6 0.1 0.1 peak 883 volume 16.60669 ppm1 7.626 ppm2 8.191
 
! ############### n15noe.884 NOT folded
assi (attr store1 < 4.723 and attr store1 > 4.623 ) 
     ((attr store1 < 7.658 and attr store1 > 7.598 ) and bondedto
      (attr store1 < 121.164  and attr store1 > 120.364 ))
6 0.1 0.1 peak 884 volume 4.15524 ppm1 7.628 ppm2 4.673
 
! ############### n15noe.885 NOT folded
assi (attr store1 < 3.544 and attr store1 > 3.444 ) 
     ((attr store1 < 7.656 and attr store1 > 7.596 ) and bondedto
      (attr store1 < 121.165  and attr store1 > 120.365 ))
6 0.1 0.1 peak 885 volume 7.51766 ppm1 7.626 ppm2 3.494
 
! ############### n15noe.886 NOT folded
assi (attr store1 < 2.394 and attr store1 > 2.294 ) 
     ((attr store1 < 7.656 and attr store1 > 7.596 ) and bondedto
      (attr store1 < 121.193  and attr store1 > 120.393 ))
6 0.1 0.1 peak 886 volume 21.98281 ppm1 7.626 ppm2 2.344
 
! ############### n15noe.887 NOT folded
assi (attr store1 < 1.719 and attr store1 > 1.619 ) 
     ((attr store1 < 7.658 and attr store1 > 7.598 ) and bondedto
      (attr store1 < 121.185  and attr store1 > 120.385 ))
6 0.1 0.1 peak 887 volume 21.28304 ppm1 7.628 ppm2 1.669
 
! ############### n15noe.888 NOT folded
assi (attr store1 < 1.578 and attr store1 > 1.478 ) 
     ((attr store1 < 7.657 and attr store1 > 7.597 ) and bondedto
      (attr store1 < 121.182  and attr store1 > 120.382 ))
6 0.1 0.1 peak 888 volume 37.47738 ppm1 7.627 ppm2 1.528
 
! ############### n15noe.889 NOT folded
assi (attr store1 < 0.957 and attr store1 > 0.857 ) 
     ((attr store1 < 7.657 and attr store1 > 7.597 ) and bondedto
      (attr store1 < 121.19  and attr store1 > 120.39 ))
6 0.1 0.1 peak 889 volume 19.74363 ppm1 7.627 ppm2 0.907
 
! ############### n15noe.890 NOT folded
assi (attr store1 < 4.15 and attr store1 > 4.05 ) 
     ((attr store1 < 7.652 and attr store1 > 7.592 ) and bondedto
      (attr store1 < 121.159  and attr store1 > 120.359 ))
6 0.1 0.1 peak 890 volume 6.45389 ppm1 7.622 ppm2 4.100
 
! ############### n15noe.891 NOT folded
assi (attr store1 < 4.015 and attr store1 > 3.915 ) 
     ((attr store1 < 7.648 and attr store1 > 7.588 ) and bondedto
      (attr store1 < 121.163  and attr store1 > 120.363 ))
6 0.1 0.1 peak 891 volume 12.45024 ppm1 7.618 ppm2 3.965
 
! ############### n15noe.892 NOT folded
assi (attr store1 < 2.372 and attr store1 > 2.272 ) 
     ((attr store1 < 8.567 and attr store1 > 8.507 ) and bondedto
      (attr store1 < 121.076  and attr store1 > 120.276 ))
6 0.1 0.1 peak 892 volume 14.39143 ppm1 8.537 ppm2 2.322
 
! ############### n15noe.893 NOT folded
assi (attr store1 < 8.432 and attr store1 > 8.332 ) 
     ((attr store1 < 8.565 and attr store1 > 8.505 ) and bondedto
      (attr store1 < 121.076  and attr store1 > 120.276 ))
6 0.1 0.1 peak 893 volume 17.24198 ppm1 8.535 ppm2 8.382
 
! ############### n15noe.894 NOT folded
assi (attr store1 < 8.049 and attr store1 > 7.949 ) 
     ((attr store1 < 8.562 and attr store1 > 8.502 ) and bondedto
      (attr store1 < 121.087  and attr store1 > 120.287 ))
6 0.1 0.1 peak 894 volume 5.49456 ppm1 8.532 ppm2 7.999
 
! ############### n15noe.895 NOT folded
assi (attr store1 < 7.897 and attr store1 > 7.797 ) 
     ((attr store1 < 8.564 and attr store1 > 8.504 ) and bondedto
      (attr store1 < 121.08  and attr store1 > 120.28 ))
6 0.1 0.1 peak 895 volume 13.05106 ppm1 8.534 ppm2 7.847
 
! ############### n15noe.896 NOT folded
assi (attr store1 < 7.154 and attr store1 > 7.054 ) 
     ((attr store1 < 8.562 and attr store1 > 8.502 ) and bondedto
      (attr store1 < 121.062  and attr store1 > 120.262 ))
6 0.1 0.1 peak 896 volume 7.87140 ppm1 8.532 ppm2 7.104
 
! ############### n15noe.897 NOT folded
assi (attr store1 < 4.169 and attr store1 > 4.069 ) 
     ((attr store1 < 8.565 and attr store1 > 8.505 ) and bondedto
      (attr store1 < 121.094  and attr store1 > 120.294 ))
6 0.1 0.1 peak 897 volume 11.08190 ppm1 8.535 ppm2 4.119
 
! ############### n15noe.898 NOT folded
assi (attr store1 < 3.994 and attr store1 > 3.894 ) 
     ((attr store1 < 8.565 and attr store1 > 8.505 ) and bondedto
      (attr store1 < 121.093  and attr store1 > 120.293 ))
6 0.1 0.1 peak 898 volume 16.76856 ppm1 8.535 ppm2 3.944
 
! ############### n15noe.899 NOT folded
assi (attr store1 < 3.917 and attr store1 > 3.817 ) 
     ((attr store1 < 8.565 and attr store1 > 8.505 ) and bondedto
      (attr store1 < 121.12  and attr store1 > 120.32 ))
6 0.1 0.1 peak 899 volume 6.08709 ppm1 8.535 ppm2 3.867
 
! ############### n15noe.900 NOT folded
assi (attr store1 < 3.227 and attr store1 > 3.127 ) 
     ((attr store1 < 8.564 and attr store1 > 8.504 ) and bondedto
      (attr store1 < 121.101  and attr store1 > 120.301 ))
6 0.1 0.1 peak 900 volume 11.01339 ppm1 8.534 ppm2 3.177
 
! ############### n15noe.901 NOT folded
assi (attr store1 < 3.135 and attr store1 > 3.035 ) 
     ((attr store1 < 8.564 and attr store1 > 8.504 ) and bondedto
      (attr store1 < 121.077  and attr store1 > 120.277 ))
6 0.1 0.1 peak 901 volume 9.82385 ppm1 8.534 ppm2 3.085
 
! ############### n15noe.902 NOT folded
assi (attr store1 < 2.981 and attr store1 > 2.881 ) 
     ((attr store1 < 8.562 and attr store1 > 8.502 ) and bondedto
      (attr store1 < 121.083  and attr store1 > 120.283 ))
6 0.1 0.1 peak 902 volume 3.53768 ppm1 8.532 ppm2 2.931
 
! ############### n15noe.903 NOT folded
assi (attr store1 < 2.542 and attr store1 > 2.442 ) 
     ((attr store1 < 8.564 and attr store1 > 8.504 ) and bondedto
      (attr store1 < 121.064  and attr store1 > 120.264 ))
6 0.1 0.1 peak 903 volume 15.61512 ppm1 8.534 ppm2 2.492
 
! ############### n15noe.904 NOT folded
assi (attr store1 < 2.257 and attr store1 > 2.157 ) 
     ((attr store1 < 8.564 and attr store1 > 8.504 ) and bondedto
      (attr store1 < 121.087  and attr store1 > 120.287 ))
6 0.1 0.1 peak 904 volume 25.13058 ppm1 8.534 ppm2 2.207
 
! ############### n15noe.905 NOT folded
assi (attr store1 < 2.189 and attr store1 > 2.089 ) 
     ((attr store1 < 8.563 and attr store1 > 8.503 ) and bondedto
      (attr store1 < 121.09  and attr store1 > 120.29 ))
6 0.1 0.1 peak 905 volume 21.24333 ppm1 8.533 ppm2 2.139
 
! ############### n15noe.906 NOT folded
assi (attr store1 < 1.018 and attr store1 > 0.918 ) 
     ((attr store1 < 8.565 and attr store1 > 8.505 ) and bondedto
      (attr store1 < 121.109  and attr store1 > 120.309 ))
6 0.1 0.1 peak 906 volume 5.96065 ppm1 8.535 ppm2 0.968
 
! ############### n15noe.907 NOT folded
assi (attr store1 < 0.933 and attr store1 > 0.833 ) 
     ((attr store1 < 8.565 and attr store1 > 8.505 ) and bondedto
      (attr store1 < 121.066  and attr store1 > 120.266 ))
6 0.1 0.1 peak 907 volume 3.66276 ppm1 8.535 ppm2 0.883
 
! ############### n15noe.908 NOT folded
assi (attr store1 < 4.114 and attr store1 > 4.014 ) 
     ((attr store1 < 8.559 and attr store1 > 8.499 ) and bondedto
      (attr store1 < 121.075  and attr store1 > 120.275 ))
6 0.1 0.1 peak 908 volume 5.29873 ppm1 8.529 ppm2 4.064
 
! ############### n15noe.909 NOT folded
assi (attr store1 < 2.108 and attr store1 > 2.008 ) 
     ((attr store1 < 8.559 and attr store1 > 8.499 ) and bondedto
      (attr store1 < 121.101  and attr store1 > 120.301 ))
6 0.1 0.1 peak 909 volume 5.37778 ppm1 8.529 ppm2 2.058
 
! ############### n15noe.910 NOT folded
assi (attr store1 < 1.129 and attr store1 > 1.029 ) 
     ((attr store1 < 8.559 and attr store1 > 8.499 ) and bondedto
      (attr store1 < 121.11  and attr store1 > 120.31 ))
6 0.1 0.1 peak 910 volume 3.71388 ppm1 8.529 ppm2 1.079
 
! ############### n15noe.911 NOT folded
assi (attr store1 < 4.748 and attr store1 > 4.648 ) 
     ((attr store1 < 8.124 and attr store1 > 8.064 ) and bondedto
      (attr store1 < 121.068  and attr store1 > 120.268 ))
6 0.1 0.1 peak 911 volume 33.95527 ppm1 8.094 ppm2 4.698
 
! ############### n15noe.912 NOT folded
assi (attr store1 < 1.549 and attr store1 > 1.449 ) 
     ((attr store1 < 7.842 and attr store1 > 7.782 ) and bondedto
      (attr store1 < 121.078  and attr store1 > 120.278 ))
6 0.1 0.1 peak 912 volume 6.71301 ppm1 7.812 ppm2 1.499
 
! ############### n15noe.913 NOT folded
assi (attr store1 < 2.018 and attr store1 > 1.918 ) 
     ((attr store1 < 7.833 and attr store1 > 7.773 ) and bondedto
      (attr store1 < 121.071  and attr store1 > 120.271 ))
6 0.1 0.1 peak 913 volume 18.77340 ppm1 7.803 ppm2 1.968
 
! ############### n15noe.914 NOT folded
assi (attr store1 < 1.958 and attr store1 > 1.858 ) 
     ((attr store1 < 7.833 and attr store1 > 7.773 ) and bondedto
      (attr store1 < 121.077  and attr store1 > 120.277 ))
6 0.1 0.1 peak 914 volume 19.23750 ppm1 7.803 ppm2 1.908
 
! ############### n15noe.915 NOT folded
assi (attr store1 < 1.886 and attr store1 > 1.786 ) 
     ((attr store1 < 7.833 and attr store1 > 7.773 ) and bondedto
      (attr store1 < 121.09  and attr store1 > 120.29 ))
6 0.1 0.1 peak 915 volume 9.93459 ppm1 7.803 ppm2 1.836
 
! ############### n15noe.916 NOT folded
assi (attr store1 < 1.741 and attr store1 > 1.641 ) 
     ((attr store1 < 7.833 and attr store1 > 7.773 ) and bondedto
      (attr store1 < 121.114  and attr store1 > 120.314 ))
6 0.1 0.1 peak 916 volume 19.86445 ppm1 7.803 ppm2 1.691
 
! ############### n15noe.917 NOT folded
assi (attr store1 < 1.563 and attr store1 > 1.463 ) 
     ((attr store1 < 7.832 and attr store1 > 7.772 ) and bondedto
      (attr store1 < 121.114  and attr store1 > 120.314 ))
6 0.1 0.1 peak 917 volume 8.29976 ppm1 7.802 ppm2 1.513
 
! ############### n15noe.918 NOT folded
assi (attr store1 < 8.093 and attr store1 > 7.993 ) 
     ((attr store1 < 7.828 and attr store1 > 7.768 ) and bondedto
      (attr store1 < 121.077  and attr store1 > 120.277 ))
6 0.1 0.1 peak 918 volume 17.85367 ppm1 7.798 ppm2 8.043
 
! ############### n15noe.919 NOT folded
assi (attr store1 < 4.409 and attr store1 > 4.309 ) 
     ((attr store1 < 7.823 and attr store1 > 7.763 ) and bondedto
      (attr store1 < 121.078  and attr store1 > 120.278 ))
6 0.1 0.1 peak 919 volume 18.51986 ppm1 7.793 ppm2 4.359
 
! ############### n15noe.920 NOT folded
assi (attr store1 < 1.545 and attr store1 > 1.445 ) 
     ((attr store1 < 7.824 and attr store1 > 7.764 ) and bondedto
      (attr store1 < 121.095  and attr store1 > 120.295 ))
6 0.1 0.1 peak 920 volume 8.21904 ppm1 7.794 ppm2 1.495
 
! ############### n15noe.921 NOT folded
assi (attr store1 < 2.286 and attr store1 > 2.186 ) 
     ((attr store1 < 8.261 and attr store1 > 8.201 ) and bondedto
      (attr store1 < 120.999  and attr store1 > 120.199 ))
6 0.1 0.1 peak 921 volume 4.50036 ppm1 8.231 ppm2 2.236
 
! ############### n15noe.922 NOT folded
assi (attr store1 < 2.295 and attr store1 > 2.195 ) 
     ((attr store1 < 8.221 and attr store1 > 8.161 ) and bondedto
      (attr store1 < 120.974  and attr store1 > 120.174 ))
6 0.1 0.1 peak 922 volume 15.21121 ppm1 8.191 ppm2 2.245
 
! ############### n15noe.923 NOT folded
assi (attr store1 < 4.001 and attr store1 > 3.901 ) 
     ((attr store1 < 8.217 and attr store1 > 8.157 ) and bondedto
      (attr store1 < 120.967  and attr store1 > 120.167 ))
6 0.1 0.1 peak 923 volume 4.71314 ppm1 8.187 ppm2 3.951
 
! ############### n15noe.924 NOT folded
assi (attr store1 < 2.453 and attr store1 > 2.353 ) 
     ((attr store1 < 8.217 and attr store1 > 8.157 ) and bondedto
      (attr store1 < 120.978  and attr store1 > 120.178 ))
6 0.1 0.1 peak 924 volume 5.26669 ppm1 8.187 ppm2 2.403
 
! ############### n15noe.925 NOT folded
assi (attr store1 < 7.95 and attr store1 > 7.85 ) 
     ((attr store1 < 8.214 and attr store1 > 8.154 ) and bondedto
      (attr store1 < 121.01  and attr store1 > 120.21 ))
6 0.1 0.1 peak 925 volume 4.97300 ppm1 8.184 ppm2 7.900
 
! ############### n15noe.926 NOT folded
assi (attr store1 < 4.214 and attr store1 > 4.114 ) 
     ((attr store1 < 8.215 and attr store1 > 8.155 ) and bondedto
      (attr store1 < 120.981  and attr store1 > 120.181 ))
6 0.1 0.1 peak 926 volume 8.01394 ppm1 8.185 ppm2 4.164
 
! ############### n15noe.927 NOT folded
assi (attr store1 < 3.838 and attr store1 > 3.738 ) 
     ((attr store1 < 8.215 and attr store1 > 8.155 ) and bondedto
      (attr store1 < 120.988  and attr store1 > 120.188 ))
6 0.1 0.1 peak 927 volume 7.74374 ppm1 8.185 ppm2 3.788
 
! ############### n15noe.928 NOT folded
assi (attr store1 < 3.658 and attr store1 > 3.558 ) 
     ((attr store1 < 8.213 and attr store1 > 8.153 ) and bondedto
      (attr store1 < 120.981  and attr store1 > 120.181 ))
6 0.1 0.1 peak 928 volume 6.68243 ppm1 8.183 ppm2 3.608
 
! ############### n15noe.929 NOT folded
assi (attr store1 < 2.667 and attr store1 > 2.567 ) 
     ((attr store1 < 8.213 and attr store1 > 8.153 ) and bondedto
      (attr store1 < 120.971  and attr store1 > 120.171 ))
6 0.1 0.1 peak 929 volume 6.27851 ppm1 8.183 ppm2 2.617
 
! ############### n15noe.930 NOT folded
assi (attr store1 < 2.301 and attr store1 > 2.201 ) 
     ((attr store1 < 8.212 and attr store1 > 8.152 ) and bondedto
      (attr store1 < 120.979  and attr store1 > 120.179 ))
6 0.1 0.1 peak 930 volume 16.26315 ppm1 8.182 ppm2 2.251
 
! ############### n15noe.931 NOT folded
assi (attr store1 < 0.932 and attr store1 > 0.832 ) 
     ((attr store1 < 8.209 and attr store1 > 8.149 ) and bondedto
      (attr store1 < 120.989  and attr store1 > 120.189 ))
6 0.1 0.1 peak 931 volume 7.32125 ppm1 8.179 ppm2 0.882
 
! ############### n15noe.932 NOT folded
assi (attr store1 < 2.04 and attr store1 > 1.94 ) 
     ((attr store1 < 8.204 and attr store1 > 8.144 ) and bondedto
      (attr store1 < 120.984  and attr store1 > 120.184 ))
6 0.1 0.1 peak 932 volume 6.40962 ppm1 8.174 ppm2 1.990
 
! ############### n15noe.933 NOT folded
assi (attr store1 < 7.961 and attr store1 > 7.861 ) 
     ((attr store1 < 8.191 and attr store1 > 8.131 ) and bondedto
      (attr store1 < 120.979  and attr store1 > 120.179 ))
6 0.1 0.1 peak 933 volume 5.07536 ppm1 8.161 ppm2 7.911
 
! ############### n15noe.934 NOT folded
assi (attr store1 < 2.67 and attr store1 > 2.57 ) 
     ((attr store1 < 8.187 and attr store1 > 8.127 ) and bondedto
      (attr store1 < 120.987  and attr store1 > 120.187 ))
6 0.1 0.1 peak 934 volume 5.26197 ppm1 8.157 ppm2 2.620
 
! ############### n15noe.935 NOT folded
assi (attr store1 < 8.333 and attr store1 > 8.233 ) 
     ((attr store1 < 8.141 and attr store1 > 8.081 ) and bondedto
      (attr store1 < 121.001  and attr store1 > 120.201 ))
6 0.1 0.1 peak 935 volume 16.63335 ppm1 8.111 ppm2 8.283
 
! ############### n15noe.936 NOT folded
assi (attr store1 < 7.888 and attr store1 > 7.788 ) 
     ((attr store1 < 8.14 and attr store1 > 8.08 ) and bondedto
      (attr store1 < 120.999  and attr store1 > 120.199 ))
6 0.1 0.1 peak 936 volume 6.33347 ppm1 8.110 ppm2 7.838
 
! ############### n15noe.937 NOT folded
assi (attr store1 < 7.815 and attr store1 > 7.715 ) 
     ((attr store1 < 8.14 and attr store1 > 8.08 ) and bondedto
      (attr store1 < 121.008  and attr store1 > 120.208 ))
6 0.1 0.1 peak 937 volume 14.47997 ppm1 8.110 ppm2 7.765
 
! ############### n15noe.938 NOT folded
assi (attr store1 < 1.818 and attr store1 > 1.718 ) 
     ((attr store1 < 8.14 and attr store1 > 8.08 ) and bondedto
      (attr store1 < 120.995  and attr store1 > 120.195 ))
6 0.1 0.1 peak 938 volume 9.08949 ppm1 8.110 ppm2 1.768
 
! ############### n15noe.939 NOT folded
assi (attr store1 < 8.359 and attr store1 > 8.259 ) 
     ((attr store1 < 8.135 and attr store1 > 8.075 ) and bondedto
      (attr store1 < 120.988  and attr store1 > 120.188 ))
6 0.1 0.1 peak 939 volume 17.56266 ppm1 8.105 ppm2 8.309
 
! ############### n15noe.940 NOT folded
assi (attr store1 < 8.217 and attr store1 > 8.117 ) 
     ((attr store1 < 8.134 and attr store1 > 8.074 ) and bondedto
      (attr store1 < 120.967  and attr store1 > 120.167 ))
6 0.1 0.1 peak 940 volume 21.00354 ppm1 8.104 ppm2 8.167
 
! ############### n15noe.941 NOT folded
assi (attr store1 < 6.92 and attr store1 > 6.82 ) 
     ((attr store1 < 8.137 and attr store1 > 8.077 ) and bondedto
      (attr store1 < 120.974  and attr store1 > 120.174 ))
6 0.1 0.1 peak 941 volume 5.49302 ppm1 8.107 ppm2 6.870
 
! ############### n15noe.942 NOT folded
assi (attr store1 < 4.202 and attr store1 > 4.102 ) 
     ((attr store1 < 8.136 and attr store1 > 8.076 ) and bondedto
      (attr store1 < 121.0  and attr store1 > 120.2 ))
6 0.1 0.1 peak 942 volume 9.32907 ppm1 8.106 ppm2 4.152
 
! ############### n15noe.943 NOT folded
assi (attr store1 < 4.131 and attr store1 > 4.031 ) 
     ((attr store1 < 8.136 and attr store1 > 8.076 ) and bondedto
      (attr store1 < 120.997  and attr store1 > 120.197 ))
6 0.1 0.1 peak 943 volume 4.89932 ppm1 8.106 ppm2 4.081
 
! ############### n15noe.944 NOT folded
assi (attr store1 < 4.04 and attr store1 > 3.94 ) 
     ((attr store1 < 8.137 and attr store1 > 8.077 ) and bondedto
      (attr store1 < 120.999  and attr store1 > 120.199 ))
6 0.1 0.1 peak 944 volume 20.05110 ppm1 8.107 ppm2 3.990
 
! ############### n15noe.945 NOT folded
assi (attr store1 < 3.906 and attr store1 > 3.806 ) 
     ((attr store1 < 8.136 and attr store1 > 8.076 ) and bondedto
      (attr store1 < 120.997  and attr store1 > 120.197 ))
6 0.1 0.1 peak 945 volume 7.33248 ppm1 8.106 ppm2 3.856
 
! ############### n15noe.946 NOT folded
assi (attr store1 < 2.863 and attr store1 > 2.763 ) 
     ((attr store1 < 8.137 and attr store1 > 8.077 ) and bondedto
      (attr store1 < 121.024  and attr store1 > 120.224 ))
6 0.1 0.1 peak 946 volume 4.98739 ppm1 8.107 ppm2 2.813
 
! ############### n15noe.947 NOT folded
assi (attr store1 < 2.767 and attr store1 > 2.667 ) 
     ((attr store1 < 8.135 and attr store1 > 8.075 ) and bondedto
      (attr store1 < 120.969  and attr store1 > 120.169 ))
6 0.1 0.1 peak 947 volume 3.68899 ppm1 8.105 ppm2 2.717
 
! ############### n15noe.948 NOT folded
assi (attr store1 < 2.662 and attr store1 > 2.562 ) 
     ((attr store1 < 8.135 and attr store1 > 8.075 ) and bondedto
      (attr store1 < 120.966  and attr store1 > 120.166 ))
6 0.1 0.1 peak 948 volume 9.71565 ppm1 8.105 ppm2 2.612
 
! ############### n15noe.949 NOT folded
assi (attr store1 < 2.104 and attr store1 > 2.004 ) 
     ((attr store1 < 8.136 and attr store1 > 8.076 ) and bondedto
      (attr store1 < 120.988  and attr store1 > 120.188 ))
6 0.1 0.1 peak 949 volume 41.97695 ppm1 8.106 ppm2 2.054
 
! ############### n15noe.950 NOT folded
assi (attr store1 < 1.909 and attr store1 > 1.809 ) 
     ((attr store1 < 8.134 and attr store1 > 8.074 ) and bondedto
      (attr store1 < 120.994  and attr store1 > 120.194 ))
6 0.1 0.1 peak 950 volume 12.64390 ppm1 8.104 ppm2 1.859
 
! ############### n15noe.951 NOT folded
assi (attr store1 < 1.73 and attr store1 > 1.63 ) 
     ((attr store1 < 8.136 and attr store1 > 8.076 ) and bondedto
      (attr store1 < 120.992  and attr store1 > 120.192 ))
6 0.1 0.1 peak 951 volume 14.51529 ppm1 8.106 ppm2 1.680
 
! ############### n15noe.952 NOT folded
assi (attr store1 < 0.96 and attr store1 > 0.86 ) 
     ((attr store1 < 8.135 and attr store1 > 8.075 ) and bondedto
      (attr store1 < 120.997  and attr store1 > 120.197 ))
6 0.1 0.1 peak 952 volume 5.66682 ppm1 8.105 ppm2 0.910
 
! ############### n15noe.953 NOT folded
assi (attr store1 < 4.304 and attr store1 > 4.204 ) 
     ((attr store1 < 8.131 and attr store1 > 8.071 ) and bondedto
      (attr store1 < 120.996  and attr store1 > 120.196 ))
6 0.1 0.1 peak 953 volume 11.53058 ppm1 8.101 ppm2 4.254
 
! ############### n15noe.954 NOT folded
assi (attr store1 < 2.29 and attr store1 > 2.19 ) 
     ((attr store1 < 8.13 and attr store1 > 8.07 ) and bondedto
      (attr store1 < 120.971  and attr store1 > 120.171 ))
6 0.1 0.1 peak 954 volume 7.08208 ppm1 8.100 ppm2 2.240
 
! ############### n15noe.955 NOT folded
assi (attr store1 < 1.584 and attr store1 > 1.484 ) 
     ((attr store1 < 8.13 and attr store1 > 8.07 ) and bondedto
      (attr store1 < 120.987  and attr store1 > 120.187 ))
6 0.1 0.1 peak 955 volume 8.07181 ppm1 8.100 ppm2 1.534
 
! ############### n15noe.956 NOT folded
assi (attr store1 < 0.975 and attr store1 > 0.875 ) 
     ((attr store1 < 8.13 and attr store1 > 8.07 ) and bondedto
      (attr store1 < 120.985  and attr store1 > 120.185 ))
6 0.1 0.1 peak 956 volume 5.54869 ppm1 8.100 ppm2 0.925
 
! ############### n15noe.957 NOT folded
assi (attr store1 < 0.916 and attr store1 > 0.816 ) 
     ((attr store1 < 8.127 and attr store1 > 8.067 ) and bondedto
      (attr store1 < 120.979  and attr store1 > 120.179 ))
6 0.1 0.1 peak 957 volume 4.52877 ppm1 8.097 ppm2 0.866
 
! ############### n15noe.958 NOT folded
assi (attr store1 < 7.91 and attr store1 > 7.81 ) 
     ((attr store1 < 8.125 and attr store1 > 8.065 ) and bondedto
      (attr store1 < 120.983  and attr store1 > 120.183 ))
6 0.1 0.1 peak 958 volume 5.84989 ppm1 8.095 ppm2 7.860
 
! ############### n15noe.959 NOT folded
assi (attr store1 < 2.244 and attr store1 > 2.144 ) 
     ((attr store1 < 8.125 and attr store1 > 8.065 ) and bondedto
      (attr store1 < 120.975  and attr store1 > 120.175 ))
6 0.1 0.1 peak 959 volume 5.66228 ppm1 8.095 ppm2 2.194
 
! ############### n15noe.960 NOT folded
assi (attr store1 < 1.713 and attr store1 > 1.613 ) 
     ((attr store1 < 8.093 and attr store1 > 8.033 ) and bondedto
      (attr store1 < 120.98  and attr store1 > 120.18 ))
6 0.1 0.1 peak 960 volume 4.75104 ppm1 8.063 ppm2 1.663
 
! ############### n15noe.961 NOT folded
assi (attr store1 < 4.156 and attr store1 > 4.056 ) 
     ((attr store1 < 8.076 and attr store1 > 8.016 ) and bondedto
      (attr store1 < 120.969  and attr store1 > 120.169 ))
6 0.1 0.1 peak 961 volume 5.04820 ppm1 8.046 ppm2 4.106
 
! ############### n15noe.962 NOT folded
assi (attr store1 < 2.299 and attr store1 > 2.199 ) 
     ((attr store1 < 8.164 and attr store1 > 8.104 ) and bondedto
      (attr store1 < 120.922  and attr store1 > 120.122 ))
6 0.1 0.1 peak 962 volume 7.87769 ppm1 8.134 ppm2 2.249
 
! ############### n15noe.963 NOT folded
assi (attr store1 < 7.911 and attr store1 > 7.811 ) 
     ((attr store1 < 8.135 and attr store1 > 8.075 ) and bondedto
      (attr store1 < 120.923  and attr store1 > 120.123 ))
6 0.1 0.1 peak 963 volume 5.37111 ppm1 8.105 ppm2 7.861
 
! ############### n15noe.964 NOT folded
assi (attr store1 < 2.462 and attr store1 > 2.362 ) 
     ((attr store1 < 8.131 and attr store1 > 8.071 ) and bondedto
      (attr store1 < 120.898  and attr store1 > 120.098 ))
6 0.1 0.1 peak 964 volume 4.54950 ppm1 8.101 ppm2 2.412
 
! ############### n15noe.965 NOT folded
assi (attr store1 < 2.354 and attr store1 > 2.254 ) 
     ((attr store1 < 8.075 and attr store1 > 8.015 ) and bondedto
      (attr store1 < 120.864  and attr store1 > 120.064 ))
6 0.1 0.1 peak 965 volume 4.47742 ppm1 8.045 ppm2 2.304
 
! ############### n15noe.966 NOT folded
assi (attr store1 < 2.132 and attr store1 > 2.032 ) 
     ((attr store1 < 8.073 and attr store1 > 8.013 ) and bondedto
      (attr store1 < 120.879  and attr store1 > 120.079 ))
6 0.1 0.1 peak 966 volume 23.53899 ppm1 8.043 ppm2 2.082
 
! ############### n15noe.967 NOT folded
assi (attr store1 < 7.94 and attr store1 > 7.84 ) 
     ((attr store1 < 8.07 and attr store1 > 8.01 ) and bondedto
      (attr store1 < 120.885  and attr store1 > 120.085 ))
6 0.1 0.1 peak 967 volume 12.76033 ppm1 8.040 ppm2 7.890
 
! ############### n15noe.968 NOT folded
assi (attr store1 < 4.049 and attr store1 > 3.949 ) 
     ((attr store1 < 8.069 and attr store1 > 8.009 ) and bondedto
      (attr store1 < 120.938  and attr store1 > 120.138 ))
6 0.1 0.1 peak 968 volume 20.62576 ppm1 8.039 ppm2 3.999
 
! ############### n15noe.969 NOT folded
assi (attr store1 < 2.419 and attr store1 > 2.319 ) 
     ((attr store1 < 8.07 and attr store1 > 8.01 ) and bondedto
      (attr store1 < 120.904  and attr store1 > 120.104 ))
6 0.1 0.1 peak 969 volume 7.30882 ppm1 8.040 ppm2 2.369
 
! ############### n15noe.970 NOT folded
assi (attr store1 < 4.129 and attr store1 > 4.029 ) 
     ((attr store1 < 8.064 and attr store1 > 8.004 ) and bondedto
      (attr store1 < 120.882  and attr store1 > 120.082 ))
6 0.1 0.1 peak 970 volume 5.90127 ppm1 8.034 ppm2 4.079
 
! ############### n15noe.971 NOT folded
assi (attr store1 < 2.129 and attr store1 > 2.029 ) 
     ((attr store1 < 8.065 and attr store1 > 8.005 ) and bondedto
      (attr store1 < 120.881  and attr store1 > 120.081 ))
6 0.1 0.1 peak 971 volume 23.99773 ppm1 8.035 ppm2 2.079
 
! ############### n15noe.972 NOT folded
assi (attr store1 < 7.163 and attr store1 > 7.063 ) 
     ((attr store1 < 7.99 and attr store1 > 7.93 ) and bondedto
      (attr store1 < 120.877  and attr store1 > 120.077 ))
6 0.1 0.1 peak 972 volume 3.97846 ppm1 7.960 ppm2 7.113
 
! ############### n15noe.973 NOT folded
assi (attr store1 < 1.498 and attr store1 > 1.398 ) 
     ((attr store1 < 7.985 and attr store1 > 7.925 ) and bondedto
      (attr store1 < 120.858  and attr store1 > 120.058 ))
6 0.1 0.1 peak 973 volume 9.60631 ppm1 7.955 ppm2 1.448
 
! ############### n15noe.974 NOT folded
assi (attr store1 < 7.381 and attr store1 > 7.281 ) 
     ((attr store1 < 7.979 and attr store1 > 7.919 ) and bondedto
      (attr store1 < 120.861  and attr store1 > 120.061 ))
6 0.1 0.1 peak 974 volume 6.45956 ppm1 7.949 ppm2 7.331
 
! ############### n15noe.975 NOT folded
assi (attr store1 < 6.732 and attr store1 > 6.632 ) 
     ((attr store1 < 7.983 and attr store1 > 7.923 ) and bondedto
      (attr store1 < 120.886  and attr store1 > 120.086 ))
6 0.1 0.1 peak 975 volume 4.17502 ppm1 7.953 ppm2 6.682
 
! ############### n15noe.976 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 7.98 and attr store1 > 7.92 ) and bondedto
      (attr store1 < 120.865  and attr store1 > 120.065 ))
6 0.1 0.1 peak 976 volume 258.86975 ppm1 7.950 ppm2 4.687
 
! ############### n15noe.977 NOT folded
assi (attr store1 < 4.322 and attr store1 > 4.222 ) 
     ((attr store1 < 7.98 and attr store1 > 7.92 ) and bondedto
      (attr store1 < 120.852  and attr store1 > 120.052 ))
6 0.1 0.1 peak 977 volume 31.96032 ppm1 7.950 ppm2 4.272
 
! ############### n15noe.978 NOT folded
assi (attr store1 < 1.247 and attr store1 > 1.147 ) 
     ((attr store1 < 7.981 and attr store1 > 7.921 ) and bondedto
      (attr store1 < 120.869  and attr store1 > 120.069 ))
6 0.1 0.1 peak 978 volume 12.71158 ppm1 7.951 ppm2 1.197
 
! ############### n15noe.979 NOT folded
assi (attr store1 < 4.021 and attr store1 > 3.921 ) 
     ((attr store1 < 7.979 and attr store1 > 7.919 ) and bondedto
      (attr store1 < 120.86  and attr store1 > 120.06 ))
6 0.1 0.1 peak 979 volume 45.41464 ppm1 7.949 ppm2 3.971
 
! ############### n15noe.980 NOT folded
assi (attr store1 < 1.988 and attr store1 > 1.888 ) 
     ((attr store1 < 8.811 and attr store1 > 8.751 ) and bondedto
      (attr store1 < 120.783  and attr store1 > 119.983 ))
6 0.1 0.1 peak 980 volume 4.37304 ppm1 8.781 ppm2 1.938
 
! ############### n15noe.981 NOT folded
assi (attr store1 < 1.81 and attr store1 > 1.71 ) 
     ((attr store1 < 8.753 and attr store1 > 8.693 ) and bondedto
      (attr store1 < 120.796  and attr store1 > 119.996 ))
6 0.1 0.1 peak 981 volume 9.22368 ppm1 8.723 ppm2 1.760
 
! ############### n15noe.982 NOT folded
assi (attr store1 < 1.746 and attr store1 > 1.646 ) 
     ((attr store1 < 8.751 and attr store1 > 8.691 ) and bondedto
      (attr store1 < 120.771  and attr store1 > 119.971 ))
6 0.1 0.1 peak 982 volume 6.33496 ppm1 8.721 ppm2 1.696
 
! ############### n15noe.983 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 8.432 and attr store1 > 8.372 ) and bondedto
      (attr store1 < 120.819  and attr store1 > 120.019 ))
6 0.1 0.1 peak 983 volume 317.78137 ppm1 8.402 ppm2 4.688
 
! ############### n15noe.984 NOT folded
assi (attr store1 < 4.647 and attr store1 > 4.547 ) 
     ((attr store1 < 8.433 and attr store1 > 8.373 ) and bondedto
      (attr store1 < 120.802  and attr store1 > 120.002 ))
6 0.1 0.1 peak 984 volume 8.47831 ppm1 8.403 ppm2 4.597
 
! ############### n15noe.985 NOT folded
assi (attr store1 < 4.564 and attr store1 > 4.464 ) 
     ((attr store1 < 8.431 and attr store1 > 8.371 ) and bondedto
      (attr store1 < 120.817  and attr store1 > 120.017 ))
6 0.1 0.1 peak 985 volume 13.76962 ppm1 8.401 ppm2 4.514
 
! ############### n15noe.986 NOT folded
assi (attr store1 < 3.947 and attr store1 > 3.847 ) 
     ((attr store1 < 8.43 and attr store1 > 8.37 ) and bondedto
      (attr store1 < 120.791  and attr store1 > 119.991 ))
6 0.1 0.1 peak 986 volume 6.08355 ppm1 8.400 ppm2 3.897
 
! ############### n15noe.987 NOT folded
assi (attr store1 < 4.32 and attr store1 > 4.22 ) 
     ((attr store1 < 8.429 and attr store1 > 8.369 ) and bondedto
      (attr store1 < 120.792  and attr store1 > 119.992 ))
6 0.1 0.1 peak 987 volume 18.14613 ppm1 8.399 ppm2 4.270
 
! ############### n15noe.988 NOT folded
assi (attr store1 < 2.005 and attr store1 > 1.905 ) 
     ((attr store1 < 8.302 and attr store1 > 8.242 ) and bondedto
      (attr store1 < 120.783  and attr store1 > 119.983 ))
6 0.1 0.1 peak 988 volume 3.59577 ppm1 8.272 ppm2 1.955
 
! ############### n15noe.989 NOT folded
assi (attr store1 < 4.72 and attr store1 > 4.62 ) 
     ((attr store1 < 8.125 and attr store1 > 8.065 ) and bondedto
      (attr store1 < 120.833  and attr store1 > 120.033 ))
6 0.1 0.1 peak 989 volume 33.51861 ppm1 8.095 ppm2 4.670
 
! ############### n15noe.990 NOT folded
assi (attr store1 < 2.274 and attr store1 > 2.174 ) 
     ((attr store1 < 8.073 and attr store1 > 8.013 ) and bondedto
      (attr store1 < 120.842  and attr store1 > 120.042 ))
6 0.1 0.1 peak 990 volume 11.46704 ppm1 8.043 ppm2 2.224
 
! ############### n15noe.991 NOT folded
assi (attr store1 < 4.887 and attr store1 > 4.787 ) 
     ((attr store1 < 7.991 and attr store1 > 7.931 ) and bondedto
      (attr store1 < 120.818  and attr store1 > 120.018 ))
6 0.1 0.1 peak 991 volume 6.37607 ppm1 7.961 ppm2 4.837
 
! ############### n15noe.992 NOT folded
assi (attr store1 < 3.086 and attr store1 > 2.986 ) 
     ((attr store1 < 7.992 and attr store1 > 7.932 ) and bondedto
      (attr store1 < 120.801  and attr store1 > 120.001 ))
6 0.1 0.1 peak 992 volume 25.74284 ppm1 7.962 ppm2 3.036
 
! ############### n15noe.993 NOT folded
assi (attr store1 < 2.604 and attr store1 > 2.504 ) 
     ((attr store1 < 7.992 and attr store1 > 7.932 ) and bondedto
      (attr store1 < 120.802  and attr store1 > 120.002 ))
6 0.1 0.1 peak 993 volume 26.81467 ppm1 7.962 ppm2 2.554
 
! ############### n15noe.994 NOT folded
assi (attr store1 < 8.641 and attr store1 > 8.541 ) 
     ((attr store1 < 7.988 and attr store1 > 7.928 ) and bondedto
      (attr store1 < 120.799  and attr store1 > 119.999 ))
6 0.1 0.1 peak 994 volume 18.90213 ppm1 7.958 ppm2 8.591
 
! ############### n15noe.995 NOT folded
assi (attr store1 < 7.904 and attr store1 > 7.804 ) 
     ((attr store1 < 7.986 and attr store1 > 7.926 ) and bondedto
      (attr store1 < 120.813  and attr store1 > 120.013 ))
6 0.1 0.1 peak 995 volume 16.21724 ppm1 7.956 ppm2 7.854
 
! ############### n15noe.996 NOT folded
assi (attr store1 < 4.809 and attr store1 > 4.709 ) 
     ((attr store1 < 7.989 and attr store1 > 7.929 ) and bondedto
      (attr store1 < 120.813  and attr store1 > 120.013 ))
6 0.1 0.1 peak 996 volume 29.81812 ppm1 7.959 ppm2 4.759
 
! ############### n15noe.997 NOT folded
assi (attr store1 < 4.17 and attr store1 > 4.07 ) 
     ((attr store1 < 7.985 and attr store1 > 7.925 ) and bondedto
      (attr store1 < 120.793  and attr store1 > 119.993 ))
6 0.1 0.1 peak 997 volume 6.08083 ppm1 7.955 ppm2 4.120
 
! ############### n15noe.998 NOT folded
assi (attr store1 < 3.882 and attr store1 > 3.782 ) 
     ((attr store1 < 7.985 and attr store1 > 7.925 ) and bondedto
      (attr store1 < 120.788  and attr store1 > 119.988 ))
6 0.1 0.1 peak 998 volume 5.85344 ppm1 7.955 ppm2 3.832
 
! ############### n15noe.999 NOT folded
assi (attr store1 < 2.996 and attr store1 > 2.896 ) 
     ((attr store1 < 7.989 and attr store1 > 7.929 ) and bondedto
      (attr store1 < 120.796  and attr store1 > 119.996 ))
6 0.1 0.1 peak 999 volume 13.43407 ppm1 7.959 ppm2 2.946
 
! ############### n15noe.1000 NOT folded
assi (attr store1 < 2.913 and attr store1 > 2.813 ) 
     ((attr store1 < 7.987 and attr store1 > 7.927 ) and bondedto
      (attr store1 < 120.806  and attr store1 > 120.006 ))
6 0.1 0.1 peak 1000 volume 4.11998 ppm1 7.957 ppm2 2.863
 
! ############### n15noe.1001 NOT folded
assi (attr store1 < 2.827 and attr store1 > 2.727 ) 
     ((attr store1 < 7.99 and attr store1 > 7.93 ) and bondedto
      (attr store1 < 120.784  and attr store1 > 119.984 ))
6 0.1 0.1 peak 1001 volume 8.72241 ppm1 7.960 ppm2 2.777
 
! ############### n15noe.1002 NOT folded
assi (attr store1 < 1.726 and attr store1 > 1.626 ) 
     ((attr store1 < 7.989 and attr store1 > 7.929 ) and bondedto
      (attr store1 < 120.832  and attr store1 > 120.032 ))
6 0.1 0.1 peak 1002 volume 7.34344 ppm1 7.959 ppm2 1.676
 
! ############### n15noe.1003 NOT folded
assi (attr store1 < 1.591 and attr store1 > 1.491 ) 
     ((attr store1 < 7.986 and attr store1 > 7.926 ) and bondedto
      (attr store1 < 120.769  and attr store1 > 119.969 ))
6 0.1 0.1 peak 1003 volume 16.46270 ppm1 7.956 ppm2 1.541
 
! ############### n15noe.1004 NOT folded
assi (attr store1 < 1.003 and attr store1 > 0.903 ) 
     ((attr store1 < 7.984 and attr store1 > 7.924 ) and bondedto
      (attr store1 < 120.768  and attr store1 > 119.968 ))
6 0.1 0.1 peak 1004 volume 22.44716 ppm1 7.954 ppm2 0.953
 
! ############### n15noe.1005 NOT folded
assi (attr store1 < 8.475 and attr store1 > 8.375 ) 
     ((attr store1 < 7.984 and attr store1 > 7.924 ) and bondedto
      (attr store1 < 120.764  and attr store1 > 119.964 ))
6 0.1 0.1 peak 1005 volume 15.93030 ppm1 7.954 ppm2 8.425
 
! ############### n15noe.1006 NOT folded
assi (attr store1 < 7.775 and attr store1 > 7.675 ) 
     ((attr store1 < 7.982 and attr store1 > 7.922 ) and bondedto
      (attr store1 < 120.83  and attr store1 > 120.03 ))
6 0.1 0.1 peak 1006 volume 7.94374 ppm1 7.952 ppm2 7.725
 
! ############### n15noe.1007 NOT folded
assi (attr store1 < 2.222 and attr store1 > 2.122 ) 
     ((attr store1 < 7.984 and attr store1 > 7.924 ) and bondedto
      (attr store1 < 120.779  and attr store1 > 119.979 ))
6 0.1 0.1 peak 1007 volume 17.19543 ppm1 7.954 ppm2 2.172
 
! ############### n15noe.1008 NOT folded
assi (attr store1 < 1.93 and attr store1 > 1.83 ) 
     ((attr store1 < 7.982 and attr store1 > 7.922 ) and bondedto
      (attr store1 < 120.801  and attr store1 > 120.001 ))
6 0.1 0.1 peak 1008 volume 27.05119 ppm1 7.952 ppm2 1.880
 
! ############### n15noe.1009 NOT folded
assi (attr store1 < 1.508 and attr store1 > 1.408 ) 
     ((attr store1 < 7.977 and attr store1 > 7.917 ) and bondedto
      (attr store1 < 120.832  and attr store1 > 120.032 ))
6 0.1 0.1 peak 1009 volume 10.82627 ppm1 7.947 ppm2 1.458
 
! ############### n15noe.1010 NOT folded
assi (attr store1 < 4.74 and attr store1 > 4.64 ) 
     ((attr store1 < 7.934 and attr store1 > 7.874 ) and bondedto
      (attr store1 < 120.781  and attr store1 > 119.981 ))
6 0.1 0.1 peak 1010 volume 20.15317 ppm1 7.904 ppm2 4.690
 
! ############### n15noe.1011 NOT folded
assi (attr store1 < 4.341 and attr store1 > 4.241 ) 
     ((attr store1 < 7.868 and attr store1 > 7.808 ) and bondedto
      (attr store1 < 120.777  and attr store1 > 119.977 ))
6 0.1 0.1 peak 1011 volume 7.76750 ppm1 7.838 ppm2 4.291
 
! ############### n15noe.1012 NOT folded
assi (attr store1 < 4.133 and attr store1 > 4.033 ) 
     ((attr store1 < 7.784 and attr store1 > 7.724 ) and bondedto
      (attr store1 < 120.838  and attr store1 > 120.038 ))
6 0.1 0.1 peak 1012 volume 4.31923 ppm1 7.754 ppm2 4.083
 
! ############### n15noe.1013 NOT folded
assi (attr store1 < 7.745 and attr store1 > 7.645 ) 
     ((attr store1 < 8.755 and attr store1 > 8.695 ) and bondedto
      (attr store1 < 120.738  and attr store1 > 119.938 ))
6 0.1 0.1 peak 1013 volume 9.82612 ppm1 8.725 ppm2 7.695
 
! ############### n15noe.1014 NOT folded
assi (attr store1 < 2.168 and attr store1 > 2.068 ) 
     ((attr store1 < 8.756 and attr store1 > 8.696 ) and bondedto
      (attr store1 < 120.694  and attr store1 > 119.894 ))
6 0.1 0.1 peak 1014 volume 4.56482 ppm1 8.726 ppm2 2.118
 
! ############### n15noe.1015 NOT folded
assi (attr store1 < 8.278 and attr store1 > 8.178 ) 
     ((attr store1 < 8.753 and attr store1 > 8.693 ) and bondedto
      (attr store1 < 120.744  and attr store1 > 119.944 ))
6 0.1 0.1 peak 1015 volume 15.06430 ppm1 8.723 ppm2 8.228
 
! ############### n15noe.1016 NOT folded
assi (attr store1 < 4.736 and attr store1 > 4.636 ) 
     ((attr store1 < 8.753 and attr store1 > 8.693 ) and bondedto
      (attr store1 < 120.727  and attr store1 > 119.927 ))
6 0.1 0.1 peak 1016 volume 37.48963 ppm1 8.723 ppm2 4.686
 
! ############### n15noe.1017 NOT folded
assi (attr store1 < 4.267 and attr store1 > 4.167 ) 
     ((attr store1 < 8.753 and attr store1 > 8.693 ) and bondedto
      (attr store1 < 120.731  and attr store1 > 119.931 ))
6 0.1 0.1 peak 1017 volume 19.79886 ppm1 8.723 ppm2 4.217
 
! ############### n15noe.1018 NOT folded
assi (attr store1 < 3.32 and attr store1 > 3.22 ) 
     ((attr store1 < 8.75 and attr store1 > 8.69 ) and bondedto
      (attr store1 < 120.716  and attr store1 > 119.916 ))
6 0.1 0.1 peak 1018 volume 9.35435 ppm1 8.720 ppm2 3.270
 
! ############### n15noe.1019 NOT folded
assi (attr store1 < 2.01 and attr store1 > 1.91 ) 
     ((attr store1 < 8.753 and attr store1 > 8.693 ) and bondedto
      (attr store1 < 120.734  and attr store1 > 119.934 ))
6 0.1 0.1 peak 1019 volume 40.74151 ppm1 8.723 ppm2 1.960
 
! ############### n15noe.1020 NOT folded
assi (attr store1 < 8.569 and attr store1 > 8.469 ) 
     ((attr store1 < 7.986 and attr store1 > 7.926 ) and bondedto
      (attr store1 < 120.744  and attr store1 > 119.944 ))
6 0.1 0.1 peak 1020 volume 15.63755 ppm1 7.956 ppm2 8.519
 
! ############### n15noe.1021 NOT folded
assi (attr store1 < 2.376 and attr store1 > 2.276 ) 
     ((attr store1 < 7.988 and attr store1 > 7.928 ) and bondedto
      (attr store1 < 120.74  and attr store1 > 119.94 ))
6 0.1 0.1 peak 1021 volume 8.44552 ppm1 7.958 ppm2 2.326
 
! ############### n15noe.1022 NOT folded
assi (attr store1 < 2.082 and attr store1 > 1.982 ) 
     ((attr store1 < 7.984 and attr store1 > 7.924 ) and bondedto
      (attr store1 < 120.738  and attr store1 > 119.938 ))
6 0.1 0.1 peak 1022 volume 11.45251 ppm1 7.954 ppm2 2.032
 
! ############### n15noe.1023 NOT folded
assi (attr store1 < 4.025 and attr store1 > 3.925 ) 
     ((attr store1 < 7.933 and attr store1 > 7.873 ) and bondedto
      (attr store1 < 120.747  and attr store1 > 119.947 ))
6 0.1 0.1 peak 1023 volume 5.74644 ppm1 7.903 ppm2 3.975
 
! ############### n15noe.1024 NOT folded
assi (attr store1 < 4.422 and attr store1 > 4.322 ) 
     ((attr store1 < 7.856 and attr store1 > 7.796 ) and bondedto
      (attr store1 < 120.688  and attr store1 > 119.888 ))
6 0.1 0.1 peak 1024 volume 4.45580 ppm1 7.826 ppm2 4.372
 
! ############### n15noe.1025 NOT folded
assi (attr store1 < 4.338 and attr store1 > 4.238 ) 
     ((attr store1 < 7.856 and attr store1 > 7.796 ) and bondedto
      (attr store1 < 120.677  and attr store1 > 119.877 ))
6 0.1 0.1 peak 1025 volume 8.74578 ppm1 7.826 ppm2 4.288
 
! ############### n15noe.1026 NOT folded
assi (attr store1 < 4.243 and attr store1 > 4.143 ) 
     ((attr store1 < 7.853 and attr store1 > 7.793 ) and bondedto
      (attr store1 < 120.702  and attr store1 > 119.902 ))
6 0.1 0.1 peak 1026 volume 59.49208 ppm1 7.823 ppm2 4.193
 
! ############### n15noe.1027 NOT folded
assi (attr store1 < 3.035 and attr store1 > 2.935 ) 
     ((attr store1 < 7.856 and attr store1 > 7.796 ) and bondedto
      (attr store1 < 120.675  and attr store1 > 119.875 ))
6 0.1 0.1 peak 1027 volume 6.46370 ppm1 7.826 ppm2 2.985
 
! ############### n15noe.1028 NOT folded
assi (attr store1 < 2.508 and attr store1 > 2.408 ) 
     ((attr store1 < 7.855 and attr store1 > 7.795 ) and bondedto
      (attr store1 < 120.698  and attr store1 > 119.898 ))
6 0.1 0.1 peak 1028 volume 5.37939 ppm1 7.825 ppm2 2.458
 
! ############### n15noe.1029 NOT folded
assi (attr store1 < 2.061 and attr store1 > 1.961 ) 
     ((attr store1 < 7.855 and attr store1 > 7.795 ) and bondedto
      (attr store1 < 120.684  and attr store1 > 119.884 ))
6 0.1 0.1 peak 1029 volume 76.40322 ppm1 7.825 ppm2 2.011
 
! ############### n15noe.1030 NOT folded
assi (attr store1 < 1.976 and attr store1 > 1.876 ) 
     ((attr store1 < 7.855 and attr store1 > 7.795 ) and bondedto
      (attr store1 < 120.695  and attr store1 > 119.895 ))
6 0.1 0.1 peak 1030 volume 41.58482 ppm1 7.825 ppm2 1.926
 
! ############### n15noe.1031 NOT folded
assi (attr store1 < 1.528 and attr store1 > 1.428 ) 
     ((attr store1 < 7.856 and attr store1 > 7.796 ) and bondedto
      (attr store1 < 120.665  and attr store1 > 119.865 ))
6 0.1 0.1 peak 1031 volume 11.70468 ppm1 7.826 ppm2 1.478
 
! ############### n15noe.1032 NOT folded
assi (attr store1 < 1.36 and attr store1 > 1.26 ) 
     ((attr store1 < 7.855 and attr store1 > 7.795 ) and bondedto
      (attr store1 < 120.68  and attr store1 > 119.88 ))
6 0.1 0.1 peak 1032 volume 5.34476 ppm1 7.825 ppm2 1.310
 
! ############### n15noe.1033 NOT folded
assi (attr store1 < 4.74 and attr store1 > 4.64 ) 
     ((attr store1 < 7.85 and attr store1 > 7.79 ) and bondedto
      (attr store1 < 120.723  and attr store1 > 119.923 ))
6 0.1 0.1 peak 1033 volume 5.16766 ppm1 7.820 ppm2 4.690
 
! ############### n15noe.1034 NOT folded
assi (attr store1 < 4.445 and attr store1 > 4.345 ) 
     ((attr store1 < 7.849 and attr store1 > 7.789 ) and bondedto
      (attr store1 < 120.702  and attr store1 > 119.902 ))
6 0.1 0.1 peak 1034 volume 4.82852 ppm1 7.819 ppm2 4.395
 
! ############### n15noe.1035 NOT folded
assi (attr store1 < 4.159 and attr store1 > 4.059 ) 
     ((attr store1 < 7.848 and attr store1 > 7.788 ) and bondedto
      (attr store1 < 120.694  and attr store1 > 119.894 ))
6 0.1 0.1 peak 1035 volume 27.41464 ppm1 7.818 ppm2 4.109
 
! ############### n15noe.1036 NOT folded
assi (attr store1 < 2.814 and attr store1 > 2.714 ) 
     ((attr store1 < 7.85 and attr store1 > 7.79 ) and bondedto
      (attr store1 < 120.688  and attr store1 > 119.888 ))
6 0.1 0.1 peak 1036 volume 5.22449 ppm1 7.820 ppm2 2.764
 
! ############### n15noe.1037 NOT folded
assi (attr store1 < 0.987 and attr store1 > 0.887 ) 
     ((attr store1 < 7.848 and attr store1 > 7.788 ) and bondedto
      (attr store1 < 120.681  and attr store1 > 119.881 ))
6 0.1 0.1 peak 1037 volume 29.38593 ppm1 7.818 ppm2 0.937
 
! ############### n15noe.1038 NOT folded
assi (attr store1 < 8.708 and attr store1 > 8.608 ) 
     ((attr store1 < 7.842 and attr store1 > 7.782 ) and bondedto
      (attr store1 < 120.699  and attr store1 > 119.899 ))
6 0.1 0.1 peak 1038 volume 15.49574 ppm1 7.812 ppm2 8.658
 
! ############### n15noe.1039 NOT folded
assi (attr store1 < 2.706 and attr store1 > 2.606 ) 
     ((attr store1 < 7.845 and attr store1 > 7.785 ) and bondedto
      (attr store1 < 120.707  and attr store1 > 119.907 ))
6 0.1 0.1 peak 1039 volume 5.62752 ppm1 7.815 ppm2 2.656
 
! ############### n15noe.1040 NOT folded
assi (attr store1 < 1.977 and attr store1 > 1.877 ) 
     ((attr store1 < 7.843 and attr store1 > 7.783 ) and bondedto
      (attr store1 < 120.694  and attr store1 > 119.894 ))
6 0.1 0.1 peak 1040 volume 46.91408 ppm1 7.813 ppm2 1.927
 
! ############### n15noe.1041 NOT folded
assi (attr store1 < 1.902 and attr store1 > 1.802 ) 
     ((attr store1 < 7.842 and attr store1 > 7.782 ) and bondedto
      (attr store1 < 120.688  and attr store1 > 119.888 ))
6 0.1 0.1 peak 1041 volume 35.87661 ppm1 7.812 ppm2 1.852
 
! ############### n15noe.1042 NOT folded
assi (attr store1 < 1.739 and attr store1 > 1.639 ) 
     ((attr store1 < 7.844 and attr store1 > 7.784 ) and bondedto
      (attr store1 < 120.661  and attr store1 > 119.861 ))
6 0.1 0.1 peak 1042 volume 42.92357 ppm1 7.814 ppm2 1.689
 
! ############### n15noe.1043 NOT folded
assi (attr store1 < 4.341 and attr store1 > 4.241 ) 
     ((attr store1 < 7.84 and attr store1 > 7.78 ) and bondedto
      (attr store1 < 120.671  and attr store1 > 119.871 ))
6 0.1 0.1 peak 1043 volume 9.40693 ppm1 7.810 ppm2 4.291
 
! ############### n15noe.1044 NOT folded
assi (attr store1 < 2.604 and attr store1 > 2.504 ) 
     ((attr store1 < 7.841 and attr store1 > 7.781 ) and bondedto
      (attr store1 < 120.701  and attr store1 > 119.901 ))
6 0.1 0.1 peak 1044 volume 6.01524 ppm1 7.811 ppm2 2.554
 
! ############### n15noe.1045 NOT folded
assi (attr store1 < 2.54 and attr store1 > 2.44 ) 
     ((attr store1 < 7.84 and attr store1 > 7.78 ) and bondedto
      (attr store1 < 120.682  and attr store1 > 119.882 ))
6 0.1 0.1 peak 1045 volume 5.70948 ppm1 7.810 ppm2 2.490
 
! ############### n15noe.1046 NOT folded
assi (attr store1 < 0.991 and attr store1 > 0.891 ) 
     ((attr store1 < 7.84 and attr store1 > 7.78 ) and bondedto
      (attr store1 < 120.681  and attr store1 > 119.881 ))
6 0.1 0.1 peak 1046 volume 29.54373 ppm1 7.810 ppm2 0.941
 
! ############### n15noe.1047 NOT folded
assi (attr store1 < 8.321 and attr store1 > 8.221 ) 
     ((attr store1 < 7.835 and attr store1 > 7.775 ) and bondedto
      (attr store1 < 120.72  and attr store1 > 119.92 ))
6 0.1 0.1 peak 1047 volume 4.61011 ppm1 7.805 ppm2 8.271
 
! ############### n15noe.1048 NOT folded
assi (attr store1 < 1.569 and attr store1 > 1.469 ) 
     ((attr store1 < 7.835 and attr store1 > 7.775 ) and bondedto
      (attr store1 < 120.746  and attr store1 > 119.946 ))
6 0.1 0.1 peak 1048 volume 6.79693 ppm1 7.805 ppm2 1.519
 
! ############### n15noe.1049 NOT folded
assi (attr store1 < 1.35 and attr store1 > 1.25 ) 
     ((attr store1 < 7.834 and attr store1 > 7.774 ) and bondedto
      (attr store1 < 120.732  and attr store1 > 119.932 ))
6 0.1 0.1 peak 1049 volume 4.27433 ppm1 7.804 ppm2 1.300
 
! ############### n15noe.1050 NOT folded
assi (attr store1 < 7.213 and attr store1 > 7.113 ) 
     ((attr store1 < 8.309 and attr store1 > 8.249 ) and bondedto
      (attr store1 < 120.604  and attr store1 > 119.804 ))
6 0.1 0.1 peak 1050 volume 4.23556 ppm1 8.279 ppm2 7.163
 
! ############### n15noe.1051 NOT folded
assi (attr store1 < 3.717 and attr store1 > 3.617 ) 
     ((attr store1 < 8.304 and attr store1 > 8.244 ) and bondedto
      (attr store1 < 120.578  and attr store1 > 119.778 ))
6 0.1 0.1 peak 1051 volume 8.29361 ppm1 8.274 ppm2 3.667
 
! ############### n15noe.1052 NOT folded
assi (attr store1 < 1.179 and attr store1 > 1.079 ) 
     ((attr store1 < 8.302 and attr store1 > 8.242 ) and bondedto
      (attr store1 < 120.598  and attr store1 > 119.798 ))
6 0.1 0.1 peak 1052 volume 18.35579 ppm1 8.272 ppm2 1.129
 
! ############### n15noe.1053 NOT folded
assi (attr store1 < 8.356 and attr store1 > 8.256 ) 
     ((attr store1 < 7.848 and attr store1 > 7.788 ) and bondedto
      (attr store1 < 120.61  and attr store1 > 119.81 ))
6 0.1 0.1 peak 1053 volume 3.56414 ppm1 7.818 ppm2 8.306
 
! ############### n15noe.1054 NOT folded
assi (attr store1 < 8.572 and attr store1 > 8.472 ) 
     ((attr store1 < 7.842 and attr store1 > 7.782 ) and bondedto
      (attr store1 < 120.596  and attr store1 > 119.796 ))
6 0.1 0.1 peak 1054 volume 5.21801 ppm1 7.812 ppm2 8.522
 
! ############### n15noe.1055 NOT folded
assi (attr store1 < 8.494 and attr store1 > 8.394 ) 
     ((attr store1 < 7.844 and attr store1 > 7.784 ) and bondedto
      (attr store1 < 120.618  and attr store1 > 119.818 ))
6 0.1 0.1 peak 1055 volume 5.25953 ppm1 7.814 ppm2 8.444
 
! ############### n15noe.1056 NOT folded
assi (attr store1 < 8.422 and attr store1 > 8.322 ) 
     ((attr store1 < 7.843 and attr store1 > 7.783 ) and bondedto
      (attr store1 < 120.608  and attr store1 > 119.808 ))
6 0.1 0.1 peak 1056 volume 18.87687 ppm1 7.813 ppm2 8.372
 
! ############### n15noe.1057 NOT folded
assi (attr store1 < 8.051 and attr store1 > 7.951 ) 
     ((attr store1 < 7.845 and attr store1 > 7.785 ) and bondedto
      (attr store1 < 120.62  and attr store1 > 119.82 ))
6 0.1 0.1 peak 1057 volume 21.90430 ppm1 7.815 ppm2 8.001
 
! ############### n15noe.1058 NOT folded
assi (attr store1 < 4.578 and attr store1 > 4.478 ) 
     ((attr store1 < 7.845 and attr store1 > 7.785 ) and bondedto
      (attr store1 < 120.646  and attr store1 > 119.846 ))
6 0.1 0.1 peak 1058 volume 4.39322 ppm1 7.815 ppm2 4.528
 
! ############### n15noe.1059 NOT folded
assi (attr store1 < 4.472 and attr store1 > 4.372 ) 
     ((attr store1 < 7.844 and attr store1 > 7.784 ) and bondedto
      (attr store1 < 120.649  and attr store1 > 119.849 ))
6 0.1 0.1 peak 1059 volume 4.55089 ppm1 7.814 ppm2 4.422
 
! ############### n15noe.1060 NOT folded
assi (attr store1 < 2.097 and attr store1 > 1.997 ) 
     ((attr store1 < 7.844 and attr store1 > 7.784 ) and bondedto
      (attr store1 < 120.632  and attr store1 > 119.832 ))
6 0.1 0.1 peak 1060 volume 72.06087 ppm1 7.814 ppm2 2.047
 
! ############### n15noe.1061 NOT folded
assi (attr store1 < 4.061 and attr store1 > 3.961 ) 
     ((attr store1 < 7.841 and attr store1 > 7.781 ) and bondedto
      (attr store1 < 120.638  and attr store1 > 119.838 ))
6 0.1 0.1 peak 1061 volume 29.87754 ppm1 7.811 ppm2 4.011
 
! ############### n15noe.1062 NOT folded
assi (attr store1 < 1.477 and attr store1 > 1.377 ) 
     ((attr store1 < 7.838 and attr store1 > 7.778 ) and bondedto
      (attr store1 < 120.592  and attr store1 > 119.792 ))
6 0.1 0.1 peak 1062 volume 8.77674 ppm1 7.808 ppm2 1.427
 
! ############### n15noe.1063 NOT folded
assi (attr store1 < 2.282 and attr store1 > 2.182 ) 
     ((attr store1 < 7.834 and attr store1 > 7.774 ) and bondedto
      (attr store1 < 120.624  and attr store1 > 119.824 ))
6 0.1 0.1 peak 1063 volume 10.50373 ppm1 7.804 ppm2 2.232
 
! ############### n15noe.1064 NOT folded
assi (attr store1 < 3.656 and attr store1 > 3.556 ) 
     ((attr store1 < 8.475 and attr store1 > 8.415 ) and bondedto
      (attr store1 < 120.486  and attr store1 > 119.686 ))
6 0.1 0.1 peak 1064 volume 4.58223 ppm1 8.445 ppm2 3.606
 
! ############### n15noe.1065 NOT folded
assi (attr store1 < 1.739 and attr store1 > 1.639 ) 
     ((attr store1 < 8.475 and attr store1 > 8.415 ) and bondedto
      (attr store1 < 120.481  and attr store1 > 119.681 ))
6 0.1 0.1 peak 1065 volume 3.99220 ppm1 8.445 ppm2 1.689
 
! ############### n15noe.1066 NOT folded
assi (attr store1 < 0.841 and attr store1 > 0.741 ) 
     ((attr store1 < 8.473 and attr store1 > 8.413 ) and bondedto
      (attr store1 < 120.48  and attr store1 > 119.68 ))
6 0.1 0.1 peak 1066 volume 7.82356 ppm1 8.443 ppm2 0.791
 
! ############### n15noe.1067 NOT folded
assi (attr store1 < 7.889 and attr store1 > 7.789 ) 
     ((attr store1 < 8.304 and attr store1 > 8.244 ) and bondedto
      (attr store1 < 120.536  and attr store1 > 119.736 ))
6 0.1 0.1 peak 1067 volume 5.06315 ppm1 8.274 ppm2 7.839
 
! ############### n15noe.1068 NOT folded
assi (attr store1 < 3.637 and attr store1 > 3.537 ) 
     ((attr store1 < 8.301 and attr store1 > 8.241 ) and bondedto
      (attr store1 < 120.535  and attr store1 > 119.735 ))
6 0.1 0.1 peak 1068 volume 8.21040 ppm1 8.271 ppm2 3.587
 
! ############### n15noe.1069 NOT folded
assi (attr store1 < 2.375 and attr store1 > 2.275 ) 
     ((attr store1 < 8.299 and attr store1 > 8.239 ) and bondedto
      (attr store1 < 120.534  and attr store1 > 119.734 ))
6 0.1 0.1 peak 1069 volume 13.07887 ppm1 8.269 ppm2 2.325
 
! ############### n15noe.1070 NOT folded
assi (attr store1 < 1.015 and attr store1 > 0.915 ) 
     ((attr store1 < 8.298 and attr store1 > 8.238 ) and bondedto
      (attr store1 < 120.531  and attr store1 > 119.731 ))
6 0.1 0.1 peak 1070 volume 7.80519 ppm1 8.268 ppm2 0.965
 
! ############### n15noe.1071 NOT folded
assi (attr store1 < 7.885 and attr store1 > 7.785 ) 
     ((attr store1 < 8.284 and attr store1 > 8.224 ) and bondedto
      (attr store1 < 120.464  and attr store1 > 119.664 ))
6 0.1 0.1 peak 1071 volume 4.88871 ppm1 8.254 ppm2 7.835
 
! ############### n15noe.1072 NOT folded
assi (attr store1 < 7.974 and attr store1 > 7.874 ) 
     ((attr store1 < 8.787 and attr store1 > 8.727 ) and bondedto
      (attr store1 < 120.38  and attr store1 > 119.58 ))
6 0.1 0.1 peak 1072 volume 15.52462 ppm1 8.757 ppm2 7.924
 
! ############### n15noe.1073 NOT folded
assi (attr store1 < 7.747 and attr store1 > 7.647 ) 
     ((attr store1 < 8.789 and attr store1 > 8.729 ) and bondedto
      (attr store1 < 120.415  and attr store1 > 119.615 ))
6 0.1 0.1 peak 1073 volume 4.68006 ppm1 8.759 ppm2 7.697
 
! ############### n15noe.1074 NOT folded
assi (attr store1 < 3.827 and attr store1 > 3.727 ) 
     ((attr store1 < 8.787 and attr store1 > 8.727 ) and bondedto
      (attr store1 < 120.452  and attr store1 > 119.652 ))
6 0.1 0.1 peak 1074 volume 4.08744 ppm1 8.757 ppm2 3.777
 
! ############### n15noe.1075 NOT folded
assi (attr store1 < 3.984 and attr store1 > 3.884 ) 
     ((attr store1 < 8.784 and attr store1 > 8.724 ) and bondedto
      (attr store1 < 120.394  and attr store1 > 119.594 ))
6 0.1 0.1 peak 1075 volume 14.02241 ppm1 8.754 ppm2 3.934
 
! ############### n15noe.1076 NOT folded
assi (attr store1 < 3.612 and attr store1 > 3.512 ) 
     ((attr store1 < 8.784 and attr store1 > 8.724 ) and bondedto
      (attr store1 < 120.395  and attr store1 > 119.595 ))
6 0.1 0.1 peak 1076 volume 3.62338 ppm1 8.754 ppm2 3.562
 
! ############### n15noe.1077 NOT folded
assi (attr store1 < 1.494 and attr store1 > 1.394 ) 
     ((attr store1 < 8.784 and attr store1 > 8.724 ) and bondedto
      (attr store1 < 120.369  and attr store1 > 119.569 ))
6 0.1 0.1 peak 1077 volume 10.78763 ppm1 8.754 ppm2 1.444
 
! ############### n15noe.1078 NOT folded
assi (attr store1 < 0.941 and attr store1 > 0.841 ) 
     ((attr store1 < 8.784 and attr store1 > 8.724 ) and bondedto
      (attr store1 < 120.391  and attr store1 > 119.591 ))
6 0.1 0.1 peak 1078 volume 19.67586 ppm1 8.754 ppm2 0.891
 
! ############### n15noe.1079 NOT folded
assi (attr store1 < 8.684 and attr store1 > 8.584 ) 
     ((attr store1 < 8.483 and attr store1 > 8.423 ) and bondedto
      (attr store1 < 120.444  and attr store1 > 119.644 ))
6 0.1 0.1 peak 1079 volume 21.52758 ppm1 8.453 ppm2 8.634
 
! ############### n15noe.1080 NOT folded
assi (attr store1 < 8.069 and attr store1 > 7.969 ) 
     ((attr store1 < 8.481 and attr store1 > 8.421 ) and bondedto
      (attr store1 < 120.412  and attr store1 > 119.612 ))
6 0.1 0.1 peak 1080 volume 5.45149 ppm1 8.451 ppm2 8.019
 
! ############### n15noe.1081 NOT folded
assi (attr store1 < 4.025 and attr store1 > 3.925 ) 
     ((attr store1 < 8.48 and attr store1 > 8.42 ) and bondedto
      (attr store1 < 120.445  and attr store1 > 119.645 ))
6 0.1 0.1 peak 1081 volume 4.74592 ppm1 8.450 ppm2 3.975
 
! ############### n15noe.1082 NOT folded
assi (attr store1 < 2.241 and attr store1 > 2.141 ) 
     ((attr store1 < 8.48 and attr store1 > 8.42 ) and bondedto
      (attr store1 < 120.425  and attr store1 > 119.625 ))
6 0.1 0.1 peak 1082 volume 3.80333 ppm1 8.450 ppm2 2.191
 
! ############### n15noe.1083 NOT folded
assi (attr store1 < 2.086 and attr store1 > 1.986 ) 
     ((attr store1 < 8.479 and attr store1 > 8.419 ) and bondedto
      (attr store1 < 120.409  and attr store1 > 119.609 ))
6 0.1 0.1 peak 1083 volume 6.13553 ppm1 8.449 ppm2 2.036
 
! ############### n15noe.1084 NOT folded
assi (attr store1 < 8.714 and attr store1 > 8.614 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 120.423  and attr store1 > 119.623 ))
6 0.1 0.1 peak 1084 volume 25.58643 ppm1 8.446 ppm2 8.664
 
! ############### n15noe.1085 NOT folded
assi (attr store1 < 8.655 and attr store1 > 8.555 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 120.427  and attr store1 > 119.627 ))
6 0.1 0.1 peak 1085 volume 23.82983 ppm1 8.447 ppm2 8.605
 
! ############### n15noe.1086 NOT folded
assi (attr store1 < 8.585 and attr store1 > 8.485 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 120.403  and attr store1 > 119.603 ))
6 0.1 0.1 peak 1086 volume 16.20450 ppm1 8.446 ppm2 8.535
 
! ############### n15noe.1087 NOT folded
assi (attr store1 < 7.598 and attr store1 > 7.498 ) 
     ((attr store1 < 8.474 and attr store1 > 8.414 ) and bondedto
      (attr store1 < 120.413  and attr store1 > 119.613 ))
6 0.1 0.1 peak 1087 volume 3.58141 ppm1 8.444 ppm2 7.548
 
! ############### n15noe.1088 NOT folded
assi (attr store1 < 4.399 and attr store1 > 4.299 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 120.425  and attr store1 > 119.625 ))
6 0.1 0.1 peak 1088 volume 11.52390 ppm1 8.447 ppm2 4.349
 
! ############### n15noe.1089 NOT folded
assi (attr store1 < 3.112 and attr store1 > 3.012 ) 
     ((attr store1 < 8.475 and attr store1 > 8.415 ) and bondedto
      (attr store1 < 120.437  and attr store1 > 119.637 ))
6 0.1 0.1 peak 1089 volume 29.72026 ppm1 8.445 ppm2 3.062
 
! ############### n15noe.1090 NOT folded
assi (attr store1 < 2.955 and attr store1 > 2.855 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 120.42  and attr store1 > 119.62 ))
6 0.1 0.1 peak 1090 volume 21.03749 ppm1 8.447 ppm2 2.905
 
! ############### n15noe.1091 NOT folded
assi (attr store1 < 2.482 and attr store1 > 2.382 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 120.427  and attr store1 > 119.627 ))
6 0.1 0.1 peak 1091 volume 4.40473 ppm1 8.446 ppm2 2.432
 
! ############### n15noe.1092 NOT folded
assi (attr store1 < 2.006 and attr store1 > 1.906 ) 
     ((attr store1 < 8.477 and attr store1 > 8.417 ) and bondedto
      (attr store1 < 120.415  and attr store1 > 119.615 ))
6 0.1 0.1 peak 1092 volume 16.29586 ppm1 8.447 ppm2 1.956
 
! ############### n15noe.1093 NOT folded
assi (attr store1 < 1.638 and attr store1 > 1.538 ) 
     ((attr store1 < 8.475 and attr store1 > 8.415 ) and bondedto
      (attr store1 < 120.452  and attr store1 > 119.652 ))
6 0.1 0.1 peak 1093 volume 3.97241 ppm1 8.445 ppm2 1.588
 
! ############### n15noe.1094 NOT folded
assi (attr store1 < 4.501 and attr store1 > 4.401 ) 
     ((attr store1 < 8.473 and attr store1 > 8.413 ) and bondedto
      (attr store1 < 120.444  and attr store1 > 119.644 ))
6 0.1 0.1 peak 1094 volume 18.72548 ppm1 8.443 ppm2 4.451
 
! ############### n15noe.1095 NOT folded
assi (attr store1 < 0.967 and attr store1 > 0.867 ) 
     ((attr store1 < 8.472 and attr store1 > 8.412 ) and bondedto
      (attr store1 < 120.453  and attr store1 > 119.653 ))
6 0.1 0.1 peak 1095 volume 15.25920 ppm1 8.442 ppm2 0.917
 
! ############### n15noe.1096 NOT folded
assi (attr store1 < 2.007 and attr store1 > 1.907 ) 
     ((attr store1 < 8.439 and attr store1 > 8.379 ) and bondedto
      (attr store1 < 120.401  and attr store1 > 119.601 ))
6 0.1 0.1 peak 1096 volume 5.51277 ppm1 8.409 ppm2 1.957
 
! ############### n15noe.1097 NOT folded
assi (attr store1 < 4.056 and attr store1 > 3.956 ) 
     ((attr store1 < 8.293 and attr store1 > 8.233 ) and bondedto
      (attr store1 < 120.453  and attr store1 > 119.653 ))
6 0.1 0.1 peak 1097 volume 6.61754 ppm1 8.263 ppm2 4.006
 
! ############### n15noe.1098 NOT folded
assi (attr store1 < 0.997 and attr store1 > 0.897 ) 
     ((attr store1 < 8.266 and attr store1 > 8.206 ) and bondedto
      (attr store1 < 120.419  and attr store1 > 119.619 ))
6 0.1 0.1 peak 1098 volume 6.17845 ppm1 8.236 ppm2 0.947
 
! ############### n15noe.1099 NOT folded
assi (attr store1 < 2.168 and attr store1 > 2.068 ) 
     ((attr store1 < 8.262 and attr store1 > 8.202 ) and bondedto
      (attr store1 < 120.389  and attr store1 > 119.589 ))
6 0.1 0.1 peak 1099 volume 32.40588 ppm1 8.232 ppm2 2.118
 
! ############### n15noe.1100 NOT folded
assi (attr store1 < 2.111 and attr store1 > 2.011 ) 
     ((attr store1 < 8.262 and attr store1 > 8.202 ) and bondedto
      (attr store1 < 120.402  and attr store1 > 119.602 ))
6 0.1 0.1 peak 1100 volume 23.79456 ppm1 8.232 ppm2 2.061
 
! ############### n15noe.1101 NOT folded
assi (attr store1 < 3.13 and attr store1 > 3.03 ) 
     ((attr store1 < 8.068 and attr store1 > 8.008 ) and bondedto
      (attr store1 < 120.383  and attr store1 > 119.583 ))
6 0.1 0.1 peak 1101 volume 3.56239 ppm1 8.038 ppm2 3.080
 
! ############### n15noe.1102 NOT folded
assi (attr store1 < 8.312 and attr store1 > 8.212 ) 
     ((attr store1 < 8.064 and attr store1 > 8.004 ) and bondedto
      (attr store1 < 120.406  and attr store1 > 119.606 ))
6 0.1 0.1 peak 1102 volume 3.98607 ppm1 8.034 ppm2 8.262
 
! ############### n15noe.1103 NOT folded
assi (attr store1 < 8.246 and attr store1 > 8.146 ) 
     ((attr store1 < 8.061 and attr store1 > 8.001 ) and bondedto
      (attr store1 < 120.407  and attr store1 > 119.607 ))
6 0.1 0.1 peak 1103 volume 5.29862 ppm1 8.031 ppm2 8.196
 
! ############### n15noe.1104 NOT folded
assi (attr store1 < 3.639 and attr store1 > 3.539 ) 
     ((attr store1 < 8.794 and attr store1 > 8.734 ) and bondedto
      (attr store1 < 120.325  and attr store1 > 119.525 ))
6 0.1 0.1 peak 1104 volume 3.56673 ppm1 8.764 ppm2 3.589
 
! ############### n15noe.1105 NOT folded
assi (attr store1 < 3.387 and attr store1 > 3.287 ) 
     ((attr store1 < 8.788 and attr store1 > 8.728 ) and bondedto
      (attr store1 < 120.34  and attr store1 > 119.54 ))
6 0.1 0.1 peak 1105 volume 4.35938 ppm1 8.758 ppm2 3.337
 
! ############### n15noe.1106 NOT folded
assi (attr store1 < 8.482 and attr store1 > 8.382 ) 
     ((attr store1 < 8.784 and attr store1 > 8.724 ) and bondedto
      (attr store1 < 120.322  and attr store1 > 119.522 ))
6 0.1 0.1 peak 1106 volume 14.17109 ppm1 8.754 ppm2 8.432
 
! ############### n15noe.1107 NOT folded
assi (attr store1 < 4.109 and attr store1 > 4.009 ) 
     ((attr store1 < 8.784 and attr store1 > 8.724 ) and bondedto
      (attr store1 < 120.316  and attr store1 > 119.516 ))
6 0.1 0.1 peak 1107 volume 4.59361 ppm1 8.754 ppm2 4.059
 
! ############### n15noe.1108 NOT folded
assi (attr store1 < 2.146 and attr store1 > 2.046 ) 
     ((attr store1 < 8.786 and attr store1 > 8.726 ) and bondedto
      (attr store1 < 120.344  and attr store1 > 119.544 ))
6 0.1 0.1 peak 1108 volume 13.97890 ppm1 8.756 ppm2 2.096
 
! ############### n15noe.1109 NOT folded
assi (attr store1 < 1.987 and attr store1 > 1.887 ) 
     ((attr store1 < 8.784 and attr store1 > 8.724 ) and bondedto
      (attr store1 < 120.352  and attr store1 > 119.552 ))
6 0.1 0.1 peak 1109 volume 27.69264 ppm1 8.754 ppm2 1.937
 
! ############### n15noe.1110 NOT folded
assi (attr store1 < 1.715 and attr store1 > 1.615 ) 
     ((attr store1 < 8.785 and attr store1 > 8.725 ) and bondedto
      (attr store1 < 120.357  and attr store1 > 119.557 ))
6 0.1 0.1 peak 1110 volume 21.12493 ppm1 8.755 ppm2 1.665
 
! ############### n15noe.1111 NOT folded
assi (attr store1 < 0.97 and attr store1 > 0.87 ) 
     ((attr store1 < 8.784 and attr store1 > 8.724 ) and bondedto
      (attr store1 < 120.33  and attr store1 > 119.53 ))
6 0.1 0.1 peak 1111 volume 19.63278 ppm1 8.754 ppm2 0.920
 
! ############### n15noe.1112 NOT folded
assi (attr store1 < 1.595 and attr store1 > 1.495 ) 
     ((attr store1 < 8.781 and attr store1 > 8.721 ) and bondedto
      (attr store1 < 120.332  and attr store1 > 119.532 ))
6 0.1 0.1 peak 1112 volume 6.50592 ppm1 8.751 ppm2 1.545
 
! ############### n15noe.1113 NOT folded
assi (attr store1 < 0.876 and attr store1 > 0.776 ) 
     ((attr store1 < 8.472 and attr store1 > 8.412 ) and bondedto
      (attr store1 < 120.33  and attr store1 > 119.53 ))
6 0.1 0.1 peak 1113 volume 6.37456 ppm1 8.442 ppm2 0.826
 
! ############### n15noe.1114 NOT folded
assi (attr store1 < 2.244 and attr store1 > 2.144 ) 
     ((attr store1 < 8.266 and attr store1 > 8.206 ) and bondedto
      (attr store1 < 120.315  and attr store1 > 119.515 ))
6 0.1 0.1 peak 1114 volume 40.44157 ppm1 8.236 ppm2 2.194
 
! ############### n15noe.1115 NOT folded
assi (attr store1 < 8.867 and attr store1 > 8.767 ) 
     ((attr store1 < 8.262 and attr store1 > 8.202 ) and bondedto
      (attr store1 < 120.316  and attr store1 > 119.516 ))
6 0.1 0.1 peak 1115 volume 5.87406 ppm1 8.232 ppm2 8.817
 
! ############### n15noe.1116 NOT folded
assi (attr store1 < 8.437 and attr store1 > 8.337 ) 
     ((attr store1 < 8.262 and attr store1 > 8.202 ) and bondedto
      (attr store1 < 120.335  and attr store1 > 119.535 ))
6 0.1 0.1 peak 1116 volume 9.58082 ppm1 8.232 ppm2 8.387
 
! ############### n15noe.1117 NOT folded
assi (attr store1 < 7.808 and attr store1 > 7.708 ) 
     ((attr store1 < 8.262 and attr store1 > 8.202 ) and bondedto
      (attr store1 < 120.321  and attr store1 > 119.521 ))
6 0.1 0.1 peak 1117 volume 22.68169 ppm1 8.232 ppm2 7.758
 
! ############### n15noe.1118 NOT folded
assi (attr store1 < 4.257 and attr store1 > 4.157 ) 
     ((attr store1 < 8.261 and attr store1 > 8.201 ) and bondedto
      (attr store1 < 120.275  and attr store1 > 119.475 ))
6 0.1 0.1 peak 1118 volume 12.39422 ppm1 8.231 ppm2 4.207
 
! ############### n15noe.1119 NOT folded
assi (attr store1 < 4.151 and attr store1 > 4.051 ) 
     ((attr store1 < 8.261 and attr store1 > 8.201 ) and bondedto
      (attr store1 < 120.313  and attr store1 > 119.513 ))
6 0.1 0.1 peak 1119 volume 25.69377 ppm1 8.231 ppm2 4.101
 
! ############### n15noe.1120 NOT folded
assi (attr store1 < 4.068 and attr store1 > 3.968 ) 
     ((attr store1 < 8.26 and attr store1 > 8.2 ) and bondedto
      (attr store1 < 120.353  and attr store1 > 119.553 ))
6 0.1 0.1 peak 1120 volume 4.04817 ppm1 8.230 ppm2 4.018
 
! ############### n15noe.1121 NOT folded
assi (attr store1 < 2.396 and attr store1 > 2.296 ) 
     ((attr store1 < 8.261 and attr store1 > 8.201 ) and bondedto
      (attr store1 < 120.326  and attr store1 > 119.526 ))
6 0.1 0.1 peak 1121 volume 19.47385 ppm1 8.231 ppm2 2.346
 
! ############### n15noe.1122 NOT folded
assi (attr store1 < 1.999 and attr store1 > 1.899 ) 
     ((attr store1 < 8.262 and attr store1 > 8.202 ) and bondedto
      (attr store1 < 120.312  and attr store1 > 119.512 ))
6 0.1 0.1 peak 1122 volume 30.01341 ppm1 8.232 ppm2 1.949
 
! ############### n15noe.1123 NOT folded
assi (attr store1 < 1.808 and attr store1 > 1.708 ) 
     ((attr store1 < 8.26 and attr store1 > 8.2 ) and bondedto
      (attr store1 < 120.335  and attr store1 > 119.535 ))
6 0.1 0.1 peak 1123 volume 6.62009 ppm1 8.230 ppm2 1.758
 
! ############### n15noe.1124 NOT folded
assi (attr store1 < 1.75 and attr store1 > 1.65 ) 
     ((attr store1 < 8.262 and attr store1 > 8.202 ) and bondedto
      (attr store1 < 120.314  and attr store1 > 119.514 ))
6 0.1 0.1 peak 1124 volume 6.55757 ppm1 8.232 ppm2 1.700
 
! ############### n15noe.1125 NOT folded
assi (attr store1 < 0.829 and attr store1 > 0.729 ) 
     ((attr store1 < 8.259 and attr store1 > 8.199 ) and bondedto
      (attr store1 < 120.29  and attr store1 > 119.49 ))
6 0.1 0.1 peak 1125 volume 6.17205 ppm1 8.229 ppm2 0.779
 
! ############### n15noe.1126 NOT folded
assi (attr store1 < 8.771 and attr store1 > 8.671 ) 
     ((attr store1 < 8.257 and attr store1 > 8.197 ) and bondedto
      (attr store1 < 120.336  and attr store1 > 119.536 ))
6 0.1 0.1 peak 1126 volume 12.58560 ppm1 8.227 ppm2 8.721
 
! ############### n15noe.1127 NOT folded
assi (attr store1 < 4.728 and attr store1 > 4.628 ) 
     ((attr store1 < 8.259 and attr store1 > 8.199 ) and bondedto
      (attr store1 < 120.328  and attr store1 > 119.528 ))
6 0.1 0.1 peak 1127 volume 9.16130 ppm1 8.229 ppm2 4.678
 
! ############### n15noe.1128 NOT folded
assi (attr store1 < 2.463 and attr store1 > 2.363 ) 
     ((attr store1 < 8.258 and attr store1 > 8.198 ) and bondedto
      (attr store1 < 120.313  and attr store1 > 119.513 ))
6 0.1 0.1 peak 1128 volume 15.34589 ppm1 8.228 ppm2 2.413
 
! ############### n15noe.1129 NOT folded
assi (attr store1 < 4.059 and attr store1 > 3.959 ) 
     ((attr store1 < 8.253 and attr store1 > 8.193 ) and bondedto
      (attr store1 < 120.304  and attr store1 > 119.504 ))
6 0.1 0.1 peak 1129 volume 3.94008 ppm1 8.223 ppm2 4.009
 
! ############### n15noe.1130 NOT folded
assi (attr store1 < 1.832 and attr store1 > 1.732 ) 
     ((attr store1 < 8.251 and attr store1 > 8.191 ) and bondedto
      (attr store1 < 120.32  and attr store1 > 119.52 ))
6 0.1 0.1 peak 1130 volume 5.15194 ppm1 8.221 ppm2 1.782
 
! ############### n15noe.1131 NOT folded
assi (attr store1 < 2.465 and attr store1 > 2.365 ) 
     ((attr store1 < 8.225 and attr store1 > 8.165 ) and bondedto
      (attr store1 < 120.306  and attr store1 > 119.506 ))
6 0.1 0.1 peak 1131 volume 3.56845 ppm1 8.195 ppm2 2.415
 
! ############### n15noe.1132 NOT folded
assi (attr store1 < 8.294 and attr store1 > 8.194 ) 
     ((attr store1 < 8.101 and attr store1 > 8.041 ) and bondedto
      (attr store1 < 120.297  and attr store1 > 119.497 ))
6 0.1 0.1 peak 1132 volume 4.04369 ppm1 8.071 ppm2 8.244
 
! ############### n15noe.1133 NOT folded
assi (attr store1 < 4.312 and attr store1 > 4.212 ) 
     ((attr store1 < 8.084 and attr store1 > 8.024 ) and bondedto
      (attr store1 < 120.292  and attr store1 > 119.492 ))
6 0.1 0.1 peak 1133 volume 3.73322 ppm1 8.054 ppm2 4.262
 
! ############### n15noe.1134 NOT folded
assi (attr store1 < 4.525 and attr store1 > 4.425 ) 
     ((attr store1 < 8.078 and attr store1 > 8.018 ) and bondedto
      (attr store1 < 120.307  and attr store1 > 119.507 ))
6 0.1 0.1 peak 1134 volume 5.79042 ppm1 8.048 ppm2 4.475
 
! ############### n15noe.1135 NOT folded
assi (attr store1 < 4.525 and attr store1 > 4.425 ) 
     ((attr store1 < 8.067 and attr store1 > 8.007 ) and bondedto
      (attr store1 < 120.323  and attr store1 > 119.523 ))
6 0.1 0.1 peak 1135 volume 7.66205 ppm1 8.037 ppm2 4.475
 
! ############### n15noe.1136 NOT folded
assi (attr store1 < 4.311 and attr store1 > 4.211 ) 
     ((attr store1 < 8.069 and attr store1 > 8.009 ) and bondedto
      (attr store1 < 120.302  and attr store1 > 119.502 ))
6 0.1 0.1 peak 1136 volume 5.77990 ppm1 8.039 ppm2 4.261
 
! ############### n15noe.1137 NOT folded
assi (attr store1 < 4.148 and attr store1 > 4.048 ) 
     ((attr store1 < 8.07 and attr store1 > 8.01 ) and bondedto
      (attr store1 < 120.301  and attr store1 > 119.501 ))
6 0.1 0.1 peak 1137 volume 4.12115 ppm1 8.040 ppm2 4.098
 
! ############### n15noe.1138 NOT folded
assi (attr store1 < 8.714 and attr store1 > 8.614 ) 
     ((attr store1 < 8.062 and attr store1 > 8.002 ) and bondedto
      (attr store1 < 120.329  and attr store1 > 119.529 ))
6 0.1 0.1 peak 1138 volume 17.07199 ppm1 8.032 ppm2 8.664
 
! ############### n15noe.1139 NOT folded
assi (attr store1 < 8.494 and attr store1 > 8.394 ) 
     ((attr store1 < 8.063 and attr store1 > 8.003 ) and bondedto
      (attr store1 < 120.301  and attr store1 > 119.501 ))
6 0.1 0.1 peak 1139 volume 4.76972 ppm1 8.033 ppm2 8.444
 
! ############### n15noe.1140 NOT folded
assi (attr store1 < 4.397 and attr store1 > 4.297 ) 
     ((attr store1 < 8.063 and attr store1 > 8.003 ) and bondedto
      (attr store1 < 120.327  and attr store1 > 119.527 ))
6 0.1 0.1 peak 1140 volume 21.01767 ppm1 8.033 ppm2 4.347
 
! ############### n15noe.1141 NOT folded
assi (attr store1 < 4.331 and attr store1 > 4.231 ) 
     ((attr store1 < 8.063 and attr store1 > 8.003 ) and bondedto
      (attr store1 < 120.303  and attr store1 > 119.503 ))
6 0.1 0.1 peak 1141 volume 6.17622 ppm1 8.033 ppm2 4.281
 
! ############### n15noe.1142 NOT folded
assi (attr store1 < 4.252 and attr store1 > 4.152 ) 
     ((attr store1 < 8.063 and attr store1 > 8.003 ) and bondedto
      (attr store1 < 120.289  and attr store1 > 119.489 ))
6 0.1 0.1 peak 1142 volume 3.57787 ppm1 8.033 ppm2 4.202
 
! ############### n15noe.1143 NOT folded
assi (attr store1 < 2.481 and attr store1 > 2.381 ) 
     ((attr store1 < 8.063 and attr store1 > 8.003 ) and bondedto
      (attr store1 < 120.325  and attr store1 > 119.525 ))
6 0.1 0.1 peak 1143 volume 13.32550 ppm1 8.033 ppm2 2.431
 
! ############### n15noe.1144 NOT folded
assi (attr store1 < 2.327 and attr store1 > 2.227 ) 
     ((attr store1 < 8.062 and attr store1 > 8.002 ) and bondedto
      (attr store1 < 120.321  and attr store1 > 119.521 ))
6 0.1 0.1 peak 1144 volume 35.73347 ppm1 8.032 ppm2 2.277
 
! ############### n15noe.1145 NOT folded
assi (attr store1 < 1.549 and attr store1 > 1.449 ) 
     ((attr store1 < 8.062 and attr store1 > 8.002 ) and bondedto
      (attr store1 < 120.317  and attr store1 > 119.517 ))
6 0.1 0.1 peak 1145 volume 5.14383 ppm1 8.032 ppm2 1.499
 
! ############### n15noe.1146 NOT folded
assi (attr store1 < 4.121 and attr store1 > 4.021 ) 
     ((attr store1 < 8.058 and attr store1 > 7.998 ) and bondedto
      (attr store1 < 120.321  and attr store1 > 119.521 ))
6 0.1 0.1 peak 1146 volume 5.19248 ppm1 8.028 ppm2 4.071
 
! ############### n15noe.1147 NOT folded
assi (attr store1 < 4.027 and attr store1 > 3.927 ) 
     ((attr store1 < 8.06 and attr store1 > 8.0 ) and bondedto
      (attr store1 < 120.302  and attr store1 > 119.502 ))
6 0.1 0.1 peak 1147 volume 7.80676 ppm1 8.030 ppm2 3.977
 
! ############### n15noe.1148 NOT folded
assi (attr store1 < 2.243 and attr store1 > 2.143 ) 
     ((attr store1 < 8.06 and attr store1 > 8.0 ) and bondedto
      (attr store1 < 120.337  and attr store1 > 119.537 ))
6 0.1 0.1 peak 1148 volume 27.24987 ppm1 8.030 ppm2 2.193
 
! ############### n15noe.1149 NOT folded
assi (attr store1 < 1.642 and attr store1 > 1.542 ) 
     ((attr store1 < 8.06 and attr store1 > 8.0 ) and bondedto
      (attr store1 < 120.335  and attr store1 > 119.535 ))
6 0.1 0.1 peak 1149 volume 30.69693 ppm1 8.030 ppm2 1.592
 
! ############### n15noe.1150 NOT folded
assi (attr store1 < 0.943 and attr store1 > 0.843 ) 
     ((attr store1 < 8.06 and attr store1 > 8.0 ) and bondedto
      (attr store1 < 120.294  and attr store1 > 119.494 ))
6 0.1 0.1 peak 1150 volume 6.59180 ppm1 8.030 ppm2 0.893
 
! ############### n15noe.1151 NOT folded
assi (attr store1 < 4.517 and attr store1 > 4.417 ) 
     ((attr store1 < 8.055 and attr store1 > 7.995 ) and bondedto
      (attr store1 < 120.321  and attr store1 > 119.521 ))
6 0.1 0.1 peak 1151 volume 9.92060 ppm1 8.025 ppm2 4.467
 
! ############### n15noe.1152 NOT folded
assi (attr store1 < 2.099 and attr store1 > 1.999 ) 
     ((attr store1 < 8.055 and attr store1 > 7.995 ) and bondedto
      (attr store1 < 120.346  and attr store1 > 119.546 ))
6 0.1 0.1 peak 1152 volume 5.24264 ppm1 8.025 ppm2 2.049
 
! ############### n15noe.1153 NOT folded
assi (attr store1 < 3.303 and attr store1 > 3.203 ) 
     ((attr store1 < 8.267 and attr store1 > 8.207 ) and bondedto
      (attr store1 < 120.267  and attr store1 > 119.467 ))
6 0.1 0.1 peak 1153 volume 3.77433 ppm1 8.237 ppm2 3.253
 
! ############### n15noe.1154 NOT folded
assi (attr store1 < 2.16 and attr store1 > 2.06 ) 
     ((attr store1 < 8.085 and attr store1 > 8.025 ) and bondedto
      (attr store1 < 120.244  and attr store1 > 119.444 ))
6 0.1 0.1 peak 1154 volume 4.24196 ppm1 8.055 ppm2 2.110
 
! ############### n15noe.1155 NOT folded
assi (attr store1 < 1.877 and attr store1 > 1.777 ) 
     ((attr store1 < 8.076 and attr store1 > 8.016 ) and bondedto
      (attr store1 < 120.237  and attr store1 > 119.437 ))
6 0.1 0.1 peak 1155 volume 3.66768 ppm1 8.046 ppm2 1.827
 
! ############### n15noe.1156 NOT folded
assi (attr store1 < 1.725 and attr store1 > 1.625 ) 
     ((attr store1 < 8.074 and attr store1 > 8.014 ) and bondedto
      (attr store1 < 120.247  and attr store1 > 119.447 ))
6 0.1 0.1 peak 1156 volume 3.69638 ppm1 8.044 ppm2 1.675
 
! ############### n15noe.1157 NOT folded
assi (attr store1 < 8.259 and attr store1 > 8.159 ) 
     ((attr store1 < 8.069 and attr store1 > 8.009 ) and bondedto
      (attr store1 < 120.249  and attr store1 > 119.449 ))
6 0.1 0.1 peak 1157 volume 5.18891 ppm1 8.039 ppm2 8.209
 
! ############### n15noe.1158 NOT folded
assi (attr store1 < 2.155 and attr store1 > 2.055 ) 
     ((attr store1 < 8.069 and attr store1 > 8.009 ) and bondedto
      (attr store1 < 120.23  and attr store1 > 119.43 ))
6 0.1 0.1 peak 1158 volume 8.40382 ppm1 8.039 ppm2 2.105
 
! ############### n15noe.1159 NOT folded
assi (attr store1 < 2.083 and attr store1 > 1.983 ) 
     ((attr store1 < 8.069 and attr store1 > 8.009 ) and bondedto
      (attr store1 < 120.238  and attr store1 > 119.438 ))
6 0.1 0.1 peak 1159 volume 5.48042 ppm1 8.039 ppm2 2.033
 
! ############### n15noe.1160 NOT folded
assi (attr store1 < 1.736 and attr store1 > 1.636 ) 
     ((attr store1 < 8.063 and attr store1 > 8.003 ) and bondedto
      (attr store1 < 120.211  and attr store1 > 119.411 ))
6 0.1 0.1 peak 1160 volume 4.54448 ppm1 8.033 ppm2 1.686
 
! ############### n15noe.1161 NOT folded
assi (attr store1 < 2.592 and attr store1 > 2.492 ) 
     ((attr store1 < 8.056 and attr store1 > 7.996 ) and bondedto
      (attr store1 < 120.227  and attr store1 > 119.427 ))
6 0.1 0.1 peak 1161 volume 4.45022 ppm1 8.026 ppm2 2.542
 
! ############### n15noe.1162 NOT folded
assi (attr store1 < 1.81 and attr store1 > 1.71 ) 
     ((attr store1 < 8.047 and attr store1 > 7.987 ) and bondedto
      (attr store1 < 120.246  and attr store1 > 119.446 ))
6 0.1 0.1 peak 1162 volume 3.51131 ppm1 8.017 ppm2 1.760
 
! ############### n15noe.1163 NOT folded
assi (attr store1 < 7.795 and attr store1 > 7.695 ) 
     ((attr store1 < 8.375 and attr store1 > 8.315 ) and bondedto
      (attr store1 < 120.114  and attr store1 > 119.314 ))
6 0.1 0.1 peak 1163 volume 16.24634 ppm1 8.345 ppm2 7.745
 
! ############### n15noe.1164 NOT folded
assi (attr store1 < 4.574 and attr store1 > 4.474 ) 
     ((attr store1 < 8.375 and attr store1 > 8.315 ) and bondedto
      (attr store1 < 120.114  and attr store1 > 119.314 ))
6 0.1 0.1 peak 1164 volume 12.88178 ppm1 8.345 ppm2 4.524
 
! ############### n15noe.1165 NOT folded
assi (attr store1 < 0.87 and attr store1 > 0.77 ) 
     ((attr store1 < 8.374 and attr store1 > 8.314 ) and bondedto
      (attr store1 < 120.165  and attr store1 > 119.365 ))
6 0.1 0.1 peak 1165 volume 4.29816 ppm1 8.344 ppm2 0.820
 
! ############### n15noe.1166 NOT folded
assi (attr store1 < 8.233 and attr store1 > 8.133 ) 
     ((attr store1 < 8.373 and attr store1 > 8.313 ) and bondedto
      (attr store1 < 120.097  and attr store1 > 119.297 ))
6 0.1 0.1 peak 1166 volume 19.34876 ppm1 8.343 ppm2 8.183
 
! ############### n15noe.1167 NOT folded
assi (attr store1 < 4.489 and attr store1 > 4.389 ) 
     ((attr store1 < 8.372 and attr store1 > 8.312 ) and bondedto
      (attr store1 < 120.109  and attr store1 > 119.309 ))
6 0.1 0.1 peak 1167 volume 16.12628 ppm1 8.342 ppm2 4.439
 
! ############### n15noe.1168 NOT folded
assi (attr store1 < 4.032 and attr store1 > 3.932 ) 
     ((attr store1 < 8.373 and attr store1 > 8.313 ) and bondedto
      (attr store1 < 120.116  and attr store1 > 119.316 ))
6 0.1 0.1 peak 1168 volume 5.44024 ppm1 8.343 ppm2 3.982
 
! ############### n15noe.1169 NOT folded
assi (attr store1 < 3.958 and attr store1 > 3.858 ) 
     ((attr store1 < 8.371 and attr store1 > 8.311 ) and bondedto
      (attr store1 < 120.143  and attr store1 > 119.343 ))
6 0.1 0.1 peak 1169 volume 5.96169 ppm1 8.341 ppm2 3.908
 
! ############### n15noe.1170 NOT folded
assi (attr store1 < 3.052 and attr store1 > 2.952 ) 
     ((attr store1 < 8.373 and attr store1 > 8.313 ) and bondedto
      (attr store1 < 120.086  and attr store1 > 119.286 ))
6 0.1 0.1 peak 1170 volume 21.14396 ppm1 8.343 ppm2 3.002
 
! ############### n15noe.1171 NOT folded
assi (attr store1 < 2.801 and attr store1 > 2.701 ) 
     ((attr store1 < 8.372 and attr store1 > 8.312 ) and bondedto
      (attr store1 < 120.107  and attr store1 > 119.307 ))
6 0.1 0.1 peak 1171 volume 15.60226 ppm1 8.342 ppm2 2.751
 
! ############### n15noe.1172 NOT folded
assi (attr store1 < 2.43 and attr store1 > 2.33 ) 
     ((attr store1 < 8.373 and attr store1 > 8.313 ) and bondedto
      (attr store1 < 120.097  and attr store1 > 119.297 ))
6 0.1 0.1 peak 1172 volume 10.72615 ppm1 8.343 ppm2 2.380
 
! ############### n15noe.1173 NOT folded
assi (attr store1 < 1.568 and attr store1 > 1.468 ) 
     ((attr store1 < 8.372 and attr store1 > 8.312 ) and bondedto
      (attr store1 < 120.119  and attr store1 > 119.319 ))
6 0.1 0.1 peak 1173 volume 12.97138 ppm1 8.342 ppm2 1.518
 
! ############### n15noe.1174 NOT folded
assi (attr store1 < 1.136 and attr store1 > 1.036 ) 
     ((attr store1 < 8.371 and attr store1 > 8.311 ) and bondedto
      (attr store1 < 120.087  and attr store1 > 119.287 ))
6 0.1 0.1 peak 1174 volume 10.05848 ppm1 8.341 ppm2 1.086
 
! ############### n15noe.1175 NOT folded
assi (attr store1 < 1.041 and attr store1 > 0.941 ) 
     ((attr store1 < 8.371 and attr store1 > 8.311 ) and bondedto
      (attr store1 < 120.107  and attr store1 > 119.307 ))
6 0.1 0.1 peak 1175 volume 6.13988 ppm1 8.341 ppm2 0.991
 
! ############### n15noe.1176 NOT folded
assi (attr store1 < 2.89 and attr store1 > 2.79 ) 
     ((attr store1 < 8.365 and attr store1 > 8.305 ) and bondedto
      (attr store1 < 120.088  and attr store1 > 119.288 ))
6 0.1 0.1 peak 1176 volume 4.12869 ppm1 8.335 ppm2 2.840
 
! ############### n15noe.1177 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 7.924 and attr store1 > 7.864 ) and bondedto
      (attr store1 < 120.124  and attr store1 > 119.324 ))
6 0.1 0.1 peak 1177 volume 16.28498 ppm1 7.894 ppm2 4.688
 
! ############### n15noe.1178 NOT folded
assi (attr store1 < 4.03 and attr store1 > 3.93 ) 
     ((attr store1 < 7.927 and attr store1 > 7.867 ) and bondedto
      (attr store1 < 120.1  and attr store1 > 119.3 ))
6 0.1 0.1 peak 1178 volume 7.09464 ppm1 7.897 ppm2 3.980
 
! ############### n15noe.1179 NOT folded
assi (attr store1 < 2.221 and attr store1 > 2.121 ) 
     ((attr store1 < 7.925 and attr store1 > 7.865 ) and bondedto
      (attr store1 < 120.086  and attr store1 > 119.286 ))
6 0.1 0.1 peak 1179 volume 18.74279 ppm1 7.895 ppm2 2.171
 
! ############### n15noe.1180 NOT folded
assi (attr store1 < 8.169 and attr store1 > 8.069 ) 
     ((attr store1 < 7.922 and attr store1 > 7.862 ) and bondedto
      (attr store1 < 120.107  and attr store1 > 119.307 ))
6 0.1 0.1 peak 1180 volume 28.72222 ppm1 7.892 ppm2 8.119
 
! ############### n15noe.1181 NOT folded
assi (attr store1 < 4.335 and attr store1 > 4.235 ) 
     ((attr store1 < 7.923 and attr store1 > 7.863 ) and bondedto
      (attr store1 < 120.105  and attr store1 > 119.305 ))
6 0.1 0.1 peak 1181 volume 24.94139 ppm1 7.893 ppm2 4.285
 
! ############### n15noe.1182 NOT folded
assi (attr store1 < 2.077 and attr store1 > 1.977 ) 
     ((attr store1 < 7.924 and attr store1 > 7.864 ) and bondedto
      (attr store1 < 120.09  and attr store1 > 119.29 ))
6 0.1 0.1 peak 1182 volume 56.94326 ppm1 7.894 ppm2 2.027
 
! ############### n15noe.1183 NOT folded
assi (attr store1 < 1.99 and attr store1 > 1.89 ) 
     ((attr store1 < 7.923 and attr store1 > 7.863 ) and bondedto
      (attr store1 < 120.1  and attr store1 > 119.3 ))
6 0.1 0.1 peak 1183 volume 7.54068 ppm1 7.893 ppm2 1.940
 
! ############### n15noe.1184 NOT folded
assi (attr store1 < 1.692 and attr store1 > 1.592 ) 
     ((attr store1 < 7.923 and attr store1 > 7.863 ) and bondedto
      (attr store1 < 120.076  and attr store1 > 119.276 ))
6 0.1 0.1 peak 1184 volume 35.37579 ppm1 7.893 ppm2 1.642
 
! ############### n15noe.1185 NOT folded
assi (attr store1 < 1.376 and attr store1 > 1.276 ) 
     ((attr store1 < 7.924 and attr store1 > 7.864 ) and bondedto
      (attr store1 < 120.086  and attr store1 > 119.286 ))
6 0.1 0.1 peak 1185 volume 25.33170 ppm1 7.894 ppm2 1.326
 
! ############### n15noe.1186 NOT folded
assi (attr store1 < 1.042 and attr store1 > 0.942 ) 
     ((attr store1 < 8.69 and attr store1 > 8.63 ) and bondedto
      (attr store1 < 120.041  and attr store1 > 119.241 ))
6 0.1 0.1 peak 1186 volume 4.82058 ppm1 8.660 ppm2 0.992
 
! ############### n15noe.1187 NOT folded
assi (attr store1 < 4.023 and attr store1 > 3.923 ) 
     ((attr store1 < 8.684 and attr store1 > 8.624 ) and bondedto
      (attr store1 < 119.982  and attr store1 > 119.182 ))
6 0.1 0.1 peak 1187 volume 8.03758 ppm1 8.654 ppm2 3.973
 
! ############### n15noe.1188 NOT folded
assi (attr store1 < 1.493 and attr store1 > 1.393 ) 
     ((attr store1 < 8.675 and attr store1 > 8.615 ) and bondedto
      (attr store1 < 119.986  and attr store1 > 119.186 ))
6 0.1 0.1 peak 1188 volume 5.85887 ppm1 8.645 ppm2 1.443
 
! ############### n15noe.1189 NOT folded
assi (attr store1 < 0.972 and attr store1 > 0.872 ) 
     ((attr store1 < 8.373 and attr store1 > 8.313 ) and bondedto
      (attr store1 < 120.061  and attr store1 > 119.261 ))
6 0.1 0.1 peak 1189 volume 6.03290 ppm1 8.343 ppm2 0.922
 
! ############### n15noe.1190 NOT folded
assi (attr store1 < 1.958 and attr store1 > 1.858 ) 
     ((attr store1 < 8.368 and attr store1 > 8.308 ) and bondedto
      (attr store1 < 119.999  and attr store1 > 119.199 ))
6 0.1 0.1 peak 1190 volume 5.34972 ppm1 8.338 ppm2 1.908
 
! ############### n15noe.1191 NOT folded
assi (attr store1 < 1.66 and attr store1 > 1.56 ) 
     ((attr store1 < 8.365 and attr store1 > 8.305 ) and bondedto
      (attr store1 < 120.026  and attr store1 > 119.226 ))
6 0.1 0.1 peak 1191 volume 3.97299 ppm1 8.335 ppm2 1.610
 
! ############### n15noe.1192 NOT folded
assi (attr store1 < 3.025 and attr store1 > 2.925 ) 
     ((attr store1 < 8.224 and attr store1 > 8.164 ) and bondedto
      (attr store1 < 120.011  and attr store1 > 119.211 ))
6 0.1 0.1 peak 1192 volume 3.63447 ppm1 8.194 ppm2 2.975
 
! ############### n15noe.1193 NOT folded
assi (attr store1 < 3.519 and attr store1 > 3.419 ) 
     ((attr store1 < 8.09 and attr store1 > 8.03 ) and bondedto
      (attr store1 < 119.986  and attr store1 > 119.186 ))
6 0.1 0.1 peak 1193 volume 3.60993 ppm1 8.060 ppm2 3.469
 
! ############### n15noe.1194 NOT folded
assi (attr store1 < 1.0 and attr store1 > 0.9 ) 
     ((attr store1 < 8.074 and attr store1 > 8.014 ) and bondedto
      (attr store1 < 120.013  and attr store1 > 119.213 ))
6 0.1 0.1 peak 1194 volume 6.20857 ppm1 8.044 ppm2 0.950
 
! ############### n15noe.1195 NOT folded
assi (attr store1 < 4.254 and attr store1 > 4.154 ) 
     ((attr store1 < 7.926 and attr store1 > 7.866 ) and bondedto
      (attr store1 < 120.056  and attr store1 > 119.256 ))
6 0.1 0.1 peak 1195 volume 21.06533 ppm1 7.896 ppm2 4.204
 
! ############### n15noe.1196 NOT folded
assi (attr store1 < 4.185 and attr store1 > 4.085 ) 
     ((attr store1 < 7.925 and attr store1 > 7.865 ) and bondedto
      (attr store1 < 120.068  and attr store1 > 119.268 ))
6 0.1 0.1 peak 1196 volume 39.08356 ppm1 7.895 ppm2 4.135
 
! ############### n15noe.1197 NOT folded
assi (attr store1 < 2.701 and attr store1 > 2.601 ) 
     ((attr store1 < 7.924 and attr store1 > 7.864 ) and bondedto
      (attr store1 < 120.053  and attr store1 > 119.253 ))
6 0.1 0.1 peak 1197 volume 5.28538 ppm1 7.894 ppm2 2.651
 
! ############### n15noe.1198 NOT folded
assi (attr store1 < 0.974 and attr store1 > 0.874 ) 
     ((attr store1 < 7.924 and attr store1 > 7.864 ) and bondedto
      (attr store1 < 120.057  and attr store1 > 119.257 ))
6 0.1 0.1 peak 1198 volume 19.25797 ppm1 7.894 ppm2 0.924
 
! ############### n15noe.1199 NOT folded
assi (attr store1 < 2.812 and attr store1 > 2.712 ) 
     ((attr store1 < 7.923 and attr store1 > 7.863 ) and bondedto
      (attr store1 < 120.061  and attr store1 > 119.261 ))
6 0.1 0.1 peak 1199 volume 6.72183 ppm1 7.893 ppm2 2.762
 
! ############### n15noe.1200 NOT folded
assi (attr store1 < 2.498 and attr store1 > 2.398 ) 
     ((attr store1 < 7.923 and attr store1 > 7.863 ) and bondedto
      (attr store1 < 120.072  and attr store1 > 119.272 ))
6 0.1 0.1 peak 1200 volume 21.29628 ppm1 7.893 ppm2 2.448
 
! ############### n15noe.1201 NOT folded
assi (attr store1 < 1.035 and attr store1 > 0.935 ) 
     ((attr store1 < 7.923 and attr store1 > 7.863 ) and bondedto
      (attr store1 < 120.067  and attr store1 > 119.267 ))
6 0.1 0.1 peak 1201 volume 24.14832 ppm1 7.893 ppm2 0.985
 
! ############### n15noe.1202 NOT folded
assi (attr store1 < 1.818 and attr store1 > 1.718 ) 
     ((attr store1 < 8.684 and attr store1 > 8.624 ) and bondedto
      (attr store1 < 119.962  and attr store1 > 119.162 ))
6 0.1 0.1 peak 1202 volume 5.26473 ppm1 8.654 ppm2 1.768
 
! ############### n15noe.1203 NOT folded
assi (attr store1 < 1.51 and attr store1 > 1.41 ) 
     ((attr store1 < 8.684 and attr store1 > 8.624 ) and bondedto
      (attr store1 < 119.941  and attr store1 > 119.141 ))
6 0.1 0.1 peak 1203 volume 5.87516 ppm1 8.654 ppm2 1.460
 
! ############### n15noe.1204 NOT folded
assi (attr store1 < 1.094 and attr store1 > 0.994 ) 
     ((attr store1 < 8.682 and attr store1 > 8.622 ) and bondedto
      (attr store1 < 119.922  and attr store1 > 119.122 ))
6 0.1 0.1 peak 1204 volume 4.96711 ppm1 8.652 ppm2 1.044
 
! ############### n15noe.1205 NOT folded
assi (attr store1 < 4.11 and attr store1 > 4.01 ) 
     ((attr store1 < 8.681 and attr store1 > 8.621 ) and bondedto
      (attr store1 < 119.959  and attr store1 > 119.159 ))
6 0.1 0.1 peak 1205 volume 3.83542 ppm1 8.651 ppm2 4.060
 
! ############### n15noe.1206 NOT folded
assi (attr store1 < 3.65 and attr store1 > 3.55 ) 
     ((attr store1 < 8.68 and attr store1 > 8.62 ) and bondedto
      (attr store1 < 119.95  and attr store1 > 119.15 ))
6 0.1 0.1 peak 1206 volume 9.27997 ppm1 8.650 ppm2 3.600
 
! ############### n15noe.1207 NOT folded
assi (attr store1 < 2.005 and attr store1 > 1.905 ) 
     ((attr store1 < 8.68 and attr store1 > 8.62 ) and bondedto
      (attr store1 < 119.944  and attr store1 > 119.144 ))
6 0.1 0.1 peak 1207 volume 17.93493 ppm1 8.650 ppm2 1.955
 
! ############### n15noe.1208 NOT folded
assi (attr store1 < 1.94 and attr store1 > 1.84 ) 
     ((attr store1 < 8.679 and attr store1 > 8.619 ) and bondedto
      (attr store1 < 119.962  and attr store1 > 119.162 ))
6 0.1 0.1 peak 1208 volume 14.03616 ppm1 8.649 ppm2 1.890
 
! ############### n15noe.1209 NOT folded
assi (attr store1 < 1.622 and attr store1 > 1.522 ) 
     ((attr store1 < 8.678 and attr store1 > 8.618 ) and bondedto
      (attr store1 < 119.92  and attr store1 > 119.12 ))
6 0.1 0.1 peak 1209 volume 5.74188 ppm1 8.648 ppm2 1.572
 
! ############### n15noe.1210 NOT folded
assi (attr store1 < 0.95 and attr store1 > 0.85 ) 
     ((attr store1 < 8.68 and attr store1 > 8.62 ) and bondedto
      (attr store1 < 119.957  and attr store1 > 119.157 ))
6 0.1 0.1 peak 1210 volume 29.19577 ppm1 8.650 ppm2 0.900
 
! ############### n15noe.1211 NOT folded
assi (attr store1 < 8.501 and attr store1 > 8.401 ) 
     ((attr store1 < 8.676 and attr store1 > 8.616 ) and bondedto
      (attr store1 < 119.938  and attr store1 > 119.138 ))
6 0.1 0.1 peak 1211 volume 12.06790 ppm1 8.646 ppm2 8.451
 
! ############### n15noe.1212 NOT folded
assi (attr store1 < 8.061 and attr store1 > 7.961 ) 
     ((attr store1 < 8.676 and attr store1 > 8.616 ) and bondedto
      (attr store1 < 119.948  and attr store1 > 119.148 ))
6 0.1 0.1 peak 1212 volume 12.44041 ppm1 8.646 ppm2 8.011
 
! ############### n15noe.1213 NOT folded
assi (attr store1 < 2.479 and attr store1 > 2.379 ) 
     ((attr store1 < 8.675 and attr store1 > 8.615 ) and bondedto
      (attr store1 < 119.954  and attr store1 > 119.154 ))
6 0.1 0.1 peak 1213 volume 7.15301 ppm1 8.645 ppm2 2.429
 
! ############### n15noe.1214 NOT folded
assi (attr store1 < 2.186 and attr store1 > 2.086 ) 
     ((attr store1 < 8.675 and attr store1 > 8.615 ) and bondedto
      (attr store1 < 119.928  and attr store1 > 119.128 ))
6 0.1 0.1 peak 1214 volume 3.62987 ppm1 8.645 ppm2 2.136
 
! ############### n15noe.1215 NOT folded
assi (attr store1 < 1.818 and attr store1 > 1.718 ) 
     ((attr store1 < 8.674 and attr store1 > 8.614 ) and bondedto
      (attr store1 < 119.947  and attr store1 > 119.147 ))
6 0.1 0.1 peak 1215 volume 5.51068 ppm1 8.644 ppm2 1.768
 
! ############### n15noe.1216 NOT folded
assi (attr store1 < 1.732 and attr store1 > 1.632 ) 
     ((attr store1 < 8.675 and attr store1 > 8.615 ) and bondedto
      (attr store1 < 119.953  and attr store1 > 119.153 ))
6 0.1 0.1 peak 1216 volume 6.83415 ppm1 8.645 ppm2 1.682
 
! ############### n15noe.1217 NOT folded
assi (attr store1 < 1.069 and attr store1 > 0.969 ) 
     ((attr store1 < 8.674 and attr store1 > 8.614 ) and bondedto
      (attr store1 < 119.933  and attr store1 > 119.133 ))
6 0.1 0.1 peak 1217 volume 5.74080 ppm1 8.644 ppm2 1.019
 
! ############### n15noe.1218 NOT folded
assi (attr store1 < 0.85 and attr store1 > 0.75 ) 
     ((attr store1 < 8.675 and attr store1 > 8.615 ) and bondedto
      (attr store1 < 119.937  and attr store1 > 119.137 ))
6 0.1 0.1 peak 1218 volume 15.41224 ppm1 8.645 ppm2 0.800
 
! ############### n15noe.1219 NOT folded
assi (attr store1 < 1.987 and attr store1 > 1.887 ) 
     ((attr store1 < 8.669 and attr store1 > 8.609 ) and bondedto
      (attr store1 < 119.935  and attr store1 > 119.135 ))
6 0.1 0.1 peak 1219 volume 16.36771 ppm1 8.639 ppm2 1.937
 
! ############### n15noe.1220 NOT folded
assi (attr store1 < 4.506 and attr store1 > 4.406 ) 
     ((attr store1 < 8.191 and attr store1 > 8.131 ) and bondedto
      (attr store1 < 119.933  and attr store1 > 119.133 ))
6 0.1 0.1 peak 1220 volume 4.93365 ppm1 8.161 ppm2 4.456
 
! ############### n15noe.1221 NOT folded
assi (attr store1 < 1.086 and attr store1 > 0.986 ) 
     ((attr store1 < 8.028 and attr store1 > 7.968 ) and bondedto
      (attr store1 < 119.919  and attr store1 > 119.119 ))
6 0.1 0.1 peak 1221 volume 6.95323 ppm1 7.998 ppm2 1.036
 
! ############### n15noe.1222 NOT folded
assi (attr store1 < 7.891 and attr store1 > 7.791 ) 
     ((attr store1 < 8.025 and attr store1 > 7.965 ) and bondedto
      (attr store1 < 119.909  and attr store1 > 119.109 ))
6 0.1 0.1 peak 1222 volume 26.47526 ppm1 7.995 ppm2 7.841
 
! ############### n15noe.1223 NOT folded
assi (attr store1 < 4.172 and attr store1 > 4.072 ) 
     ((attr store1 < 8.026 and attr store1 > 7.966 ) and bondedto
      (attr store1 < 119.907  and attr store1 > 119.107 ))
6 0.1 0.1 peak 1223 volume 8.19968 ppm1 7.996 ppm2 4.122
 
! ############### n15noe.1224 NOT folded
assi (attr store1 < 3.079 and attr store1 > 2.979 ) 
     ((attr store1 < 8.027 and attr store1 > 7.967 ) and bondedto
      (attr store1 < 119.885  and attr store1 > 119.085 ))
6 0.1 0.1 peak 1224 volume 4.17377 ppm1 7.997 ppm2 3.029
 
! ############### n15noe.1225 NOT folded
assi (attr store1 < 2.257 and attr store1 > 2.157 ) 
     ((attr store1 < 8.025 and attr store1 > 7.965 ) and bondedto
      (attr store1 < 119.919  and attr store1 > 119.119 ))
6 0.1 0.1 peak 1225 volume 9.51731 ppm1 7.995 ppm2 2.207
 
! ############### n15noe.1226 NOT folded
assi (attr store1 < 1.89 and attr store1 > 1.79 ) 
     ((attr store1 < 8.024 and attr store1 > 7.964 ) and bondedto
      (attr store1 < 119.903  and attr store1 > 119.103 ))
6 0.1 0.1 peak 1226 volume 16.78957 ppm1 7.994 ppm2 1.840
 
! ############### n15noe.1227 NOT folded
assi (attr store1 < 1.666 and attr store1 > 1.566 ) 
     ((attr store1 < 8.025 and attr store1 > 7.965 ) and bondedto
      (attr store1 < 119.935  and attr store1 > 119.135 ))
6 0.1 0.1 peak 1227 volume 4.93399 ppm1 7.995 ppm2 1.616
 
! ############### n15noe.1228 NOT folded
assi (attr store1 < 1.601 and attr store1 > 1.501 ) 
     ((attr store1 < 8.025 and attr store1 > 7.965 ) and bondedto
      (attr store1 < 119.934  and attr store1 > 119.134 ))
6 0.1 0.1 peak 1228 volume 4.80771 ppm1 7.995 ppm2 1.551
 
! ############### n15noe.1229 NOT folded
assi ( resid 61  and name HG1  )
     ( resid 18  and name HN  )
6 0.1 0.1 peak 1229 volume 12.05767 ppm1 7.993 ppm2 1.119
 
! ############### n15noe.1230 NOT folded
assi (attr store1 < 0.895 and attr store1 > 0.795 ) 
     ((attr store1 < 8.024 and attr store1 > 7.964 ) and bondedto
      (attr store1 < 119.895  and attr store1 > 119.095 ))
6 0.1 0.1 peak 1230 volume 16.44303 ppm1 7.994 ppm2 0.845
 
! ############### n15noe.1231 NOT folded
assi (attr store1 < 3.527 and attr store1 > 3.427 ) 
     ((attr store1 < 8.021 and attr store1 > 7.961 ) and bondedto
      (attr store1 < 119.897  and attr store1 > 119.097 ))
6 0.1 0.1 peak 1231 volume 14.67960 ppm1 7.991 ppm2 3.477
 
! ############### n15noe.1232 NOT folded
assi (attr store1 < 1.008 and attr store1 > 0.908 ) 
     ((attr store1 < 8.021 and attr store1 > 7.961 ) and bondedto
      (attr store1 < 119.893  and attr store1 > 119.093 ))
6 0.1 0.1 peak 1232 volume 44.33920 ppm1 7.991 ppm2 0.958
 
! ############### n15noe.1233 NOT folded
assi (attr store1 < 4.576 and attr store1 > 4.476 ) 
     ((attr store1 < 8.419 and attr store1 > 8.359 ) and bondedto
      (attr store1 < 119.825  and attr store1 > 119.025 ))
6 0.1 0.1 peak 1233 volume 6.17646 ppm1 8.389 ppm2 4.526
 
! ############### n15noe.1234 NOT folded
assi (attr store1 < 7.629 and attr store1 > 7.529 ) 
     ((attr store1 < 8.416 and attr store1 > 8.356 ) and bondedto
      (attr store1 < 119.789  and attr store1 > 118.989 ))
6 0.1 0.1 peak 1234 volume 10.36863 ppm1 8.386 ppm2 7.579
 
! ############### n15noe.1235 NOT folded
assi (attr store1 < 4.492 and attr store1 > 4.392 ) 
     ((attr store1 < 8.418 and attr store1 > 8.358 ) and bondedto
      (attr store1 < 119.813  and attr store1 > 119.013 ))
6 0.1 0.1 peak 1235 volume 6.28950 ppm1 8.388 ppm2 4.442
 
! ############### n15noe.1236 NOT folded
assi (attr store1 < 2.965 and attr store1 > 2.865 ) 
     ((attr store1 < 8.416 and attr store1 > 8.356 ) and bondedto
      (attr store1 < 119.802  and attr store1 > 119.002 ))
6 0.1 0.1 peak 1236 volume 4.99759 ppm1 8.386 ppm2 2.915
 
! ############### n15noe.1237 NOT folded
assi (attr store1 < 2.811 and attr store1 > 2.711 ) 
     ((attr store1 < 8.417 and attr store1 > 8.357 ) and bondedto
      (attr store1 < 119.82  and attr store1 > 119.02 ))
6 0.1 0.1 peak 1237 volume 7.99880 ppm1 8.387 ppm2 2.761
 
! ############### n15noe.1238 NOT folded
assi (attr store1 < 2.447 and attr store1 > 2.347 ) 
     ((attr store1 < 8.418 and attr store1 > 8.358 ) and bondedto
      (attr store1 < 119.843  and attr store1 > 119.043 ))
6 0.1 0.1 peak 1238 volume 4.32432 ppm1 8.388 ppm2 2.397
 
! ############### n15noe.1239 NOT folded
assi (attr store1 < 2.361 and attr store1 > 2.261 ) 
     ((attr store1 < 8.415 and attr store1 > 8.355 ) and bondedto
      (attr store1 < 119.854  and attr store1 > 119.054 ))
6 0.1 0.1 peak 1239 volume 4.45710 ppm1 8.385 ppm2 2.311
 
! ############### n15noe.1240 NOT folded
assi (attr store1 < 2.152 and attr store1 > 2.052 ) 
     ((attr store1 < 8.416 and attr store1 > 8.356 ) and bondedto
      (attr store1 < 119.806  and attr store1 > 119.006 ))
6 0.1 0.1 peak 1240 volume 16.56824 ppm1 8.386 ppm2 2.102
 
! ############### n15noe.1241 NOT folded
assi (attr store1 < 2.081 and attr store1 > 1.981 ) 
     ((attr store1 < 8.416 and attr store1 > 8.356 ) and bondedto
      (attr store1 < 119.832  and attr store1 > 119.032 ))
6 0.1 0.1 peak 1241 volume 15.69549 ppm1 8.386 ppm2 2.031
 
! ############### n15noe.1242 NOT folded
assi (attr store1 < 1.992 and attr store1 > 1.892 ) 
     ((attr store1 < 8.416 and attr store1 > 8.356 ) and bondedto
      (attr store1 < 119.843  and attr store1 > 119.043 ))
6 0.1 0.1 peak 1242 volume 7.42535 ppm1 8.386 ppm2 1.942
 
! ############### n15noe.1243 NOT folded
assi (attr store1 < 1.923 and attr store1 > 1.823 ) 
     ((attr store1 < 8.416 and attr store1 > 8.356 ) and bondedto
      (attr store1 < 119.823  and attr store1 > 119.023 ))
6 0.1 0.1 peak 1243 volume 18.00979 ppm1 8.386 ppm2 1.873
 
! ############### n15noe.1244 NOT folded
assi (attr store1 < 1.778 and attr store1 > 1.678 ) 
     ((attr store1 < 8.417 and attr store1 > 8.357 ) and bondedto
      (attr store1 < 119.815  and attr store1 > 119.015 ))
6 0.1 0.1 peak 1244 volume 9.78803 ppm1 8.387 ppm2 1.728
 
! ############### n15noe.1245 NOT folded
assi (attr store1 < 1.703 and attr store1 > 1.603 ) 
     ((attr store1 < 8.415 and attr store1 > 8.355 ) and bondedto
      (attr store1 < 119.854  and attr store1 > 119.054 ))
6 0.1 0.1 peak 1245 volume 4.79625 ppm1 8.385 ppm2 1.653
 
! ############### n15noe.1246 NOT folded
assi (attr store1 < 1.635 and attr store1 > 1.535 ) 
     ((attr store1 < 8.416 and attr store1 > 8.356 ) and bondedto
      (attr store1 < 119.812  and attr store1 > 119.012 ))
6 0.1 0.1 peak 1246 volume 4.16061 ppm1 8.386 ppm2 1.585
 
! ############### n15noe.1247 NOT folded
assi (attr store1 < 0.966 and attr store1 > 0.866 ) 
     ((attr store1 < 8.418 and attr store1 > 8.358 ) and bondedto
      (attr store1 < 119.802  and attr store1 > 119.002 ))
6 0.1 0.1 peak 1247 volume 5.23063 ppm1 8.388 ppm2 0.916
 
! ############### n15noe.1248 NOT folded
assi (attr store1 < 2.615 and attr store1 > 2.515 ) 
     ((attr store1 < 8.409 and attr store1 > 8.349 ) and bondedto
      (attr store1 < 119.829  and attr store1 > 119.029 ))
6 0.1 0.1 peak 1248 volume 3.88054 ppm1 8.379 ppm2 2.565
 
! ############### n15noe.1249 NOT folded
assi (attr store1 < 8.218 and attr store1 > 8.118 ) 
     ((attr store1 < 8.228 and attr store1 > 8.168 ) and bondedto
      (attr store1 < 119.868  and attr store1 > 119.068 ))
6 0.1 0.1 peak 1249 volume 25.17723 ppm1 8.198 ppm2 8.168
 
! ############### n15noe.1250 NOT folded
assi (attr store1 < 8.71 and attr store1 > 8.61 ) 
     ((attr store1 < 8.196 and attr store1 > 8.136 ) and bondedto
      (attr store1 < 119.826  and attr store1 > 119.026 ))
6 0.1 0.1 peak 1250 volume 3.59628 ppm1 8.166 ppm2 8.660
 
! ############### n15noe.1251 NOT folded
assi (attr store1 < 8.432 and attr store1 > 8.332 ) 
     ((attr store1 < 8.188 and attr store1 > 8.128 ) and bondedto
      (attr store1 < 119.831  and attr store1 > 119.031 ))
6 0.1 0.1 peak 1251 volume 8.45572 ppm1 8.158 ppm2 8.382
 
! ############### n15noe.1252 NOT folded
assi (attr store1 < 9.492 and attr store1 > 9.392 ) 
     ((attr store1 < 8.184 and attr store1 > 8.124 ) and bondedto
      (attr store1 < 119.834  and attr store1 > 119.034 ))
6 0.1 0.1 peak 1252 volume 16.84900 ppm1 8.154 ppm2 9.442
 
! ############### n15noe.1253 NOT folded
assi (attr store1 < 8.376 and attr store1 > 8.276 ) 
     ((attr store1 < 8.186 and attr store1 > 8.126 ) and bondedto
      (attr store1 < 119.829  and attr store1 > 119.029 ))
6 0.1 0.1 peak 1253 volume 7.79215 ppm1 8.156 ppm2 8.326
 
! ############### n15noe.1254 NOT folded
assi (attr store1 < 8.291 and attr store1 > 8.191 ) 
     ((attr store1 < 8.186 and attr store1 > 8.126 ) and bondedto
      (attr store1 < 119.832  and attr store1 > 119.032 ))
6 0.1 0.1 peak 1254 volume 32.38848 ppm1 8.156 ppm2 8.241
 
! ############### n15noe.1255 NOT folded
assi (attr store1 < 4.481 and attr store1 > 4.381 ) 
     ((attr store1 < 8.186 and attr store1 > 8.126 ) and bondedto
      (attr store1 < 119.848  and attr store1 > 119.048 ))
6 0.1 0.1 peak 1255 volume 5.25179 ppm1 8.156 ppm2 4.431
 
! ############### n15noe.1256 NOT folded
assi (attr store1 < 4.255 and attr store1 > 4.155 ) 
     ((attr store1 < 8.185 and attr store1 > 8.125 ) and bondedto
      (attr store1 < 119.834  and attr store1 > 119.034 ))
6 0.1 0.1 peak 1256 volume 5.06532 ppm1 8.155 ppm2 4.205
 
! ############### n15noe.1257 NOT folded
assi (attr store1 < 4.047 and attr store1 > 3.947 ) 
     ((attr store1 < 8.184 and attr store1 > 8.124 ) and bondedto
      (attr store1 < 119.843  and attr store1 > 119.043 ))
6 0.1 0.1 peak 1257 volume 4.47839 ppm1 8.154 ppm2 3.997
 
! ############### n15noe.1258 NOT folded
assi (attr store1 < 3.9 and attr store1 > 3.8 ) 
     ((attr store1 < 8.185 and attr store1 > 8.125 ) and bondedto
      (attr store1 < 119.839  and attr store1 > 119.039 ))
6 0.1 0.1 peak 1258 volume 3.55971 ppm1 8.155 ppm2 3.850
 
! ############### n15noe.1259 NOT folded
assi (attr store1 < 3.83 and attr store1 > 3.73 ) 
     ((attr store1 < 8.184 and attr store1 > 8.124 ) and bondedto
      (attr store1 < 119.831  and attr store1 > 119.031 ))
6 0.1 0.1 peak 1259 volume 11.85557 ppm1 8.154 ppm2 3.780
 
! ############### n15noe.1260 NOT folded
assi (attr store1 < 3.047 and attr store1 > 2.947 ) 
     ((attr store1 < 8.182 and attr store1 > 8.122 ) and bondedto
      (attr store1 < 119.836  and attr store1 > 119.036 ))
6 0.1 0.1 peak 1260 volume 11.50448 ppm1 8.152 ppm2 2.997
 
! ############### n15noe.1261 NOT folded
assi (attr store1 < 2.713 and attr store1 > 2.613 ) 
     ((attr store1 < 8.185 and attr store1 > 8.125 ) and bondedto
      (attr store1 < 119.843  and attr store1 > 119.043 ))
6 0.1 0.1 peak 1261 volume 11.39701 ppm1 8.155 ppm2 2.663
 
! ############### n15noe.1262 NOT folded
assi (attr store1 < 2.641 and attr store1 > 2.541 ) 
     ((attr store1 < 8.184 and attr store1 > 8.124 ) and bondedto
      (attr store1 < 119.836  and attr store1 > 119.036 ))
6 0.1 0.1 peak 1262 volume 21.19204 ppm1 8.154 ppm2 2.591
 
! ############### n15noe.1263 NOT folded
assi (attr store1 < 2.589 and attr store1 > 2.489 ) 
     ((attr store1 < 8.184 and attr store1 > 8.124 ) and bondedto
      (attr store1 < 119.841  and attr store1 > 119.041 ))
6 0.1 0.1 peak 1263 volume 19.08680 ppm1 8.154 ppm2 2.539
 
! ############### n15noe.1264 NOT folded
assi (attr store1 < 2.34 and attr store1 > 2.24 ) 
     ((attr store1 < 8.185 and attr store1 > 8.125 ) and bondedto
      (attr store1 < 119.828  and attr store1 > 119.028 ))
6 0.1 0.1 peak 1264 volume 31.29295 ppm1 8.155 ppm2 2.290
 
! ############### n15noe.1265 NOT folded
assi (attr store1 < 2.266 and attr store1 > 2.166 ) 
     ((attr store1 < 8.184 and attr store1 > 8.124 ) and bondedto
      (attr store1 < 119.862  and attr store1 > 119.062 ))
6 0.1 0.1 peak 1265 volume 24.22080 ppm1 8.154 ppm2 2.216
 
! ############### n15noe.1266 NOT folded
assi (attr store1 < 1.967 and attr store1 > 1.867 ) 
     ((attr store1 < 8.186 and attr store1 > 8.126 ) and bondedto
      (attr store1 < 119.865  and attr store1 > 119.065 ))
6 0.1 0.1 peak 1266 volume 4.11337 ppm1 8.156 ppm2 1.917
 
! ############### n15noe.1267 NOT folded
assi (attr store1 < 1.827 and attr store1 > 1.727 ) 
     ((attr store1 < 8.183 and attr store1 > 8.123 ) and bondedto
      (attr store1 < 119.813  and attr store1 > 119.013 ))
6 0.1 0.1 peak 1267 volume 5.23504 ppm1 8.153 ppm2 1.777
 
! ############### n15noe.1268 NOT folded
assi (attr store1 < 1.002 and attr store1 > 0.902 ) 
     ((attr store1 < 8.184 and attr store1 > 8.124 ) and bondedto
      (attr store1 < 119.871  and attr store1 > 119.071 ))
6 0.1 0.1 peak 1268 volume 8.73857 ppm1 8.154 ppm2 0.952
 
! ############### n15noe.1269 NOT folded
assi (attr store1 < 8.266 and attr store1 > 8.166 ) 
     ((attr store1 < 8.179 and attr store1 > 8.119 ) and bondedto
      (attr store1 < 119.824  and attr store1 > 119.024 ))
6 0.1 0.1 peak 1269 volume 31.24681 ppm1 8.149 ppm2 8.216
 
! ############### n15noe.1270 NOT folded
assi (attr store1 < 4.58 and attr store1 > 4.48 ) 
     ((attr store1 < 8.18 and attr store1 > 8.12 ) and bondedto
      (attr store1 < 119.86  and attr store1 > 119.06 ))
6 0.1 0.1 peak 1270 volume 6.48246 ppm1 8.150 ppm2 4.530
 
! ############### n15noe.1271 NOT folded
assi (attr store1 < 4.146 and attr store1 > 4.046 ) 
     ((attr store1 < 8.181 and attr store1 > 8.121 ) and bondedto
      (attr store1 < 119.794  and attr store1 > 118.994 ))
6 0.1 0.1 peak 1271 volume 18.97127 ppm1 8.151 ppm2 4.096
 
! ############### n15noe.1272 NOT folded
assi (attr store1 < 1.992 and attr store1 > 1.892 ) 
     ((attr store1 < 8.179 and attr store1 > 8.119 ) and bondedto
      (attr store1 < 119.827  and attr store1 > 119.027 ))
6 0.1 0.1 peak 1272 volume 4.07407 ppm1 8.149 ppm2 1.942
 
! ############### n15noe.1273 NOT folded
assi (attr store1 < 0.889 and attr store1 > 0.789 ) 
     ((attr store1 < 8.18 and attr store1 > 8.12 ) and bondedto
      (attr store1 < 119.856  and attr store1 > 119.056 ))
6 0.1 0.1 peak 1273 volume 3.99658 ppm1 8.150 ppm2 0.839
 
! ############### n15noe.1274 NOT folded
assi (attr store1 < 3.922 and attr store1 > 3.822 ) 
     ((attr store1 < 8.03 and attr store1 > 7.97 ) and bondedto
      (attr store1 < 119.859  and attr store1 > 119.059 ))
6 0.1 0.1 peak 1274 volume 4.28845 ppm1 8.000 ppm2 3.872
 
! ############### n15noe.1275 NOT folded
assi (attr store1 < 4.801 and attr store1 > 4.701 ) 
     ((attr store1 < 8.027 and attr store1 > 7.967 ) and bondedto
      (attr store1 < 119.874  and attr store1 > 119.074 ))
6 0.1 0.1 peak 1275 volume 8.17340 ppm1 7.997 ppm2 4.751
 
! ############### n15noe.1276 NOT folded
assi (attr store1 < 2.352 and attr store1 > 2.252 ) 
     ((attr store1 < 8.024 and attr store1 > 7.964 ) and bondedto
      (attr store1 < 119.825  and attr store1 > 119.025 ))
6 0.1 0.1 peak 1276 volume 25.67425 ppm1 7.994 ppm2 2.302
 
! ############### n15noe.1277 NOT folded
assi (attr store1 < 8.64 and attr store1 > 8.54 ) 
     ((attr store1 < 8.021 and attr store1 > 7.961 ) and bondedto
      (attr store1 < 119.869  and attr store1 > 119.069 ))
6 0.1 0.1 peak 1277 volume 15.37190 ppm1 7.991 ppm2 8.590
 
! ############### n15noe.1278 NOT folded
assi (attr store1 < 4.735 and attr store1 > 4.635 ) 
     ((attr store1 < 8.022 and attr store1 > 7.962 ) and bondedto
      (attr store1 < 119.873  and attr store1 > 119.073 ))
6 0.1 0.1 peak 1278 volume 5.93995 ppm1 7.992 ppm2 4.685
 
! ############### n15noe.1279 NOT folded
assi (attr store1 < 4.114 and attr store1 > 4.014 ) 
     ((attr store1 < 7.53 and attr store1 > 7.47 ) and bondedto
      (attr store1 < 119.793  and attr store1 > 118.993 ))
6 0.1 0.1 peak 1279 volume 11.27604 ppm1 7.500 ppm2 4.064
 
! ############### n15noe.1280 NOT folded
assi (attr store1 < 4.195 and attr store1 > 4.095 ) 
     ((attr store1 < 7.527 and attr store1 > 7.467 ) and bondedto
      (attr store1 < 119.826  and attr store1 > 119.026 ))
6 0.1 0.1 peak 1280 volume 3.64833 ppm1 7.497 ppm2 4.145
 
! ############### n15noe.1281 NOT folded
assi (attr store1 < 3.52 and attr store1 > 3.42 ) 
     ((attr store1 < 7.526 and attr store1 > 7.466 ) and bondedto
      (attr store1 < 119.845  and attr store1 > 119.045 ))
6 0.1 0.1 peak 1281 volume 4.09051 ppm1 7.496 ppm2 3.470
 
! ############### n15noe.1282 NOT folded
assi (attr store1 < 8.584 and attr store1 > 8.484 ) 
     ((attr store1 < 8.425 and attr store1 > 8.365 ) and bondedto
      (attr store1 < 119.753  and attr store1 > 118.953 ))
6 0.1 0.1 peak 1282 volume 11.92080 ppm1 8.395 ppm2 8.534
 
! ############### n15noe.1283 NOT folded
assi (attr store1 < 4.189 and attr store1 > 4.089 ) 
     ((attr store1 < 8.42 and attr store1 > 8.36 ) and bondedto
      (attr store1 < 119.754  and attr store1 > 118.954 ))
6 0.1 0.1 peak 1283 volume 11.43867 ppm1 8.390 ppm2 4.139
 
! ############### n15noe.1284 NOT folded
assi (attr store1 < 2.464 and attr store1 > 2.364 ) 
     ((attr store1 < 8.42 and attr store1 > 8.36 ) and bondedto
      (attr store1 < 119.77  and attr store1 > 118.97 ))
6 0.1 0.1 peak 1284 volume 4.54424 ppm1 8.390 ppm2 2.414
 
! ############### n15noe.1285 NOT folded
assi (attr store1 < 8.575 and attr store1 > 8.475 ) 
     ((attr store1 < 8.416 and attr store1 > 8.356 ) and bondedto
      (attr store1 < 119.772  and attr store1 > 118.972 ))
6 0.1 0.1 peak 1285 volume 12.39185 ppm1 8.386 ppm2 8.525
 
! ############### n15noe.1286 NOT folded
assi (attr store1 < 1.886 and attr store1 > 1.786 ) 
     ((attr store1 < 8.418 and attr store1 > 8.358 ) and bondedto
      (attr store1 < 119.741  and attr store1 > 118.941 ))
6 0.1 0.1 peak 1286 volume 17.65790 ppm1 8.388 ppm2 1.836
 
! ############### n15noe.1287 NOT folded
assi (attr store1 < 1.512 and attr store1 > 1.412 ) 
     ((attr store1 < 8.417 and attr store1 > 8.357 ) and bondedto
      (attr store1 < 119.771  and attr store1 > 118.971 ))
6 0.1 0.1 peak 1287 volume 9.45130 ppm1 8.387 ppm2 1.462
 
! ############### n15noe.1288 NOT folded
assi (attr store1 < 2.348 and attr store1 > 2.248 ) 
     ((attr store1 < 8.25 and attr store1 > 8.19 ) and bondedto
      (attr store1 < 119.737  and attr store1 > 118.937 ))
6 0.1 0.1 peak 1288 volume 4.20483 ppm1 8.220 ppm2 2.298
 
! ############### n15noe.1289 NOT folded
assi (attr store1 < 2.09 and attr store1 > 1.99 ) 
     ((attr store1 < 8.233 and attr store1 > 8.173 ) and bondedto
      (attr store1 < 119.753  and attr store1 > 118.953 ))
6 0.1 0.1 peak 1289 volume 4.60732 ppm1 8.203 ppm2 2.040
 
! ############### n15noe.1290 NOT folded
assi (attr store1 < 4.232 and attr store1 > 4.132 ) 
     ((attr store1 < 8.185 and attr store1 > 8.125 ) and bondedto
      (attr store1 < 119.731  and attr store1 > 118.931 ))
6 0.1 0.1 peak 1290 volume 4.56909 ppm1 8.155 ppm2 4.182
 
! ############### n15noe.1291 NOT folded
assi (attr store1 < 4.411 and attr store1 > 4.311 ) 
     ((attr store1 < 8.058 and attr store1 > 7.998 ) and bondedto
      (attr store1 < 119.753  and attr store1 > 118.953 ))
6 0.1 0.1 peak 1291 volume 3.96070 ppm1 8.028 ppm2 4.361
 
! ############### n15noe.1292 NOT folded
assi (attr store1 < 1.786 and attr store1 > 1.686 ) 
     ((attr store1 < 8.032 and attr store1 > 7.972 ) and bondedto
      (attr store1 < 119.758  and attr store1 > 118.958 ))
6 0.1 0.1 peak 1292 volume 4.21834 ppm1 8.002 ppm2 1.736
 
! ############### n15noe.1293 NOT folded
assi (attr store1 < 1.368 and attr store1 > 1.268 ) 
     ((attr store1 < 7.875 and attr store1 > 7.815 ) and bondedto
      (attr store1 < 119.752  and attr store1 > 118.952 ))
6 0.1 0.1 peak 1293 volume 4.31607 ppm1 7.845 ppm2 1.318
 
! ############### n15noe.1294 NOT folded
assi (attr store1 < 1.546 and attr store1 > 1.446 ) 
     ((attr store1 < 7.534 and attr store1 > 7.474 ) and bondedto
      (attr store1 < 119.747  and attr store1 > 118.947 ))
6 0.1 0.1 peak 1294 volume 11.66690 ppm1 7.504 ppm2 1.496
 
! ############### n15noe.1295 NOT folded
assi (attr store1 < 1.087 and attr store1 > 0.987 ) 
     ((attr store1 < 7.535 and attr store1 > 7.475 ) and bondedto
      (attr store1 < 119.744  and attr store1 > 118.944 ))
6 0.1 0.1 peak 1295 volume 6.13013 ppm1 7.505 ppm2 1.037
 
! ############### n15noe.1296 NOT folded
assi (attr store1 < 9.22 and attr store1 > 9.12 ) 
     ((attr store1 < 7.53 and attr store1 > 7.47 ) and bondedto
      (attr store1 < 119.692  and attr store1 > 118.892 ))
6 0.1 0.1 peak 1296 volume 3.75526 ppm1 7.500 ppm2 9.170
 
! ############### n15noe.1297 NOT folded
assi ( resid 30   and name HD1%  )
     ( resid 122  and name HN    )
6 0.1 0.1 peak 1297 volume 14.20894 ppm1 7.501 ppm2 0.948
 
! ############### n15noe.1298 NOT folded
assi (attr store1 < 0.92 and attr store1 > 0.82 ) 
     ((attr store1 < 7.53 and attr store1 > 7.47 ) and bondedto
      (attr store1 < 119.749  and attr store1 > 118.949 ))
6 0.1 0.1 peak 1298 volume 25.57689 ppm1 7.500 ppm2 0.870
 
! ############### n15noe.1299 NOT folded
assi (attr store1 < 8.027 and attr store1 > 7.927 ) 
     ((attr store1 < 7.527 and attr store1 > 7.467 ) and bondedto
      (attr store1 < 119.746  and attr store1 > 118.946 ))
6 0.1 0.1 peak 1299 volume 19.62610 ppm1 7.497 ppm2 7.977
 
! ############### n15noe.1300 NOT folded
assi (attr store1 < 4.387 and attr store1 > 4.287 ) 
     ((attr store1 < 7.525 and attr store1 > 7.465 ) and bondedto
      (attr store1 < 119.758  and attr store1 > 118.958 ))
6 0.1 0.1 peak 1300 volume 7.86223 ppm1 7.495 ppm2 4.337
 
! ############### n15noe.1301 NOT folded
assi (attr store1 < 3.892 and attr store1 > 3.792 ) 
     ((attr store1 < 7.527 and attr store1 > 7.467 ) and bondedto
      (attr store1 < 119.746  and attr store1 > 118.946 ))
6 0.1 0.1 peak 1301 volume 17.88278 ppm1 7.497 ppm2 3.842
 
! ############### n15noe.1302 NOT folded
assi (attr store1 < 3.781 and attr store1 > 3.681 ) 
     ((attr store1 < 7.524 and attr store1 > 7.464 ) and bondedto
      (attr store1 < 119.741  and attr store1 > 118.941 ))
6 0.1 0.1 peak 1302 volume 3.63540 ppm1 7.494 ppm2 3.731
 
! ############### n15noe.1303 NOT folded
assi (attr store1 < 3.546 and attr store1 > 3.446 ) 
     ((attr store1 < 7.524 and attr store1 > 7.464 ) and bondedto
      (attr store1 < 119.71  and attr store1 > 118.91 ))
6 0.1 0.1 peak 1303 volume 3.76792 ppm1 7.494 ppm2 3.496
 
! ############### n15noe.1304 NOT folded
assi (attr store1 < 2.109 and attr store1 > 2.009 ) 
     ((attr store1 < 7.526 and attr store1 > 7.466 ) and bondedto
      (attr store1 < 119.744  and attr store1 > 118.944 ))
6 0.1 0.1 peak 1304 volume 19.88477 ppm1 7.496 ppm2 2.059
 
! ############### n15noe.1305 NOT folded
assi (attr store1 < 1.699 and attr store1 > 1.599 ) 
     ((attr store1 < 7.526 and attr store1 > 7.466 ) and bondedto
      (attr store1 < 119.717  and attr store1 > 118.917 ))
6 0.1 0.1 peak 1305 volume 14.81874 ppm1 7.496 ppm2 1.649
 
! ############### n15noe.1306 NOT folded
assi (attr store1 < 1.608 and attr store1 > 1.508 ) 
     ((attr store1 < 7.525 and attr store1 > 7.465 ) and bondedto
      (attr store1 < 119.731  and attr store1 > 118.931 ))
6 0.1 0.1 peak 1306 volume 8.77314 ppm1 7.495 ppm2 1.558
 
! ############### n15noe.1307 NOT folded
assi (attr store1 < 1.544 and attr store1 > 1.444 ) 
     ((attr store1 < 7.527 and attr store1 > 7.467 ) and bondedto
      (attr store1 < 119.74  and attr store1 > 118.94 ))
6 0.1 0.1 peak 1307 volume 12.44036 ppm1 7.497 ppm2 1.494
 
! ############### n15noe.1308 NOT folded
assi (attr store1 < 1.452 and attr store1 > 1.352 ) 
     ((attr store1 < 7.526 and attr store1 > 7.466 ) and bondedto
      (attr store1 < 119.755  and attr store1 > 118.955 ))
6 0.1 0.1 peak 1308 volume 48.78165 ppm1 7.496 ppm2 1.402
 
! ############### n15noe.1309 NOT folded
assi (attr store1 < 1.171 and attr store1 > 1.071 ) 
     ((attr store1 < 7.525 and attr store1 > 7.465 ) and bondedto
      (attr store1 < 119.753  and attr store1 > 118.953 ))
6 0.1 0.1 peak 1309 volume 7.38725 ppm1 7.495 ppm2 1.121
 
! ############### n15noe.1310 NOT folded
assi (attr store1 < 1.111 and attr store1 > 1.011 ) 
     ((attr store1 < 7.525 and attr store1 > 7.465 ) and bondedto
      (attr store1 < 119.74  and attr store1 > 118.94 ))
6 0.1 0.1 peak 1310 volume 7.89574 ppm1 7.495 ppm2 1.061
 
! ############### n15noe.1311 NOT folded
assi (attr store1 < 4.312 and attr store1 > 4.212 ) 
     ((attr store1 < 8.971 and attr store1 > 8.911 ) and bondedto
      (attr store1 < 119.633  and attr store1 > 118.833 ))
6 0.1 0.1 peak 1311 volume 3.86237 ppm1 8.941 ppm2 4.262
 
! ############### n15noe.1312 NOT folded
assi (attr store1 < 4.297 and attr store1 > 4.197 ) 
     ((attr store1 < 8.96 and attr store1 > 8.9 ) and bondedto
      (attr store1 < 119.657  and attr store1 > 118.857 ))
6 0.1 0.1 peak 1312 volume 3.99552 ppm1 8.930 ppm2 4.247
 
! ############### n15noe.1313 NOT folded
assi (attr store1 < 4.22 and attr store1 > 4.12 ) 
     ((attr store1 < 8.961 and attr store1 > 8.901 ) and bondedto
      (attr store1 < 119.623  and attr store1 > 118.823 ))
6 0.1 0.1 peak 1313 volume 6.13906 ppm1 8.931 ppm2 4.170
 
! ############### n15noe.1314 NOT folded
assi (attr store1 < 3.859 and attr store1 > 3.759 ) 
     ((attr store1 < 8.96 and attr store1 > 8.9 ) and bondedto
      (attr store1 < 119.603  and attr store1 > 118.803 ))
6 0.1 0.1 peak 1314 volume 10.51340 ppm1 8.930 ppm2 3.809
 
! ############### n15noe.1315 NOT folded
assi (attr store1 < 1.707 and attr store1 > 1.607 ) 
     ((attr store1 < 8.96 and attr store1 > 8.9 ) and bondedto
      (attr store1 < 119.65  and attr store1 > 118.85 ))
6 0.1 0.1 peak 1315 volume 4.73881 ppm1 8.930 ppm2 1.657
 
! ############### n15noe.1316 NOT folded
assi (attr store1 < 7.458 and attr store1 > 7.358 ) 
     ((attr store1 < 8.957 and attr store1 > 8.897 ) and bondedto
      (attr store1 < 119.627  and attr store1 > 118.827 ))
6 0.1 0.1 peak 1316 volume 10.60967 ppm1 8.927 ppm2 7.408
 
! ############### n15noe.1317 NOT folded
assi (attr store1 < 2.46 and attr store1 > 2.36 ) 
     ((attr store1 < 8.956 and attr store1 > 8.896 ) and bondedto
      (attr store1 < 119.606  and attr store1 > 118.806 ))
6 0.1 0.1 peak 1317 volume 7.05738 ppm1 8.926 ppm2 2.410
 
! ############### n15noe.1318 NOT folded
assi (attr store1 < 1.612 and attr store1 > 1.512 ) 
     ((attr store1 < 8.957 and attr store1 > 8.897 ) and bondedto
      (attr store1 < 119.616  and attr store1 > 118.816 ))
6 0.1 0.1 peak 1318 volume 6.74172 ppm1 8.927 ppm2 1.562
 
! ############### n15noe.1319 NOT folded
assi (attr store1 < 2.306 and attr store1 > 2.206 ) 
     ((attr store1 < 8.11 and attr store1 > 8.05 ) and bondedto
      (attr store1 < 119.66  and attr store1 > 118.86 ))
6 0.1 0.1 peak 1319 volume 4.36378 ppm1 8.080 ppm2 2.256
 
! ############### n15noe.1320 NOT folded
assi (attr store1 < 4.452 and attr store1 > 4.352 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 119.618  and attr store1 > 118.818 ))
6 0.1 0.1 peak 1320 volume 7.83681 ppm1 8.005 ppm2 4.402
 
! ############### n15noe.1321 NOT folded
assi (attr store1 < 4.383 and attr store1 > 4.283 ) 
     ((attr store1 < 8.032 and attr store1 > 7.972 ) and bondedto
      (attr store1 < 119.636  and attr store1 > 118.836 ))
6 0.1 0.1 peak 1321 volume 4.31767 ppm1 8.002 ppm2 4.333
 
! ############### n15noe.1322 NOT folded
assi (attr store1 < 2.552 and attr store1 > 2.452 ) 
     ((attr store1 < 8.034 and attr store1 > 7.974 ) and bondedto
      (attr store1 < 119.613  and attr store1 > 118.813 ))
6 0.1 0.1 peak 1322 volume 10.80112 ppm1 8.004 ppm2 2.502
 
! ############### n15noe.1323 NOT folded
assi (attr store1 < 4.066 and attr store1 > 3.966 ) 
     ((attr store1 < 8.028 and attr store1 > 7.968 ) and bondedto
      (attr store1 < 119.62  and attr store1 > 118.82 ))
6 0.1 0.1 peak 1323 volume 6.08937 ppm1 7.998 ppm2 4.016
 
! ############### n15noe.1324 NOT folded
assi (attr store1 < 4.732 and attr store1 > 4.632 ) 
     ((attr store1 < 7.86 and attr store1 > 7.8 ) and bondedto
      (attr store1 < 119.613  and attr store1 > 118.813 ))
6 0.1 0.1 peak 1324 volume 6.66287 ppm1 7.830 ppm2 4.682
 
! ############### n15noe.1325 NOT folded
assi (attr store1 < 1.361 and attr store1 > 1.261 ) 
     ((attr store1 < 7.863 and attr store1 > 7.803 ) and bondedto
      (attr store1 < 119.617  and attr store1 > 118.817 ))
6 0.1 0.1 peak 1325 volume 4.17503 ppm1 7.833 ppm2 1.311
 
! ############### n15noe.1326 NOT folded
assi (attr store1 < 1.771 and attr store1 > 1.671 ) 
     ((attr store1 < 7.856 and attr store1 > 7.796 ) and bondedto
      (attr store1 < 119.655  and attr store1 > 118.855 ))
6 0.1 0.1 peak 1326 volume 5.19760 ppm1 7.826 ppm2 1.721
 
! ############### n15noe.1327 NOT folded
assi (attr store1 < 8.755 and attr store1 > 8.655 ) 
     ((attr store1 < 7.646 and attr store1 > 7.586 ) and bondedto
      (attr store1 < 119.628  and attr store1 > 118.828 ))
6 0.1 0.1 peak 1327 volume 3.55874 ppm1 7.616 ppm2 8.705
 
! ############### n15noe.1328 NOT folded
assi (attr store1 < 2.732 and attr store1 > 2.632 ) 
     ((attr store1 < 7.648 and attr store1 > 7.588 ) and bondedto
      (attr store1 < 119.646  and attr store1 > 118.846 ))
6 0.1 0.1 peak 1328 volume 4.35908 ppm1 7.618 ppm2 2.682
 
! ############### n15noe.1329 NOT folded
assi (attr store1 < 1.61 and attr store1 > 1.51 ) 
     ((attr store1 < 8.964 and attr store1 > 8.904 ) and bondedto
      (attr store1 < 119.584  and attr store1 > 118.784 ))
6 0.1 0.1 peak 1329 volume 6.83965 ppm1 8.934 ppm2 1.560
 
! ############### n15noe.1330 NOT folded
assi (attr store1 < 1.293 and attr store1 > 1.193 ) 
     ((attr store1 < 8.963 and attr store1 > 8.903 ) and bondedto
      (attr store1 < 119.57  and attr store1 > 118.77 ))
6 0.1 0.1 peak 1330 volume 4.23534 ppm1 8.933 ppm2 1.243
 
! ############### n15noe.1331 NOT folded
assi (attr store1 < 8.499 and attr store1 > 8.399 ) 
     ((attr store1 < 8.959 and attr store1 > 8.899 ) and bondedto
      (attr store1 < 119.581  and attr store1 > 118.781 ))
6 0.1 0.1 peak 1331 volume 12.88853 ppm1 8.929 ppm2 8.449
 
! ############### n15noe.1332 NOT folded
assi (attr store1 < 1.941 and attr store1 > 1.841 ) 
     ((attr store1 < 8.96 and attr store1 > 8.9 ) and bondedto
      (attr store1 < 119.594  and attr store1 > 118.794 ))
6 0.1 0.1 peak 1332 volume 22.52578 ppm1 8.930 ppm2 1.891
 
! ############### n15noe.1333 NOT folded
assi (attr store1 < 1.468 and attr store1 > 1.368 ) 
     ((attr store1 < 8.96 and attr store1 > 8.9 ) and bondedto
      (attr store1 < 119.585  and attr store1 > 118.785 ))
6 0.1 0.1 peak 1333 volume 14.02155 ppm1 8.930 ppm2 1.418
 
! ############### n15noe.1334 NOT folded
assi (attr store1 < 1.101 and attr store1 > 1.001 ) 
     ((attr store1 < 8.96 and attr store1 > 8.9 ) and bondedto
      (attr store1 < 119.589  and attr store1 > 118.789 ))
6 0.1 0.1 peak 1334 volume 9.61642 ppm1 8.930 ppm2 1.051
 
! ############### n15noe.1335 NOT folded
assi (attr store1 < 0.947 and attr store1 > 0.847 ) 
     ((attr store1 < 8.96 and attr store1 > 8.9 ) and bondedto
      (attr store1 < 119.577  and attr store1 > 118.777 ))
6 0.1 0.1 peak 1335 volume 27.99356 ppm1 8.930 ppm2 0.897
 
! ############### n15noe.1336 NOT folded
assi (attr store1 < 0.87 and attr store1 > 0.77 ) 
     ((attr store1 < 8.96 and attr store1 > 8.9 ) and bondedto
      (attr store1 < 119.589  and attr store1 > 118.789 ))
6 0.1 0.1 peak 1336 volume 14.90183 ppm1 8.930 ppm2 0.820
 
! ############### n15noe.1337 NOT folded
assi (attr store1 < 3.765 and attr store1 > 3.665 ) 
     ((attr store1 < 8.957 and attr store1 > 8.897 ) and bondedto
      (attr store1 < 119.583  and attr store1 > 118.783 ))
6 0.1 0.1 peak 1337 volume 6.07489 ppm1 8.927 ppm2 3.715
 
! ############### n15noe.1338 NOT folded
assi (attr store1 < 8.533 and attr store1 > 8.433 ) 
     ((attr store1 < 8.158 and attr store1 > 8.098 ) and bondedto
      (attr store1 < 119.533  and attr store1 > 118.733 ))
6 0.1 0.1 peak 1338 volume 8.07488 ppm1 8.128 ppm2 8.483
 
! ############### n15noe.1339 NOT folded
assi (attr store1 < 8.402 and attr store1 > 8.302 ) 
     ((attr store1 < 8.157 and attr store1 > 8.097 ) and bondedto
      (attr store1 < 119.539  and attr store1 > 118.739 ))
6 0.1 0.1 peak 1339 volume 12.87422 ppm1 8.127 ppm2 8.352
 
! ############### n15noe.1340 NOT folded
assi (attr store1 < 2.347 and attr store1 > 2.247 ) 
     ((attr store1 < 8.158 and attr store1 > 8.098 ) and bondedto
      (attr store1 < 119.543  and attr store1 > 118.743 ))
6 0.1 0.1 peak 1340 volume 21.46542 ppm1 8.128 ppm2 2.297
 
! ############### n15noe.1341 NOT folded
assi (attr store1 < 2.187 and attr store1 > 2.087 ) 
     ((attr store1 < 8.157 and attr store1 > 8.097 ) and bondedto
      (attr store1 < 119.547  and attr store1 > 118.747 ))
6 0.1 0.1 peak 1341 volume 15.74499 ppm1 8.127 ppm2 2.137
 
! ############### n15noe.1342 NOT folded
assi (attr store1 < 2.109 and attr store1 > 2.009 ) 
     ((attr store1 < 8.157 and attr store1 > 8.097 ) and bondedto
      (attr store1 < 119.526  and attr store1 > 118.726 ))
6 0.1 0.1 peak 1342 volume 25.95038 ppm1 8.127 ppm2 2.059
 
! ############### n15noe.1343 NOT folded
assi (attr store1 < 2.028 and attr store1 > 1.928 ) 
     ((attr store1 < 8.158 and attr store1 > 8.098 ) and bondedto
      (attr store1 < 119.556  and attr store1 > 118.756 ))
6 0.1 0.1 peak 1343 volume 6.79649 ppm1 8.128 ppm2 1.978
 
! ############### n15noe.1344 NOT folded
assi (attr store1 < 4.448 and attr store1 > 4.348 ) 
     ((attr store1 < 8.067 and attr store1 > 8.007 ) and bondedto
      (attr store1 < 119.524  and attr store1 > 118.724 ))
6 0.1 0.1 peak 1344 volume 3.86377 ppm1 8.037 ppm2 4.398
 
! ############### n15noe.1345 NOT folded
assi (attr store1 < 4.368 and attr store1 > 4.268 ) 
     ((attr store1 < 8.047 and attr store1 > 7.987 ) and bondedto
      (attr store1 < 119.56  and attr store1 > 118.76 ))
6 0.1 0.1 peak 1345 volume 4.84118 ppm1 8.017 ppm2 4.318
 
! ############### n15noe.1346 NOT folded
assi (attr store1 < 4.285 and attr store1 > 4.185 ) 
     ((attr store1 < 8.046 and attr store1 > 7.986 ) and bondedto
      (attr store1 < 119.563  and attr store1 > 118.763 ))
6 0.1 0.1 peak 1346 volume 8.43451 ppm1 8.016 ppm2 4.235
 
! ############### n15noe.1347 NOT folded
assi (attr store1 < 8.563 and attr store1 > 8.463 ) 
     ((attr store1 < 8.036 and attr store1 > 7.976 ) and bondedto
      (attr store1 < 119.589  and attr store1 > 118.789 ))
6 0.1 0.1 peak 1347 volume 11.56201 ppm1 8.006 ppm2 8.513
 
! ############### n15noe.1348 NOT folded
assi (attr store1 < 4.282 and attr store1 > 4.182 ) 
     ((attr store1 < 8.036 and attr store1 > 7.976 ) and bondedto
      (attr store1 < 119.574  and attr store1 > 118.774 ))
6 0.1 0.1 peak 1348 volume 8.98761 ppm1 8.006 ppm2 4.232
 
! ############### n15noe.1349 NOT folded
assi (attr store1 < 4.068 and attr store1 > 3.968 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 119.583  and attr store1 > 118.783 ))
6 0.1 0.1 peak 1349 volume 6.12162 ppm1 8.005 ppm2 4.018
 
! ############### n15noe.1350 NOT folded
assi (attr store1 < 2.849 and attr store1 > 2.749 ) 
     ((attr store1 < 8.036 and attr store1 > 7.976 ) and bondedto
      (attr store1 < 119.585  and attr store1 > 118.785 ))
6 0.1 0.1 peak 1350 volume 10.03304 ppm1 8.006 ppm2 2.799
 
! ############### n15noe.1351 NOT folded
assi (attr store1 < 2.188 and attr store1 > 2.088 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 119.567  and attr store1 > 118.767 ))
6 0.1 0.1 peak 1351 volume 7.77501 ppm1 8.005 ppm2 2.138
 
! ############### n15noe.1352 NOT folded
assi (attr store1 < 2.112 and attr store1 > 2.012 ) 
     ((attr store1 < 8.038 and attr store1 > 7.978 ) and bondedto
      (attr store1 < 119.574  and attr store1 > 118.774 ))
6 0.1 0.1 peak 1352 volume 16.64242 ppm1 8.008 ppm2 2.062
 
! ############### n15noe.1353 NOT folded
assi (attr store1 < 1.695 and attr store1 > 1.595 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 119.578  and attr store1 > 118.778 ))
6 0.1 0.1 peak 1353 volume 3.62914 ppm1 8.005 ppm2 1.645
 
! ############### n15noe.1354 NOT folded
assi (attr store1 < 2.811 and attr store1 > 2.711 ) 
     ((attr store1 < 7.858 and attr store1 > 7.798 ) and bondedto
      (attr store1 < 119.57  and attr store1 > 118.77 ))
6 0.1 0.1 peak 1354 volume 17.59305 ppm1 7.828 ppm2 2.761
 
! ############### n15noe.1355 NOT folded
assi (attr store1 < 2.718 and attr store1 > 2.618 ) 
     ((attr store1 < 7.859 and attr store1 > 7.799 ) and bondedto
      (attr store1 < 119.566  and attr store1 > 118.766 ))
6 0.1 0.1 peak 1355 volume 13.44872 ppm1 7.829 ppm2 2.668
 
! ############### n15noe.1356 NOT folded
assi (attr store1 < 2.5 and attr store1 > 2.4 ) 
     ((attr store1 < 7.858 and attr store1 > 7.798 ) and bondedto
      (attr store1 < 119.56  and attr store1 > 118.76 ))
6 0.1 0.1 peak 1356 volume 31.47931 ppm1 7.828 ppm2 2.450
 
! ############### n15noe.1357 NOT folded
assi (attr store1 < 2.216 and attr store1 > 2.116 ) 
     ((attr store1 < 7.859 and attr store1 > 7.799 ) and bondedto
      (attr store1 < 119.558  and attr store1 > 118.758 ))
6 0.1 0.1 peak 1357 volume 46.06462 ppm1 7.829 ppm2 2.166
 
! ############### n15noe.1358 NOT folded
assi (attr store1 < 2.127 and attr store1 > 2.027 ) 
     ((attr store1 < 7.86 and attr store1 > 7.8 ) and bondedto
      (attr store1 < 119.565  and attr store1 > 118.765 ))
6 0.1 0.1 peak 1358 volume 14.66501 ppm1 7.830 ppm2 2.077
 
! ############### n15noe.1359 NOT folded
assi (attr store1 < 2.056 and attr store1 > 1.956 ) 
     ((attr store1 < 7.859 and attr store1 > 7.799 ) and bondedto
      (attr store1 < 119.575  and attr store1 > 118.775 ))
6 0.1 0.1 peak 1359 volume 30.81029 ppm1 7.829 ppm2 2.006
 
! ############### n15noe.1360 NOT folded
assi (attr store1 < 1.687 and attr store1 > 1.587 ) 
     ((attr store1 < 7.858 and attr store1 > 7.798 ) and bondedto
      (attr store1 < 119.566  and attr store1 > 118.766 ))
6 0.1 0.1 peak 1360 volume 9.76114 ppm1 7.828 ppm2 1.637
 
! ############### n15noe.1361 NOT folded
assi (attr store1 < 0.991 and attr store1 > 0.891 ) 
     ((attr store1 < 7.861 and attr store1 > 7.801 ) and bondedto
      (attr store1 < 119.577  and attr store1 > 118.777 ))
6 0.1 0.1 peak 1361 volume 7.11829 ppm1 7.831 ppm2 0.941
 
! ############### n15noe.1362 NOT folded
assi (attr store1 < 4.332 and attr store1 > 4.232 ) 
     ((attr store1 < 7.857 and attr store1 > 7.797 ) and bondedto
      (attr store1 < 119.555  and attr store1 > 118.755 ))
6 0.1 0.1 peak 1362 volume 37.40705 ppm1 7.827 ppm2 4.282
 
! ############### n15noe.1363 NOT folded
assi (attr store1 < 4.248 and attr store1 > 4.148 ) 
     ((attr store1 < 7.856 and attr store1 > 7.796 ) and bondedto
      (attr store1 < 119.551  and attr store1 > 118.751 ))
6 0.1 0.1 peak 1363 volume 31.30690 ppm1 7.826 ppm2 4.198
 
! ############### n15noe.1364 NOT folded
assi (attr store1 < 4.047 and attr store1 > 3.947 ) 
     ((attr store1 < 7.855 and attr store1 > 7.795 ) and bondedto
      (attr store1 < 119.562  and attr store1 > 118.762 ))
6 0.1 0.1 peak 1364 volume 12.54324 ppm1 7.825 ppm2 3.997
 
! ############### n15noe.1365 NOT folded
assi (attr store1 < 4.252 and attr store1 > 4.152 ) 
     ((attr store1 < 7.652 and attr store1 > 7.592 ) and bondedto
      (attr store1 < 119.556  and attr store1 > 118.756 ))
6 0.1 0.1 peak 1365 volume 6.06065 ppm1 7.622 ppm2 4.202
 
! ############### n15noe.1366 NOT folded
assi (attr store1 < 4.031 and attr store1 > 3.931 ) 
     ((attr store1 < 7.65 and attr store1 > 7.59 ) and bondedto
      (attr store1 < 119.554  and attr store1 > 118.754 ))
6 0.1 0.1 peak 1366 volume 7.18605 ppm1 7.620 ppm2 3.981
 
! ############### n15noe.1367 NOT folded
assi (attr store1 < 1.916 and attr store1 > 1.816 ) 
     ((attr store1 < 7.651 and attr store1 > 7.591 ) and bondedto
      (attr store1 < 119.593  and attr store1 > 118.793 ))
6 0.1 0.1 peak 1367 volume 5.22270 ppm1 7.621 ppm2 1.866
 
! ############### n15noe.1368 NOT folded
assi (attr store1 < 1.573 and attr store1 > 1.473 ) 
     ((attr store1 < 7.65 and attr store1 > 7.59 ) and bondedto
      (attr store1 < 119.561  and attr store1 > 118.761 ))
6 0.1 0.1 peak 1368 volume 6.72414 ppm1 7.620 ppm2 1.523
 
! ############### n15noe.1369 NOT folded
assi (attr store1 < 0.956 and attr store1 > 0.856 ) 
     ((attr store1 < 7.651 and attr store1 > 7.591 ) and bondedto
      (attr store1 < 119.539  and attr store1 > 118.739 ))
6 0.1 0.1 peak 1369 volume 14.76312 ppm1 7.621 ppm2 0.906
 
! ############### n15noe.1370 NOT folded
assi (attr store1 < 8.373 and attr store1 > 8.273 ) 
     ((attr store1 < 7.648 and attr store1 > 7.588 ) and bondedto
      (attr store1 < 119.539  and attr store1 > 118.739 ))
6 0.1 0.1 peak 1370 volume 16.27264 ppm1 7.618 ppm2 8.323
 
! ############### n15noe.1371 NOT folded
assi (attr store1 < 7.321 and attr store1 > 7.221 ) 
     ((attr store1 < 7.647 and attr store1 > 7.587 ) and bondedto
      (attr store1 < 119.539  and attr store1 > 118.739 ))
6 0.1 0.1 peak 1371 volume 17.83544 ppm1 7.617 ppm2 7.271
 
! ############### n15noe.1372 NOT folded
assi (attr store1 < 4.513 and attr store1 > 4.413 ) 
     ((attr store1 < 7.647 and attr store1 > 7.587 ) and bondedto
      (attr store1 < 119.551  and attr store1 > 118.751 ))
6 0.1 0.1 peak 1372 volume 13.24960 ppm1 7.617 ppm2 4.463
 
! ############### n15noe.1373 NOT folded
assi (attr store1 < 4.232 and attr store1 > 4.132 ) 
     ((attr store1 < 7.645 and attr store1 > 7.585 ) and bondedto
      (attr store1 < 119.548  and attr store1 > 118.748 ))
6 0.1 0.1 peak 1373 volume 6.35886 ppm1 7.615 ppm2 4.182
 
! ############### n15noe.1374 NOT folded
assi (attr store1 < 4.151 and attr store1 > 4.051 ) 
     ((attr store1 < 7.649 and attr store1 > 7.589 ) and bondedto
      (attr store1 < 119.531  and attr store1 > 118.731 ))
6 0.1 0.1 peak 1374 volume 5.25216 ppm1 7.619 ppm2 4.101
 
! ############### n15noe.1375 NOT folded
assi (attr store1 < 2.94 and attr store1 > 2.84 ) 
     ((attr store1 < 7.647 and attr store1 > 7.587 ) and bondedto
      (attr store1 < 119.529  and attr store1 > 118.729 ))
6 0.1 0.1 peak 1375 volume 16.95224 ppm1 7.617 ppm2 2.890
 
! ############### n15noe.1376 NOT folded
assi (attr store1 < 2.648 and attr store1 > 2.548 ) 
     ((attr store1 < 7.647 and attr store1 > 7.587 ) and bondedto
      (attr store1 < 119.548  and attr store1 > 118.748 ))
6 0.1 0.1 peak 1376 volume 13.68401 ppm1 7.617 ppm2 2.598
 
! ############### n15noe.1377 NOT folded
assi (attr store1 < 2.222 and attr store1 > 2.122 ) 
     ((attr store1 < 7.648 and attr store1 > 7.588 ) and bondedto
      (attr store1 < 119.554  and attr store1 > 118.754 ))
6 0.1 0.1 peak 1377 volume 8.77973 ppm1 7.618 ppm2 2.172
 
! ############### n15noe.1378 NOT folded
assi (attr store1 < 2.145 and attr store1 > 2.045 ) 
     ((attr store1 < 7.645 and attr store1 > 7.585 ) and bondedto
      (attr store1 < 119.517  and attr store1 > 118.717 ))
6 0.1 0.1 peak 1378 volume 4.71363 ppm1 7.615 ppm2 2.095
 
! ############### n15noe.1379 NOT folded
assi ( resid 55  and name HD1%)
     ( resid 85  and name HN  )
6 0.1 0.1 peak 1379 volume 8.20485 ppm1 7.617 ppm2 1.034
 
! ############### n15noe.1380 NOT folded
assi (attr store1 < 4.311 and attr store1 > 4.211 ) 
     ((attr store1 < 7.641 and attr store1 > 7.581 ) and bondedto
      (attr store1 < 119.556  and attr store1 > 118.756 ))
6 0.1 0.1 peak 1380 volume 3.72877 ppm1 7.611 ppm2 4.261
 
! ############### n15noe.1381 NOT folded
assi (attr store1 < 1.713 and attr store1 > 1.613 ) 
     ((attr store1 < 7.638 and attr store1 > 7.578 ) and bondedto
      (attr store1 < 119.527  and attr store1 > 118.727 ))
6 0.1 0.1 peak 1381 volume 4.57140 ppm1 7.608 ppm2 1.663
 
! ############### n15noe.1382 NOT folded
assi (attr store1 < 1.207 and attr store1 > 1.107 ) 
     ((attr store1 < 8.636 and attr store1 > 8.576 ) and bondedto
      (attr store1 < 119.446  and attr store1 > 118.646 ))
6 0.1 0.1 peak 1382 volume 4.90958 ppm1 8.606 ppm2 1.157
 
! ############### n15noe.1383 NOT folded
assi (attr store1 < 1.158 and attr store1 > 1.058 ) 
     ((attr store1 < 8.614 and attr store1 > 8.554 ) and bondedto
      (attr store1 < 119.43  and attr store1 > 118.63 ))
6 0.1 0.1 peak 1383 volume 7.30589 ppm1 8.584 ppm2 1.108
 
! ############### n15noe.1384 NOT folded
assi (attr store1 < 4.542 and attr store1 > 4.442 ) 
     ((attr store1 < 8.606 and attr store1 > 8.546 ) and bondedto
      (attr store1 < 119.432  and attr store1 > 118.632 ))
6 0.1 0.1 peak 1384 volume 12.96468 ppm1 8.576 ppm2 4.492
 
! ############### n15noe.1385 NOT folded
assi (attr store1 < 4.174 and attr store1 > 4.074 ) 
     ((attr store1 < 8.607 and attr store1 > 8.547 ) and bondedto
      (attr store1 < 119.428  and attr store1 > 118.628 ))
6 0.1 0.1 peak 1385 volume 12.87984 ppm1 8.577 ppm2 4.124
 
! ############### n15noe.1386 NOT folded
assi (attr store1 < 2.725 and attr store1 > 2.625 ) 
     ((attr store1 < 8.61 and attr store1 > 8.55 ) and bondedto
      (attr store1 < 119.438  and attr store1 > 118.638 ))
6 0.1 0.1 peak 1386 volume 8.12974 ppm1 8.580 ppm2 2.675
 
! ############### n15noe.1387 NOT folded
assi (attr store1 < 2.467 and attr store1 > 2.367 ) 
     ((attr store1 < 8.602 and attr store1 > 8.542 ) and bondedto
      (attr store1 < 119.429  and attr store1 > 118.629 ))
6 0.1 0.1 peak 1387 volume 8.69796 ppm1 8.572 ppm2 2.417
 
! ############### n15noe.1388 NOT folded
assi (attr store1 < 1.197 and attr store1 > 1.097 ) 
     ((attr store1 < 8.602 and attr store1 > 8.542 ) and bondedto
      (attr store1 < 119.458  and attr store1 > 118.658 ))
6 0.1 0.1 peak 1388 volume 9.08558 ppm1 8.572 ppm2 1.147
 
! ############### n15noe.1389 NOT folded
assi (attr store1 < 2.829 and attr store1 > 2.729 ) 
     ((attr store1 < 8.597 and attr store1 > 8.537 ) and bondedto
      (attr store1 < 119.415  and attr store1 > 118.615 ))
6 0.1 0.1 peak 1389 volume 5.02416 ppm1 8.567 ppm2 2.779
 
! ############### n15noe.1390 NOT folded
assi (attr store1 < 1.139 and attr store1 > 1.039 ) 
     ((attr store1 < 8.594 and attr store1 > 8.534 ) and bondedto
      (attr store1 < 119.441  and attr store1 > 118.641 ))
6 0.1 0.1 peak 1390 volume 5.47117 ppm1 8.564 ppm2 1.089
 
! ############### n15noe.1391 NOT folded
assi (attr store1 < 1.208 and attr store1 > 1.108 ) 
     ((attr store1 < 8.574 and attr store1 > 8.514 ) and bondedto
      (attr store1 < 119.431  and attr store1 > 118.631 ))
6 0.1 0.1 peak 1391 volume 3.90943 ppm1 8.544 ppm2 1.158
 
! ############### n15noe.1392 NOT folded
assi (attr store1 < 1.962 and attr store1 > 1.862 ) 
     ((attr store1 < 8.162 and attr store1 > 8.102 ) and bondedto
      (attr store1 < 119.458  and attr store1 > 118.658 ))
6 0.1 0.1 peak 1392 volume 5.95566 ppm1 8.132 ppm2 1.912
 
! ############### n15noe.1393 NOT folded
assi (attr store1 < 4.11 and attr store1 > 4.01 ) 
     ((attr store1 < 8.157 and attr store1 > 8.097 ) and bondedto
      (attr store1 < 119.469  and attr store1 > 118.669 ))
6 0.1 0.1 peak 1393 volume 18.12881 ppm1 8.127 ppm2 4.060
 
! ############### n15noe.1394 NOT folded
assi (attr store1 < 3.658 and attr store1 > 3.558 ) 
     ((attr store1 < 8.158 and attr store1 > 8.098 ) and bondedto
      (attr store1 < 119.463  and attr store1 > 118.663 ))
6 0.1 0.1 peak 1394 volume 6.60564 ppm1 8.128 ppm2 3.608
 
! ############### n15noe.1395 NOT folded
assi (attr store1 < 1.982 and attr store1 > 1.882 ) 
     ((attr store1 < 8.158 and attr store1 > 8.098 ) and bondedto
      (attr store1 < 119.444  and attr store1 > 118.644 ))
6 0.1 0.1 peak 1395 volume 5.88342 ppm1 8.128 ppm2 1.932
 
! ############### n15noe.1396 NOT folded
assi (attr store1 < 1.173 and attr store1 > 1.073 ) 
     ((attr store1 < 8.158 and attr store1 > 8.098 ) and bondedto
      (attr store1 < 119.438  and attr store1 > 118.638 ))
6 0.1 0.1 peak 1396 volume 3.80380 ppm1 8.128 ppm2 1.123
 
! ############### n15noe.1397 NOT folded
assi (attr store1 < 1.093 and attr store1 > 0.993 ) 
     ((attr store1 < 8.157 and attr store1 > 8.097 ) and bondedto
      (attr store1 < 119.468  and attr store1 > 118.668 ))
6 0.1 0.1 peak 1397 volume 7.20321 ppm1 8.127 ppm2 1.043
 
! ############### n15noe.1398 NOT folded
assi (attr store1 < 1.004 and attr store1 > 0.904 ) 
     ((attr store1 < 8.16 and attr store1 > 8.1 ) and bondedto
      (attr store1 < 119.488  and attr store1 > 118.688 ))
6 0.1 0.1 peak 1398 volume 5.95502 ppm1 8.130 ppm2 0.954
 
! ############### n15noe.1399 NOT folded
assi (attr store1 < 2.296 and attr store1 > 2.196 ) 
     ((attr store1 < 7.851 and attr store1 > 7.791 ) and bondedto
      (attr store1 < 119.474  and attr store1 > 118.674 ))
6 0.1 0.1 peak 1399 volume 6.53319 ppm1 7.821 ppm2 2.246
 
! ############### n15noe.1400 NOT folded
assi (attr store1 < 6.191 and attr store1 > 6.091 ) 
     ((attr store1 < 7.648 and attr store1 > 7.588 ) and bondedto
      (attr store1 < 119.471  and attr store1 > 118.671 ))
6 0.1 0.1 peak 1400 volume 3.67998 ppm1 7.618 ppm2 6.141
 
! ############### n15noe.1401 NOT folded
assi (attr store1 < 2.463 and attr store1 > 2.363 ) 
     ((attr store1 < 8.612 and attr store1 > 8.552 ) and bondedto
      (attr store1 < 119.381  and attr store1 > 118.581 ))
6 0.1 0.1 peak 1401 volume 8.17412 ppm1 8.582 ppm2 2.413
 
! ############### n15noe.1402 NOT folded
assi (attr store1 < 4.736 and attr store1 > 4.636 ) 
     ((attr store1 < 8.607 and attr store1 > 8.547 ) and bondedto
      (attr store1 < 119.397  and attr store1 > 118.597 ))
6 0.1 0.1 peak 1402 volume 4.79191 ppm1 8.577 ppm2 4.686
 
! ############### n15noe.1403 NOT folded
assi (attr store1 < 7.283 and attr store1 > 7.183 ) 
     ((attr store1 < 8.603 and attr store1 > 8.543 ) and bondedto
      (attr store1 < 119.335  and attr store1 > 118.535 ))
6 0.1 0.1 peak 1403 volume 3.73369 ppm1 8.573 ppm2 7.233
 
! ############### n15noe.1404 NOT folded
assi (attr store1 < 2.377 and attr store1 > 2.277 ) 
     ((attr store1 < 8.6 and attr store1 > 8.54 ) and bondedto
      (attr store1 < 119.381  and attr store1 > 118.581 ))
6 0.1 0.1 peak 1404 volume 6.51573 ppm1 8.570 ppm2 2.327
 
! ############### n15noe.1405 NOT folded
assi (attr store1 < 1.904 and attr store1 > 1.804 ) 
     ((attr store1 < 8.463 and attr store1 > 8.403 ) and bondedto
      (attr store1 < 119.317  and attr store1 > 118.517 ))
6 0.1 0.1 peak 1405 volume 4.60062 ppm1 8.433 ppm2 1.854
 
! ############### n15noe.1406 NOT folded
assi (attr store1 < 1.815 and attr store1 > 1.715 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 119.362  and attr store1 > 118.562 ))
6 0.1 0.1 peak 1406 volume 4.20685 ppm1 8.368 ppm2 1.765
 
! ############### n15noe.1407 NOT folded
assi (attr store1 < 2.474 and attr store1 > 2.374 ) 
     ((attr store1 < 8.395 and attr store1 > 8.335 ) and bondedto
      (attr store1 < 119.323  and attr store1 > 118.523 ))
6 0.1 0.1 peak 1407 volume 7.75367 ppm1 8.365 ppm2 2.424
 
! ############### n15noe.1408 NOT folded
assi (attr store1 < 2.407 and attr store1 > 2.307 ) 
     ((attr store1 < 8.394 and attr store1 > 8.334 ) and bondedto
      (attr store1 < 119.338  and attr store1 > 118.538 ))
6 0.1 0.1 peak 1408 volume 7.99432 ppm1 8.364 ppm2 2.357
 
! ############### n15noe.1409 NOT folded
assi (attr store1 < 4.193 and attr store1 > 4.093 ) 
     ((attr store1 < 8.458 and attr store1 > 8.398 ) and bondedto
      (attr store1 < 119.241  and attr store1 > 118.441 ))
6 0.1 0.1 peak 1409 volume 6.21282 ppm1 8.428 ppm2 4.143
 
! ############### n15noe.1410 NOT folded
assi (attr store1 < 3.972 and attr store1 > 3.872 ) 
     ((attr store1 < 8.461 and attr store1 > 8.401 ) and bondedto
      (attr store1 < 119.256  and attr store1 > 118.456 ))
6 0.1 0.1 peak 1410 volume 8.36239 ppm1 8.431 ppm2 3.922
 
! ############### n15noe.1411 NOT folded
assi (attr store1 < 2.339 and attr store1 > 2.239 ) 
     ((attr store1 < 8.461 and attr store1 > 8.401 ) and bondedto
      (attr store1 < 119.281  and attr store1 > 118.481 ))
6 0.1 0.1 peak 1411 volume 5.22214 ppm1 8.431 ppm2 2.289
 
! ############### n15noe.1412 NOT folded
assi (attr store1 < 2.124 and attr store1 > 2.024 ) 
     ((attr store1 < 8.458 and attr store1 > 8.398 ) and bondedto
      (attr store1 < 119.271  and attr store1 > 118.471 ))
6 0.1 0.1 peak 1412 volume 5.16361 ppm1 8.428 ppm2 2.074
 
! ############### n15noe.1413 NOT folded
assi (attr store1 < 1.475 and attr store1 > 1.375 ) 
     ((attr store1 < 8.462 and attr store1 > 8.402 ) and bondedto
      (attr store1 < 119.269  and attr store1 > 118.469 ))
6 0.1 0.1 peak 1413 volume 3.94924 ppm1 8.432 ppm2 1.425
 
! ############### n15noe.1414 NOT folded
assi (attr store1 < 1.367 and attr store1 > 1.267 ) 
     ((attr store1 < 8.46 and attr store1 > 8.4 ) and bondedto
      (attr store1 < 119.278  and attr store1 > 118.478 ))
6 0.1 0.1 peak 1414 volume 13.97578 ppm1 8.430 ppm2 1.317
 
! ############### n15noe.1415 NOT folded
assi (attr store1 < 1.009 and attr store1 > 0.909 ) 
     ((attr store1 < 8.459 and attr store1 > 8.399 ) and bondedto
      (attr store1 < 119.228  and attr store1 > 118.428 ))
6 0.1 0.1 peak 1415 volume 8.60787 ppm1 8.429 ppm2 0.959
 
! ############### n15noe.1416 NOT folded
assi (attr store1 < 7.983 and attr store1 > 7.883 ) 
     ((attr store1 < 8.454 and attr store1 > 8.394 ) and bondedto
      (attr store1 < 119.273  and attr store1 > 118.473 ))
6 0.1 0.1 peak 1416 volume 27.07863 ppm1 8.424 ppm2 7.933
 
! ############### n15noe.1417 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 8.455 and attr store1 > 8.395 ) and bondedto
      (attr store1 < 119.236  and attr store1 > 118.436 ))
6 0.1 0.1 peak 1417 volume 10.56216 ppm1 8.425 ppm2 4.687
 
! ############### n15noe.1418 NOT folded
assi (attr store1 < 4.342 and attr store1 > 4.242 ) 
     ((attr store1 < 8.456 and attr store1 > 8.396 ) and bondedto
      (attr store1 < 119.255  and attr store1 > 118.455 ))
6 0.1 0.1 peak 1418 volume 26.42738 ppm1 8.426 ppm2 4.292
 
! ############### n15noe.1419 NOT folded
assi (attr store1 < 4.087 and attr store1 > 3.987 ) 
     ((attr store1 < 8.456 and attr store1 > 8.396 ) and bondedto
      (attr store1 < 119.266  and attr store1 > 118.466 ))
6 0.1 0.1 peak 1419 volume 18.56574 ppm1 8.426 ppm2 4.037
 
! ############### n15noe.1420 NOT folded
assi (attr store1 < 2.227 and attr store1 > 2.127 ) 
     ((attr store1 < 8.456 and attr store1 > 8.396 ) and bondedto
      (attr store1 < 119.242  and attr store1 > 118.442 ))
6 0.1 0.1 peak 1420 volume 12.92356 ppm1 8.426 ppm2 2.177
 
! ############### n15noe.1421 NOT folded
assi (attr store1 < 1.6 and attr store1 > 1.5 ) 
     ((attr store1 < 8.457 and attr store1 > 8.397 ) and bondedto
      (attr store1 < 119.258  and attr store1 > 118.458 ))
6 0.1 0.1 peak 1421 volume 12.86988 ppm1 8.427 ppm2 1.550
 
! ############### n15noe.1422 NOT folded
assi (attr store1 < 2.058 and attr store1 > 1.958 ) 
     ((attr store1 < 8.403 and attr store1 > 8.343 ) and bondedto
      (attr store1 < 119.296  and attr store1 > 118.496 ))
6 0.1 0.1 peak 1422 volume 4.71142 ppm1 8.373 ppm2 2.008
 
! ############### n15noe.1423 NOT folded
assi (attr store1 < 4.306 and attr store1 > 4.206 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 119.265  and attr store1 > 118.465 ))
6 0.1 0.1 peak 1423 volume 26.28940 ppm1 8.368 ppm2 4.256
 
! ############### n15noe.1424 NOT folded
assi (attr store1 < 4.156 and attr store1 > 4.056 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 119.259  and attr store1 > 118.459 ))
6 0.1 0.1 peak 1424 volume 15.19041 ppm1 8.368 ppm2 4.106
 
! ############### n15noe.1425 NOT folded
assi (attr store1 < 2.855 and attr store1 > 2.755 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 119.276  and attr store1 > 118.476 ))
6 0.1 0.1 peak 1425 volume 18.25291 ppm1 8.368 ppm2 2.805
 
! ############### n15noe.1426 NOT folded
assi (attr store1 < 2.296 and attr store1 > 2.196 ) 
     ((attr store1 < 8.397 and attr store1 > 8.337 ) and bondedto
      (attr store1 < 119.275  and attr store1 > 118.475 ))
6 0.1 0.1 peak 1426 volume 36.40509 ppm1 8.367 ppm2 2.246
 
! ############### n15noe.1427 NOT folded
assi (attr store1 < 1.677 and attr store1 > 1.577 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 119.246  and attr store1 > 118.446 ))
6 0.1 0.1 peak 1427 volume 6.92438 ppm1 8.368 ppm2 1.627
 
! ############### n15noe.1428 NOT folded
assi (attr store1 < 8.846 and attr store1 > 8.746 ) 
     ((attr store1 < 8.394 and attr store1 > 8.334 ) and bondedto
      (attr store1 < 119.287  and attr store1 > 118.487 ))
6 0.1 0.1 peak 1428 volume 16.22296 ppm1 8.364 ppm2 8.796
 
! ############### n15noe.1429 NOT folded
assi (attr store1 < 7.847 and attr store1 > 7.747 ) 
     ((attr store1 < 8.395 and attr store1 > 8.335 ) and bondedto
      (attr store1 < 119.28  and attr store1 > 118.48 ))
6 0.1 0.1 peak 1429 volume 25.54852 ppm1 8.365 ppm2 7.797
 
! ############### n15noe.1430 NOT folded
assi (attr store1 < 2.762 and attr store1 > 2.662 ) 
     ((attr store1 < 8.396 and attr store1 > 8.336 ) and bondedto
      (attr store1 < 119.28  and attr store1 > 118.48 ))
6 0.1 0.1 peak 1430 volume 17.03665 ppm1 8.366 ppm2 2.712
 
! ############### n15noe.1431 NOT folded
assi (attr store1 < 2.213 and attr store1 > 2.113 ) 
     ((attr store1 < 8.396 and attr store1 > 8.336 ) and bondedto
      (attr store1 < 119.277  and attr store1 > 118.477 ))
6 0.1 0.1 peak 1431 volume 35.45045 ppm1 8.366 ppm2 2.163
 
! ############### n15noe.1432 NOT folded
assi (attr store1 < 1.99 and attr store1 > 1.89 ) 
     ((attr store1 < 8.396 and attr store1 > 8.336 ) and bondedto
      (attr store1 < 119.287  and attr store1 > 118.487 ))
6 0.1 0.1 peak 1432 volume 4.71641 ppm1 8.366 ppm2 1.940
 
! ############### n15noe.1433 NOT folded
assi (attr store1 < 4.727 and attr store1 > 4.627 ) 
     ((attr store1 < 8.311 and attr store1 > 8.251 ) and bondedto
      (attr store1 < 119.243  and attr store1 > 118.443 ))
6 0.1 0.1 peak 1433 volume 5.80002 ppm1 8.281 ppm2 4.677
 
! ############### n15noe.1434 NOT folded
assi (attr store1 < 7.863 and attr store1 > 7.763 ) 
     ((attr store1 < 8.449 and attr store1 > 8.389 ) and bondedto
      (attr store1 < 119.169  and attr store1 > 118.369 ))
6 0.1 0.1 peak 1434 volume 4.08053 ppm1 8.419 ppm2 7.813
 
! ############### n15noe.1435 NOT folded
assi (attr store1 < 4.746 and attr store1 > 4.646 ) 
     ((attr store1 < 8.389 and attr store1 > 8.329 ) and bondedto
      (attr store1 < 119.165  and attr store1 > 118.365 ))
6 0.1 0.1 peak 1435 volume 4.92473 ppm1 8.359 ppm2 4.696
 
! ############### n15noe.1436 NOT folded
assi (attr store1 < 3.012 and attr store1 > 2.912 ) 
     ((attr store1 < 8.29 and attr store1 > 8.23 ) and bondedto
      (attr store1 < 119.126  and attr store1 > 118.326 ))
6 0.1 0.1 peak 1436 volume 5.98245 ppm1 8.260 ppm2 2.962
 
! ############### n15noe.1437 NOT folded
assi (attr store1 < 8.517 and attr store1 > 8.417 ) 
     ((attr store1 < 8.223 and attr store1 > 8.163 ) and bondedto
      (attr store1 < 119.12  and attr store1 > 118.32 ))
6 0.1 0.1 peak 1437 volume 5.09349 ppm1 8.193 ppm2 8.467
 
! ############### n15noe.1438 NOT folded
assi (attr store1 < 3.015 and attr store1 > 2.915 ) 
     ((attr store1 < 8.265 and attr store1 > 8.205 ) and bondedto
      (attr store1 < 119.068  and attr store1 > 118.268 ))
6 0.1 0.1 peak 1438 volume 8.72787 ppm1 8.235 ppm2 2.965
 
! ############### n15noe.1439 NOT folded
assi (attr store1 < 7.675 and attr store1 > 7.575 ) 
     ((attr store1 < 8.222 and attr store1 > 8.162 ) and bondedto
      (attr store1 < 119.018  and attr store1 > 118.218 ))
6 0.1 0.1 peak 1439 volume 16.92638 ppm1 8.192 ppm2 7.625
 
! ############### n15noe.1440 NOT folded
assi (attr store1 < 4.699 and attr store1 > 4.599 ) 
     ((attr store1 < 8.224 and attr store1 > 8.164 ) and bondedto
      (attr store1 < 119.081  and attr store1 > 118.281 ))
6 0.1 0.1 peak 1440 volume 12.33110 ppm1 8.194 ppm2 4.649
 
! ############### n15noe.1441 NOT folded
assi (attr store1 < 4.023 and attr store1 > 3.923 ) 
     ((attr store1 < 8.224 and attr store1 > 8.164 ) and bondedto
      (attr store1 < 119.034  and attr store1 > 118.234 ))
6 0.1 0.1 peak 1441 volume 6.13669 ppm1 8.194 ppm2 3.973
 
! ############### n15noe.1442 NOT folded
assi (attr store1 < 6.576 and attr store1 > 6.476 ) 
     ((attr store1 < 7.418 and attr store1 > 7.358 ) and bondedto
      (attr store1 < 119.074  and attr store1 > 118.274 ))
6 0.1 0.1 peak 1442 volume 3.67368 ppm1 7.388 ppm2 6.526
 
! ############### n15noe.1443 NOT folded
assi (attr store1 < 2.888 and attr store1 > 2.788 ) 
     ((attr store1 < 8.415 and attr store1 > 8.355 ) and bondedto
      (attr store1 < 118.955  and attr store1 > 118.155 ))
6 0.1 0.1 peak 1443 volume 5.99173 ppm1 8.385 ppm2 2.838
 
! ############### n15noe.1444 NOT folded
assi (attr store1 < 7.765 and attr store1 > 7.665 ) 
     ((attr store1 < 8.227 and attr store1 > 8.167 ) and bondedto
      (attr store1 < 118.995  and attr store1 > 118.195 ))
6 0.1 0.1 peak 1444 volume 16.21698 ppm1 8.197 ppm2 7.715
 
! ############### n15noe.1445 NOT folded
assi (attr store1 < 4.73 and attr store1 > 4.63 ) 
     ((attr store1 < 8.223 and attr store1 > 8.163 ) and bondedto
      (attr store1 < 118.96  and attr store1 > 118.16 ))
6 0.1 0.1 peak 1445 volume 15.28849 ppm1 8.193 ppm2 4.680
 
! ############### n15noe.1446 NOT folded
assi (attr store1 < 4.664 and attr store1 > 4.564 ) 
     ((attr store1 < 8.223 and attr store1 > 8.163 ) and bondedto
      (attr store1 < 118.963  and attr store1 > 118.163 ))
6 0.1 0.1 peak 1446 volume 9.90478 ppm1 8.193 ppm2 4.614
 
! ############### n15noe.1447 NOT folded
assi (attr store1 < 4.584 and attr store1 > 4.484 ) 
     ((attr store1 < 8.223 and attr store1 > 8.163 ) and bondedto
      (attr store1 < 118.99  and attr store1 > 118.19 ))
6 0.1 0.1 peak 1447 volume 18.31938 ppm1 8.193 ppm2 4.534
 
! ############### n15noe.1448 NOT folded
assi (attr store1 < 3.017 and attr store1 > 2.917 ) 
     ((attr store1 < 8.222 and attr store1 > 8.162 ) and bondedto
      (attr store1 < 119.002  and attr store1 > 118.202 ))
6 0.1 0.1 peak 1448 volume 37.91684 ppm1 8.192 ppm2 2.967
 
! ############### n15noe.1449 NOT folded
assi (attr store1 < 1.577 and attr store1 > 1.477 ) 
     ((attr store1 < 8.224 and attr store1 > 8.164 ) and bondedto
      (attr store1 < 118.994  and attr store1 > 118.194 ))
6 0.1 0.1 peak 1449 volume 14.44026 ppm1 8.194 ppm2 1.527
 
! ############### n15noe.1450 NOT folded
assi (attr store1 < 0.963 and attr store1 > 0.863 ) 
     ((attr store1 < 8.221 and attr store1 > 8.161 ) and bondedto
      (attr store1 < 119.007  and attr store1 > 118.207 ))
6 0.1 0.1 peak 1450 volume 9.75535 ppm1 8.191 ppm2 0.913
 
! ############### n15noe.1451 NOT folded
assi (attr store1 < 2.395 and attr store1 > 2.295 ) 
     ((attr store1 < 8.22 and attr store1 > 8.16 ) and bondedto
      (attr store1 < 118.99  and attr store1 > 118.19 ))
6 0.1 0.1 peak 1451 volume 10.57815 ppm1 8.190 ppm2 2.345
 
! ############### n15noe.1452 NOT folded
assi (attr store1 < 1.718 and attr store1 > 1.618 ) 
     ((attr store1 < 8.22 and attr store1 > 8.16 ) and bondedto
      (attr store1 < 118.981  and attr store1 > 118.181 ))
6 0.1 0.1 peak 1452 volume 10.32948 ppm1 8.190 ppm2 1.668
 
! ############### n15noe.1453 NOT folded
assi (attr store1 < 7.673 and attr store1 > 7.573 ) 
     ((attr store1 < 8.215 and attr store1 > 8.155 ) and bondedto
      (attr store1 < 119.004  and attr store1 > 118.204 ))
6 0.1 0.1 peak 1453 volume 16.29846 ppm1 8.185 ppm2 7.623
 
! ############### n15noe.1454 NOT folded
assi (attr store1 < 1.1 and attr store1 > 1.0 ) 
     ((attr store1 < 8.467 and attr store1 > 8.407 ) and bondedto
      (attr store1 < 118.904  and attr store1 > 118.104 ))
6 0.1 0.1 peak 1454 volume 3.65214 ppm1 8.437 ppm2 1.050
 
! ############### n15noe.1455 NOT folded
assi (attr store1 < 8.58 and attr store1 > 8.48 ) 
     ((attr store1 < 8.416 and attr store1 > 8.356 ) and bondedto
      (attr store1 < 118.86  and attr store1 > 118.06 ))
6 0.1 0.1 peak 1455 volume 17.67624 ppm1 8.386 ppm2 8.530
 
! ############### n15noe.1456 NOT folded
assi (attr store1 < 4.789 and attr store1 > 4.689 ) 
     ((attr store1 < 8.414 and attr store1 > 8.354 ) and bondedto
      (attr store1 < 118.853  and attr store1 > 118.053 ))
6 0.1 0.1 peak 1456 volume 13.37390 ppm1 8.384 ppm2 4.739
 
! ############### n15noe.1457 NOT folded
assi (attr store1 < 2.963 and attr store1 > 2.863 ) 
     ((attr store1 < 8.414 and attr store1 > 8.354 ) and bondedto
      (attr store1 < 118.864  and attr store1 > 118.064 ))
6 0.1 0.1 peak 1457 volume 15.73532 ppm1 8.384 ppm2 2.913
 
! ############### n15noe.1458 NOT folded
assi (attr store1 < 2.362 and attr store1 > 2.262 ) 
     ((attr store1 < 8.414 and attr store1 > 8.354 ) and bondedto
      (attr store1 < 118.916  and attr store1 > 118.116 ))
6 0.1 0.1 peak 1458 volume 7.61621 ppm1 8.384 ppm2 2.312
 
! ############### n15noe.1459 NOT folded
assi (attr store1 < 1.011 and attr store1 > 0.911 ) 
     ((attr store1 < 8.416 and attr store1 > 8.356 ) and bondedto
      (attr store1 < 118.843  and attr store1 > 118.043 ))
6 0.1 0.1 peak 1459 volume 10.50189 ppm1 8.386 ppm2 0.961
 
! ############### n15noe.1460 NOT folded
assi (attr store1 < 8.984 and attr store1 > 8.884 ) 
     ((attr store1 < 8.41 and attr store1 > 8.35 ) and bondedto
      (attr store1 < 118.858  and attr store1 > 118.058 ))
6 0.1 0.1 peak 1460 volume 16.22338 ppm1 8.380 ppm2 8.934
 
! ############### n15noe.1461 NOT folded
assi (attr store1 < 7.22 and attr store1 > 7.12 ) 
     ((attr store1 < 8.409 and attr store1 > 8.349 ) and bondedto
      (attr store1 < 118.851  and attr store1 > 118.051 ))
6 0.1 0.1 peak 1461 volume 7.61077 ppm1 8.379 ppm2 7.170
 
! ############### n15noe.1462 NOT folded
assi (attr store1 < 4.001 and attr store1 > 3.901 ) 
     ((attr store1 < 8.412 and attr store1 > 8.352 ) and bondedto
      (attr store1 < 118.863  and attr store1 > 118.063 ))
6 0.1 0.1 peak 1462 volume 6.96489 ppm1 8.382 ppm2 3.951
 
! ############### n15noe.1463 NOT folded
assi (attr store1 < 2.62 and attr store1 > 2.52 ) 
     ((attr store1 < 8.411 and attr store1 > 8.351 ) and bondedto
      (attr store1 < 118.843  and attr store1 > 118.043 ))
6 0.1 0.1 peak 1463 volume 11.01799 ppm1 8.381 ppm2 2.570
 
! ############### n15noe.1464 NOT folded
assi (attr store1 < 2.251 and attr store1 > 2.151 ) 
     ((attr store1 < 8.412 and attr store1 > 8.352 ) and bondedto
      (attr store1 < 118.886  and attr store1 > 118.086 ))
6 0.1 0.1 peak 1464 volume 15.24927 ppm1 8.382 ppm2 2.201
 
! ############### n15noe.1465 NOT folded
assi (attr store1 < 2.191 and attr store1 > 2.091 ) 
     ((attr store1 < 8.412 and attr store1 > 8.352 ) and bondedto
      (attr store1 < 118.862  and attr store1 > 118.062 ))
6 0.1 0.1 peak 1465 volume 14.41464 ppm1 8.382 ppm2 2.141
 
! ############### n15noe.1466 NOT folded
assi (attr store1 < 1.136 and attr store1 > 1.036 ) 
     ((attr store1 < 8.413 and attr store1 > 8.353 ) and bondedto
      (attr store1 < 118.858  and attr store1 > 118.058 ))
6 0.1 0.1 peak 1466 volume 6.70235 ppm1 8.383 ppm2 1.086
 
! ############### n15noe.1467 NOT folded
assi (attr store1 < 2.575 and attr store1 > 2.475 ) 
     ((attr store1 < 8.4 and attr store1 > 8.34 ) and bondedto
      (attr store1 < 118.85  and attr store1 > 118.05 ))
6 0.1 0.1 peak 1467 volume 7.59849 ppm1 8.370 ppm2 2.525
 
! ############### n15noe.1468 NOT folded
assi (attr store1 < 2.517 and attr store1 > 2.417 ) 
     ((attr store1 < 8.4 and attr store1 > 8.34 ) and bondedto
      (attr store1 < 118.879  and attr store1 > 118.079 ))
6 0.1 0.1 peak 1468 volume 4.79703 ppm1 8.370 ppm2 2.467
 
! ############### n15noe.1469 NOT folded
assi (attr store1 < 1.907 and attr store1 > 1.807 ) 
     ((attr store1 < 7.968 and attr store1 > 7.908 ) and bondedto
      (attr store1 < 118.866  and attr store1 > 118.066 ))
6 0.1 0.1 peak 1469 volume 3.56769 ppm1 7.938 ppm2 1.857
 
! ############### n15noe.1470 NOT folded
assi (attr store1 < 8.423 and attr store1 > 8.323 ) 
     ((attr store1 < 7.96 and attr store1 > 7.9 ) and bondedto
      (attr store1 < 118.851  and attr store1 > 118.051 ))
6 0.1 0.1 peak 1470 volume 14.92263 ppm1 7.930 ppm2 8.373
 
! ############### n15noe.1471 NOT folded
assi (attr store1 < 7.451 and attr store1 > 7.351 ) 
     ((attr store1 < 7.958 and attr store1 > 7.898 ) and bondedto
      (attr store1 < 118.855  and attr store1 > 118.055 ))
6 0.1 0.1 peak 1471 volume 16.43509 ppm1 7.928 ppm2 7.401
 
! ############### n15noe.1472 NOT folded
assi (attr store1 < 4.445 and attr store1 > 4.345 ) 
     ((attr store1 < 7.959 and attr store1 > 7.899 ) and bondedto
      (attr store1 < 118.863  and attr store1 > 118.063 ))
6 0.1 0.1 peak 1472 volume 10.43257 ppm1 7.929 ppm2 4.395
 
! ############### n15noe.1473 NOT folded
assi (attr store1 < 4.165 and attr store1 > 4.065 ) 
     ((attr store1 < 7.96 and attr store1 > 7.9 ) and bondedto
      (attr store1 < 118.854  and attr store1 > 118.054 ))
6 0.1 0.1 peak 1473 volume 10.95536 ppm1 7.930 ppm2 4.115
 
! ############### n15noe.1474 NOT folded
assi (attr store1 < 4.075 and attr store1 > 3.975 ) 
     ((attr store1 < 7.959 and attr store1 > 7.899 ) and bondedto
      (attr store1 < 118.865  and attr store1 > 118.065 ))
6 0.1 0.1 peak 1474 volume 7.26815 ppm1 7.929 ppm2 4.025
 
! ############### n15noe.1475 NOT folded
assi (attr store1 < 3.354 and attr store1 > 3.254 ) 
     ((attr store1 < 7.959 and attr store1 > 7.899 ) and bondedto
      (attr store1 < 118.845  and attr store1 > 118.045 ))
6 0.1 0.1 peak 1475 volume 9.22371 ppm1 7.929 ppm2 3.304
 
! ############### n15noe.1476 NOT folded
assi (attr store1 < 2.73 and attr store1 > 2.63 ) 
     ((attr store1 < 7.96 and attr store1 > 7.9 ) and bondedto
      (attr store1 < 118.852  and attr store1 > 118.052 ))
6 0.1 0.1 peak 1476 volume 11.13118 ppm1 7.930 ppm2 2.680
 
! ############### n15noe.1477 NOT folded
assi (attr store1 < 2.297 and attr store1 > 2.197 ) 
     ((attr store1 < 7.959 and attr store1 > 7.899 ) and bondedto
      (attr store1 < 118.88  and attr store1 > 118.08 ))
6 0.1 0.1 peak 1477 volume 4.42700 ppm1 7.929 ppm2 2.247
 
! ############### n15noe.1478 NOT folded
assi (attr store1 < 1.988 and attr store1 > 1.888 ) 
     ((attr store1 < 7.96 and attr store1 > 7.9 ) and bondedto
      (attr store1 < 118.851  and attr store1 > 118.051 ))
6 0.1 0.1 peak 1478 volume 11.02563 ppm1 7.930 ppm2 1.938
 
! ############### n15noe.1479 NOT folded
assi (attr store1 < 1.904 and attr store1 > 1.804 ) 
     ((attr store1 < 7.959 and attr store1 > 7.899 ) and bondedto
      (attr store1 < 118.877  and attr store1 > 118.077 ))
6 0.1 0.1 peak 1479 volume 4.19596 ppm1 7.929 ppm2 1.854
 
! ############### n15noe.1480 NOT folded
assi (attr store1 < 1.812 and attr store1 > 1.712 ) 
     ((attr store1 < 7.962 and attr store1 > 7.902 ) and bondedto
      (attr store1 < 118.842  and attr store1 > 118.042 ))
6 0.1 0.1 peak 1480 volume 12.82942 ppm1 7.932 ppm2 1.762
 
! ############### n15noe.1481 NOT folded
assi (attr store1 < 6.973 and attr store1 > 6.873 ) 
     ((attr store1 < 7.956 and attr store1 > 7.896 ) and bondedto
      (attr store1 < 118.849  and attr store1 > 118.049 ))
6 0.1 0.1 peak 1481 volume 8.16134 ppm1 7.926 ppm2 6.923
 
! ############### n15noe.1482 NOT folded
assi (attr store1 < 7.599 and attr store1 > 7.499 ) 
     ((attr store1 < 8.466 and attr store1 > 8.406 ) and bondedto
      (attr store1 < 118.745  and attr store1 > 117.945 ))
6 0.1 0.1 peak 1482 volume 3.75396 ppm1 8.436 ppm2 7.549
 
! ############### n15noe.1483 NOT folded
assi (attr store1 < 1.478 and attr store1 > 1.378 ) 
     ((attr store1 < 8.463 and attr store1 > 8.403 ) and bondedto
      (attr store1 < 118.795  and attr store1 > 117.995 ))
6 0.1 0.1 peak 1483 volume 3.50837 ppm1 8.433 ppm2 1.428
 
! ############### n15noe.1484 NOT folded
assi (attr store1 < 3.959 and attr store1 > 3.859 ) 
     ((attr store1 < 8.46 and attr store1 > 8.4 ) and bondedto
      (attr store1 < 118.758  and attr store1 > 117.958 ))
6 0.1 0.1 peak 1484 volume 5.41413 ppm1 8.430 ppm2 3.909
 
! ############### n15noe.1485 NOT folded
assi (attr store1 < 1.005 and attr store1 > 0.905 ) 
     ((attr store1 < 8.46 and attr store1 > 8.4 ) and bondedto
      (attr store1 < 118.744  and attr store1 > 117.944 ))
6 0.1 0.1 peak 1485 volume 8.66424 ppm1 8.430 ppm2 0.955
 
! ############### n15noe.1486 NOT folded
assi (attr store1 < 4.349 and attr store1 > 4.249 ) 
     ((attr store1 < 8.453 and attr store1 > 8.393 ) and bondedto
      (attr store1 < 118.772  and attr store1 > 117.972 ))
6 0.1 0.1 peak 1486 volume 4.63016 ppm1 8.423 ppm2 4.299
 
! ############### n15noe.1487 NOT folded
assi (attr store1 < 4.27 and attr store1 > 4.17 ) 
     ((attr store1 < 8.454 and attr store1 > 8.394 ) and bondedto
      (attr store1 < 118.78  and attr store1 > 117.98 ))
6 0.1 0.1 peak 1487 volume 5.10889 ppm1 8.424 ppm2 4.220
 
! ############### n15noe.1488 NOT folded
assi (attr store1 < 4.201 and attr store1 > 4.101 ) 
     ((attr store1 < 8.455 and attr store1 > 8.395 ) and bondedto
      (attr store1 < 118.773  and attr store1 > 117.973 ))
6 0.1 0.1 peak 1488 volume 5.97233 ppm1 8.425 ppm2 4.151
 
! ############### n15noe.1489 NOT folded
assi (attr store1 < 3.987 and attr store1 > 3.887 ) 
     ((attr store1 < 8.454 and attr store1 > 8.394 ) and bondedto
      (attr store1 < 118.745  and attr store1 > 117.945 ))
6 0.1 0.1 peak 1489 volume 4.20611 ppm1 8.424 ppm2 3.937
 
! ############### n15noe.1490 NOT folded
assi (attr store1 < 4.356 and attr store1 > 4.256 ) 
     ((attr store1 < 8.445 and attr store1 > 8.385 ) and bondedto
      (attr store1 < 118.752  and attr store1 > 117.952 ))
6 0.1 0.1 peak 1490 volume 3.74752 ppm1 8.415 ppm2 4.306
 
! ############### n15noe.1491 NOT folded
assi (attr store1 < 3.518 and attr store1 > 3.418 ) 
     ((attr store1 < 8.418 and attr store1 > 8.358 ) and bondedto
      (attr store1 < 118.784  and attr store1 > 117.984 ))
6 0.1 0.1 peak 1491 volume 8.86797 ppm1 8.388 ppm2 3.468
 
! ############### n15noe.1492 NOT folded
assi (attr store1 < 7.836 and attr store1 > 7.736 ) 
     ((attr store1 < 8.411 and attr store1 > 8.351 ) and bondedto
      (attr store1 < 118.749  and attr store1 > 117.949 ))
6 0.1 0.1 peak 1492 volume 3.79004 ppm1 8.381 ppm2 7.786
 
! ############### n15noe.1493 NOT folded
assi (attr store1 < 1.578 and attr store1 > 1.478 ) 
     ((attr store1 < 8.409 and attr store1 > 8.349 ) and bondedto
      (attr store1 < 118.784  and attr store1 > 117.984 ))
6 0.1 0.1 peak 1493 volume 4.38712 ppm1 8.379 ppm2 1.528
 
! ############### n15noe.1494 NOT folded
assi (attr store1 < 0.928 and attr store1 > 0.828 ) 
     ((attr store1 < 8.41 and attr store1 > 8.35 ) and bondedto
      (attr store1 < 118.812  and attr store1 > 118.012 ))
6 0.1 0.1 peak 1494 volume 5.01924 ppm1 8.380 ppm2 0.878
 
! ############### n15noe.1495 NOT folded
assi (attr store1 < 7.053 and attr store1 > 6.953 ) 
     ((attr store1 < 8.407 and attr store1 > 8.347 ) and bondedto
      (attr store1 < 118.798  and attr store1 > 117.998 ))
6 0.1 0.1 peak 1495 volume 4.85013 ppm1 8.377 ppm2 7.003
 
! ############### n15noe.1496 NOT folded
assi (attr store1 < 4.162 and attr store1 > 4.062 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 118.765  and attr store1 > 117.965 ))
6 0.1 0.1 peak 1496 volume 9.43872 ppm1 8.368 ppm2 4.112
 
! ############### n15noe.1497 NOT folded
assi (attr store1 < 0.897 and attr store1 > 0.797 ) 
     ((attr store1 < 8.39 and attr store1 > 8.33 ) and bondedto
      (attr store1 < 118.762  and attr store1 > 117.962 ))
6 0.1 0.1 peak 1497 volume 3.90725 ppm1 8.360 ppm2 0.847
 
! ############### n15noe.1498 NOT folded
assi (attr store1 < 2.192 and attr store1 > 2.092 ) 
     ((attr store1 < 8.378 and attr store1 > 8.318 ) and bondedto
      (attr store1 < 118.76  and attr store1 > 117.96 ))
6 0.1 0.1 peak 1498 volume 6.53110 ppm1 8.348 ppm2 2.142
 
! ############### n15noe.1499 NOT folded
assi (attr store1 < 1.129 and attr store1 > 1.029 ) 
     ((attr store1 < 8.356 and attr store1 > 8.296 ) and bondedto
      (attr store1 < 118.752  and attr store1 > 117.952 ))
6 0.1 0.1 peak 1499 volume 3.91175 ppm1 8.326 ppm2 1.079
 
! ############### n15noe.1500 NOT folded
assi (attr store1 < 7.323 and attr store1 > 7.223 ) 
     ((attr store1 < 8.347 and attr store1 > 8.287 ) and bondedto
      (attr store1 < 118.759  and attr store1 > 117.959 ))
6 0.1 0.1 peak 1500 volume 4.87122 ppm1 8.317 ppm2 7.273
 
! ############### n15noe.1501 NOT folded
assi (attr store1 < 8.156 and attr store1 > 8.056 ) 
     ((attr store1 < 8.337 and attr store1 > 8.277 ) and bondedto
      (attr store1 < 118.738  and attr store1 > 117.938 ))
6 0.1 0.1 peak 1501 volume 14.76344 ppm1 8.307 ppm2 8.106
 
! ############### n15noe.1502 NOT folded
assi (attr store1 < 2.653 and attr store1 > 2.553 ) 
     ((attr store1 < 8.338 and attr store1 > 8.278 ) and bondedto
      (attr store1 < 118.757  and attr store1 > 117.957 ))
6 0.1 0.1 peak 1502 volume 18.59961 ppm1 8.308 ppm2 2.603
 
! ############### n15noe.1503 NOT folded
assi (attr store1 < 2.091 and attr store1 > 1.991 ) 
     ((attr store1 < 8.336 and attr store1 > 8.276 ) and bondedto
      (attr store1 < 118.734  and attr store1 > 117.934 ))
6 0.1 0.1 peak 1503 volume 6.31600 ppm1 8.306 ppm2 2.041
 
! ############### n15noe.1504 NOT folded
assi (attr store1 < 1.585 and attr store1 > 1.485 ) 
     ((attr store1 < 8.338 and attr store1 > 8.278 ) and bondedto
      (attr store1 < 118.759  and attr store1 > 117.959 ))
6 0.1 0.1 peak 1504 volume 7.14757 ppm1 8.308 ppm2 1.535
 
! ############### n15noe.1505 NOT folded
assi (attr store1 < 7.846 and attr store1 > 7.746 ) 
     ((attr store1 < 8.333 and attr store1 > 8.273 ) and bondedto
      (attr store1 < 118.738  and attr store1 > 117.938 ))
6 0.1 0.1 peak 1505 volume 18.57221 ppm1 8.303 ppm2 7.796
 
! ############### n15noe.1506 NOT folded
assi (attr store1 < 3.917 and attr store1 > 3.817 ) 
     ((attr store1 < 8.331 and attr store1 > 8.271 ) and bondedto
      (attr store1 < 118.78  and attr store1 > 117.98 ))
6 0.1 0.1 peak 1506 volume 11.69682 ppm1 8.301 ppm2 3.867
 
! ############### n15noe.1507 NOT folded
assi (attr store1 < 2.868 and attr store1 > 2.768 ) 
     ((attr store1 < 8.332 and attr store1 > 8.272 ) and bondedto
      (attr store1 < 118.745  and attr store1 > 117.945 ))
6 0.1 0.1 peak 1507 volume 14.43185 ppm1 8.302 ppm2 2.818
 
! ############### n15noe.1508 NOT folded
assi (attr store1 < 2.32 and attr store1 > 2.22 ) 
     ((attr store1 < 8.335 and attr store1 > 8.275 ) and bondedto
      (attr store1 < 118.792  and attr store1 > 117.992 ))
6 0.1 0.1 peak 1508 volume 4.99369 ppm1 8.305 ppm2 2.270
 
! ############### n15noe.1509 NOT folded
assi (attr store1 < 1.896 and attr store1 > 1.796 ) 
     ((attr store1 < 8.331 and attr store1 > 8.271 ) and bondedto
      (attr store1 < 118.73  and attr store1 > 117.93 ))
6 0.1 0.1 peak 1509 volume 13.82634 ppm1 8.301 ppm2 1.846
 
! ############### n15noe.1510 NOT folded
assi (attr store1 < 1.67 and attr store1 > 1.57 ) 
     ((attr store1 < 8.333 and attr store1 > 8.273 ) and bondedto
      (attr store1 < 118.729  and attr store1 > 117.929 ))
6 0.1 0.1 peak 1510 volume 20.04290 ppm1 8.303 ppm2 1.620
 
! ############### n15noe.1511 NOT folded
assi (attr store1 < 0.861 and attr store1 > 0.761 ) 
     ((attr store1 < 8.332 and attr store1 > 8.272 ) and bondedto
      (attr store1 < 118.741  and attr store1 > 117.941 ))
6 0.1 0.1 peak 1511 volume 8.98770 ppm1 8.302 ppm2 0.811
 
! ############### n15noe.1512 NOT folded
assi (attr store1 < 2.78 and attr store1 > 2.68 ) 
     ((attr store1 < 8.328 and attr store1 > 8.268 ) and bondedto
      (attr store1 < 118.807  and attr store1 > 118.007 ))
6 0.1 0.1 peak 1512 volume 5.09993 ppm1 8.298 ppm2 2.730
 
! ############### n15noe.1513 NOT folded
assi (attr store1 < 2.098 and attr store1 > 1.998 ) 
     ((attr store1 < 8.33 and attr store1 > 8.27 ) and bondedto
      (attr store1 < 118.768  and attr store1 > 117.968 ))
6 0.1 0.1 peak 1513 volume 6.39519 ppm1 8.300 ppm2 2.048
 
! ############### n15noe.1514 NOT folded
assi (attr store1 < 2.088 and attr store1 > 1.988 ) 
     ((attr store1 < 7.963 and attr store1 > 7.903 ) and bondedto
      (attr store1 < 118.808  and attr store1 > 118.008 ))
6 0.1 0.1 peak 1514 volume 4.20739 ppm1 7.933 ppm2 2.038
 
! ############### n15noe.1515 NOT folded
assi (attr store1 < 2.6 and attr store1 > 2.5 ) 
     ((attr store1 < 7.955 and attr store1 > 7.895 ) and bondedto
      (attr store1 < 118.811  and attr store1 > 118.011 ))
6 0.1 0.1 peak 1515 volume 3.84815 ppm1 7.925 ppm2 2.550
 
! ############### n15noe.1516 NOT folded
assi (attr store1 < 2.154 and attr store1 > 2.054 ) 
     ((attr store1 < 7.955 and attr store1 > 7.895 ) and bondedto
      (attr store1 < 118.793  and attr store1 > 117.993 ))
6 0.1 0.1 peak 1516 volume 5.12453 ppm1 7.925 ppm2 2.104
 
! ############### n15noe.1517 NOT folded
assi (attr store1 < 1.709 and attr store1 > 1.609 ) 
     ((attr store1 < 7.954 and attr store1 > 7.894 ) and bondedto
      (attr store1 < 118.816  and attr store1 > 118.016 ))
6 0.1 0.1 peak 1517 volume 6.27199 ppm1 7.924 ppm2 1.659
 
! ############### n15noe.1518 NOT folded
assi (attr store1 < 2.007 and attr store1 > 1.907 ) 
     ((attr store1 < 7.928 and attr store1 > 7.868 ) and bondedto
      (attr store1 < 118.787  and attr store1 > 117.987 ))
6 0.1 0.1 peak 1518 volume 3.95578 ppm1 7.898 ppm2 1.957
 
! ############### n15noe.1519 NOT folded
assi (attr store1 < 4.245 and attr store1 > 4.145 ) 
     ((attr store1 < 7.298 and attr store1 > 7.238 ) and bondedto
      (attr store1 < 118.759  and attr store1 > 117.959 ))
6 0.1 0.1 peak 1519 volume 12.03473 ppm1 7.268 ppm2 4.195
 
! ############### n15noe.1520 NOT folded
assi (attr store1 < 2.124 and attr store1 > 2.024 ) 
     ((attr store1 < 7.302 and attr store1 > 7.242 ) and bondedto
      (attr store1 < 118.731  and attr store1 > 117.931 ))
6 0.1 0.1 peak 1520 volume 4.31631 ppm1 7.272 ppm2 2.074
 
! ############### n15noe.1521 NOT folded
assi (attr store1 < 1.105 and attr store1 > 1.005 ) 
     ((attr store1 < 7.299 and attr store1 > 7.239 ) and bondedto
      (attr store1 < 118.758  and attr store1 > 117.958 ))
6 0.1 0.1 peak 1521 volume 8.81174 ppm1 7.269 ppm2 1.055
 
! ############### n15noe.1522 NOT folded
assi (attr store1 < 7.814 and attr store1 > 7.714 ) 
     ((attr store1 < 7.294 and attr store1 > 7.234 ) and bondedto
      (attr store1 < 118.763  and attr store1 > 117.963 ))
6 0.1 0.1 peak 1522 volume 12.96171 ppm1 7.264 ppm2 7.764
 
! ############### n15noe.1523 NOT folded
assi (attr store1 < 7.672 and attr store1 > 7.572 ) 
     ((attr store1 < 7.294 and attr store1 > 7.234 ) and bondedto
      (attr store1 < 118.757  and attr store1 > 117.957 ))
6 0.1 0.1 peak 1523 volume 14.05351 ppm1 7.264 ppm2 7.622
 
! ############### n15noe.1524 NOT folded
assi (attr store1 < 7.318 and attr store1 > 7.218 ) 
     ((attr store1 < 7.295 and attr store1 > 7.235 ) and bondedto
      (attr store1 < 118.76  and attr store1 > 117.96 ))
6 0.1 0.1 peak 1524 volume 74.79654 ppm1 7.265 ppm2 7.268
 
! ############### n15noe.1525 NOT folded
assi (attr store1 < 4.321 and attr store1 > 4.221 ) 
     ((attr store1 < 7.294 and attr store1 > 7.234 ) and bondedto
      (attr store1 < 118.774  and attr store1 > 117.974 ))
6 0.1 0.1 peak 1525 volume 5.09895 ppm1 7.264 ppm2 4.271
 
! ############### n15noe.1526 NOT folded
assi (attr store1 < 4.188 and attr store1 > 4.088 ) 
     ((attr store1 < 7.293 and attr store1 > 7.233 ) and bondedto
      (attr store1 < 118.782  and attr store1 > 117.982 ))
6 0.1 0.1 peak 1526 volume 10.94987 ppm1 7.263 ppm2 4.138
 
! ############### n15noe.1527 NOT folded
assi (attr store1 < 2.222 and attr store1 > 2.122 ) 
     ((attr store1 < 7.296 and attr store1 > 7.236 ) and bondedto
      (attr store1 < 118.757  and attr store1 > 117.957 ))
6 0.1 0.1 peak 1527 volume 12.47337 ppm1 7.266 ppm2 2.172
 
! ############### n15noe.1528 NOT folded
assi (attr store1 < 1.907 and attr store1 > 1.807 ) 
     ((attr store1 < 7.295 and attr store1 > 7.235 ) and bondedto
      (attr store1 < 118.759  and attr store1 > 117.959 ))
6 0.1 0.1 peak 1528 volume 27.82704 ppm1 7.265 ppm2 1.857
 
! ############### n15noe.1529 NOT folded
assi (attr store1 < 1.714 and attr store1 > 1.614 ) 
     ((attr store1 < 7.297 and attr store1 > 7.237 ) and bondedto
      (attr store1 < 118.747  and attr store1 > 117.947 ))
6 0.1 0.1 peak 1529 volume 12.45475 ppm1 7.267 ppm2 1.664
 
! ############### n15noe.1530 NOT folded
assi (attr store1 < 1.574 and attr store1 > 1.474 ) 
     ((attr store1 < 7.292 and attr store1 > 7.232 ) and bondedto
      (attr store1 < 118.768  and attr store1 > 117.968 ))
6 0.1 0.1 peak 1530 volume 10.36115 ppm1 7.262 ppm2 1.524
 
! ############### n15noe.1531 NOT folded
assi ( resid 128  and name HD1%)
     ( resid  84  and name HN  )
6 0.1 0.1 peak 1531 volume 24.57849 ppm1 7.265 ppm2 0.902
 
! ############### n15noe.1532 NOT folded
assi (attr store1 < 4.108 and attr store1 > 4.008 ) 
     ((attr store1 < 8.463 and attr store1 > 8.403 ) and bondedto
      (attr store1 < 118.717  and attr store1 > 117.917 ))
6 0.1 0.1 peak 1532 volume 24.74279 ppm1 8.433 ppm2 4.058
 
! ############### n15noe.1533 NOT folded
assi (attr store1 < 3.529 and attr store1 > 3.429 ) 
     ((attr store1 < 8.465 and attr store1 > 8.405 ) and bondedto
      (attr store1 < 118.71  and attr store1 > 117.91 ))
6 0.1 0.1 peak 1533 volume 29.16453 ppm1 8.435 ppm2 3.479
 
! ############### n15noe.1534 NOT folded
assi (attr store1 < 1.58 and attr store1 > 1.48 ) 
     ((attr store1 < 8.466 and attr store1 > 8.406 ) and bondedto
      (attr store1 < 118.699  and attr store1 > 117.899 ))
6 0.1 0.1 peak 1534 volume 21.38392 ppm1 8.436 ppm2 1.530
 
! ############### n15noe.1535 NOT folded
assi (attr store1 < 0.921 and attr store1 > 0.821 ) 
     ((attr store1 < 8.463 and attr store1 > 8.403 ) and bondedto
      (attr store1 < 118.712  and attr store1 > 117.912 ))
6 0.1 0.1 peak 1535 volume 7.09424 ppm1 8.433 ppm2 0.871
 
! ############### n15noe.1536 NOT folded
assi (attr store1 < 7.96 and attr store1 > 7.86 ) 
     ((attr store1 < 8.461 and attr store1 > 8.401 ) and bondedto
      (attr store1 < 118.71  and attr store1 > 117.91 ))
6 0.1 0.1 peak 1536 volume 20.27260 ppm1 8.431 ppm2 7.910
 
! ############### n15noe.1537 NOT folded
assi (attr store1 < 6.835 and attr store1 > 6.735 ) 
     ((attr store1 < 8.46 and attr store1 > 8.4 ) and bondedto
      (attr store1 < 118.721  and attr store1 > 117.921 ))
6 0.1 0.1 peak 1537 volume 3.97946 ppm1 8.430 ppm2 6.785
 
! ############### n15noe.1538 NOT folded
assi (attr store1 < 1.454 and attr store1 > 1.354 ) 
     ((attr store1 < 8.461 and attr store1 > 8.401 ) and bondedto
      (attr store1 < 118.681  and attr store1 > 117.881 ))
6 0.1 0.1 peak 1538 volume 3.61440 ppm1 8.431 ppm2 1.404
 
! ############### n15noe.1539 NOT folded
assi (attr store1 < 3.339 and attr store1 > 3.239 ) 
     ((attr store1 < 8.453 and attr store1 > 8.393 ) and bondedto
      (attr store1 < 118.701  and attr store1 > 117.901 ))
6 0.1 0.1 peak 1539 volume 3.80291 ppm1 8.423 ppm2 3.289
 
! ############### n15noe.1540 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 8.445 and attr store1 > 8.385 ) and bondedto
      (attr store1 < 118.644  and attr store1 > 117.844 ))
6 0.1 0.1 peak 1540 volume 12.91713 ppm1 8.415 ppm2 4.687
 
! ############### n15noe.1541 NOT folded
assi (attr store1 < 4.519 and attr store1 > 4.419 ) 
     ((attr store1 < 8.349 and attr store1 > 8.289 ) and bondedto
      (attr store1 < 118.677  and attr store1 > 117.877 ))
6 0.1 0.1 peak 1541 volume 8.54098 ppm1 8.319 ppm2 4.469
 
! ############### n15noe.1542 NOT folded
assi (attr store1 < 4.313 and attr store1 > 4.213 ) 
     ((attr store1 < 8.348 and attr store1 > 8.288 ) and bondedto
      (attr store1 < 118.704  and attr store1 > 117.904 ))
6 0.1 0.1 peak 1542 volume 24.01723 ppm1 8.318 ppm2 4.263
 
! ############### n15noe.1543 NOT folded
assi (attr store1 < 8.756 and attr store1 > 8.656 ) 
     ((attr store1 < 8.345 and attr store1 > 8.285 ) and bondedto
      (attr store1 < 118.681  and attr store1 > 117.881 ))
6 0.1 0.1 peak 1543 volume 20.37066 ppm1 8.315 ppm2 8.706
 
! ############### n15noe.1544 NOT folded
assi (attr store1 < 7.665 and attr store1 > 7.565 ) 
     ((attr store1 < 8.345 and attr store1 > 8.285 ) and bondedto
      (attr store1 < 118.69  and attr store1 > 117.89 ))
6 0.1 0.1 peak 1544 volume 20.89454 ppm1 8.315 ppm2 7.615
 
! ############### n15noe.1545 NOT folded
assi (attr store1 < 7.359 and attr store1 > 7.259 ) 
     ((attr store1 < 8.346 and attr store1 > 8.286 ) and bondedto
      (attr store1 < 118.655  and attr store1 > 117.855 ))
6 0.1 0.1 peak 1545 volume 4.33642 ppm1 8.316 ppm2 7.309
 
! ############### n15noe.1546 NOT folded
assi (attr store1 < 4.741 and attr store1 > 4.641 ) 
     ((attr store1 < 8.344 and attr store1 > 8.284 ) and bondedto
      (attr store1 < 118.681  and attr store1 > 117.881 ))
6 0.1 0.1 peak 1546 volume 6.15929 ppm1 8.314 ppm2 4.691
 
! ############### n15noe.1547 NOT folded
assi (attr store1 < 4.156 and attr store1 > 4.056 ) 
     ((attr store1 < 8.347 and attr store1 > 8.287 ) and bondedto
      (attr store1 < 118.683  and attr store1 > 117.883 ))
6 0.1 0.1 peak 1547 volume 45.12812 ppm1 8.317 ppm2 4.106
 
! ############### n15noe.1548 NOT folded
assi (attr store1 < 4.041 and attr store1 > 3.941 ) 
     ((attr store1 < 8.346 and attr store1 > 8.286 ) and bondedto
      (attr store1 < 118.694  and attr store1 > 117.894 ))
6 0.1 0.1 peak 1548 volume 10.46325 ppm1 8.316 ppm2 3.991
 
! ############### n15noe.1549 NOT folded
assi (attr store1 < 2.925 and attr store1 > 2.825 ) 
     ((attr store1 < 8.34 and attr store1 > 8.28 ) and bondedto
      (attr store1 < 118.695  and attr store1 > 117.895 ))
6 0.1 0.1 peak 1549 volume 12.56987 ppm1 8.310 ppm2 2.875
 
! ############### n15noe.1550 NOT folded
assi (attr store1 < 2.225 and attr store1 > 2.125 ) 
     ((attr store1 < 8.337 and attr store1 > 8.277 ) and bondedto
      (attr store1 < 118.694  and attr store1 > 117.894 ))
6 0.1 0.1 peak 1550 volume 6.35493 ppm1 8.307 ppm2 2.175
 
! ############### n15noe.1551 NOT folded
assi (attr store1 < 1.094 and attr store1 > 0.994 ) 
     ((attr store1 < 8.341 and attr store1 > 8.281 ) and bondedto
      (attr store1 < 118.665  and attr store1 > 117.865 ))
6 0.1 0.1 peak 1551 volume 4.61527 ppm1 8.311 ppm2 1.044
 
! ############### n15noe.1552 NOT folded
assi ( resid 128  and name HD1%)
     ( resid  81  and name HN  )
6 0.1 0.1 peak 1552 volume 15.85623 ppm1 8.307 ppm2 0.928
 
! ############### n15noe.1553 NOT folded
assi (attr store1 < 7.322 and attr store1 > 7.222 ) 
     ((attr store1 < 8.332 and attr store1 > 8.272 ) and bondedto
      (attr store1 < 118.695  and attr store1 > 117.895 ))
6 0.1 0.1 peak 1553 volume 5.85089 ppm1 8.302 ppm2 7.272
 
! ############### n15noe.1554 NOT folded
assi (attr store1 < 2.501 and attr store1 > 2.401 ) 
     ((attr store1 < 8.332 and attr store1 > 8.272 ) and bondedto
      (attr store1 < 118.685  and attr store1 > 117.885 ))
6 0.1 0.1 peak 1554 volume 3.71226 ppm1 8.302 ppm2 2.451
 
! ############### n15noe.1555 NOT folded
assi (attr store1 < 0.879 and attr store1 > 0.779 ) 
     ((attr store1 < 8.332 and attr store1 > 8.272 ) and bondedto
      (attr store1 < 118.702  and attr store1 > 117.902 ))
6 0.1 0.1 peak 1555 volume 8.80630 ppm1 8.302 ppm2 0.829
 
! ############### n15noe.1556 NOT folded
assi (attr store1 < 6.899 and attr store1 > 6.799 ) 
     ((attr store1 < 7.866 and attr store1 > 7.806 ) and bondedto
      (attr store1 < 118.644  and attr store1 > 117.844 ))
6 0.1 0.1 peak 1556 volume 11.29459 ppm1 7.836 ppm2 6.849
 
! ############### n15noe.1557 NOT folded
assi (attr store1 < 4.118 and attr store1 > 4.018 ) 
     ((attr store1 < 7.866 and attr store1 > 7.806 ) and bondedto
      (attr store1 < 118.648  and attr store1 > 117.848 ))
6 0.1 0.1 peak 1557 volume 4.04410 ppm1 7.836 ppm2 4.068
 
! ############### n15noe.1558 NOT folded
assi (attr store1 < 3.69 and attr store1 > 3.59 ) 
     ((attr store1 < 7.868 and attr store1 > 7.808 ) and bondedto
      (attr store1 < 118.635  and attr store1 > 117.835 ))
6 0.1 0.1 peak 1558 volume 3.70231 ppm1 7.838 ppm2 3.640
 
! ############### n15noe.1559 NOT folded
assi (attr store1 < 3.011 and attr store1 > 2.911 ) 
     ((attr store1 < 7.834 and attr store1 > 7.774 ) and bondedto
      (attr store1 < 118.646  and attr store1 > 117.846 ))
6 0.1 0.1 peak 1559 volume 3.97635 ppm1 7.804 ppm2 2.961
 
! ############### n15noe.1560 NOT folded
assi (attr store1 < 3.913 and attr store1 > 3.813 ) 
     ((attr store1 < 7.297 and attr store1 > 7.237 ) and bondedto
      (attr store1 < 118.687  and attr store1 > 117.887 ))
6 0.1 0.1 peak 1560 volume 5.36639 ppm1 7.267 ppm2 3.863
 
! ############### n15noe.1561 NOT folded
assi (attr store1 < 2.251 and attr store1 > 2.151 ) 
     ((attr store1 < 9.384 and attr store1 > 9.324 ) and bondedto
      (attr store1 < 118.562  and attr store1 > 117.762 ))
6 0.1 0.1 peak 1561 volume 6.75456 ppm1 9.354 ppm2 2.201
 
! ############### n15noe.1562 NOT folded
assi (attr store1 < 7.867 and attr store1 > 7.767 ) 
     ((attr store1 < 8.69 and attr store1 > 8.63 ) and bondedto
      (attr store1 < 118.568  and attr store1 > 117.768 ))
6 0.1 0.1 peak 1562 volume 16.08773 ppm1 8.660 ppm2 7.817
 
! ############### n15noe.1563 NOT folded
assi (attr store1 < 3.221 and attr store1 > 3.121 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 118.583  and attr store1 > 117.783 ))
6 0.1 0.1 peak 1563 volume 3.67989 ppm1 8.659 ppm2 3.171
 
! ############### n15noe.1564 NOT folded
assi (attr store1 < 1.825 and attr store1 > 1.725 ) 
     ((attr store1 < 8.688 and attr store1 > 8.628 ) and bondedto
      (attr store1 < 118.553  and attr store1 > 117.753 ))
6 0.1 0.1 peak 1564 volume 19.96717 ppm1 8.658 ppm2 1.775
 
! ############### n15noe.1565 NOT folded
assi (attr store1 < 8.29 and attr store1 > 8.19 ) 
     ((attr store1 < 8.686 and attr store1 > 8.626 ) and bondedto
      (attr store1 < 118.547  and attr store1 > 117.747 ))
6 0.1 0.1 peak 1565 volume 14.21512 ppm1 8.656 ppm2 8.240
 
! ############### n15noe.1566 NOT folded
assi (attr store1 < 8.209 and attr store1 > 8.109 ) 
     ((attr store1 < 8.686 and attr store1 > 8.626 ) and bondedto
      (attr store1 < 118.55  and attr store1 > 117.75 ))
6 0.1 0.1 peak 1566 volume 4.79810 ppm1 8.656 ppm2 8.159
 
! ############### n15noe.1567 NOT folded
assi (attr store1 < 4.124 and attr store1 > 4.024 ) 
     ((attr store1 < 8.685 and attr store1 > 8.625 ) and bondedto
      (attr store1 < 118.588  and attr store1 > 117.788 ))
6 0.1 0.1 peak 1567 volume 5.08184 ppm1 8.655 ppm2 4.074
 
! ############### n15noe.1568 NOT folded
assi (attr store1 < 4.053 and attr store1 > 3.953 ) 
     ((attr store1 < 8.685 and attr store1 > 8.625 ) and bondedto
      (attr store1 < 118.579  and attr store1 > 117.779 ))
6 0.1 0.1 peak 1568 volume 13.72189 ppm1 8.655 ppm2 4.003
 
! ############### n15noe.1569 NOT folded
assi (attr store1 < 2.112 and attr store1 > 2.012 ) 
     ((attr store1 < 8.685 and attr store1 > 8.625 ) and bondedto
      (attr store1 < 118.54  and attr store1 > 117.74 ))
6 0.1 0.1 peak 1569 volume 24.09366 ppm1 8.655 ppm2 2.062
 
! ############### n15noe.1570 NOT folded
assi (attr store1 < 0.962 and attr store1 > 0.862 ) 
     ((attr store1 < 8.634 and attr store1 > 8.574 ) and bondedto
      (attr store1 < 118.543  and attr store1 > 117.743 ))
6 0.1 0.1 peak 1570 volume 5.00096 ppm1 8.604 ppm2 0.912
 
! ############### n15noe.1571 NOT folded
assi (attr store1 < 4.74 and attr store1 > 4.64 ) 
     ((attr store1 < 8.222 and attr store1 > 8.162 ) and bondedto
      (attr store1 < 118.574  and attr store1 > 117.774 ))
6 0.1 0.1 peak 1571 volume 33.10489 ppm1 8.192 ppm2 4.690
 
! ############### n15noe.1572 NOT folded
assi (attr store1 < 8.063 and attr store1 > 7.963 ) 
     ((attr store1 < 7.865 and attr store1 > 7.805 ) and bondedto
      (attr store1 < 118.599  and attr store1 > 117.799 ))
6 0.1 0.1 peak 1572 volume 25.80644 ppm1 7.835 ppm2 8.013
 
! ############### n15noe.1573 NOT folded
assi (attr store1 < 6.793 and attr store1 > 6.693 ) 
     ((attr store1 < 7.864 and attr store1 > 7.804 ) and bondedto
      (attr store1 < 118.601  and attr store1 > 117.801 ))
6 0.1 0.1 peak 1573 volume 4.98571 ppm1 7.834 ppm2 6.743
 
! ############### n15noe.1574 NOT folded
assi (attr store1 < 4.74 and attr store1 > 4.64 ) 
     ((attr store1 < 7.866 and attr store1 > 7.806 ) and bondedto
      (attr store1 < 118.584  and attr store1 > 117.784 ))
6 0.1 0.1 peak 1574 volume 12.21103 ppm1 7.836 ppm2 4.690
 
! ############### n15noe.1575 NOT folded
assi (attr store1 < 4.522 and attr store1 > 4.422 ) 
     ((attr store1 < 7.867 and attr store1 > 7.807 ) and bondedto
      (attr store1 < 118.577  and attr store1 > 117.777 ))
6 0.1 0.1 peak 1575 volume 7.30930 ppm1 7.837 ppm2 4.472
 
! ############### n15noe.1576 NOT folded
assi (attr store1 < 3.304 and attr store1 > 3.204 ) 
     ((attr store1 < 7.865 and attr store1 > 7.805 ) and bondedto
      (attr store1 < 118.59  and attr store1 > 117.79 ))
6 0.1 0.1 peak 1576 volume 10.75712 ppm1 7.835 ppm2 3.254
 
! ############### n15noe.1577 NOT folded
assi (attr store1 < 3.013 and attr store1 > 2.913 ) 
     ((attr store1 < 7.865 and attr store1 > 7.805 ) and bondedto
      (attr store1 < 118.611  and attr store1 > 117.811 ))
6 0.1 0.1 peak 1577 volume 8.87137 ppm1 7.835 ppm2 2.963
 
! ############### n15noe.1578 NOT folded
assi (attr store1 < 2.369 and attr store1 > 2.269 ) 
     ((attr store1 < 7.864 and attr store1 > 7.804 ) and bondedto
      (attr store1 < 118.589  and attr store1 > 117.789 ))
6 0.1 0.1 peak 1578 volume 13.12533 ppm1 7.834 ppm2 2.319
 
! ############### n15noe.1579 NOT folded
assi (attr store1 < 1.639 and attr store1 > 1.539 ) 
     ((attr store1 < 7.864 and attr store1 > 7.804 ) and bondedto
      (attr store1 < 118.543  and attr store1 > 117.743 ))
6 0.1 0.1 peak 1579 volume 4.80676 ppm1 7.834 ppm2 1.589
 
! ############### n15noe.1580 NOT folded
assi ( resid 45  and name HG2%)
     ( resid 44  and name HN  )
6 0.1 0.1 peak 1580 volume 5.54115 ppm1 7.835 ppm2 1.128
 
! ############### n15noe.1581 NOT folded
assi (attr store1 < 8.32 and attr store1 > 8.22 ) 
     ((attr store1 < 7.862 and attr store1 > 7.802 ) and bondedto
      (attr store1 < 118.588  and attr store1 > 117.788 ))
6 0.1 0.1 peak 1581 volume 11.53661 ppm1 7.832 ppm2 8.270
 
! ############### n15noe.1582 NOT folded
assi (attr store1 < 3.663 and attr store1 > 3.563 ) 
     ((attr store1 < 7.862 and attr store1 > 7.802 ) and bondedto
      (attr store1 < 118.581  and attr store1 > 117.781 ))
6 0.1 0.1 peak 1582 volume 3.88642 ppm1 7.832 ppm2 3.613
 
! ############### n15noe.1583 NOT folded
assi (attr store1 < 2.086 and attr store1 > 1.986 ) 
     ((attr store1 < 7.863 and attr store1 > 7.803 ) and bondedto
      (attr store1 < 118.581  and attr store1 > 117.781 ))
6 0.1 0.1 peak 1583 volume 9.17279 ppm1 7.833 ppm2 2.036
 
! ############### n15noe.1584 NOT folded
assi ( resid 43  and name HN  )
     ( resid 42  and name HN  )
6 0.1 0.1 peak 1584 volume 18.24077 ppm1 9.363 ppm2 8.015
 
! ############### n15noe.1585 NOT folded
assi ( resid 44  and name HN  )
     ( resid 42  and name HN  )
6 0.1 0.1 peak 1585 volume 4.39447 ppm1 9.364 ppm2 7.832
 
! ############### n15noe.1586 NOT folded
assi (attr store1 < 4.116 and attr store1 > 4.016 ) 
     ((attr store1 < 9.393 and attr store1 > 9.333 ) and bondedto
      (attr store1 < 118.464  and attr store1 > 117.664 ))
6 0.1 0.1 peak 1586 volume 18.87687 ppm1 9.363 ppm2 4.066
 
! ############### n15noe.1587 NOT folded
assi (attr store1 < 3.858 and attr store1 > 3.758 ) 
     ((attr store1 < 9.393 and attr store1 > 9.333 ) and bondedto
      (attr store1 < 118.482  and attr store1 > 117.682 ))
6 0.1 0.1 peak 1587 volume 7.61296 ppm1 9.363 ppm2 3.808
 
! ############### n15noe.1588 NOT folded
assi (attr store1 < 2.374 and attr store1 > 2.274 ) 
     ((attr store1 < 9.393 and attr store1 > 9.333 ) and bondedto
      (attr store1 < 118.468  and attr store1 > 117.668 ))
6 0.1 0.1 peak 1588 volume 31.43804 ppm1 9.363 ppm2 2.324
 
! ############### n15noe.1589 NOT folded
assi (attr store1 < 2.162 and attr store1 > 2.062 ) 
     ((attr store1 < 9.393 and attr store1 > 9.333 ) and bondedto
      (attr store1 < 118.451  and attr store1 > 117.651 ))
6 0.1 0.1 peak 1589 volume 12.92286 ppm1 9.363 ppm2 2.112
 
! ############### n15noe.1590 NOT folded
assi (attr store1 < 2.089 and attr store1 > 1.989 ) 
     ((attr store1 < 9.393 and attr store1 > 9.333 ) and bondedto
      (attr store1 < 118.471  and attr store1 > 117.671 ))
6 0.1 0.1 peak 1590 volume 32.63369 ppm1 9.363 ppm2 2.039
 
! ############### n15noe.1591 NOT folded
assi (attr store1 < 1.865 and attr store1 > 1.765 ) 
     ((attr store1 < 9.391 and attr store1 > 9.331 ) and bondedto
      (attr store1 < 118.49  and attr store1 > 117.69 ))
6 0.1 0.1 peak 1591 volume 9.29244 ppm1 9.361 ppm2 1.815
 
! ############### n15noe.1592 NOT folded
assi (attr store1 < 2.003 and attr store1 > 1.903 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 118.495  and attr store1 > 117.695 ))
6 0.1 0.1 peak 1592 volume 12.60417 ppm1 8.659 ppm2 1.953
 
! ############### n15noe.1593 NOT folded
assi (attr store1 < 8.796 and attr store1 > 8.696 ) 
     ((attr store1 < 8.687 and attr store1 > 8.627 ) and bondedto
      (attr store1 < 118.516  and attr store1 > 117.716 ))
6 0.1 0.1 peak 1593 volume 6.15405 ppm1 8.657 ppm2 8.746
 
! ############### n15noe.1594 NOT folded
assi (attr store1 < 4.569 and attr store1 > 4.469 ) 
     ((attr store1 < 8.686 and attr store1 > 8.626 ) and bondedto
      (attr store1 < 118.524  and attr store1 > 117.724 ))
6 0.1 0.1 peak 1594 volume 6.33809 ppm1 8.656 ppm2 4.519
 
! ############### n15noe.1595 NOT folded
assi (attr store1 < 4.234 and attr store1 > 4.134 ) 
     ((attr store1 < 8.684 and attr store1 > 8.624 ) and bondedto
      (attr store1 < 118.518  and attr store1 > 117.718 ))
6 0.1 0.1 peak 1595 volume 6.75307 ppm1 8.654 ppm2 4.184
 
! ############### n15noe.1596 NOT folded
assi ( resid 69  and name HD1% )
     ( resid 136  and name HN  )
6 0.1 0.1 peak 1596 volume 11.58782 ppm1 8.655 ppm2 0.960
 
! ############### n15noe.1597 NOT folded
assi (attr store1 < 2.262 and attr store1 > 2.162 ) 
     ((attr store1 < 8.679 and attr store1 > 8.619 ) and bondedto
      (attr store1 < 118.5  and attr store1 > 117.7 ))
6 0.1 0.1 peak 1597 volume 4.18299 ppm1 8.649 ppm2 2.212
 
! ############### n15noe.1598 NOT folded
assi (attr store1 < 1.9 and attr store1 > 1.8 ) 
     ((attr store1 < 8.68 and attr store1 > 8.62 ) and bondedto
      (attr store1 < 118.52  and attr store1 > 117.72 ))
6 0.1 0.1 peak 1598 volume 8.06061 ppm1 8.650 ppm2 1.850
 
! ############### n15noe.1599 NOT folded
assi (attr store1 < 1.751 and attr store1 > 1.651 ) 
     ((attr store1 < 8.681 and attr store1 > 8.621 ) and bondedto
      (attr store1 < 118.511  and attr store1 > 117.711 ))
6 0.1 0.1 peak 1599 volume 9.34359 ppm1 8.651 ppm2 1.701
 
! ############### n15noe.1600 NOT folded
assi (attr store1 < 1.524 and attr store1 > 1.424 ) 
     ((attr store1 < 8.682 and attr store1 > 8.622 ) and bondedto
      (attr store1 < 118.493  and attr store1 > 117.693 ))
6 0.1 0.1 peak 1600 volume 3.70536 ppm1 8.652 ppm2 1.474
 
! ############### n15noe.1601 NOT folded
assi (attr store1 < 8.798 and attr store1 > 8.698 ) 
     ((attr store1 < 8.675 and attr store1 > 8.615 ) and bondedto
      (attr store1 < 118.498  and attr store1 > 117.698 ))
6 0.1 0.1 peak 1601 volume 5.29748 ppm1 8.645 ppm2 8.748
 
! ############### n15noe.1602 NOT folded
assi (attr store1 < 2.247 and attr store1 > 2.147 ) 
     ((attr store1 < 8.673 and attr store1 > 8.613 ) and bondedto
      (attr store1 < 118.483  and attr store1 > 117.683 ))
6 0.1 0.1 peak 1602 volume 4.13519 ppm1 8.643 ppm2 2.197
 
! ############### n15noe.1603 NOT folded
assi (attr store1 < 2.223 and attr store1 > 2.123 ) 
     ((attr store1 < 8.658 and attr store1 > 8.598 ) and bondedto
      (attr store1 < 118.449  and attr store1 > 117.649 ))
6 0.1 0.1 peak 1603 volume 4.10583 ppm1 8.628 ppm2 2.173
 
! ############### n15noe.1604 NOT folded
assi (attr store1 < 2.018 and attr store1 > 1.918 ) 
     ((attr store1 < 8.657 and attr store1 > 8.597 ) and bondedto
      (attr store1 < 118.482  and attr store1 > 117.682 ))
6 0.1 0.1 peak 1604 volume 10.31609 ppm1 8.627 ppm2 1.968
 
! ############### n15noe.1605 NOT folded
assi (attr store1 < 1.836 and attr store1 > 1.736 ) 
     ((attr store1 < 8.64 and attr store1 > 8.58 ) and bondedto
      (attr store1 < 118.49  and attr store1 > 117.69 ))
6 0.1 0.1 peak 1605 volume 8.20387 ppm1 8.610 ppm2 1.786
 
! ############### n15noe.1606 NOT folded
assi (attr store1 < 1.747 and attr store1 > 1.647 ) 
     ((attr store1 < 8.64 and attr store1 > 8.58 ) and bondedto
      (attr store1 < 118.471  and attr store1 > 117.671 ))
6 0.1 0.1 peak 1606 volume 7.60049 ppm1 8.610 ppm2 1.697
 
! ############### n15noe.1607 NOT folded
assi (attr store1 < 3.12 and attr store1 > 3.02 ) 
     ((attr store1 < 8.636 and attr store1 > 8.576 ) and bondedto
      (attr store1 < 118.449  and attr store1 > 117.649 ))
6 0.1 0.1 peak 1607 volume 10.23594 ppm1 8.606 ppm2 3.070
 
! ############### n15noe.1608 NOT folded
assi (attr store1 < 2.954 and attr store1 > 2.854 ) 
     ((attr store1 < 8.635 and attr store1 > 8.575 ) and bondedto
      (attr store1 < 118.477  and attr store1 > 117.677 ))
6 0.1 0.1 peak 1608 volume 9.71787 ppm1 8.605 ppm2 2.904
 
! ############### n15noe.1609 NOT folded
assi (attr store1 < 2.311 and attr store1 > 2.211 ) 
     ((attr store1 < 8.638 and attr store1 > 8.578 ) and bondedto
      (attr store1 < 118.453  and attr store1 > 117.653 ))
6 0.1 0.1 peak 1609 volume 4.65906 ppm1 8.608 ppm2 2.261
 
! ############### n15noe.1610 NOT folded
assi (attr store1 < 2.082 and attr store1 > 1.982 ) 
     ((attr store1 < 8.633 and attr store1 > 8.573 ) and bondedto
      (attr store1 < 118.468  and attr store1 > 117.668 ))
6 0.1 0.1 peak 1610 volume 23.59379 ppm1 8.603 ppm2 2.032
 
! ############### n15noe.1611 NOT folded
assi (attr store1 < 1.624 and attr store1 > 1.524 ) 
     ((attr store1 < 8.634 and attr store1 > 8.574 ) and bondedto
      (attr store1 < 118.471  and attr store1 > 117.671 ))
6 0.1 0.1 peak 1611 volume 5.09163 ppm1 8.604 ppm2 1.574
 
! ############### n15noe.1612 NOT folded
assi (attr store1 < 8.497 and attr store1 > 8.397 ) 
     ((attr store1 < 8.63 and attr store1 > 8.57 ) and bondedto
      (attr store1 < 118.444  and attr store1 > 117.644 ))
6 0.1 0.1 peak 1612 volume 13.58253 ppm1 8.600 ppm2 8.447
 
! ############### n15noe.1613 NOT folded
assi (attr store1 < 4.187 and attr store1 > 4.087 ) 
     ((attr store1 < 8.63 and attr store1 > 8.57 ) and bondedto
      (attr store1 < 118.446  and attr store1 > 117.646 ))
6 0.1 0.1 peak 1613 volume 8.80215 ppm1 8.600 ppm2 4.137
 
! ############### n15noe.1614 NOT folded
assi (attr store1 < 4.012 and attr store1 > 3.912 ) 
     ((attr store1 < 8.631 and attr store1 > 8.571 ) and bondedto
      (attr store1 < 118.479  and attr store1 > 117.679 ))
6 0.1 0.1 peak 1614 volume 5.45399 ppm1 8.601 ppm2 3.962
 
! ############### n15noe.1615 NOT folded
assi (attr store1 < 1.988 and attr store1 > 1.888 ) 
     ((attr store1 < 8.631 and attr store1 > 8.571 ) and bondedto
      (attr store1 < 118.455  and attr store1 > 117.655 ))
6 0.1 0.1 peak 1615 volume 13.98225 ppm1 8.601 ppm2 1.938
 
! ############### n15noe.1616 NOT folded
assi (attr store1 < 8.685 and attr store1 > 8.585 ) 
     ((attr store1 < 8.476 and attr store1 > 8.416 ) and bondedto
      (attr store1 < 118.47  and attr store1 > 117.67 ))
6 0.1 0.1 peak 1616 volume 3.71422 ppm1 8.446 ppm2 8.635
 
! ############### n15noe.1617 NOT folded
assi ( resid 42  and name HA  )
     ( resid 43  and name HN  )
6 0.1 0.1 peak 1617 volume 6.56018 ppm1 8.017 ppm2 4.062
 
! ############### n15noe.1618 NOT folded
assi (attr store1 < 8.067 and attr store1 > 7.967 ) 
     ((attr store1 < 7.937 and attr store1 > 7.877 ) and bondedto
      (attr store1 < 118.48  and attr store1 > 117.68 ))
6 0.1 0.1 peak 1618 volume 5.12455 ppm1 7.907 ppm2 8.017
 
! ############### n15noe.1619 NOT folded
assi (attr store1 < 7.207 and attr store1 > 7.107 ) 
     ((attr store1 < 7.861 and attr store1 > 7.801 ) and bondedto
      (attr store1 < 118.5  and attr store1 > 117.7 ))
6 0.1 0.1 peak 1619 volume 4.99356 ppm1 7.831 ppm2 7.157
 
! ############### n15noe.1620 NOT folded
assi (attr store1 < 2.366 and attr store1 > 2.266 ) 
     ((attr store1 < 7.823 and attr store1 > 7.763 ) and bondedto
      (attr store1 < 118.49  and attr store1 > 117.69 ))
6 0.1 0.1 peak 1620 volume 5.84183 ppm1 7.793 ppm2 2.316
 
! ############### n15noe.1621 NOT folded
assi (attr store1 < 9.423 and attr store1 > 9.323 ) 
     ((attr store1 < 9.16 and attr store1 > 9.1 ) and bondedto
      (attr store1 < 118.367  and attr store1 > 117.567 ))
6 0.1 0.1 peak 1621 volume 3.52608 ppm1 9.130 ppm2 9.373
 
! ############### n15noe.1622 NOT folded
assi (attr store1 < 2.264 and attr store1 > 2.164 ) 
     ((attr store1 < 8.633 and attr store1 > 8.573 ) and bondedto
      (attr store1 < 118.427  and attr store1 > 117.627 ))
6 0.1 0.1 peak 1622 volume 5.14997 ppm1 8.603 ppm2 2.214
 
! ############### n15noe.1623 NOT folded
assi (attr store1 < 1.504 and attr store1 > 1.404 ) 
     ((attr store1 < 8.635 and attr store1 > 8.575 ) and bondedto
      (attr store1 < 118.41  and attr store1 > 117.61 ))
6 0.1 0.1 peak 1623 volume 8.74439 ppm1 8.605 ppm2 1.454
 
! ############### n15noe.1624 NOT folded
assi (attr store1 < 4.499 and attr store1 > 4.399 ) 
     ((attr store1 < 8.631 and attr store1 > 8.571 ) and bondedto
      (attr store1 < 118.427  and attr store1 > 117.627 ))
6 0.1 0.1 peak 1624 volume 4.59802 ppm1 8.601 ppm2 4.449
 
! ############### n15noe.1625 NOT folded
assi (attr store1 < 2.37 and attr store1 > 2.27 ) 
     ((attr store1 < 8.632 and attr store1 > 8.572 ) and bondedto
      (attr store1 < 118.416  and attr store1 > 117.616 ))
6 0.1 0.1 peak 1625 volume 4.45281 ppm1 8.602 ppm2 2.320
 
! ############### n15noe.1626 NOT folded
assi (attr store1 < 0.795 and attr store1 > 0.695 ) 
     ((attr store1 < 8.626 and attr store1 > 8.566 ) and bondedto
      (attr store1 < 118.433  and attr store1 > 117.633 ))
6 0.1 0.1 peak 1626 volume 3.93337 ppm1 8.596 ppm2 0.745
 
! ############### n15noe.1627 NOT folded
assi (attr store1 < 1.629 and attr store1 > 1.529 ) 
     ((attr store1 < 8.608 and attr store1 > 8.548 ) and bondedto
      (attr store1 < 118.378  and attr store1 > 117.578 ))
6 0.1 0.1 peak 1627 volume 3.53046 ppm1 8.578 ppm2 1.579
 
! ############### n15noe.1628 NOT folded
assi (attr store1 < 4.343 and attr store1 > 4.243 ) 
     ((attr store1 < 8.161 and attr store1 > 8.101 ) and bondedto
      (attr store1 < 118.389  and attr store1 > 117.589 ))
6 0.1 0.1 peak 1628 volume 7.06269 ppm1 8.131 ppm2 4.293
 
! ############### n15noe.1629 NOT folded
assi (attr store1 < 1.693 and attr store1 > 1.593 ) 
     ((attr store1 < 8.161 and attr store1 > 8.101 ) and bondedto
      (attr store1 < 118.365  and attr store1 > 117.565 ))
6 0.1 0.1 peak 1629 volume 8.02787 ppm1 8.131 ppm2 1.643
 
! ############### n15noe.1630 NOT folded
assi (attr store1 < 7.945 and attr store1 > 7.845 ) 
     ((attr store1 < 8.159 and attr store1 > 8.099 ) and bondedto
      (attr store1 < 118.382  and attr store1 > 117.582 ))
6 0.1 0.1 peak 1630 volume 34.22423 ppm1 8.129 ppm2 7.895
 
! ############### n15noe.1631 NOT folded
assi (attr store1 < 4.736 and attr store1 > 4.636 ) 
     ((attr store1 < 8.158 and attr store1 > 8.098 ) and bondedto
      (attr store1 < 118.382  and attr store1 > 117.582 ))
6 0.1 0.1 peak 1631 volume 124.75529 ppm1 8.128 ppm2 4.686
 
! ############### n15noe.1632 NOT folded
assi (attr store1 < 4.487 and attr store1 > 4.387 ) 
     ((attr store1 < 8.16 and attr store1 > 8.1 ) and bondedto
      (attr store1 < 118.379  and attr store1 > 117.579 ))
6 0.1 0.1 peak 1632 volume 39.82182 ppm1 8.130 ppm2 4.437
 
! ############### n15noe.1633 NOT folded
assi (attr store1 < 4.184 and attr store1 > 4.084 ) 
     ((attr store1 < 8.159 and attr store1 > 8.099 ) and bondedto
      (attr store1 < 118.369  and attr store1 > 117.569 ))
6 0.1 0.1 peak 1633 volume 29.79626 ppm1 8.129 ppm2 4.134
 
! ############### n15noe.1634 NOT folded
assi (attr store1 < 4.031 and attr store1 > 3.931 ) 
     ((attr store1 < 8.159 and attr store1 > 8.099 ) and bondedto
      (attr store1 < 118.362  and attr store1 > 117.562 ))
6 0.1 0.1 peak 1634 volume 46.25189 ppm1 8.129 ppm2 3.981
 
! ############### n15noe.1635 NOT folded
assi (attr store1 < 2.084 and attr store1 > 1.984 ) 
     ((attr store1 < 8.156 and attr store1 > 8.096 ) and bondedto
      (attr store1 < 118.385  and attr store1 > 117.585 ))
6 0.1 0.1 peak 1635 volume 26.62052 ppm1 8.126 ppm2 2.034
 
! ############### n15noe.1636 NOT folded
assi (attr store1 < 1.364 and attr store1 > 1.264 ) 
     ((attr store1 < 8.157 and attr store1 > 8.097 ) and bondedto
      (attr store1 < 118.353  and attr store1 > 117.553 ))
6 0.1 0.1 peak 1636 volume 5.32858 ppm1 8.127 ppm2 1.314
 
! ############### n15noe.1637 NOT folded
assi (attr store1 < 1.037 and attr store1 > 0.937 ) 
     ((attr store1 < 8.158 and attr store1 > 8.098 ) and bondedto
      (attr store1 < 118.372  and attr store1 > 117.572 ))
6 0.1 0.1 peak 1637 volume 18.25551 ppm1 8.128 ppm2 0.987
 
! ############### n15noe.1638 NOT folded
assi (attr store1 < 0.972 and attr store1 > 0.872 ) 
     ((attr store1 < 8.158 and attr store1 > 8.098 ) and bondedto
      (attr store1 < 118.361  and attr store1 > 117.561 ))
6 0.1 0.1 peak 1638 volume 9.61587 ppm1 8.128 ppm2 0.922
 
! ############### n15noe.1639 NOT folded
assi (attr store1 < 7.881 and attr store1 > 7.781 ) 
     ((attr store1 < 8.047 and attr store1 > 7.987 ) and bondedto
      (attr store1 < 118.411  and attr store1 > 117.611 ))
6 0.1 0.1 peak 1639 volume 24.70047 ppm1 8.017 ppm2 7.831
 
! ############### n15noe.1640 NOT folded
assi (attr store1 < 2.38 and attr store1 > 2.28 ) 
     ((attr store1 < 8.045 and attr store1 > 7.985 ) and bondedto
      (attr store1 < 118.415  and attr store1 > 117.615 ))
6 0.1 0.1 peak 1640 volume 29.49309 ppm1 8.015 ppm2 2.330
 
! ############### n15noe.1641 NOT folded
assi (attr store1 < 2.235 and attr store1 > 2.135 ) 
     ((attr store1 < 8.046 and attr store1 > 7.986 ) and bondedto
      (attr store1 < 118.418  and attr store1 > 117.618 ))
6 0.1 0.1 peak 1641 volume 6.64256 ppm1 8.016 ppm2 2.185
 
! ############### n15noe.1642 NOT folded
assi (attr store1 < 1.649 and attr store1 > 1.549 ) 
     ((attr store1 < 8.045 and attr store1 > 7.985 ) and bondedto
      (attr store1 < 118.403  and attr store1 > 117.603 ))
6 0.1 0.1 peak 1642 volume 5.16989 ppm1 8.015 ppm2 1.599
 
! ############### n15noe.1643 NOT folded
assi (attr store1 < 9.414 and attr store1 > 9.314 ) 
     ((attr store1 < 8.042 and attr store1 > 7.982 ) and bondedto
      (attr store1 < 118.396  and attr store1 > 117.596 ))
6 0.1 0.1 peak 1643 volume 19.78116 ppm1 8.012 ppm2 9.364
 
! ############### n15noe.1644 NOT folded
assi (attr store1 < 4.52 and attr store1 > 4.42 ) 
     ((attr store1 < 8.043 and attr store1 > 7.983 ) and bondedto
      (attr store1 < 118.396  and attr store1 > 117.596 ))
6 0.1 0.1 peak 1644 volume 12.65287 ppm1 8.013 ppm2 4.470
 
! ############### n15noe.1645 NOT folded
assi (attr store1 < 3.816 and attr store1 > 3.716 ) 
     ((attr store1 < 8.042 and attr store1 > 7.982 ) and bondedto
      (attr store1 < 118.406  and attr store1 > 117.606 ))
6 0.1 0.1 peak 1645 volume 4.90567 ppm1 8.012 ppm2 3.766
 
! ############### n15noe.1646 NOT folded
assi (attr store1 < 2.058 and attr store1 > 1.958 ) 
     ((attr store1 < 8.043 and attr store1 > 7.983 ) and bondedto
      (attr store1 < 118.403  and attr store1 > 117.603 ))
6 0.1 0.1 peak 1646 volume 25.18683 ppm1 8.013 ppm2 2.008
 
! ############### n15noe.1647 NOT folded
assi (attr store1 < 1.959 and attr store1 > 1.859 ) 
     ((attr store1 < 8.037 and attr store1 > 7.977 ) and bondedto
      (attr store1 < 118.346  and attr store1 > 117.546 ))
6 0.1 0.1 peak 1647 volume 9.87275 ppm1 8.007 ppm2 1.909
 
! ############### n15noe.1648 NOT folded
assi (attr store1 < 2.205 and attr store1 > 2.105 ) 
     ((attr store1 < 8.031 and attr store1 > 7.971 ) and bondedto
      (attr store1 < 118.403  and attr store1 > 117.603 ))
6 0.1 0.1 peak 1648 volume 4.60308 ppm1 8.001 ppm2 2.155
 
! ############### n15noe.1649 NOT folded
assi (attr store1 < 0.867 and attr store1 > 0.767 ) 
     ((attr store1 < 7.805 and attr store1 > 7.745 ) and bondedto
      (attr store1 < 118.361  and attr store1 > 117.561 ))
6 0.1 0.1 peak 1649 volume 4.21109 ppm1 7.775 ppm2 0.817
 
! ############### n15noe.1650 NOT folded
assi (attr store1 < 2.671 and attr store1 > 2.571 ) 
     ((attr store1 < 7.58 and attr store1 > 7.52 ) and bondedto
      (attr store1 < 118.349  and attr store1 > 117.549 ))
6 0.1 0.1 peak 1650 volume 4.66932 ppm1 7.550 ppm2 2.621
 
! ############### n15noe.1651 NOT folded
assi (attr store1 < 4.365 and attr store1 > 4.265 ) 
     ((attr store1 < 8.161 and attr store1 > 8.101 ) and bondedto
      (attr store1 < 118.287  and attr store1 > 117.487 ))
6 0.1 0.1 peak 1651 volume 7.03960 ppm1 8.131 ppm2 4.315
 
! ############### n15noe.1652 NOT folded
assi (attr store1 < 1.992 and attr store1 > 1.892 ) 
     ((attr store1 < 8.163 and attr store1 > 8.103 ) and bondedto
      (attr store1 < 118.295  and attr store1 > 117.495 ))
6 0.1 0.1 peak 1652 volume 5.89232 ppm1 8.133 ppm2 1.942
 
! ############### n15noe.1653 NOT folded
assi (attr store1 < 2.256 and attr store1 > 2.156 ) 
     ((attr store1 < 8.158 and attr store1 > 8.098 ) and bondedto
      (attr store1 < 118.332  and attr store1 > 117.532 ))
6 0.1 0.1 peak 1653 volume 5.18730 ppm1 8.128 ppm2 2.206
 
! ############### n15noe.1654 NOT folded
assi (attr store1 < 0.848 and attr store1 > 0.748 ) 
     ((attr store1 < 7.811 and attr store1 > 7.751 ) and bondedto
      (attr store1 < 118.279  and attr store1 > 117.479 ))
6 0.1 0.1 peak 1654 volume 4.38052 ppm1 7.781 ppm2 0.798
 
! ############### n15noe.1655 NOT folded
assi (attr store1 < 7.598 and attr store1 > 7.498 ) 
     ((attr store1 < 7.804 and attr store1 > 7.744 ) and bondedto
      (attr store1 < 118.304  and attr store1 > 117.504 ))
6 0.1 0.1 peak 1655 volume 8.64858 ppm1 7.774 ppm2 7.548
 
! ############### n15noe.1656 NOT folded
assi (attr store1 < 4.578 and attr store1 > 4.478 ) 
     ((attr store1 < 7.805 and attr store1 > 7.745 ) and bondedto
      (attr store1 < 118.311  and attr store1 > 117.511 ))
6 0.1 0.1 peak 1656 volume 4.88929 ppm1 7.775 ppm2 4.528
 
! ############### n15noe.1657 NOT folded
assi (attr store1 < 4.481 and attr store1 > 4.381 ) 
     ((attr store1 < 7.803 and attr store1 > 7.743 ) and bondedto
      (attr store1 < 118.289  and attr store1 > 117.489 ))
6 0.1 0.1 peak 1657 volume 9.57174 ppm1 7.773 ppm2 4.431
 
! ############### n15noe.1658 NOT folded
assi (attr store1 < 4.194 and attr store1 > 4.094 ) 
     ((attr store1 < 7.804 and attr store1 > 7.744 ) and bondedto
      (attr store1 < 118.302  and attr store1 > 117.502 ))
6 0.1 0.1 peak 1658 volume 33.25433 ppm1 7.774 ppm2 4.144
 
! ############### n15noe.1659 NOT folded
assi (attr store1 < 4.05 and attr store1 > 3.95 ) 
     ((attr store1 < 7.805 and attr store1 > 7.745 ) and bondedto
      (attr store1 < 118.293  and attr store1 > 117.493 ))
6 0.1 0.1 peak 1659 volume 10.81738 ppm1 7.775 ppm2 4.000
 
! ############### n15noe.1660 NOT folded
assi (attr store1 < 2.819 and attr store1 > 2.719 ) 
     ((attr store1 < 7.806 and attr store1 > 7.746 ) and bondedto
      (attr store1 < 118.293  and attr store1 > 117.493 ))
6 0.1 0.1 peak 1660 volume 4.49424 ppm1 7.776 ppm2 2.769
 
! ############### n15noe.1661 NOT folded
assi (attr store1 < 2.539 and attr store1 > 2.439 ) 
     ((attr store1 < 7.804 and attr store1 > 7.744 ) and bondedto
      (attr store1 < 118.298  and attr store1 > 117.498 ))
6 0.1 0.1 peak 1661 volume 20.33905 ppm1 7.774 ppm2 2.489
 
! ############### n15noe.1662 NOT folded
assi (attr store1 < 2.444 and attr store1 > 2.344 ) 
     ((attr store1 < 7.805 and attr store1 > 7.745 ) and bondedto
      (attr store1 < 118.308  and attr store1 > 117.508 ))
6 0.1 0.1 peak 1662 volume 16.96476 ppm1 7.775 ppm2 2.394
 
! ############### n15noe.1663 NOT folded
assi (attr store1 < 2.364 and attr store1 > 2.264 ) 
     ((attr store1 < 7.807 and attr store1 > 7.747 ) and bondedto
      (attr store1 < 118.31  and attr store1 > 117.51 ))
6 0.1 0.1 peak 1663 volume 6.47903 ppm1 7.777 ppm2 2.314
 
! ############### n15noe.1664 NOT folded
assi (attr store1 < 2.259 and attr store1 > 2.159 ) 
     ((attr store1 < 7.803 and attr store1 > 7.743 ) and bondedto
      (attr store1 < 118.299  and attr store1 > 117.499 ))
6 0.1 0.1 peak 1664 volume 53.03878 ppm1 7.773 ppm2 2.209
 
! ############### n15noe.1665 NOT folded
assi (attr store1 < 1.617 and attr store1 > 1.517 ) 
     ((attr store1 < 7.804 and attr store1 > 7.744 ) and bondedto
      (attr store1 < 118.299  and attr store1 > 117.499 ))
6 0.1 0.1 peak 1665 volume 4.13749 ppm1 7.774 ppm2 1.567
 
! ############### n15noe.1666 NOT folded
assi (attr store1 < 0.993 and attr store1 > 0.893 ) 
     ((attr store1 < 7.805 and attr store1 > 7.745 ) and bondedto
      (attr store1 < 118.287  and attr store1 > 117.487 ))
6 0.1 0.1 peak 1666 volume 4.25031 ppm1 7.775 ppm2 0.943
 
! ############### n15noe.1667 NOT folded
assi (attr store1 < 8.496 and attr store1 > 8.396 ) 
     ((attr store1 < 7.802 and attr store1 > 7.742 ) and bondedto
      (attr store1 < 118.301  and attr store1 > 117.501 ))
6 0.1 0.1 peak 1667 volume 22.64190 ppm1 7.772 ppm2 8.446
 
! ############### n15noe.1668 NOT folded
assi (attr store1 < 2.914 and attr store1 > 2.814 ) 
     ((attr store1 < 7.802 and attr store1 > 7.742 ) and bondedto
      (attr store1 < 118.291  and attr store1 > 117.491 ))
6 0.1 0.1 peak 1668 volume 16.40346 ppm1 7.772 ppm2 2.864
 
! ############### n15noe.1669 NOT folded
assi (attr store1 < 2.71 and attr store1 > 2.61 ) 
     ((attr store1 < 7.803 and attr store1 > 7.743 ) and bondedto
      (attr store1 < 118.284  and attr store1 > 117.484 ))
6 0.1 0.1 peak 1669 volume 14.50350 ppm1 7.773 ppm2 2.660
 
! ############### n15noe.1670 NOT folded
assi (attr store1 < 2.442 and attr store1 > 2.342 ) 
     ((attr store1 < 7.797 and attr store1 > 7.737 ) and bondedto
      (attr store1 < 118.293  and attr store1 > 117.493 ))
6 0.1 0.1 peak 1670 volume 15.93473 ppm1 7.767 ppm2 2.392
 
! ############### n15noe.1671 NOT folded
assi (attr store1 < 2.364 and attr store1 > 2.264 ) 
     ((attr store1 < 7.795 and attr store1 > 7.735 ) and bondedto
      (attr store1 < 118.29  and attr store1 > 117.49 ))
6 0.1 0.1 peak 1671 volume 7.22906 ppm1 7.765 ppm2 2.314
 
! ############### n15noe.1672 NOT folded
assi (attr store1 < 2.151 and attr store1 > 2.051 ) 
     ((attr store1 < 7.795 and attr store1 > 7.735 ) and bondedto
      (attr store1 < 118.297  and attr store1 > 117.497 ))
6 0.1 0.1 peak 1672 volume 4.26606 ppm1 7.765 ppm2 2.101
 
! ############### n15noe.1673 NOT folded
assi (attr store1 < 2.246 and attr store1 > 2.146 ) 
     ((attr store1 < 7.679 and attr store1 > 7.619 ) and bondedto
      (attr store1 < 118.294  and attr store1 > 117.494 ))
6 0.1 0.1 peak 1673 volume 3.65816 ppm1 7.649 ppm2 2.196
 
! ############### n15noe.1674 NOT folded
assi (attr store1 < 1.444 and attr store1 > 1.344 ) 
     ((attr store1 < 7.589 and attr store1 > 7.529 ) and bondedto
      (attr store1 < 118.29  and attr store1 > 117.49 ))
6 0.1 0.1 peak 1674 volume 6.92683 ppm1 7.559 ppm2 1.394
 
! ############### n15noe.1675 NOT folded
assi (attr store1 < 1.703 and attr store1 > 1.603 ) 
     ((attr store1 < 7.585 and attr store1 > 7.525 ) and bondedto
      (attr store1 < 118.303  and attr store1 > 117.503 ))
6 0.1 0.1 peak 1675 volume 29.32810 ppm1 7.555 ppm2 1.653
 
! ############### n15noe.1676 NOT folded
assi (attr store1 < 7.953 and attr store1 > 7.853 ) 
     ((attr store1 < 7.579 and attr store1 > 7.519 ) and bondedto
      (attr store1 < 118.299  and attr store1 > 117.499 ))
6 0.1 0.1 peak 1676 volume 15.02989 ppm1 7.549 ppm2 7.903
 
! ############### n15noe.1677 NOT folded
assi (attr store1 < 4.393 and attr store1 > 4.293 ) 
     ((attr store1 < 7.581 and attr store1 > 7.521 ) and bondedto
      (attr store1 < 118.307  and attr store1 > 117.507 ))
6 0.1 0.1 peak 1677 volume 16.89360 ppm1 7.551 ppm2 4.343
 
! ############### n15noe.1678 NOT folded
assi (attr store1 < 4.097 and attr store1 > 3.997 ) 
     ((attr store1 < 7.58 and attr store1 > 7.52 ) and bondedto
      (attr store1 < 118.281  and attr store1 > 117.481 ))
6 0.1 0.1 peak 1678 volume 13.20528 ppm1 7.550 ppm2 4.047
 
! ############### n15noe.1679 NOT folded
assi (attr store1 < 2.183 and attr store1 > 2.083 ) 
     ((attr store1 < 7.581 and attr store1 > 7.521 ) and bondedto
      (attr store1 < 118.249  and attr store1 > 117.449 ))
6 0.1 0.1 peak 1679 volume 5.69873 ppm1 7.551 ppm2 2.133
 
! ############### n15noe.1680 NOT folded
assi (attr store1 < 2.107 and attr store1 > 2.007 ) 
     ((attr store1 < 7.581 and attr store1 > 7.521 ) and bondedto
      (attr store1 < 118.292  and attr store1 > 117.492 ))
6 0.1 0.1 peak 1680 volume 22.53430 ppm1 7.551 ppm2 2.057
 
! ############### n15noe.1681 NOT folded
assi (attr store1 < 1.817 and attr store1 > 1.717 ) 
     ((attr store1 < 7.58 and attr store1 > 7.52 ) and bondedto
      (attr store1 < 118.308  and attr store1 > 117.508 ))
6 0.1 0.1 peak 1681 volume 4.35574 ppm1 7.550 ppm2 1.767
 
! ############### n15noe.1682 NOT folded
assi (attr store1 < 1.594 and attr store1 > 1.494 ) 
     ((attr store1 < 7.582 and attr store1 > 7.522 ) and bondedto
      (attr store1 < 118.311  and attr store1 > 117.511 ))
6 0.1 0.1 peak 1682 volume 12.85694 ppm1 7.552 ppm2 1.544
 
! ############### n15noe.1683 NOT folded
assi (attr store1 < 1.533 and attr store1 > 1.433 ) 
     ((attr store1 < 7.581 and attr store1 > 7.521 ) and bondedto
      (attr store1 < 118.297  and attr store1 > 117.497 ))
6 0.1 0.1 peak 1683 volume 28.27627 ppm1 7.551 ppm2 1.483
 
! ############### n15noe.1684 NOT folded
assi (attr store1 < 1.447 and attr store1 > 1.347 ) 
     ((attr store1 < 7.582 and attr store1 > 7.522 ) and bondedto
      (attr store1 < 118.308  and attr store1 > 117.508 ))
6 0.1 0.1 peak 1684 volume 7.09153 ppm1 7.552 ppm2 1.397
 
! ############### n15noe.1685 NOT folded
assi (attr store1 < 1.102 and attr store1 > 1.002 ) 
     ((attr store1 < 7.58 and attr store1 > 7.52 ) and bondedto
      (attr store1 < 118.274  and attr store1 > 117.474 ))
6 0.1 0.1 peak 1685 volume 8.50597 ppm1 7.550 ppm2 1.052
 
! ############### n15noe.1686 NOT folded
assi (attr store1 < 0.922 and attr store1 > 0.822 ) 
     ((attr store1 < 7.582 and attr store1 > 7.522 ) and bondedto
      (attr store1 < 118.29  and attr store1 > 117.49 ))
6 0.1 0.1 peak 1686 volume 11.68467 ppm1 7.552 ppm2 0.872
 
! ############### n15noe.1687 NOT folded
assi (attr store1 < 1.703 and attr store1 > 1.603 ) 
     ((attr store1 < 7.576 and attr store1 > 7.516 ) and bondedto
      (attr store1 < 118.301  and attr store1 > 117.501 ))
6 0.1 0.1 peak 1687 volume 29.39163 ppm1 7.546 ppm2 1.653
 
! ############### n15noe.1688 NOT folded
assi (attr store1 < 1.442 and attr store1 > 1.342 ) 
     ((attr store1 < 7.565 and attr store1 > 7.505 ) and bondedto
      (attr store1 < 118.267  and attr store1 > 117.467 ))
6 0.1 0.1 peak 1688 volume 5.06666 ppm1 7.535 ppm2 1.392
 
! ############### n15noe.1689 NOT folded
assi (attr store1 < 1.703 and attr store1 > 1.603 ) 
     ((attr store1 < 7.537 and attr store1 > 7.477 ) and bondedto
      (attr store1 < 118.305  and attr store1 > 117.505 ))
6 0.1 0.1 peak 1689 volume 6.19127 ppm1 7.507 ppm2 1.653
 
! ############### n15noe.1690 NOT folded
assi (attr store1 < 1.537 and attr store1 > 1.437 ) 
     ((attr store1 < 7.534 and attr store1 > 7.474 ) and bondedto
      (attr store1 < 118.256  and attr store1 > 117.456 ))
6 0.1 0.1 peak 1690 volume 5.84872 ppm1 7.504 ppm2 1.487
 
! ############### n15noe.1691 NOT folded
assi (attr store1 < 1.28 and attr store1 > 1.18 ) 
     ((attr store1 < 8.165 and attr store1 > 8.105 ) and bondedto
      (attr store1 < 118.164  and attr store1 > 117.364 ))
6 0.1 0.1 peak 1691 volume 5.03354 ppm1 8.135 ppm2 1.230
 
! ############### n15noe.1692 NOT folded
assi (attr store1 < 0.904 and attr store1 > 0.804 ) 
     ((attr store1 < 8.163 and attr store1 > 8.103 ) and bondedto
      (attr store1 < 118.201  and attr store1 > 117.401 ))
6 0.1 0.1 peak 1692 volume 5.73945 ppm1 8.133 ppm2 0.854
 
! ############### n15noe.1693 NOT folded
assi (attr store1 < 1.695 and attr store1 > 1.595 ) 
     ((attr store1 < 8.158 and attr store1 > 8.098 ) and bondedto
      (attr store1 < 118.241  and attr store1 > 117.441 ))
6 0.1 0.1 peak 1693 volume 7.81206 ppm1 8.128 ppm2 1.645
 
! ############### n15noe.1694 NOT folded
assi (attr store1 < 0.921 and attr store1 > 0.821 ) 
     ((attr store1 < 7.807 and attr store1 > 7.747 ) and bondedto
      (attr store1 < 118.219  and attr store1 > 117.419 ))
6 0.1 0.1 peak 1694 volume 3.52866 ppm1 7.777 ppm2 0.871
 
! ############### n15noe.1695 NOT folded
assi (attr store1 < 4.221 and attr store1 > 4.121 ) 
     ((attr store1 < 7.614 and attr store1 > 7.554 ) and bondedto
      (attr store1 < 118.184  and attr store1 > 117.384 ))
6 0.1 0.1 peak 1695 volume 3.53005 ppm1 7.584 ppm2 4.171
 
! ############### n15noe.1696 NOT folded
assi (attr store1 < 8.493 and attr store1 > 8.393 ) 
     ((attr store1 < 7.572 and attr store1 > 7.512 ) and bondedto
      (attr store1 < 118.232  and attr store1 > 117.432 ))
6 0.1 0.1 peak 1696 volume 3.63407 ppm1 7.542 ppm2 8.443
 
! ############### n15noe.1697 NOT folded
assi (attr store1 < 4.377 and attr store1 > 4.277 ) 
     ((attr store1 < 7.532 and attr store1 > 7.472 ) and bondedto
      (attr store1 < 118.233  and attr store1 > 117.433 ))
6 0.1 0.1 peak 1697 volume 4.00797 ppm1 7.502 ppm2 4.327
 
! ############### n15noe.1698 NOT folded
assi (attr store1 < 8.498 and attr store1 > 8.398 ) 
     ((attr store1 < 8.163 and attr store1 > 8.103 ) and bondedto
      (attr store1 < 118.111  and attr store1 > 117.311 ))
6 0.1 0.1 peak 1698 volume 37.16869 ppm1 8.133 ppm2 8.448
 
! ############### n15noe.1699 NOT folded
assi (attr store1 < 5.743 and attr store1 > 5.643 ) 
     ((attr store1 < 8.163 and attr store1 > 8.103 ) and bondedto
      (attr store1 < 118.082  and attr store1 > 117.282 ))
6 0.1 0.1 peak 1699 volume 4.47020 ppm1 8.133 ppm2 5.693
 
! ############### n15noe.1700 NOT folded
assi (attr store1 < 4.547 and attr store1 > 4.447 ) 
     ((attr store1 < 8.161 and attr store1 > 8.101 ) and bondedto
      (attr store1 < 118.122  and attr store1 > 117.322 ))
6 0.1 0.1 peak 1700 volume 27.44851 ppm1 8.131 ppm2 4.497
 
! ############### n15noe.1701 NOT folded
assi (attr store1 < 1.609 and attr store1 > 1.509 ) 
     ((attr store1 < 8.163 and attr store1 > 8.103 ) and bondedto
      (attr store1 < 118.102  and attr store1 > 117.302 ))
6 0.1 0.1 peak 1701 volume 28.77644 ppm1 8.133 ppm2 1.559
 
! ############### n15noe.1702 NOT folded
assi (attr store1 < 1.166 and attr store1 > 1.066 ) 
     ((attr store1 < 8.162 and attr store1 > 8.102 ) and bondedto
      (attr store1 < 118.095  and attr store1 > 117.295 ))
6 0.1 0.1 peak 1702 volume 13.96684 ppm1 8.132 ppm2 1.116
 
! ############### n15noe.1703 NOT folded
assi (attr store1 < 2.535 and attr store1 > 2.435 ) 
     ((attr store1 < 8.158 and attr store1 > 8.098 ) and bondedto
      (attr store1 < 118.11  and attr store1 > 117.31 ))
6 0.1 0.1 peak 1703 volume 7.24804 ppm1 8.128 ppm2 2.485
 
! ############### n15noe.1704 NOT folded
assi (attr store1 < 1.156 and attr store1 > 1.056 ) 
     ((attr store1 < 8.006 and attr store1 > 7.946 ) and bondedto
      (attr store1 < 118.12  and attr store1 > 117.32 ))
6 0.1 0.1 peak 1704 volume 3.72925 ppm1 7.976 ppm2 1.106
 
! ############### n15noe.1705 NOT folded
assi (attr store1 < 1.076 and attr store1 > 0.976 ) 
     ((attr store1 < 8.007 and attr store1 > 7.947 ) and bondedto
      (attr store1 < 118.114  and attr store1 > 117.314 ))
6 0.1 0.1 peak 1705 volume 4.55975 ppm1 7.977 ppm2 1.026
 
! ############### n15noe.1706 NOT folded
assi (attr store1 < 2.331 and attr store1 > 2.231 ) 
     ((attr store1 < 7.949 and attr store1 > 7.889 ) and bondedto
      (attr store1 < 118.064  and attr store1 > 117.264 ))
6 0.1 0.1 peak 1706 volume 3.85189 ppm1 7.919 ppm2 2.281
 
! ############### n15noe.1707 NOT folded
assi (attr store1 < 2.302 and attr store1 > 2.202 ) 
     ((attr store1 < 7.942 and attr store1 > 7.882 ) and bondedto
      (attr store1 < 118.064  and attr store1 > 117.264 ))
6 0.1 0.1 peak 1707 volume 3.94730 ppm1 7.912 ppm2 2.252
 
! ############### n15noe.1708 NOT folded
assi (attr store1 < 2.35 and attr store1 > 2.25 ) 
     ((attr store1 < 7.628 and attr store1 > 7.568 ) and bondedto
      (attr store1 < 118.106  and attr store1 > 117.306 ))
6 0.1 0.1 peak 1708 volume 8.68280 ppm1 7.598 ppm2 2.300
 
! ############### n15noe.1709 NOT folded
assi (attr store1 < 4.094 and attr store1 > 3.994 ) 
     ((attr store1 < 7.62 and attr store1 > 7.56 ) and bondedto
      (attr store1 < 118.064  and attr store1 > 117.264 ))
6 0.1 0.1 peak 1709 volume 19.30634 ppm1 7.590 ppm2 4.044
 
! ############### n15noe.1710 NOT folded
assi (attr store1 < 2.158 and attr store1 > 2.058 ) 
     ((attr store1 < 7.619 and attr store1 > 7.559 ) and bondedto
      (attr store1 < 118.076  and attr store1 > 117.276 ))
6 0.1 0.1 peak 1710 volume 9.35945 ppm1 7.589 ppm2 2.108
 
! ############### n15noe.1711 NOT folded
assi (attr store1 < 2.089 and attr store1 > 1.989 ) 
     ((attr store1 < 7.619 and attr store1 > 7.559 ) and bondedto
      (attr store1 < 118.082  and attr store1 > 117.282 ))
6 0.1 0.1 peak 1711 volume 14.21359 ppm1 7.589 ppm2 2.039
 
! ############### n15noe.1712 NOT folded
assi (attr store1 < 1.471 and attr store1 > 1.371 ) 
     ((attr store1 < 7.619 and attr store1 > 7.559 ) and bondedto
      (attr store1 < 118.085  and attr store1 > 117.285 ))
6 0.1 0.1 peak 1712 volume 5.82904 ppm1 7.589 ppm2 1.421
 
! ############### n15noe.1713 NOT folded
assi (attr store1 < 9.23 and attr store1 > 9.13 ) 
     ((attr store1 < 8.009 and attr store1 > 7.949 ) and bondedto
      (attr store1 < 118.004  and attr store1 > 117.204 ))
6 0.1 0.1 peak 1713 volume 16.46574 ppm1 7.979 ppm2 9.180
 
! ############### n15noe.1714 NOT folded
assi (attr store1 < 8.519 and attr store1 > 8.419 ) 
     ((attr store1 < 8.007 and attr store1 > 7.947 ) and bondedto
      (attr store1 < 118.004  and attr store1 > 117.204 ))
6 0.1 0.1 peak 1714 volume 5.12339 ppm1 7.977 ppm2 8.469
 
! ############### n15noe.1715 NOT folded
assi (attr store1 < 7.537 and attr store1 > 7.437 ) 
     ((attr store1 < 8.01 and attr store1 > 7.95 ) and bondedto
      (attr store1 < 118.005  and attr store1 > 117.205 ))
6 0.1 0.1 peak 1715 volume 19.14403 ppm1 7.980 ppm2 7.487
 
! ############### n15noe.1716 NOT folded
assi (attr store1 < 4.06 and attr store1 > 3.96 ) 
     ((attr store1 < 8.011 and attr store1 > 7.951 ) and bondedto
      (attr store1 < 118.007  and attr store1 > 117.207 ))
6 0.1 0.1 peak 1716 volume 11.11216 ppm1 7.981 ppm2 4.010
 
! ############### n15noe.1717 NOT folded
assi (attr store1 < 3.889 and attr store1 > 3.789 ) 
     ((attr store1 < 8.007 and attr store1 > 7.947 ) and bondedto
      (attr store1 < 117.996  and attr store1 > 117.196 ))
6 0.1 0.1 peak 1717 volume 8.32941 ppm1 7.977 ppm2 3.839
 
! ############### n15noe.1718 NOT folded
assi (attr store1 < 3.542 and attr store1 > 3.442 ) 
     ((attr store1 < 8.009 and attr store1 > 7.949 ) and bondedto
      (attr store1 < 118.018  and attr store1 > 117.218 ))
6 0.1 0.1 peak 1718 volume 18.02373 ppm1 7.979 ppm2 3.492
 
! ############### n15noe.1719 NOT folded
assi (attr store1 < 1.706 and attr store1 > 1.606 ) 
     ((attr store1 < 8.007 and attr store1 > 7.947 ) and bondedto
      (attr store1 < 117.982  and attr store1 > 117.182 ))
6 0.1 0.1 peak 1719 volume 4.51628 ppm1 7.977 ppm2 1.656
 
! ############### n15noe.1720 NOT folded
assi (attr store1 < 1.547 and attr store1 > 1.447 ) 
     ((attr store1 < 8.008 and attr store1 > 7.948 ) and bondedto
      (attr store1 < 118.021  and attr store1 > 117.221 ))
6 0.1 0.1 peak 1720 volume 9.90356 ppm1 7.978 ppm2 1.497
 
! ############### n15noe.1721 NOT folded
assi (attr store1 < 1.451 and attr store1 > 1.351 ) 
     ((attr store1 < 8.008 and attr store1 > 7.948 ) and bondedto
      (attr store1 < 118.02  and attr store1 > 117.22 ))
6 0.1 0.1 peak 1721 volume 24.11150 ppm1 7.978 ppm2 1.401
 
! ############### n15noe.1722 NOT folded
assi (attr store1 < 1.126 and attr store1 > 1.026 ) 
     ((attr store1 < 8.007 and attr store1 > 7.947 ) and bondedto
      (attr store1 < 117.974  and attr store1 > 117.174 ))
6 0.1 0.1 peak 1722 volume 3.95861 ppm1 7.977 ppm2 1.076
 
! ############### n15noe.1723 NOT folded
assi (attr store1 < 1.045 and attr store1 > 0.945 ) 
     ((attr store1 < 8.008 and attr store1 > 7.948 ) and bondedto
      (attr store1 < 117.97  and attr store1 > 117.17 ))
6 0.1 0.1 peak 1723 volume 6.52705 ppm1 7.978 ppm2 0.995
 
! ############### n15noe.1724 NOT folded
assi (attr store1 < 0.919 and attr store1 > 0.819 ) 
     ((attr store1 < 8.008 and attr store1 > 7.948 ) and bondedto
      (attr store1 < 117.997  and attr store1 > 117.197 ))
6 0.1 0.1 peak 1724 volume 60.77853 ppm1 7.978 ppm2 0.869
 
! ############### n15noe.1725 NOT folded
assi (attr store1 < 2.103 and attr store1 > 2.003 ) 
     ((attr store1 < 8.006 and attr store1 > 7.946 ) and bondedto
      (attr store1 < 117.994  and attr store1 > 117.194 ))
6 0.1 0.1 peak 1725 volume 32.52240 ppm1 7.976 ppm2 2.053
 
! ############### n15noe.1726 NOT folded
assi (attr store1 < 1.756 and attr store1 > 1.656 ) 
     ((attr store1 < 7.95 and attr store1 > 7.89 ) and bondedto
      (attr store1 < 118.008  and attr store1 > 117.208 ))
6 0.1 0.1 peak 1726 volume 4.63652 ppm1 7.920 ppm2 1.706
 
! ############### n15noe.1727 NOT folded
assi (attr store1 < 1.539 and attr store1 > 1.439 ) 
     ((attr store1 < 7.949 and attr store1 > 7.889 ) and bondedto
      (attr store1 < 117.982  and attr store1 > 117.182 ))
6 0.1 0.1 peak 1727 volume 3.66571 ppm1 7.919 ppm2 1.489
 
! ############### n15noe.1728 NOT folded
assi (attr store1 < 1.464 and attr store1 > 1.364 ) 
     ((attr store1 < 7.95 and attr store1 > 7.89 ) and bondedto
      (attr store1 < 118.009  and attr store1 > 117.209 ))
6 0.1 0.1 peak 1728 volume 9.24133 ppm1 7.920 ppm2 1.414
 
! ############### n15noe.1729 NOT folded
assi (attr store1 < 1.13 and attr store1 > 1.03 ) 
     ((attr store1 < 7.947 and attr store1 > 7.887 ) and bondedto
      (attr store1 < 117.992  and attr store1 > 117.192 ))
6 0.1 0.1 peak 1729 volume 6.95905 ppm1 7.917 ppm2 1.080
 
! ############### n15noe.1730 NOT folded
assi (attr store1 < 0.924 and attr store1 > 0.824 ) 
     ((attr store1 < 7.946 and attr store1 > 7.886 ) and bondedto
      (attr store1 < 118.004  and attr store1 > 117.204 ))
6 0.1 0.1 peak 1730 volume 25.46392 ppm1 7.916 ppm2 0.874
 
! ############### n15noe.1731 NOT folded
assi (attr store1 < 0.656 and attr store1 > 0.556 ) 
     ((attr store1 < 7.948 and attr store1 > 7.888 ) and bondedto
      (attr store1 < 117.986  and attr store1 > 117.186 ))
6 0.1 0.1 peak 1731 volume 5.77547 ppm1 7.918 ppm2 0.606
 
! ############### n15noe.1732 NOT folded
assi (attr store1 < 8.229 and attr store1 > 8.129 ) 
     ((attr store1 < 7.942 and attr store1 > 7.882 ) and bondedto
      (attr store1 < 118.03  and attr store1 > 117.23 ))
6 0.1 0.1 peak 1732 volume 8.45799 ppm1 7.912 ppm2 8.179
 
! ############### n15noe.1733 NOT folded
assi (attr store1 < 7.857 and attr store1 > 7.757 ) 
     ((attr store1 < 7.942 and attr store1 > 7.882 ) and bondedto
      (attr store1 < 118.002  and attr store1 > 117.202 ))
6 0.1 0.1 peak 1733 volume 18.98772 ppm1 7.912 ppm2 7.807
 
! ############### n15noe.1734 NOT folded
assi (attr store1 < 4.095 and attr store1 > 3.995 ) 
     ((attr store1 < 7.945 and attr store1 > 7.885 ) and bondedto
      (attr store1 < 118.01  and attr store1 > 117.21 ))
6 0.1 0.1 peak 1734 volume 6.45330 ppm1 7.915 ppm2 4.045
 
! ############### n15noe.1735 NOT folded
assi (attr store1 < 4.006 and attr store1 > 3.906 ) 
     ((attr store1 < 7.944 and attr store1 > 7.884 ) and bondedto
      (attr store1 < 118.002  and attr store1 > 117.202 ))
6 0.1 0.1 peak 1735 volume 14.23793 ppm1 7.914 ppm2 3.956
 
! ############### n15noe.1736 NOT folded
assi (attr store1 < 1.647 and attr store1 > 1.547 ) 
     ((attr store1 < 7.943 and attr store1 > 7.883 ) and bondedto
      (attr store1 < 118.013  and attr store1 > 117.213 ))
6 0.1 0.1 peak 1736 volume 4.27521 ppm1 7.913 ppm2 1.597
 
! ############### n15noe.1737 NOT folded
assi (attr store1 < 1.013 and attr store1 > 0.913 ) 
     ((attr store1 < 7.943 and attr store1 > 7.883 ) and bondedto
      (attr store1 < 118.026  and attr store1 > 117.226 ))
6 0.1 0.1 peak 1737 volume 7.05462 ppm1 7.913 ppm2 0.963
 
! ############### n15noe.1738 NOT folded
assi (attr store1 < 8.865 and attr store1 > 8.765 ) 
     ((attr store1 < 7.622 and attr store1 > 7.562 ) and bondedto
      (attr store1 < 118.017  and attr store1 > 117.217 ))
6 0.1 0.1 peak 1738 volume 13.79560 ppm1 7.592 ppm2 8.815
 
! ############### n15noe.1739 NOT folded
assi (attr store1 < 8.268 and attr store1 > 8.168 ) 
     ((attr store1 < 7.623 and attr store1 > 7.563 ) and bondedto
      (attr store1 < 117.978  and attr store1 > 117.178 ))
6 0.1 0.1 peak 1739 volume 3.54462 ppm1 7.593 ppm2 8.218
 
! ############### n15noe.1740 NOT folded
assi (attr store1 < 7.348 and attr store1 > 7.248 ) 
     ((attr store1 < 7.624 and attr store1 > 7.564 ) and bondedto
      (attr store1 < 118.037  and attr store1 > 117.237 ))
6 0.1 0.1 peak 1740 volume 14.41563 ppm1 7.594 ppm2 7.298
 
! ############### n15noe.1741 NOT folded
assi (attr store1 < 2.529 and attr store1 > 2.429 ) 
     ((attr store1 < 7.622 and attr store1 > 7.562 ) and bondedto
      (attr store1 < 118.025  and attr store1 > 117.225 ))
6 0.1 0.1 peak 1741 volume 14.65016 ppm1 7.592 ppm2 2.479
 
! ############### n15noe.1742 NOT folded
assi (attr store1 < 2.259 and attr store1 > 2.159 ) 
     ((attr store1 < 7.624 and attr store1 > 7.564 ) and bondedto
      (attr store1 < 118.027  and attr store1 > 117.227 ))
6 0.1 0.1 peak 1742 volume 32.40983 ppm1 7.594 ppm2 2.209
 
! ############### n15noe.1743 NOT folded
assi (attr store1 < 4.32 and attr store1 > 4.22 ) 
     ((attr store1 < 7.619 and attr store1 > 7.559 ) and bondedto
      (attr store1 < 118.02  and attr store1 > 117.22 ))
6 0.1 0.1 peak 1743 volume 9.59605 ppm1 7.589 ppm2 4.270
 
! ############### n15noe.1744 NOT folded
assi (attr store1 < 3.782 and attr store1 > 3.682 ) 
     ((attr store1 < 7.621 and attr store1 > 7.561 ) and bondedto
      (attr store1 < 118.011  and attr store1 > 117.211 ))
6 0.1 0.1 peak 1744 volume 6.22891 ppm1 7.591 ppm2 3.732
 
! ############### n15noe.1745 NOT folded
assi (attr store1 < 3.628 and attr store1 > 3.528 ) 
     ((attr store1 < 7.62 and attr store1 > 7.56 ) and bondedto
      (attr store1 < 117.985  and attr store1 > 117.185 ))
6 0.1 0.1 peak 1745 volume 3.55831 ppm1 7.590 ppm2 3.578
 
! ############### n15noe.1746 NOT folded
assi (attr store1 < 2.444 and attr store1 > 2.344 ) 
     ((attr store1 < 7.62 and attr store1 > 7.56 ) and bondedto
      (attr store1 < 118.024  and attr store1 > 117.224 ))
6 0.1 0.1 peak 1746 volume 21.08023 ppm1 7.590 ppm2 2.394
 
! ############### n15noe.1747 NOT folded
assi (attr store1 < 2.272 and attr store1 > 2.172 ) 
     ((attr store1 < 7.62 and attr store1 > 7.56 ) and bondedto
      (attr store1 < 118.008  and attr store1 > 117.208 ))
6 0.1 0.1 peak 1747 volume 32.36837 ppm1 7.590 ppm2 2.222
 
! ############### n15noe.1748 NOT folded
assi (attr store1 < 1.916 and attr store1 > 1.816 ) 
     ((attr store1 < 7.619 and attr store1 > 7.559 ) and bondedto
      (attr store1 < 118.031  and attr store1 > 117.231 ))
6 0.1 0.1 peak 1748 volume 10.80628 ppm1 7.589 ppm2 1.866
 
! ############### n15noe.1749 NOT folded
assi (attr store1 < 1.1 and attr store1 > 1.0 ) 
     ((attr store1 < 7.618 and attr store1 > 7.558 ) and bondedto
      (attr store1 < 118.032  and attr store1 > 117.232 ))
6 0.1 0.1 peak 1749 volume 6.52503 ppm1 7.588 ppm2 1.050
 
! ############### n15noe.1750 NOT folded
assi (attr store1 < 0.951 and attr store1 > 0.851 ) 
     ((attr store1 < 7.619 and attr store1 > 7.559 ) and bondedto
      (attr store1 < 118.038  and attr store1 > 117.238 ))
6 0.1 0.1 peak 1750 volume 10.65830 ppm1 7.589 ppm2 0.901
 
! ############### n15noe.1751 NOT folded
assi (attr store1 < 2.012 and attr store1 > 1.912 ) 
     ((attr store1 < 7.611 and attr store1 > 7.551 ) and bondedto
      (attr store1 < 118.017  and attr store1 > 117.217 ))
6 0.1 0.1 peak 1751 volume 5.03398 ppm1 7.581 ppm2 1.962
 
! ############### n15noe.1752 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 8.227 and attr store1 > 8.167 ) and bondedto
      (attr store1 < 117.91  and attr store1 > 117.11 ))
6 0.1 0.1 peak 1752 volume 15.79106 ppm1 8.197 ppm2 4.688
 
! ############### n15noe.1753 NOT folded
assi (attr store1 < 4.736 and attr store1 > 4.636 ) 
     ((attr store1 < 8.219 and attr store1 > 8.159 ) and bondedto
      (attr store1 < 117.926  and attr store1 > 117.126 ))
6 0.1 0.1 peak 1753 volume 15.68220 ppm1 8.189 ppm2 4.686
 
! ############### n15noe.1754 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 8.205 and attr store1 > 8.145 ) and bondedto
      (attr store1 < 117.911  and attr store1 > 117.111 ))
6 0.1 0.1 peak 1754 volume 15.70834 ppm1 8.175 ppm2 4.687
 
! ############### n15noe.1755 NOT folded
assi (attr store1 < 4.74 and attr store1 > 4.64 ) 
     ((attr store1 < 8.136 and attr store1 > 8.076 ) and bondedto
      (attr store1 < 117.901  and attr store1 > 117.101 ))
6 0.1 0.1 peak 1755 volume 14.20389 ppm1 8.106 ppm2 4.690
 
! ############### n15noe.1756 NOT folded
assi (attr store1 < 0.969 and attr store1 > 0.869 ) 
     ((attr store1 < 8.058 and attr store1 > 7.998 ) and bondedto
      (attr store1 < 117.877  and attr store1 > 117.077 ))
6 0.1 0.1 peak 1756 volume 8.62212 ppm1 8.028 ppm2 0.919
 
! ############### n15noe.1757 NOT folded
assi (attr store1 < 4.404 and attr store1 > 4.304 ) 
     ((attr store1 < 7.948 and attr store1 > 7.888 ) and bondedto
      (attr store1 < 117.936  and attr store1 > 117.136 ))
6 0.1 0.1 peak 1757 volume 5.81278 ppm1 7.918 ppm2 4.354
 
! ############### n15noe.1758 NOT folded
assi (attr store1 < 2.09 and attr store1 > 1.99 ) 
     ((attr store1 < 7.944 and attr store1 > 7.884 ) and bondedto
      (attr store1 < 117.94  and attr store1 > 117.14 ))
6 0.1 0.1 peak 1758 volume 11.24222 ppm1 7.914 ppm2 2.040
 
! ############### n15noe.1759 NOT folded
assi (attr store1 < 2.025 and attr store1 > 1.925 ) 
     ((attr store1 < 7.944 and attr store1 > 7.884 ) and bondedto
      (attr store1 < 117.953  and attr store1 > 117.153 ))
6 0.1 0.1 peak 1759 volume 24.94636 ppm1 7.914 ppm2 1.975
 
! ############### n15noe.1760 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 8.176 and attr store1 > 8.116 ) and bondedto
      (attr store1 < 117.842  and attr store1 > 117.042 ))
6 0.1 0.1 peak 1760 volume 25.46804 ppm1 8.146 ppm2 4.687
 
! ############### n15noe.1761 NOT folded
assi (attr store1 < 8.365 and attr store1 > 8.265 ) 
     ((attr store1 < 8.062 and attr store1 > 8.002 ) and bondedto
      (attr store1 < 117.819  and attr store1 > 117.019 ))
6 0.1 0.1 peak 1761 volume 10.28220 ppm1 8.032 ppm2 8.315
 
! ############### n15noe.1762 NOT folded
assi (attr store1 < 3.882 and attr store1 > 3.782 ) 
     ((attr store1 < 8.062 and attr store1 > 8.002 ) and bondedto
      (attr store1 < 117.842  and attr store1 > 117.042 ))
6 0.1 0.1 peak 1762 volume 44.48619 ppm1 8.032 ppm2 3.832
 
! ############### n15noe.1763 NOT folded
assi (attr store1 < 4.734 and attr store1 > 4.634 ) 
     ((attr store1 < 8.061 and attr store1 > 8.001 ) and bondedto
      (attr store1 < 117.84  and attr store1 > 117.04 ))
6 0.1 0.1 peak 1763 volume 151.46347 ppm1 8.031 ppm2 4.684
 
! ############### n15noe.1764 NOT folded
assi (attr store1 < 4.377 and attr store1 > 4.277 ) 
     ((attr store1 < 8.06 and attr store1 > 8.0 ) and bondedto
      (attr store1 < 117.843  and attr store1 > 117.043 ))
6 0.1 0.1 peak 1764 volume 48.95115 ppm1 8.030 ppm2 4.327
 
! ############### n15noe.1765 NOT folded
assi (attr store1 < 1.721 and attr store1 > 1.621 ) 
     ((attr store1 < 8.058 and attr store1 > 7.998 ) and bondedto
      (attr store1 < 117.834  and attr store1 > 117.034 ))
6 0.1 0.1 peak 1765 volume 6.93736 ppm1 8.028 ppm2 1.671
 
! ############### n15noe.1766 NOT folded
assi (attr store1 < 1.629 and attr store1 > 1.529 ) 
     ((attr store1 < 8.06 and attr store1 > 8.0 ) and bondedto
      (attr store1 < 117.834  and attr store1 > 117.034 ))
6 0.1 0.1 peak 1766 volume 7.46727 ppm1 8.030 ppm2 1.579
 
! ############### n15noe.1767 NOT folded
assi (attr store1 < 2.264 and attr store1 > 2.164 ) 
     ((attr store1 < 7.908 and attr store1 > 7.848 ) and bondedto
      (attr store1 < 117.456  and attr store1 > 116.656 ))
6 0.1 0.1 peak 1767 volume 5.25007 ppm1 7.878 ppm2 2.214
 
! ############### n15noe.1768 NOT folded
assi (attr store1 < 4.148 and attr store1 > 4.048 ) 
     ((attr store1 < 7.904 and attr store1 > 7.844 ) and bondedto
      (attr store1 < 117.446  and attr store1 > 116.646 ))
6 0.1 0.1 peak 1768 volume 5.41409 ppm1 7.874 ppm2 4.098
 
! ############### n15noe.1769 NOT folded
assi (attr store1 < 4.055 and attr store1 > 3.955 ) 
     ((attr store1 < 7.902 and attr store1 > 7.842 ) and bondedto
      (attr store1 < 117.453  and attr store1 > 116.653 ))
6 0.1 0.1 peak 1769 volume 12.23679 ppm1 7.872 ppm2 4.005
 
! ############### n15noe.1770 NOT folded
assi (attr store1 < 8.085 and attr store1 > 7.985 ) 
     ((attr store1 < 7.9 and attr store1 > 7.84 ) and bondedto
      (attr store1 < 117.432  and attr store1 > 116.632 ))
6 0.1 0.1 peak 1770 volume 14.73849 ppm1 7.870 ppm2 8.035
 
! ############### n15noe.1771 NOT folded
assi (attr store1 < 7.411 and attr store1 > 7.311 ) 
     ((attr store1 < 7.901 and attr store1 > 7.841 ) and bondedto
      (attr store1 < 117.446  and attr store1 > 116.646 ))
6 0.1 0.1 peak 1771 volume 10.51820 ppm1 7.871 ppm2 7.361
 
! ############### n15noe.1772 NOT folded
assi (attr store1 < 7.269 and attr store1 > 7.169 ) 
     ((attr store1 < 7.9 and attr store1 > 7.84 ) and bondedto
      (attr store1 < 117.438  and attr store1 > 116.638 ))
6 0.1 0.1 peak 1772 volume 9.38907 ppm1 7.870 ppm2 7.219
 
! ############### n15noe.1773 NOT folded
assi (attr store1 < 4.729 and attr store1 > 4.629 ) 
     ((attr store1 < 7.9 and attr store1 > 7.84 ) and bondedto
      (attr store1 < 117.43  and attr store1 > 116.63 ))
6 0.1 0.1 peak 1773 volume 13.45657 ppm1 7.870 ppm2 4.679
 
! ############### n15noe.1774 NOT folded
assi (attr store1 < 3.428 and attr store1 > 3.328 ) 
     ((attr store1 < 7.896 and attr store1 > 7.836 ) and bondedto
      (attr store1 < 117.428  and attr store1 > 116.628 ))
6 0.1 0.1 peak 1774 volume 7.69061 ppm1 7.866 ppm2 3.378
 
! ############### n15noe.1775 NOT folded
assi (attr store1 < 2.751 and attr store1 > 2.651 ) 
     ((attr store1 < 7.9 and attr store1 > 7.84 ) and bondedto
      (attr store1 < 117.44  and attr store1 > 116.64 ))
6 0.1 0.1 peak 1775 volume 10.93812 ppm1 7.870 ppm2 2.701
 
! ############### n15noe.1776 NOT folded
assi (attr store1 < 2.124 and attr store1 > 2.024 ) 
     ((attr store1 < 7.899 and attr store1 > 7.839 ) and bondedto
      (attr store1 < 117.442  and attr store1 > 116.642 ))
6 0.1 0.1 peak 1776 volume 9.84008 ppm1 7.869 ppm2 2.074
 
! ############### n15noe.1777 NOT folded
assi (attr store1 < 1.936 and attr store1 > 1.836 ) 
     ((attr store1 < 7.899 and attr store1 > 7.839 ) and bondedto
      (attr store1 < 117.458  and attr store1 > 116.658 ))
6 0.1 0.1 peak 1777 volume 13.33945 ppm1 7.869 ppm2 1.886
 
! ############### n15noe.1778 NOT folded
assi (attr store1 < 4.467 and attr store1 > 4.367 ) 
     ((attr store1 < 8.131 and attr store1 > 8.071 ) and bondedto
      (attr store1 < 117.132  and attr store1 > 116.332 ))
6 0.1 0.1 peak 1778 volume 15.65349 ppm1 8.101 ppm2 4.417
 
! ############### n15noe.1779 NOT folded
assi (attr store1 < 2.294 and attr store1 > 2.194 ) 
     ((attr store1 < 8.129 and attr store1 > 8.069 ) and bondedto
      (attr store1 < 117.11  and attr store1 > 116.31 ))
6 0.1 0.1 peak 1779 volume 4.51003 ppm1 8.099 ppm2 2.244
 
! ############### n15noe.1780 NOT folded
assi (attr store1 < 4.732 and attr store1 > 4.632 ) 
     ((attr store1 < 8.125 and attr store1 > 8.065 ) and bondedto
      (attr store1 < 117.129  and attr store1 > 116.329 ))
6 0.1 0.1 peak 1780 volume 266.33655 ppm1 8.095 ppm2 4.682
 
! ############### n15noe.1781 NOT folded
assi (attr store1 < 3.997 and attr store1 > 3.897 ) 
     ((attr store1 < 8.126 and attr store1 > 8.066 ) and bondedto
      (attr store1 < 117.115  and attr store1 > 116.315 ))
6 0.1 0.1 peak 1781 volume 24.54016 ppm1 8.096 ppm2 3.947
 
! ############### n15noe.1782 NOT folded
assi (attr store1 < 2.137 and attr store1 > 2.037 ) 
     ((attr store1 < 8.126 and attr store1 > 8.066 ) and bondedto
      (attr store1 < 117.131  and attr store1 > 116.331 ))
6 0.1 0.1 peak 1782 volume 4.26899 ppm1 8.096 ppm2 2.087
 
! ############### n15noe.1783 NOT folded
assi (attr store1 < 7.976 and attr store1 > 7.876 ) 
     ((attr store1 < 8.213 and attr store1 > 8.153 ) and bondedto
      (attr store1 < 116.998  and attr store1 > 116.198 ))
6 0.1 0.1 peak 1783 volume 5.41535 ppm1 8.183 ppm2 7.926
 
! ############### n15noe.1784 NOT folded
assi (attr store1 < 2.318 and attr store1 > 2.218 ) 
     ((attr store1 < 8.223 and attr store1 > 8.163 ) and bondedto
      (attr store1 < 116.96  and attr store1 > 116.16 ))
6 0.1 0.1 peak 1784 volume 24.51775 ppm1 8.193 ppm2 2.268
 
! ############### n15noe.1785 NOT folded
assi (attr store1 < 7.868 and attr store1 > 7.768 ) 
     ((attr store1 < 8.219 and attr store1 > 8.159 ) and bondedto
      (attr store1 < 116.929  and attr store1 > 116.129 ))
6 0.1 0.1 peak 1785 volume 11.19836 ppm1 8.189 ppm2 7.818
 
! ############### n15noe.1786 NOT folded
assi (attr store1 < 7.445 and attr store1 > 7.345 ) 
     ((attr store1 < 8.218 and attr store1 > 8.158 ) and bondedto
      (attr store1 < 116.953  and attr store1 > 116.153 ))
6 0.1 0.1 peak 1786 volume 14.53592 ppm1 8.188 ppm2 7.395
 
! ############### n15noe.1787 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 8.218 and attr store1 > 8.158 ) and bondedto
      (attr store1 < 116.962  and attr store1 > 116.162 ))
6 0.1 0.1 peak 1787 volume 13.05421 ppm1 8.188 ppm2 4.688
 
! ############### n15noe.1788 NOT folded
assi (attr store1 < 4.33 and attr store1 > 4.23 ) 
     ((attr store1 < 8.218 and attr store1 > 8.158 ) and bondedto
      (attr store1 < 116.929  and attr store1 > 116.129 ))
6 0.1 0.1 peak 1788 volume 4.91779 ppm1 8.188 ppm2 4.280
 
! ############### n15noe.1789 NOT folded
assi (attr store1 < 4.164 and attr store1 > 4.064 ) 
     ((attr store1 < 8.218 and attr store1 > 8.158 ) and bondedto
      (attr store1 < 116.947  and attr store1 > 116.147 ))
6 0.1 0.1 peak 1789 volume 17.40960 ppm1 8.188 ppm2 4.114
 
! ############### n15noe.1790 NOT folded
assi (attr store1 < 4.086 and attr store1 > 3.986 ) 
     ((attr store1 < 8.218 and attr store1 > 8.158 ) and bondedto
      (attr store1 < 116.965  and attr store1 > 116.165 ))
6 0.1 0.1 peak 1790 volume 7.79412 ppm1 8.188 ppm2 4.036
 
! ############### n15noe.1791 NOT folded
assi (attr store1 < 2.814 and attr store1 > 2.714 ) 
     ((attr store1 < 8.216 and attr store1 > 8.156 ) and bondedto
      (attr store1 < 116.949  and attr store1 > 116.149 ))
6 0.1 0.1 peak 1791 volume 4.37700 ppm1 8.186 ppm2 2.764
 
! ############### n15noe.1792 NOT folded
assi (attr store1 < 2.707 and attr store1 > 2.607 ) 
     ((attr store1 < 8.218 and attr store1 > 8.158 ) and bondedto
      (attr store1 < 116.946  and attr store1 > 116.146 ))
6 0.1 0.1 peak 1792 volume 7.75932 ppm1 8.188 ppm2 2.657
 
! ############### n15noe.1793 NOT folded
assi (attr store1 < 2.6 and attr store1 > 2.5 ) 
     ((attr store1 < 8.218 and attr store1 > 8.158 ) and bondedto
      (attr store1 < 116.964  and attr store1 > 116.164 ))
6 0.1 0.1 peak 1793 volume 22.22252 ppm1 8.188 ppm2 2.550
 
! ############### n15noe.1794 NOT folded
assi (attr store1 < 2.419 and attr store1 > 2.319 ) 
     ((attr store1 < 8.218 and attr store1 > 8.158 ) and bondedto
      (attr store1 < 116.95  and attr store1 > 116.15 ))
6 0.1 0.1 peak 1794 volume 12.46892 ppm1 8.188 ppm2 2.369
 
! ############### n15noe.1795 NOT folded
assi (attr store1 < 2.26 and attr store1 > 2.16 ) 
     ((attr store1 < 8.221 and attr store1 > 8.161 ) and bondedto
      (attr store1 < 116.942  and attr store1 > 116.142 ))
6 0.1 0.1 peak 1795 volume 20.01027 ppm1 8.191 ppm2 2.210
 
! ############### n15noe.1796 NOT folded
assi (attr store1 < 1.796 and attr store1 > 1.696 ) 
     ((attr store1 < 8.218 and attr store1 > 8.158 ) and bondedto
      (attr store1 < 116.926  and attr store1 > 116.126 ))
6 0.1 0.1 peak 1796 volume 3.69348 ppm1 8.188 ppm2 1.746
 
! ############### n15noe.1797 NOT folded
assi (attr store1 < 4.739 and attr store1 > 4.639 ) 
     ((attr store1 < 8.402 and attr store1 > 8.342 ) and bondedto
      (attr store1 < 116.223  and attr store1 > 115.423 ))
6 0.1 0.1 peak 1797 volume 16.83815 ppm1 8.372 ppm2 4.689
 
! ############### n15noe.1798 NOT folded
assi (attr store1 < 0.947 and attr store1 > 0.847 ) 
     ((attr store1 < 8.404 and attr store1 > 8.344 ) and bondedto
      (attr store1 < 116.226  and attr store1 > 115.426 ))
6 0.1 0.1 peak 1798 volume 22.54917 ppm1 8.374 ppm2 0.897
 
! ############### n15noe.1799 NOT folded
assi (attr store1 < 4.098 and attr store1 > 3.998 ) 
     ((attr store1 < 8.399 and attr store1 > 8.339 ) and bondedto
      (attr store1 < 116.239  and attr store1 > 115.439 ))
6 0.1 0.1 peak 1799 volume 10.30009 ppm1 8.369 ppm2 4.048
 
! ############### n15noe.1800 NOT folded
assi (attr store1 < 4.019 and attr store1 > 3.919 ) 
     ((attr store1 < 8.398 and attr store1 > 8.338 ) and bondedto
      (attr store1 < 116.231  and attr store1 > 115.431 ))
6 0.1 0.1 peak 1800 volume 5.38122 ppm1 8.368 ppm2 3.969
 
! ############### n15noe.1801 NOT folded
assi (attr store1 < 3.595 and attr store1 > 3.495 ) 
     ((attr store1 < 8.078 and attr store1 > 8.018 ) and bondedto
      (attr store1 < 116.223  and attr store1 > 115.423 ))
6 0.1 0.1 peak 1801 volume 4.33815 ppm1 8.048 ppm2 3.545
 
! ############### n15noe.1802 NOT folded
assi (attr store1 < 8.537 and attr store1 > 8.437 ) 
     ((attr store1 < 8.075 and attr store1 > 8.015 ) and bondedto
      (attr store1 < 116.263  and attr store1 > 115.463 ))
6 0.1 0.1 peak 1802 volume 11.23714 ppm1 8.045 ppm2 8.487
 
! ############### n15noe.1803 NOT folded
assi (attr store1 < 8.186 and attr store1 > 8.086 ) 
     ((attr store1 < 8.076 and attr store1 > 8.016 ) and bondedto
      (attr store1 < 116.24  and attr store1 > 115.44 ))
6 0.1 0.1 peak 1803 volume 11.43920 ppm1 8.046 ppm2 8.136
 
! ############### n15noe.1804 NOT folded
assi (attr store1 < 7.848 and attr store1 > 7.748 ) 
     ((attr store1 < 8.076 and attr store1 > 8.016 ) and bondedto
      (attr store1 < 116.265  and attr store1 > 115.465 ))
6 0.1 0.1 peak 1804 volume 20.13495 ppm1 8.046 ppm2 7.798
 
! ############### n15noe.1805 NOT folded
assi (attr store1 < 4.405 and attr store1 > 4.305 ) 
     ((attr store1 < 8.076 and attr store1 > 8.016 ) and bondedto
      (attr store1 < 116.266  and attr store1 > 115.466 ))
6 0.1 0.1 peak 1805 volume 21.09029 ppm1 8.046 ppm2 4.355
 
! ############### n15noe.1806 NOT folded
assi (attr store1 < 4.11 and attr store1 > 4.01 ) 
     ((attr store1 < 8.076 and attr store1 > 8.016 ) and bondedto
      (attr store1 < 116.279  and attr store1 > 115.479 ))
6 0.1 0.1 peak 1806 volume 31.57663 ppm1 8.046 ppm2 4.060
 
! ############### n15noe.1807 NOT folded
assi (attr store1 < 2.235 and attr store1 > 2.135 ) 
     ((attr store1 < 8.404 and attr store1 > 8.344 ) and bondedto
      (attr store1 < 116.194  and attr store1 > 115.394 ))
6 0.1 0.1 peak 1807 volume 12.70893 ppm1 8.374 ppm2 2.185
 
! ############### n15noe.1808 NOT folded
assi (attr store1 < 1.13 and attr store1 > 1.03 ) 
     ((attr store1 < 8.402 and attr store1 > 8.342 ) and bondedto
      (attr store1 < 116.167  and attr store1 > 115.367 ))
6 0.1 0.1 peak 1808 volume 8.63986 ppm1 8.372 ppm2 1.080
 
! ############### n15noe.1809 NOT folded
assi (attr store1 < 8.988 and attr store1 > 8.888 ) 
     ((attr store1 < 8.4 and attr store1 > 8.34 ) and bondedto
      (attr store1 < 116.21  and attr store1 > 115.41 ))
6 0.1 0.1 peak 1809 volume 13.72106 ppm1 8.370 ppm2 8.938
 
! ############### n15noe.1810 NOT folded
assi (attr store1 < 3.682 and attr store1 > 3.582 ) 
     ((attr store1 < 8.4 and attr store1 > 8.34 ) and bondedto
      (attr store1 < 116.184  and attr store1 > 115.384 ))
6 0.1 0.1 peak 1810 volume 7.19782 ppm1 8.370 ppm2 3.632
 
! ############### n15noe.1811 NOT folded
assi (attr store1 < 3.615 and attr store1 > 3.515 ) 
     ((attr store1 < 8.4 and attr store1 > 8.34 ) and bondedto
      (attr store1 < 116.203  and attr store1 > 115.403 ))
6 0.1 0.1 peak 1811 volume 10.61417 ppm1 8.370 ppm2 3.565
 
! ############### n15noe.1812 NOT folded
assi (attr store1 < 0.847 and attr store1 > 0.747 ) 
     ((attr store1 < 8.401 and attr store1 > 8.341 ) and bondedto
      (attr store1 < 116.209  and attr store1 > 115.409 ))
6 0.1 0.1 peak 1812 volume 10.16532 ppm1 8.371 ppm2 0.797
 
! ############### n15noe.1813 NOT folded
assi (attr store1 < 2.348 and attr store1 > 2.248 ) 
     ((attr store1 < 8.079 and attr store1 > 8.019 ) and bondedto
      (attr store1 < 116.168  and attr store1 > 115.368 ))
6 0.1 0.1 peak 1813 volume 3.66134 ppm1 8.049 ppm2 2.298
 
! ############### n15noe.1814 NOT folded
assi (attr store1 < 4.739 and attr store1 > 4.639 ) 
     ((attr store1 < 8.074 and attr store1 > 8.014 ) and bondedto
      (attr store1 < 116.138  and attr store1 > 115.338 ))
6 0.1 0.1 peak 1814 volume 16.93081 ppm1 8.044 ppm2 4.689
 
! ############### n15noe.1815 NOT folded
assi (attr store1 < 1.755 and attr store1 > 1.655 ) 
     ((attr store1 < 8.075 and attr store1 > 8.015 ) and bondedto
      (attr store1 < 116.173  and attr store1 > 115.373 ))
6 0.1 0.1 peak 1815 volume 4.80337 ppm1 8.045 ppm2 1.705
 
! ############### n15noe.1816 NOT folded
assi (attr store1 < 0.978 and attr store1 > 0.878 ) 
     ((attr store1 < 8.075 and attr store1 > 8.015 ) and bondedto
      (attr store1 < 116.203  and attr store1 > 115.403 ))
6 0.1 0.1 peak 1816 volume 17.93281 ppm1 8.045 ppm2 0.928
 
! ############### n15noe.1817 NOT folded
assi (attr store1 < 2.447 and attr store1 > 2.347 ) 
     ((attr store1 < 8.073 and attr store1 > 8.013 ) and bondedto
      (attr store1 < 116.073  and attr store1 > 115.273 ))
6 0.1 0.1 peak 1817 volume 3.87037 ppm1 8.043 ppm2 2.397
 
! ############### n15noe.1818 NOT folded
assi (attr store1 < 1.585 and attr store1 > 1.485 ) 
     ((attr store1 < 8.074 and attr store1 > 8.014 ) and bondedto
      (attr store1 < 116.057  and attr store1 > 115.257 ))
6 0.1 0.1 peak 1818 volume 8.25631 ppm1 8.044 ppm2 1.535
 
! ############### n15noe.1819 NOT folded
assi (attr store1 < 1.465 and attr store1 > 1.365 ) 
     ((attr store1 < 8.076 and attr store1 > 8.016 ) and bondedto
      (attr store1 < 116.049  and attr store1 > 115.249 ))
6 0.1 0.1 peak 1819 volume 4.34304 ppm1 8.046 ppm2 1.415
 
! ############### n15noe.1820 NOT folded
assi (attr store1 < 8.985 and attr store1 > 8.885 ) 
     ((attr store1 < 8.07 and attr store1 > 8.01 ) and bondedto
      (attr store1 < 116.048  and attr store1 > 115.248 ))
6 0.1 0.1 peak 1820 volume 4.47982 ppm1 8.040 ppm2 8.935
 
! ############### n15noe.1821 NOT folded
assi (attr store1 < 4.231 and attr store1 > 4.131 ) 
     ((attr store1 < 8.072 and attr store1 > 8.012 ) and bondedto
      (attr store1 < 116.055  and attr store1 > 115.255 ))
6 0.1 0.1 peak 1821 volume 29.19565 ppm1 8.042 ppm2 4.181
 
! ############### n15noe.1822 NOT folded
assi (attr store1 < 3.778 and attr store1 > 3.678 ) 
     ((attr store1 < 8.07 and attr store1 > 8.01 ) and bondedto
      (attr store1 < 116.089  and attr store1 > 115.289 ))
6 0.1 0.1 peak 1822 volume 6.63511 ppm1 8.040 ppm2 3.728
 
! ############### n15noe.1823 NOT folded
assi (attr store1 < 1.924 and attr store1 > 1.824 ) 
     ((attr store1 < 8.071 and attr store1 > 8.011 ) and bondedto
      (attr store1 < 116.041  and attr store1 > 115.241 ))
6 0.1 0.1 peak 1823 volume 14.14047 ppm1 8.041 ppm2 1.874
 
! ############### n15noe.1824 NOT folded
assi (attr store1 < 1.128 and attr store1 > 1.028 ) 
     ((attr store1 < 8.07 and attr store1 > 8.01 ) and bondedto
      (attr store1 < 116.052  and attr store1 > 115.252 ))
6 0.1 0.1 peak 1824 volume 3.85983 ppm1 8.040 ppm2 1.078
 
! ############### n15noe.1825 NOT folded
assi (attr store1 < 8.626 and attr store1 > 8.526 ) 
     ((attr store1 < 8.072 and attr store1 > 8.012 ) and bondedto
      (attr store1 < 116.001  and attr store1 > 115.201 ))
6 0.1 0.1 peak 1825 volume 13.17581 ppm1 8.042 ppm2 8.576
 
! ############### n15noe.1826 NOT folded
assi (attr store1 < 2.149 and attr store1 > 2.049 ) 
     ((attr store1 < 8.072 and attr store1 > 8.012 ) and bondedto
      (attr store1 < 116.016  and attr store1 > 115.216 ))
6 0.1 0.1 peak 1826 volume 11.96481 ppm1 8.042 ppm2 2.099
 
! ############### n15noe.1827 NOT folded
assi (attr store1 < 7.457 and attr store1 > 7.357 ) 
     ((attr store1 < 8.07 and attr store1 > 8.01 ) and bondedto
      (attr store1 < 116.015  and attr store1 > 115.215 ))
6 0.1 0.1 peak 1827 volume 14.06506 ppm1 8.040 ppm2 7.407
 
! ############### n15noe.1828 NOT folded
assi (attr store1 < 4.319 and attr store1 > 4.219 ) 
     ((attr store1 < 8.071 and attr store1 > 8.011 ) and bondedto
      (attr store1 < 116.008  and attr store1 > 115.208 ))
6 0.1 0.1 peak 1828 volume 12.12021 ppm1 8.041 ppm2 4.269
 
! ############### n15noe.1829 NOT folded
assi (attr store1 < 3.967 and attr store1 > 3.867 ) 
     ((attr store1 < 8.071 and attr store1 > 8.011 ) and bondedto
      (attr store1 < 116.018  and attr store1 > 115.218 ))
6 0.1 0.1 peak 1829 volume 19.16479 ppm1 8.041 ppm2 3.917
 
! ############### n15noe.1830 NOT folded
assi (attr store1 < 3.756 and attr store1 > 3.656 ) 
     ((attr store1 < 8.07 and attr store1 > 8.01 ) and bondedto
      (attr store1 < 116.007  and attr store1 > 115.207 ))
6 0.1 0.1 peak 1830 volume 6.72750 ppm1 8.040 ppm2 3.706
 
! ############### n15noe.1831 NOT folded
assi (attr store1 < 1.377 and attr store1 > 1.277 ) 
     ((attr store1 < 8.069 and attr store1 > 8.009 ) and bondedto
      (attr store1 < 115.999  and attr store1 > 115.199 ))
6 0.1 0.1 peak 1831 volume 4.33533 ppm1 8.039 ppm2 1.327
 
! ############### n15noe.1832 NOT folded
assi (attr store1 < 1.288 and attr store1 > 1.188 ) 
     ((attr store1 < 8.071 and attr store1 > 8.011 ) and bondedto
      (attr store1 < 116.005  and attr store1 > 115.205 ))
6 0.1 0.1 peak 1832 volume 14.72948 ppm1 8.041 ppm2 1.238
 
! ############### n15noe.1833 NOT folded
assi (attr store1 < 3.731 and attr store1 > 3.631 ) 
     ((attr store1 < 7.192 and attr store1 > 7.132 ) and bondedto
      (attr store1 < 115.854  and attr store1 > 115.054 ))
6 0.1 0.1 peak 1833 volume 6.99789 ppm1 7.162 ppm2 3.681
 
! ############### n15noe.1834 NOT folded
assi (attr store1 < 3.0 and attr store1 > 2.9 ) 
     ((attr store1 < 7.189 and attr store1 > 7.129 ) and bondedto
      (attr store1 < 115.868  and attr store1 > 115.068 ))
6 0.1 0.1 peak 1834 volume 17.48782 ppm1 7.159 ppm2 2.950
 
! ############### n15noe.1835 NOT folded
assi (attr store1 < 2.721 and attr store1 > 2.621 ) 
     ((attr store1 < 7.191 and attr store1 > 7.131 ) and bondedto
      (attr store1 < 115.883  and attr store1 > 115.083 ))
6 0.1 0.1 peak 1835 volume 11.43242 ppm1 7.161 ppm2 2.671
 
! ############### n15noe.1836 NOT folded
assi (attr store1 < 1.057 and attr store1 > 0.957 ) 
     ((attr store1 < 7.19 and attr store1 > 7.13 ) and bondedto
      (attr store1 < 115.891  and attr store1 > 115.091 ))
6 0.1 0.1 peak 1836 volume 6.53160 ppm1 7.160 ppm2 1.007
 
! ############### n15noe.1837 NOT folded
assi (attr store1 < 0.956 and attr store1 > 0.856 ) 
     ((attr store1 < 7.192 and attr store1 > 7.132 ) and bondedto
      (attr store1 < 115.865  and attr store1 > 115.065 ))
6 0.1 0.1 peak 1837 volume 5.36645 ppm1 7.162 ppm2 0.906
 
! ############### n15noe.1838 NOT folded
assi (attr store1 < 8.264 and attr store1 > 8.164 ) 
     ((attr store1 < 7.186 and attr store1 > 7.126 ) and bondedto
      (attr store1 < 115.873  and attr store1 > 115.073 ))
6 0.1 0.1 peak 1838 volume 20.31079 ppm1 7.156 ppm2 8.214
 
! ############### n15noe.1839 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 7.187 and attr store1 > 7.127 ) and bondedto
      (attr store1 < 115.886  and attr store1 > 115.086 ))
6 0.1 0.1 peak 1839 volume 7.28348 ppm1 7.157 ppm2 4.687
 
! ############### n15noe.1840 NOT folded
assi (attr store1 < 4.325 and attr store1 > 4.225 ) 
     ((attr store1 < 7.187 and attr store1 > 7.127 ) and bondedto
      (attr store1 < 115.866  and attr store1 > 115.066 ))
6 0.1 0.1 peak 1840 volume 19.62910 ppm1 7.157 ppm2 4.275
 
! ############### n15noe.1841 NOT folded
assi (attr store1 < 4.087 and attr store1 > 3.987 ) 
     ((attr store1 < 7.185 and attr store1 > 7.125 ) and bondedto
      (attr store1 < 115.875  and attr store1 > 115.075 ))
6 0.1 0.1 peak 1841 volume 3.71279 ppm1 7.155 ppm2 4.037
 
! ############### n15noe.1842 NOT folded
assi (attr store1 < 2.417 and attr store1 > 2.317 ) 
     ((attr store1 < 7.186 and attr store1 > 7.126 ) and bondedto
      (attr store1 < 115.865  and attr store1 > 115.065 ))
6 0.1 0.1 peak 1842 volume 19.75251 ppm1 7.156 ppm2 2.367
 
! ############### n15noe.1843 NOT folded
assi (attr store1 < 2.313 and attr store1 > 2.213 ) 
     ((attr store1 < 7.187 and attr store1 > 7.127 ) and bondedto
      (attr store1 < 115.877  and attr store1 > 115.077 ))
6 0.1 0.1 peak 1843 volume 13.13931 ppm1 7.157 ppm2 2.263
 
! ############### n15noe.1844 NOT folded
assi (attr store1 < 2.016 and attr store1 > 1.916 ) 
     ((attr store1 < 7.185 and attr store1 > 7.125 ) and bondedto
      (attr store1 < 115.869  and attr store1 > 115.069 ))
6 0.1 0.1 peak 1844 volume 20.39547 ppm1 7.155 ppm2 1.966
 
! ############### n15noe.1845 NOT folded
assi (attr store1 < 3.645 and attr store1 > 3.545 ) 
     ((attr store1 < 7.179 and attr store1 > 7.119 ) and bondedto
      (attr store1 < 115.868  and attr store1 > 115.068 ))
6 0.1 0.1 peak 1845 volume 6.14693 ppm1 7.149 ppm2 3.595
 
! ############### n15noe.1846 NOT folded
assi (attr store1 < 2.081 and attr store1 > 1.981 ) 
     ((attr store1 < 7.19 and attr store1 > 7.13 ) and bondedto
      (attr store1 < 115.818  and attr store1 > 115.018 ))
6 0.1 0.1 peak 1846 volume 13.48350 ppm1 7.160 ppm2 2.031
 
! ############### n15noe.1847 NOT folded
assi (attr store1 < 8.871 and attr store1 > 8.771 ) 
     ((attr store1 < 7.185 and attr store1 > 7.125 ) and bondedto
      (attr store1 < 115.802  and attr store1 > 115.002 ))
6 0.1 0.1 peak 1847 volume 4.95632 ppm1 7.155 ppm2 8.821
 
! ############### n15noe.1848 NOT folded
assi (attr store1 < 7.571 and attr store1 > 7.471 ) 
     ((attr store1 < 6.898 and attr store1 > 6.838 ) and bondedto
      (attr store1 < 115.236  and attr store1 > 114.436 ))
6 0.1 0.1 peak 1848 volume 3.89985 ppm1 6.868 ppm2 7.521
 
! ############### n15noe.1849 NOT folded
assi (attr store1 < 4.736 and attr store1 > 4.636 ) 
     ((attr store1 < 7.76 and attr store1 > 7.7 ) and bondedto
      (attr store1 < 115.087  and attr store1 > 114.287 ))
6 0.1 0.1 peak 1849 volume 13.82739 ppm1 7.730 ppm2 4.686
 
! ############### n15noe.1850 NOT folded
assi (attr store1 < 4.088 and attr store1 > 3.988 ) 
     ((attr store1 < 7.759 and attr store1 > 7.699 ) and bondedto
      (attr store1 < 115.083  and attr store1 > 114.283 ))
6 0.1 0.1 peak 1850 volume 24.01595 ppm1 7.729 ppm2 4.038
 
! ############### n15noe.1851 NOT folded
assi (attr store1 < 1.641 and attr store1 > 1.541 ) 
     ((attr store1 < 7.76 and attr store1 > 7.7 ) and bondedto
      (attr store1 < 115.077  and attr store1 > 114.277 ))
6 0.1 0.1 peak 1851 volume 6.11489 ppm1 7.730 ppm2 1.591
 
! ############### n15noe.1852 NOT folded
assi (attr store1 < 7.592 and attr store1 > 7.492 ) 
     ((attr store1 < 7.758 and attr store1 > 7.698 ) and bondedto
      (attr store1 < 115.08  and attr store1 > 114.28 ))
6 0.1 0.1 peak 1852 volume 31.93469 ppm1 7.728 ppm2 7.542
 
! ############### n15noe.1853 NOT folded
assi (attr store1 < 4.586 and attr store1 > 4.486 ) 
     ((attr store1 < 7.758 and attr store1 > 7.698 ) and bondedto
      (attr store1 < 115.082  and attr store1 > 114.282 ))
6 0.1 0.1 peak 1853 volume 22.29189 ppm1 7.728 ppm2 4.536
 
! ############### n15noe.1854 NOT folded
assi (attr store1 < 3.946 and attr store1 > 3.846 ) 
     ((attr store1 < 7.759 and attr store1 > 7.699 ) and bondedto
      (attr store1 < 115.069  and attr store1 > 114.269 ))
6 0.1 0.1 peak 1854 volume 18.42739 ppm1 7.729 ppm2 3.896
 
! ############### n15noe.1855 NOT folded
assi (attr store1 < 3.843 and attr store1 > 3.743 ) 
     ((attr store1 < 7.758 and attr store1 > 7.698 ) and bondedto
      (attr store1 < 115.109  and attr store1 > 114.309 ))
6 0.1 0.1 peak 1855 volume 6.05219 ppm1 7.728 ppm2 3.793
 
! ############### n15noe.1856 NOT folded
assi (attr store1 < 1.879 and attr store1 > 1.779 ) 
     ((attr store1 < 7.757 and attr store1 > 7.697 ) and bondedto
      (attr store1 < 115.082  and attr store1 > 114.282 ))
6 0.1 0.1 peak 1856 volume 5.40637 ppm1 7.727 ppm2 1.829
 
! ############### n15noe.1857 NOT folded
assi (attr store1 < 1.1 and attr store1 > 1.0 ) 
     ((attr store1 < 7.756 and attr store1 > 7.696 ) and bondedto
      (attr store1 < 115.078  and attr store1 > 114.278 ))
6 0.1 0.1 peak 1857 volume 6.76463 ppm1 7.726 ppm2 1.050
 
! ############### n15noe.1858 NOT folded
assi (attr store1 < 0.878 and attr store1 > 0.778 ) 
     ((attr store1 < 7.758 and attr store1 > 7.698 ) and bondedto
      (attr store1 < 115.078  and attr store1 > 114.278 ))
6 0.1 0.1 peak 1858 volume 7.35317 ppm1 7.728 ppm2 0.828
 
! ############### n15noe.1859 NOT folded
assi (attr store1 < 8.499 and attr store1 > 8.399 ) 
     ((attr store1 < 7.761 and attr store1 > 7.701 ) and bondedto
      (attr store1 < 115.022  and attr store1 > 114.222 ))
6 0.1 0.1 peak 1859 volume 6.31690 ppm1 7.731 ppm2 8.449
 
! ############### n15noe.1860 NOT folded
assi (attr store1 < 4.19 and attr store1 > 4.09 ) 
     ((attr store1 < 7.761 and attr store1 > 7.701 ) and bondedto
      (attr store1 < 115.049  and attr store1 > 114.249 ))
6 0.1 0.1 peak 1860 volume 14.02649 ppm1 7.731 ppm2 4.140
 
! ############### n15noe.1861 NOT folded
assi (attr store1 < 2.536 and attr store1 > 2.436 ) 
     ((attr store1 < 7.76 and attr store1 > 7.7 ) and bondedto
      (attr store1 < 115.036  and attr store1 > 114.236 ))
6 0.1 0.1 peak 1861 volume 5.21591 ppm1 7.730 ppm2 2.486
 
! ############### n15noe.1862 NOT folded
assi (attr store1 < 1.156 and attr store1 > 1.056 ) 
     ((attr store1 < 7.762 and attr store1 > 7.702 ) and bondedto
      (attr store1 < 115.053  and attr store1 > 114.253 ))
6 0.1 0.1 peak 1862 volume 6.07538 ppm1 7.732 ppm2 1.106
 
! ############### n15noe.1863 NOT folded
assi (attr store1 < 3.528 and attr store1 > 3.428 ) 
     ((attr store1 < 7.757 and attr store1 > 7.697 ) and bondedto
      (attr store1 < 115.054  and attr store1 > 114.254 ))
6 0.1 0.1 peak 1863 volume 5.19159 ppm1 7.727 ppm2 3.478
 
! ############### n15noe.1864 NOT folded
assi (attr store1 < 3.435 and attr store1 > 3.335 ) 
     ((attr store1 < 7.756 and attr store1 > 7.696 ) and bondedto
      (attr store1 < 115.043  and attr store1 > 114.243 ))
6 0.1 0.1 peak 1864 volume 7.98694 ppm1 7.726 ppm2 3.385
 
! ############### n15noe.1865 NOT folded
assi (attr store1 < 2.441 and attr store1 > 2.341 ) 
     ((attr store1 < 7.759 and attr store1 > 7.699 ) and bondedto
      (attr store1 < 115.035  and attr store1 > 114.235 ))
6 0.1 0.1 peak 1865 volume 5.86872 ppm1 7.729 ppm2 2.391
 
! ############### n15noe.1866 NOT folded
assi (attr store1 < 2.257 and attr store1 > 2.157 ) 
     ((attr store1 < 7.757 and attr store1 > 7.697 ) and bondedto
      (attr store1 < 115.051  and attr store1 > 114.251 ))
6 0.1 0.1 peak 1866 volume 18.56911 ppm1 7.727 ppm2 2.207
 
! ############### n15noe.1867 NOT folded
assi (attr store1 < 1.011 and attr store1 > 0.911 ) 
     ((attr store1 < 7.758 and attr store1 > 7.698 ) and bondedto
      (attr store1 < 115.056  and attr store1 > 114.256 ))
6 0.1 0.1 peak 1867 volume 4.50046 ppm1 7.728 ppm2 0.961
 
! ############### n15noe.1868 NOT folded
assi (attr store1 < 4.497 and attr store1 > 4.397 ) 
     ((attr store1 < 7.751 and attr store1 > 7.691 ) and bondedto
      (attr store1 < 115.037  and attr store1 > 114.237 ))
6 0.1 0.1 peak 1868 volume 7.68068 ppm1 7.721 ppm2 4.447
 
! ############### n15noe.1869 NOT folded
assi (attr store1 < 8.093 and attr store1 > 7.993 ) 
     ((attr store1 < 8.512 and attr store1 > 8.452 ) and bondedto
      (attr store1 < 114.781  and attr store1 > 113.981 ))
6 0.1 0.1 peak 1869 volume 9.47053 ppm1 8.482 ppm2 8.043
 
! ############### n15noe.1870 NOT folded
assi (attr store1 < 4.185 and attr store1 > 4.085 ) 
     ((attr store1 < 8.514 and attr store1 > 8.454 ) and bondedto
      (attr store1 < 114.793  and attr store1 > 113.993 ))
6 0.1 0.1 peak 1870 volume 9.61767 ppm1 8.484 ppm2 4.135
 
! ############### n15noe.1871 NOT folded
assi (attr store1 < 1.082 and attr store1 > 0.982 ) 
     ((attr store1 < 8.512 and attr store1 > 8.452 ) and bondedto
      (attr store1 < 114.828  and attr store1 > 114.028 ))
6 0.1 0.1 peak 1871 volume 4.92051 ppm1 8.482 ppm2 1.032
 
! ############### n15noe.1872 NOT folded
assi (attr store1 < 0.996 and attr store1 > 0.896 ) 
     ((attr store1 < 8.509 and attr store1 > 8.449 ) and bondedto
      (attr store1 < 114.793  and attr store1 > 113.993 ))
6 0.1 0.1 peak 1872 volume 11.52260 ppm1 8.479 ppm2 0.946
 
! ############### n15noe.1873 NOT folded
assi (attr store1 < 0.934 and attr store1 > 0.834 ) 
     ((attr store1 < 8.51 and attr store1 > 8.45 ) and bondedto
      (attr store1 < 114.795  and attr store1 > 113.995 ))
6 0.1 0.1 peak 1873 volume 6.42039 ppm1 8.480 ppm2 0.884
 
! ############### n15noe.1874 NOT folded
assi (attr store1 < 4.71 and attr store1 > 4.61 ) 
     ((attr store1 < 8.008 and attr store1 > 7.948 ) and bondedto
      (attr store1 < 114.802  and attr store1 > 114.002 ))
6 0.1 0.1 peak 1874 volume 10.45692 ppm1 7.978 ppm2 4.660
 
! ############### n15noe.1875 NOT folded
assi (attr store1 < 4.638 and attr store1 > 4.538 ) 
     ((attr store1 < 8.009 and attr store1 > 7.949 ) and bondedto
      (attr store1 < 114.831  and attr store1 > 114.031 ))
6 0.1 0.1 peak 1875 volume 4.66092 ppm1 7.979 ppm2 4.588
 
! ############### n15noe.1876 NOT folded
assi (attr store1 < 4.567 and attr store1 > 4.467 ) 
     ((attr store1 < 8.009 and attr store1 > 7.949 ) and bondedto
      (attr store1 < 114.828  and attr store1 > 114.028 ))
6 0.1 0.1 peak 1876 volume 4.08221 ppm1 7.979 ppm2 4.517
 
! ############### n15noe.1877 NOT folded
assi (attr store1 < 8.241 and attr store1 > 8.141 ) 
     ((attr store1 < 8.005 and attr store1 > 7.945 ) and bondedto
      (attr store1 < 114.807  and attr store1 > 114.007 ))
6 0.1 0.1 peak 1877 volume 7.80557 ppm1 7.975 ppm2 8.191
 
! ############### n15noe.1878 NOT folded
assi (attr store1 < 4.269 and attr store1 > 4.169 ) 
     ((attr store1 < 8.005 and attr store1 > 7.945 ) and bondedto
      (attr store1 < 114.849  and attr store1 > 114.049 ))
6 0.1 0.1 peak 1878 volume 3.59588 ppm1 7.975 ppm2 4.219
 
! ############### n15noe.1879 NOT folded
assi (attr store1 < 4.575 and attr store1 > 4.475 ) 
     ((attr store1 < 7.999 and attr store1 > 7.939 ) and bondedto
      (attr store1 < 114.825  and attr store1 > 114.025 ))
6 0.1 0.1 peak 1879 volume 3.94923 ppm1 7.969 ppm2 4.525
 
! ############### n15noe.1880 NOT folded
assi (attr store1 < 6.912 and attr store1 > 6.812 ) 
     ((attr store1 < 7.56 and attr store1 > 7.5 ) and bondedto
      (attr store1 < 114.78  and attr store1 > 113.98 ))
6 0.1 0.1 peak 1880 volume 3.99095 ppm1 7.530 ppm2 6.862
 
! ############### n15noe.1881 NOT folded
assi (attr store1 < 2.36 and attr store1 > 2.26 ) 
     ((attr store1 < 7.008 and attr store1 > 6.948 ) and bondedto
      (attr store1 < 114.804  and attr store1 > 114.004 ))
6 0.1 0.1 peak 1881 volume 3.91824 ppm1 6.978 ppm2 2.310
 
! ############### n15noe.1882 NOT folded
assi (attr store1 < 1.581 and attr store1 > 1.481 ) 
     ((attr store1 < 7.011 and attr store1 > 6.951 ) and bondedto
      (attr store1 < 114.819  and attr store1 > 114.019 ))
6 0.1 0.1 peak 1882 volume 3.91614 ppm1 6.981 ppm2 1.531
 
! ############### n15noe.1883 NOT folded
assi (attr store1 < 0.958 and attr store1 > 0.858 ) 
     ((attr store1 < 7.005 and attr store1 > 6.945 ) and bondedto
      (attr store1 < 114.786  and attr store1 > 113.986 ))
6 0.1 0.1 peak 1883 volume 28.43674 ppm1 6.975 ppm2 0.908
 
! ############### n15noe.1884 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 8.788 and attr store1 > 8.728 ) and bondedto
      (attr store1 < 114.731  and attr store1 > 113.931 ))
6 0.1 0.1 peak 1884 volume 15.16693 ppm1 8.758 ppm2 4.688
 
! ############### n15noe.1885 NOT folded
assi (attr store1 < 2.599 and attr store1 > 2.499 ) 
     ((attr store1 < 8.523 and attr store1 > 8.463 ) and bondedto
      (attr store1 < 114.696  and attr store1 > 113.896 ))
6 0.1 0.1 peak 1885 volume 3.55481 ppm1 8.493 ppm2 2.549
 
! ############### n15noe.1886 NOT folded
assi (attr store1 < 3.817 and attr store1 > 3.717 ) 
     ((attr store1 < 8.521 and attr store1 > 8.461 ) and bondedto
      (attr store1 < 114.758  and attr store1 > 113.958 ))
6 0.1 0.1 peak 1886 volume 5.37603 ppm1 8.491 ppm2 3.767
 
! ############### n15noe.1887 NOT folded
assi (attr store1 < 4.74 and attr store1 > 4.64 ) 
     ((attr store1 < 8.513 and attr store1 > 8.453 ) and bondedto
      (attr store1 < 114.738  and attr store1 > 113.938 ))
6 0.1 0.1 peak 1887 volume 20.87823 ppm1 8.483 ppm2 4.690
 
! ############### n15noe.1888 NOT folded
assi (attr store1 < 3.597 and attr store1 > 3.497 ) 
     ((attr store1 < 8.513 and attr store1 > 8.453 ) and bondedto
      (attr store1 < 114.74  and attr store1 > 113.94 ))
6 0.1 0.1 peak 1888 volume 6.13365 ppm1 8.483 ppm2 3.547
 
! ############### n15noe.1889 NOT folded
assi (attr store1 < 2.355 and attr store1 > 2.255 ) 
     ((attr store1 < 8.514 and attr store1 > 8.454 ) and bondedto
      (attr store1 < 114.759  and attr store1 > 113.959 ))
6 0.1 0.1 peak 1889 volume 8.97229 ppm1 8.484 ppm2 2.305
 
! ############### n15noe.1890 NOT folded
assi (attr store1 < 8.177 and attr store1 > 8.077 ) 
     ((attr store1 < 8.511 and attr store1 > 8.451 ) and bondedto
      (attr store1 < 114.756  and attr store1 > 113.956 ))
6 0.1 0.1 peak 1890 volume 9.40036 ppm1 8.481 ppm2 8.127
 
! ############### n15noe.1891 NOT folded
assi (attr store1 < 4.105 and attr store1 > 4.005 ) 
     ((attr store1 < 8.509 and attr store1 > 8.449 ) and bondedto
      (attr store1 < 114.754  and attr store1 > 113.954 ))
6 0.1 0.1 peak 1891 volume 17.55386 ppm1 8.479 ppm2 4.055
 
! ############### n15noe.1892 NOT folded
assi (attr store1 < 2.115 and attr store1 > 2.015 ) 
     ((attr store1 < 8.508 and attr store1 > 8.448 ) and bondedto
      (attr store1 < 114.748  and attr store1 > 113.948 ))
6 0.1 0.1 peak 1892 volume 11.83851 ppm1 8.478 ppm2 2.065
 
! ############### n15noe.1893 NOT folded
assi (attr store1 < 1.958 and attr store1 > 1.858 ) 
     ((attr store1 < 8.509 and attr store1 > 8.449 ) and bondedto
      (attr store1 < 114.764  and attr store1 > 113.964 ))
6 0.1 0.1 peak 1893 volume 7.10591 ppm1 8.479 ppm2 1.908
 
! ############### n15noe.1894 NOT folded
assi (attr store1 < 2.183 and attr store1 > 2.083 ) 
     ((attr store1 < 8.504 and attr store1 > 8.444 ) and bondedto
      (attr store1 < 114.73  and attr store1 > 113.93 ))
6 0.1 0.1 peak 1894 volume 5.49849 ppm1 8.474 ppm2 2.133
 
! ############### n15noe.1895 NOT folded
assi (attr store1 < 4.191 and attr store1 > 4.091 ) 
     ((attr store1 < 8.048 and attr store1 > 7.988 ) and bondedto
      (attr store1 < 114.711  and attr store1 > 113.911 ))
6 0.1 0.1 peak 1895 volume 5.75328 ppm1 8.018 ppm2 4.141
 
! ############### n15noe.1896 NOT folded
assi (attr store1 < 4.126 and attr store1 > 4.026 ) 
     ((attr store1 < 8.049 and attr store1 > 7.989 ) and bondedto
      (attr store1 < 114.725  and attr store1 > 113.925 ))
6 0.1 0.1 peak 1896 volume 6.22900 ppm1 8.019 ppm2 4.076
 
! ############### n15noe.1897 NOT folded
assi (attr store1 < 2.132 and attr store1 > 2.032 ) 
     ((attr store1 < 8.041 and attr store1 > 7.981 ) and bondedto
      (attr store1 < 114.68  and attr store1 > 113.88 ))
6 0.1 0.1 peak 1897 volume 12.74172 ppm1 8.011 ppm2 2.082
 
! ############### n15noe.1898 NOT folded
assi (attr store1 < 3.017 and attr store1 > 2.917 ) 
     ((attr store1 < 8.007 and attr store1 > 7.947 ) and bondedto
      (attr store1 < 114.755  and attr store1 > 113.955 ))
6 0.1 0.1 peak 1898 volume 30.72581 ppm1 7.977 ppm2 2.967
 
! ############### n15noe.1899 NOT folded
assi (attr store1 < 1.166 and attr store1 > 1.066 ) 
     ((attr store1 < 8.007 and attr store1 > 7.947 ) and bondedto
      (attr store1 < 114.729  and attr store1 > 113.929 ))
6 0.1 0.1 peak 1899 volume 6.68677 ppm1 7.977 ppm2 1.116
 
! ############### n15noe.1900 NOT folded
assi (attr store1 < 0.96 and attr store1 > 0.86 ) 
     ((attr store1 < 8.007 and attr store1 > 7.947 ) and bondedto
      (attr store1 < 114.767  and attr store1 > 113.967 ))
6 0.1 0.1 peak 1900 volume 19.78377 ppm1 7.977 ppm2 0.910
 
! ############### n15noe.1901 NOT folded
assi (attr store1 < 7.026 and attr store1 > 6.926 ) 
     ((attr store1 < 8.006 and attr store1 > 7.946 ) and bondedto
      (attr store1 < 114.767  and attr store1 > 113.967 ))
6 0.1 0.1 peak 1901 volume 266.82809 ppm1 7.976 ppm2 6.976
 
! ############### n15noe.1902 NOT folded
assi (attr store1 < 1.677 and attr store1 > 1.577 ) 
     ((attr store1 < 8.005 and attr store1 > 7.945 ) and bondedto
      (attr store1 < 114.737  and attr store1 > 113.937 ))
6 0.1 0.1 peak 1902 volume 8.93180 ppm1 7.975 ppm2 1.627
 
! ############### n15noe.1903 NOT folded
assi (attr store1 < 1.911 and attr store1 > 1.811 ) 
     ((attr store1 < 8.001 and attr store1 > 7.941 ) and bondedto
      (attr store1 < 114.708  and attr store1 > 113.908 ))
6 0.1 0.1 peak 1903 volume 3.55399 ppm1 7.971 ppm2 1.861
 
! ############### n15noe.1904 NOT folded
assi (attr store1 < 1.692 and attr store1 > 1.592 ) 
     ((attr store1 < 7.978 and attr store1 > 7.918 ) and bondedto
      (attr store1 < 114.753  and attr store1 > 113.953 ))
6 0.1 0.1 peak 1904 volume 3.76498 ppm1 7.948 ppm2 1.642
 
! ############### n15noe.1905 NOT folded
assi (attr store1 < 4.584 and attr store1 > 4.484 ) 
     ((attr store1 < 7.006 and attr store1 > 6.946 ) and bondedto
      (attr store1 < 114.74  and attr store1 > 113.94 ))
6 0.1 0.1 peak 1905 volume 4.62381 ppm1 6.976 ppm2 4.534
 
! ############### n15noe.1906 NOT folded
assi (attr store1 < 3.015 and attr store1 > 2.915 ) 
     ((attr store1 < 7.006 and attr store1 > 6.946 ) and bondedto
      (attr store1 < 114.764  and attr store1 > 113.964 ))
6 0.1 0.1 peak 1906 volume 30.51369 ppm1 6.976 ppm2 2.965
 
! ############### n15noe.1907 NOT folded
assi (attr store1 < 8.026 and attr store1 > 7.926 ) 
     ((attr store1 < 7.005 and attr store1 > 6.945 ) and bondedto
      (attr store1 < 114.769  and attr store1 > 113.969 ))
6 0.1 0.1 peak 1907 volume 303.20502 ppm1 6.975 ppm2 7.976
 
! ############### n15noe.1908 NOT folded
assi (attr store1 < 4.724 and attr store1 > 4.624 ) 
     ((attr store1 < 7.003 and attr store1 > 6.943 ) and bondedto
      (attr store1 < 114.753  and attr store1 > 113.953 ))
6 0.1 0.1 peak 1908 volume 12.29254 ppm1 6.973 ppm2 4.674
 
! ############### n15noe.1909 NOT folded
assi (attr store1 < 4.281 and attr store1 > 4.181 ) 
     ((attr store1 < 7.003 and attr store1 > 6.943 ) and bondedto
      (attr store1 < 114.727  and attr store1 > 113.927 ))
6 0.1 0.1 peak 1909 volume 4.73397 ppm1 6.973 ppm2 4.231
 
! ############### n15noe.1910 NOT folded
assi (attr store1 < 1.67 and attr store1 > 1.57 ) 
     ((attr store1 < 7.005 and attr store1 > 6.945 ) and bondedto
      (attr store1 < 114.747  and attr store1 > 113.947 ))
6 0.1 0.1 peak 1910 volume 10.94124 ppm1 6.975 ppm2 1.620
 
! ############### n15noe.1911 NOT folded
assi (attr store1 < 1.162 and attr store1 > 1.062 ) 
     ((attr store1 < 7.005 and attr store1 > 6.945 ) and bondedto
      (attr store1 < 114.758  and attr store1 > 113.958 ))
6 0.1 0.1 peak 1911 volume 10.93889 ppm1 6.975 ppm2 1.112
 
! ############### n15noe.1912 NOT folded
assi (attr store1 < 4.136 and attr store1 > 4.036 ) 
     ((attr store1 < 8.062 and attr store1 > 8.002 ) and bondedto
      (attr store1 < 114.664  and attr store1 > 113.864 ))
6 0.1 0.1 peak 1912 volume 6.23669 ppm1 8.032 ppm2 4.086
 
! ############### n15noe.1913 NOT folded
assi (attr store1 < 1.937 and attr store1 > 1.837 ) 
     ((attr store1 < 8.047 and attr store1 > 7.987 ) and bondedto
      (attr store1 < 114.658  and attr store1 > 113.858 ))
6 0.1 0.1 peak 1913 volume 4.36398 ppm1 8.017 ppm2 1.887
 
! ############### n15noe.1914 NOT folded
assi (attr store1 < 1.708 and attr store1 > 1.608 ) 
     ((attr store1 < 8.046 and attr store1 > 7.986 ) and bondedto
      (attr store1 < 114.667  and attr store1 > 113.867 ))
6 0.1 0.1 peak 1914 volume 15.21479 ppm1 8.016 ppm2 1.658
 
! ############### n15noe.1915 NOT folded
assi (attr store1 < 8.475 and attr store1 > 8.375 ) 
     ((attr store1 < 8.042 and attr store1 > 7.982 ) and bondedto
      (attr store1 < 114.652  and attr store1 > 113.852 ))
6 0.1 0.1 peak 1915 volume 9.18896 ppm1 8.012 ppm2 8.425
 
! ############### n15noe.1916 NOT folded
assi (attr store1 < 4.062 and attr store1 > 3.962 ) 
     ((attr store1 < 8.041 and attr store1 > 7.981 ) and bondedto
      (attr store1 < 114.649  and attr store1 > 113.849 ))
6 0.1 0.1 peak 1916 volume 14.42398 ppm1 8.011 ppm2 4.012
 
! ############### n15noe.1917 NOT folded
assi (attr store1 < 2.771 and attr store1 > 2.671 ) 
     ((attr store1 < 8.043 and attr store1 > 7.983 ) and bondedto
      (attr store1 < 114.646  and attr store1 > 113.846 ))
6 0.1 0.1 peak 1917 volume 12.68168 ppm1 8.013 ppm2 2.721
 
! ############### n15noe.1918 NOT folded
assi (attr store1 < 2.429 and attr store1 > 2.329 ) 
     ((attr store1 < 8.043 and attr store1 > 7.983 ) and bondedto
      (attr store1 < 114.658  and attr store1 > 113.858 ))
6 0.1 0.1 peak 1918 volume 13.44364 ppm1 8.013 ppm2 2.379
 
! ############### n15noe.1919 NOT folded
assi (attr store1 < 4.176 and attr store1 > 4.076 ) 
     ((attr store1 < 8.028 and attr store1 > 7.968 ) and bondedto
      (attr store1 < 114.671  and attr store1 > 113.871 ))
6 0.1 0.1 peak 1919 volume 4.94119 ppm1 7.998 ppm2 4.126
 
! ############### n15noe.1920 NOT folded
assi (attr store1 < 7.636 and attr store1 > 7.536 ) 
     ((attr store1 < 6.909 and attr store1 > 6.849 ) and bondedto
      (attr store1 < 114.416  and attr store1 > 113.616 ))
6 0.1 0.1 peak 1920 volume 17.74610 ppm1 6.879 ppm2 7.586
 
! ############### n15noe.1921 NOT folded
assi (attr store1 < 7.606 and attr store1 > 7.506 ) 
     ((attr store1 < 6.849 and attr store1 > 6.789 ) and bondedto
      (attr store1 < 114.419  and attr store1 > 113.619 ))
6 0.1 0.1 peak 1921 volume 14.18914 ppm1 6.819 ppm2 7.556
 
! ############### n15noe.1922 NOT folded
assi (attr store1 < 3.011 and attr store1 > 2.911 ) 
     ((attr store1 < 8.009 and attr store1 > 7.949 ) and bondedto
      (attr store1 < 114.341  and attr store1 > 113.541 ))
6 0.1 0.1 peak 1922 volume 6.84707 ppm1 7.979 ppm2 2.961
 
! ############### n15noe.1923 NOT folded
assi (attr store1 < 3.039 and attr store1 > 2.939 ) 
     ((attr store1 < 7.015 and attr store1 > 6.955 ) and bondedto
      (attr store1 < 114.311  and attr store1 > 113.511 ))
6 0.1 0.1 peak 1923 volume 5.25591 ppm1 6.985 ppm2 2.989
 
! ############### n15noe.1924 NOT folded
assi (attr store1 < 7.746 and attr store1 > 7.646 ) 
     ((attr store1 < 8.086 and attr store1 > 8.026 ) and bondedto
      (attr store1 < 114.217  and attr store1 > 113.417 ))
6 0.1 0.1 peak 1924 volume 18.30013 ppm1 8.056 ppm2 7.696
 
! ############### n15noe.1925 NOT folded
assi (attr store1 < 4.274 and attr store1 > 4.174 ) 
     ((attr store1 < 8.085 and attr store1 > 8.025 ) and bondedto
      (attr store1 < 114.24  and attr store1 > 113.44 ))
6 0.1 0.1 peak 1925 volume 5.34976 ppm1 8.055 ppm2 4.224
 
! ############### n15noe.1926 NOT folded
assi (attr store1 < 4.719 and attr store1 > 4.619 ) 
     ((attr store1 < 8.016 and attr store1 > 7.956 ) and bondedto
      (attr store1 < 114.275  and attr store1 > 113.475 ))
6 0.1 0.1 peak 1926 volume 5.33455 ppm1 7.986 ppm2 4.669
 
! ############### n15noe.1927 NOT folded
assi (attr store1 < 0.973 and attr store1 > 0.873 ) 
     ((attr store1 < 8.013 and attr store1 > 7.953 ) and bondedto
      (attr store1 < 114.248  and attr store1 > 113.448 ))
6 0.1 0.1 peak 1927 volume 4.37879 ppm1 7.983 ppm2 0.923
 
! ############### n15noe.1928 NOT folded
assi (attr store1 < 7.032 and attr store1 > 6.932 ) 
     ((attr store1 < 8.01 and attr store1 > 7.95 ) and bondedto
      (attr store1 < 114.248  and attr store1 > 113.448 ))
6 0.1 0.1 peak 1928 volume 40.55318 ppm1 7.980 ppm2 6.982
 
! ############### n15noe.1929 NOT folded
assi (attr store1 < 8.027 and attr store1 > 7.927 ) 
     ((attr store1 < 7.01 and attr store1 > 6.95 ) and bondedto
      (attr store1 < 114.258  and attr store1 > 113.458 ))
6 0.1 0.1 peak 1929 volume 50.95985 ppm1 6.980 ppm2 7.977
 
! ############### n15noe.1930 NOT folded
assi (attr store1 < 0.965 and attr store1 > 0.865 ) 
     ((attr store1 < 7.011 and attr store1 > 6.951 ) and bondedto
      (attr store1 < 114.288  and attr store1 > 113.488 ))
6 0.1 0.1 peak 1930 volume 4.70914 ppm1 6.981 ppm2 0.915
 
! ############### n15noe.1931 NOT folded
assi (attr store1 < 4.746 and attr store1 > 4.646 ) 
     ((attr store1 < 8.081 and attr store1 > 8.021 ) and bondedto
      (attr store1 < 114.184  and attr store1 > 113.384 ))
6 0.1 0.1 peak 1931 volume 44.76500 ppm1 8.051 ppm2 4.696
 
! ############### n15noe.1932 NOT folded
assi (attr store1 < 4.461 and attr store1 > 4.361 ) 
     ((attr store1 < 8.081 and attr store1 > 8.021 ) and bondedto
      (attr store1 < 114.187  and attr store1 > 113.387 ))
6 0.1 0.1 peak 1932 volume 5.44940 ppm1 8.051 ppm2 4.411
 
! ############### n15noe.1933 NOT folded
assi (attr store1 < 1.344 and attr store1 > 1.244 ) 
     ((attr store1 < 8.082 and attr store1 > 8.022 ) and bondedto
      (attr store1 < 114.176  and attr store1 > 113.376 ))
6 0.1 0.1 peak 1933 volume 18.16571 ppm1 8.052 ppm2 1.294
 
! ############### n15noe.1934 NOT folded
assi (attr store1 < 3.342 and attr store1 > 3.242 ) 
     ((attr store1 < 8.071 and attr store1 > 8.011 ) and bondedto
      (attr store1 < 114.156  and attr store1 > 113.356 ))
6 0.1 0.1 peak 1934 volume 3.77332 ppm1 8.041 ppm2 3.292
 
! ############### n15noe.1935 NOT folded
assi (attr store1 < 3.004 and attr store1 > 2.904 ) 
     ((attr store1 < 7.014 and attr store1 > 6.954 ) and bondedto
      (attr store1 < 114.166  and attr store1 > 113.366 ))
6 0.1 0.1 peak 1935 volume 3.95490 ppm1 6.984 ppm2 2.954
 
! ############### n15noe.1936 NOT folded
assi (attr store1 < 4.734 and attr store1 > 4.634 ) 
     ((attr store1 < 8.464 and attr store1 > 8.404 ) and bondedto
      (attr store1 < 114.038  and attr store1 > 113.238 ))
6 0.1 0.1 peak 1936 volume 5.45798 ppm1 8.434 ppm2 4.684
 
! ############### n15noe.1937 NOT folded
assi (attr store1 < 6.889 and attr store1 > 6.789 ) 
     ((attr store1 < 7.617 and attr store1 > 7.557 ) and bondedto
      (attr store1 < 113.85  and attr store1 > 113.05 ))
6 0.1 0.1 peak 1937 volume 523.98834 ppm1 7.587 ppm2 6.839
 
! ############### n15noe.1938 NOT folded
assi (attr store1 < 4.736 and attr store1 > 4.636 ) 
     ((attr store1 < 7.617 and attr store1 > 7.557 ) and bondedto
      (attr store1 < 113.85  and attr store1 > 113.05 ))
6 0.1 0.1 peak 1938 volume 59.76509 ppm1 7.587 ppm2 4.686
 
! ############### n15noe.1939 NOT folded
assi (attr store1 < 2.986 and attr store1 > 2.886 ) 
     ((attr store1 < 7.614 and attr store1 > 7.554 ) and bondedto
      (attr store1 < 113.86  and attr store1 > 113.06 ))
6 0.1 0.1 peak 1939 volume 13.65000 ppm1 7.584 ppm2 2.936
 
! ############### n15noe.1940 NOT folded
assi (attr store1 < 2.833 and attr store1 > 2.733 ) 
     ((attr store1 < 7.614 and attr store1 > 7.554 ) and bondedto
      (attr store1 < 113.867  and attr store1 > 113.067 ))
6 0.1 0.1 peak 1940 volume 28.39498 ppm1 7.584 ppm2 2.783
 
! ############### n15noe.1941 NOT folded
assi (attr store1 < 3.883 and attr store1 > 3.783 ) 
     ((attr store1 < 6.871 and attr store1 > 6.811 ) and bondedto
      (attr store1 < 113.868  and attr store1 > 113.068 ))
6 0.1 0.1 peak 1941 volume 5.00137 ppm1 6.841 ppm2 3.833
 
! ############### n15noe.1942 NOT folded
assi (attr store1 < 7.636 and attr store1 > 7.536 ) 
     ((attr store1 < 6.867 and attr store1 > 6.807 ) and bondedto
      (attr store1 < 113.855  and attr store1 > 113.055 ))
6 0.1 0.1 peak 1942 volume 540.06073 ppm1 6.837 ppm2 7.586
 
! ############### n15noe.1943 NOT folded
assi (attr store1 < 4.745 and attr store1 > 4.645 ) 
     ((attr store1 < 6.866 and attr store1 > 6.806 ) and bondedto
      (attr store1 < 113.867  and attr store1 > 113.067 ))
6 0.1 0.1 peak 1943 volume 54.71069 ppm1 6.836 ppm2 4.695
 
! ############### n15noe.1944 NOT folded
assi (attr store1 < 2.99 and attr store1 > 2.89 ) 
     ((attr store1 < 6.867 and attr store1 > 6.807 ) and bondedto
      (attr store1 < 113.848  and attr store1 > 113.048 ))
6 0.1 0.1 peak 1944 volume 11.17935 ppm1 6.837 ppm2 2.940
 
! ############### n15noe.1945 NOT folded
assi (attr store1 < 2.83 and attr store1 > 2.73 ) 
     ((attr store1 < 6.867 and attr store1 > 6.807 ) and bondedto
      (attr store1 < 113.858  and attr store1 > 113.058 ))
6 0.1 0.1 peak 1945 volume 22.67869 ppm1 6.837 ppm2 2.780
 
! ############### n15noe.1946 NOT folded
assi (attr store1 < 2.354 and attr store1 > 2.254 ) 
     ((attr store1 < 7.557 and attr store1 > 7.497 ) and bondedto
      (attr store1 < 113.667  and attr store1 > 112.867 ))
6 0.1 0.1 peak 1946 volume 5.19976 ppm1 7.527 ppm2 2.304
 
! ############### n15noe.1947 NOT folded
assi (attr store1 < 2.279 and attr store1 > 2.179 ) 
     ((attr store1 < 7.558 and attr store1 > 7.498 ) and bondedto
      (attr store1 < 113.652  and attr store1 > 112.852 ))
6 0.1 0.1 peak 1947 volume 3.93682 ppm1 7.528 ppm2 2.229
 
! ############### n15noe.1948 NOT folded
assi (attr store1 < 6.908 and attr store1 > 6.808 ) 
     ((attr store1 < 7.552 and attr store1 > 7.492 ) and bondedto
      (attr store1 < 113.63  and attr store1 > 112.83 ))
6 0.1 0.1 peak 1948 volume 862.64020 ppm1 7.522 ppm2 6.858
 
! ############### n15noe.1949 NOT folded
assi (attr store1 < 2.753 and attr store1 > 2.653 ) 
     ((attr store1 < 7.552 and attr store1 > 7.492 ) and bondedto
      (attr store1 < 113.641  and attr store1 > 112.841 ))
6 0.1 0.1 peak 1949 volume 5.13853 ppm1 7.522 ppm2 2.703
 
! ############### n15noe.1950 NOT folded
assi (attr store1 < 2.601 and attr store1 > 2.501 ) 
     ((attr store1 < 7.552 and attr store1 > 7.492 ) and bondedto
      (attr store1 < 113.646  and attr store1 > 112.846 ))
6 0.1 0.1 peak 1950 volume 25.39801 ppm1 7.522 ppm2 2.551
 
! ############### n15noe.1951 NOT folded
assi (attr store1 < 0.993 and attr store1 > 0.893 ) 
     ((attr store1 < 7.553 and attr store1 > 7.493 ) and bondedto
      (attr store1 < 113.629  and attr store1 > 112.829 ))
6 0.1 0.1 peak 1951 volume 16.85811 ppm1 7.523 ppm2 0.943
 
! ############### n15noe.1952 NOT folded
assi (attr store1 < 4.145 and attr store1 > 4.045 ) 
     ((attr store1 < 7.55 and attr store1 > 7.49 ) and bondedto
      (attr store1 < 113.634  and attr store1 > 112.834 ))
6 0.1 0.1 peak 1952 volume 5.42111 ppm1 7.520 ppm2 4.095
 
! ############### n15noe.1953 NOT folded
assi (attr store1 < 2.808 and attr store1 > 2.708 ) 
     ((attr store1 < 7.548 and attr store1 > 7.488 ) and bondedto
      (attr store1 < 113.658  and attr store1 > 112.858 ))
6 0.1 0.1 peak 1953 volume 5.13424 ppm1 7.518 ppm2 2.758
 
! ############### n15noe.1954 NOT folded
assi (attr store1 < 8.192 and attr store1 > 8.092 ) 
     ((attr store1 < 6.888 and attr store1 > 6.828 ) and bondedto
      (attr store1 < 113.647  and attr store1 > 112.847 ))
6 0.1 0.1 peak 1954 volume 6.77698 ppm1 6.858 ppm2 8.142
 
! ############### n15noe.1955 NOT folded
assi (attr store1 < 7.573 and attr store1 > 7.473 ) 
     ((attr store1 < 6.888 and attr store1 > 6.828 ) and bondedto
      (attr store1 < 113.624  and attr store1 > 112.824 ))
6 0.1 0.1 peak 1955 volume 941.70831 ppm1 6.858 ppm2 7.523
 
! ############### n15noe.1956 NOT folded
assi (attr store1 < 2.602 and attr store1 > 2.502 ) 
     ((attr store1 < 6.888 and attr store1 > 6.828 ) and bondedto
      (attr store1 < 113.654  and attr store1 > 112.854 ))
6 0.1 0.1 peak 1956 volume 29.50184 ppm1 6.858 ppm2 2.552
 
! ############### n15noe.1957 NOT folded
assi (attr store1 < 1.161 and attr store1 > 1.061 ) 
     ((attr store1 < 6.886 and attr store1 > 6.826 ) and bondedto
      (attr store1 < 113.638  and attr store1 > 112.838 ))
6 0.1 0.1 peak 1957 volume 5.39112 ppm1 6.856 ppm2 1.111
 
! ############### n15noe.1958 NOT folded
assi (attr store1 < 0.995 and attr store1 > 0.895 ) 
     ((attr store1 < 6.889 and attr store1 > 6.829 ) and bondedto
      (attr store1 < 113.62  and attr store1 > 112.82 ))
6 0.1 0.1 peak 1958 volume 19.58488 ppm1 6.859 ppm2 0.945
 
! ############### n15noe.1959 NOT folded
assi (attr store1 < 2.247 and attr store1 > 2.147 ) 
     ((attr store1 < 6.885 and attr store1 > 6.825 ) and bondedto
      (attr store1 < 113.649  and attr store1 > 112.849 ))
6 0.1 0.1 peak 1959 volume 4.56997 ppm1 6.855 ppm2 2.197
 
! ############### n15noe.1960 folded
assi (attr store1 < 6.96 and attr store1 > 6.86 )
     ((attr store1 < 7.536 and attr store1 > 7.476 ) and bondedto
      (attr store1 < 88.9791357939  and attr store1 > 88.1791357939 ))
6 0.1 0.1 peak 1960 volume 3.57035 ppm1 7.506 ppm2 6.910
 
! ############### n15noe.1961 folded
assi (attr store1 < 6.968 and attr store1 > 6.868 )
     ((attr store1 < 7.514 and attr store1 > 7.454 ) and bondedto
      (attr store1 < 88.9981357939  and attr store1 > 88.1981357939 ))
6 0.1 0.1 peak 1961 volume 14.68152 ppm1 7.484 ppm2 6.918
 
! ############### n15noe.1962 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 8.463 and attr store1 > 8.403 ) and bondedto
      (attr store1 < 113.569  and attr store1 > 112.769 ))
6 0.1 0.1 peak 1962 volume 24.29120 ppm1 8.433 ppm2 4.687
 
! ############### n15noe.1963 NOT folded
assi (attr store1 < 8.198 and attr store1 > 8.098 ) 
     ((attr store1 < 7.552 and attr store1 > 7.492 ) and bondedto
      (attr store1 < 113.597  and attr store1 > 112.797 ))
6 0.1 0.1 peak 1963 volume 8.28202 ppm1 7.522 ppm2 8.148
 
! ############### n15noe.1964 NOT folded
assi (attr store1 < 3.058 and attr store1 > 2.958 ) 
     ((attr store1 < 7.552 and attr store1 > 7.492 ) and bondedto
      (attr store1 < 113.583  and attr store1 > 112.783 ))
6 0.1 0.1 peak 1964 volume 7.29038 ppm1 7.522 ppm2 3.008
 
! ############### n15noe.1965 NOT folded
assi (attr store1 < 2.642 and attr store1 > 2.542 ) 
     ((attr store1 < 7.552 and attr store1 > 7.492 ) and bondedto
      (attr store1 < 113.603  and attr store1 > 112.803 ))
6 0.1 0.1 peak 1965 volume 22.11114 ppm1 7.522 ppm2 2.592
 
! ############### n15noe.1966 NOT folded
assi (attr store1 < 4.732 and attr store1 > 4.632 ) 
     ((attr store1 < 7.548 and attr store1 > 7.488 ) and bondedto
      (attr store1 < 113.586  and attr store1 > 112.786 ))
6 0.1 0.1 peak 1966 volume 15.87356 ppm1 7.518 ppm2 4.682
 
! ############### n15noe.1967 NOT folded
assi (attr store1 < 3.827 and attr store1 > 3.727 ) 
     ((attr store1 < 7.549 and attr store1 > 7.489 ) and bondedto
      (attr store1 < 113.579  and attr store1 > 112.779 ))
6 0.1 0.1 peak 1967 volume 7.11852 ppm1 7.519 ppm2 3.777
 
! ############### n15noe.1968 NOT folded
assi (attr store1 < 6.89 and attr store1 > 6.79 ) 
     ((attr store1 < 7.585 and attr store1 > 7.525 ) and bondedto
      (attr store1 < 113.475  and attr store1 > 112.675 ))
6 0.1 0.1 peak 1968 volume 52.06467 ppm1 7.555 ppm2 6.840
 
! ############### n15noe.1969 NOT folded
assi (attr store1 < 7.489 and attr store1 > 7.389 ) 
     ((attr store1 < 7.563 and attr store1 > 7.503 ) and bondedto
      (attr store1 < 113.486  and attr store1 > 112.686 ))
6 0.1 0.1 peak 1969 volume 11.34301 ppm1 7.533 ppm2 7.439
 
! ############### n15noe.1970 NOT folded
assi (attr store1 < 7.405 and attr store1 > 7.305 ) 
     ((attr store1 < 7.562 and attr store1 > 7.502 ) and bondedto
      (attr store1 < 113.494  and attr store1 > 112.694 ))
6 0.1 0.1 peak 1970 volume 5.58322 ppm1 7.532 ppm2 7.355
 
! ############### n15noe.1971 NOT folded
assi (attr store1 < 7.533 and attr store1 > 7.433 ) 
     ((attr store1 < 7.499 and attr store1 > 7.439 ) and bondedto
      (attr store1 < 113.477  and attr store1 > 112.677 ))
6 0.1 0.1 peak 1971 volume 7.49627 ppm1 7.469 ppm2 7.483
 
! ############### n15noe.1972 NOT folded
assi (attr store1 < 2.776 and attr store1 > 2.676 ) 
     ((attr store1 < 6.889 and attr store1 > 6.829 ) and bondedto
      (attr store1 < 113.486  and attr store1 > 112.686 ))
6 0.1 0.1 peak 1972 volume 7.61013 ppm1 6.859 ppm2 2.726
 
! ############### n15noe.1973 NOT folded
assi (attr store1 < 2.702 and attr store1 > 2.602 ) 
     ((attr store1 < 6.888 and attr store1 > 6.828 ) and bondedto
      (attr store1 < 113.475  and attr store1 > 112.675 ))
6 0.1 0.1 peak 1973 volume 11.47544 ppm1 6.858 ppm2 2.652
 
! ############### n15noe.1974 NOT folded
assi (attr store1 < 2.632 and attr store1 > 2.532 ) 
     ((attr store1 < 6.889 and attr store1 > 6.829 ) and bondedto
      (attr store1 < 113.504  and attr store1 > 112.704 ))
6 0.1 0.1 peak 1974 volume 20.68021 ppm1 6.859 ppm2 2.582
 
! ############### n15noe.1975 NOT folded
assi (attr store1 < 6.895 and attr store1 > 6.795 ) 
     ((attr store1 < 7.619 and attr store1 > 7.559 ) and bondedto
      (attr store1 < 113.363  and attr store1 > 112.563 ))
6 0.1 0.1 peak 1975 volume 78.82512 ppm1 7.589 ppm2 6.845
 
! ############### n15noe.1976 NOT folded
assi (attr store1 < 2.818 and attr store1 > 2.718 ) 
     ((attr store1 < 7.619 and attr store1 > 7.559 ) and bondedto
      (attr store1 < 113.396  and attr store1 > 112.596 ))
6 0.1 0.1 peak 1976 volume 5.42539 ppm1 7.589 ppm2 2.768
 
! ############### n15noe.1977 NOT folded
assi (attr store1 < 4.735 and attr store1 > 4.635 ) 
     ((attr store1 < 7.615 and attr store1 > 7.555 ) and bondedto
      (attr store1 < 113.381  and attr store1 > 112.581 ))
6 0.1 0.1 peak 1977 volume 11.17063 ppm1 7.585 ppm2 4.685
 
! ############### n15noe.1978 NOT folded
assi (attr store1 < 0.806 and attr store1 > 0.706 ) 
     ((attr store1 < 7.589 and attr store1 > 7.529 ) and bondedto
      (attr store1 < 113.085  and attr store1 > 112.285 ))
6 0.1 0.1 peak 1978 volume 4.96670 ppm1 7.559 ppm2 0.756
 
! ############### n15noe.1979 NOT folded
assi (attr store1 < 8.495 and attr store1 > 8.395 ) 
     ((attr store1 < 7.587 and attr store1 > 7.527 ) and bondedto
      (attr store1 < 113.065  and attr store1 > 112.265 ))
6 0.1 0.1 peak 1979 volume 5.20983 ppm1 7.557 ppm2 8.445
 
! ############### n15noe.1980 NOT folded
assi (attr store1 < 6.894 and attr store1 > 6.794 ) 
     ((attr store1 < 7.586 and attr store1 > 7.526 ) and bondedto
      (attr store1 < 113.088  and attr store1 > 112.288 ))
6 0.1 0.1 peak 1980 volume 428.68073 ppm1 7.556 ppm2 6.844
 
! ############### n15noe.1981 NOT folded
assi (attr store1 < 4.499 and attr store1 > 4.399 ) 
     ((attr store1 < 7.587 and attr store1 > 7.527 ) and bondedto
      (attr store1 < 113.086  and attr store1 > 112.286 ))
6 0.1 0.1 peak 1981 volume 6.21578 ppm1 7.557 ppm2 4.449
 
! ############### n15noe.1982 NOT folded
assi (attr store1 < 3.12 and attr store1 > 3.02 ) 
     ((attr store1 < 7.585 and attr store1 > 7.525 ) and bondedto
      (attr store1 < 113.078  and attr store1 > 112.278 ))
6 0.1 0.1 peak 1982 volume 17.35441 ppm1 7.555 ppm2 3.070
 
! ############### n15noe.1983 NOT folded
assi (attr store1 < 2.949 and attr store1 > 2.849 ) 
     ((attr store1 < 7.587 and attr store1 > 7.527 ) and bondedto
      (attr store1 < 113.084  and attr store1 > 112.284 ))
6 0.1 0.1 peak 1983 volume 11.59641 ppm1 7.557 ppm2 2.899
 
! ############### n15noe.1984 NOT folded
assi (attr store1 < 2.344 and attr store1 > 2.244 ) 
     ((attr store1 < 7.588 and attr store1 > 7.528 ) and bondedto
      (attr store1 < 113.087  and attr store1 > 112.287 ))
6 0.1 0.1 peak 1984 volume 3.73480 ppm1 7.558 ppm2 2.294
 
! ############### n15noe.1985 NOT folded
assi (attr store1 < 1.649 and attr store1 > 1.549 ) 
     ((attr store1 < 7.584 and attr store1 > 7.524 ) and bondedto
      (attr store1 < 113.081  and attr store1 > 112.281 ))
6 0.1 0.1 peak 1985 volume 7.52447 ppm1 7.554 ppm2 1.599
 
! ############### n15noe.1986 NOT folded
assi (attr store1 < 4.389 and attr store1 > 4.289 ) 
     ((attr store1 < 7.583 and attr store1 > 7.523 ) and bondedto
      (attr store1 < 113.089  and attr store1 > 112.289 ))
6 0.1 0.1 peak 1986 volume 9.83842 ppm1 7.553 ppm2 4.339
 
! ############### n15noe.1987 NOT folded
assi (attr store1 < 0.961 and attr store1 > 0.861 ) 
     ((attr store1 < 7.582 and attr store1 > 7.522 ) and bondedto
      (attr store1 < 113.067  and attr store1 > 112.267 ))
6 0.1 0.1 peak 1987 volume 5.16824 ppm1 7.552 ppm2 0.911
 
! ############### n15noe.1988 NOT folded
assi (attr store1 < 7.605 and attr store1 > 7.505 ) 
     ((attr store1 < 6.877 and attr store1 > 6.817 ) and bondedto
      (attr store1 < 113.086  and attr store1 > 112.286 ))
6 0.1 0.1 peak 1988 volume 485.55197 ppm1 6.847 ppm2 7.555
 
! ############### n15noe.1989 NOT folded
assi (attr store1 < 4.393 and attr store1 > 4.293 ) 
     ((attr store1 < 6.875 and attr store1 > 6.815 ) and bondedto
      (attr store1 < 113.098  and attr store1 > 112.298 ))
6 0.1 0.1 peak 1989 volume 10.03111 ppm1 6.845 ppm2 4.343
 
! ############### n15noe.1990 NOT folded
assi (attr store1 < 3.106 and attr store1 > 3.006 ) 
     ((attr store1 < 6.877 and attr store1 > 6.817 ) and bondedto
      (attr store1 < 113.089  and attr store1 > 112.289 ))
6 0.1 0.1 peak 1990 volume 18.97496 ppm1 6.847 ppm2 3.056
 
! ############### n15noe.1991 NOT folded
assi (attr store1 < 2.957 and attr store1 > 2.857 ) 
     ((attr store1 < 6.878 and attr store1 > 6.818 ) and bondedto
      (attr store1 < 113.091  and attr store1 > 112.291 ))
6 0.1 0.1 peak 1991 volume 12.84987 ppm1 6.848 ppm2 2.907
 
! ############### n15noe.1992 NOT folded
assi (attr store1 < 2.34 and attr store1 > 2.24 ) 
     ((attr store1 < 6.876 and attr store1 > 6.816 ) and bondedto
      (attr store1 < 113.079  and attr store1 > 112.279 ))
6 0.1 0.1 peak 1992 volume 5.64486 ppm1 6.846 ppm2 2.290
 
! ############### n15noe.1993 NOT folded
assi (attr store1 < 1.645 and attr store1 > 1.545 ) 
     ((attr store1 < 6.875 and attr store1 > 6.815 ) and bondedto
      (attr store1 < 113.105  and attr store1 > 112.305 ))
6 0.1 0.1 peak 1993 volume 7.60301 ppm1 6.845 ppm2 1.595
 
! ############### n15noe.1994 NOT folded
assi (attr store1 < 0.817 and attr store1 > 0.717 ) 
     ((attr store1 < 6.879 and attr store1 > 6.819 ) and bondedto
      (attr store1 < 113.075  and attr store1 > 112.275 ))
6 0.1 0.1 peak 1994 volume 5.91430 ppm1 6.849 ppm2 0.767
 
! ############### n15noe.1995 NOT folded
assi (attr store1 < 8.491 and attr store1 > 8.391 ) 
     ((attr store1 < 6.874 and attr store1 > 6.814 ) and bondedto
      (attr store1 < 113.087  and attr store1 > 112.287 ))
6 0.1 0.1 peak 1995 volume 4.81937 ppm1 6.844 ppm2 8.441
 
! ############### n15noe.1996 NOT folded
assi (attr store1 < 4.742 and attr store1 > 4.642 ) 
     ((attr store1 < 8.45 and attr store1 > 8.39 ) and bondedto
      (attr store1 < 112.947  and attr store1 > 112.147 ))
6 0.1 0.1 peak 1996 volume 9.11545 ppm1 8.420 ppm2 4.692
 
! ############### n15noe.1997 NOT folded
assi (attr store1 < 4.493 and attr store1 > 4.393 ) 
     ((attr store1 < 7.57 and attr store1 > 7.51 ) and bondedto
      (attr store1 < 113.012  and attr store1 > 112.212 ))
6 0.1 0.1 peak 1997 volume 4.03707 ppm1 7.540 ppm2 4.443
 
! ############### n15noe.1998 NOT folded
assi (attr store1 < 7.118 and attr store1 > 7.018 ) 
     ((attr store1 < 7.564 and attr store1 > 7.504 ) and bondedto
      (attr store1 < 112.952  and attr store1 > 112.152 ))
6 0.1 0.1 peak 1998 volume 693.27246 ppm1 7.534 ppm2 7.068
 
! ############### n15noe.1999 NOT folded
assi (attr store1 < 4.165 and attr store1 > 4.065 ) 
     ((attr store1 < 7.564 and attr store1 > 7.504 ) and bondedto
      (attr store1 < 112.971  and attr store1 > 112.171 ))
6 0.1 0.1 peak 1999 volume 4.80585 ppm1 7.534 ppm2 4.115
 
! ############### n15noe.2000 NOT folded
assi (attr store1 < 2.604 and attr store1 > 2.504 ) 
     ((attr store1 < 7.563 and attr store1 > 7.503 ) and bondedto
      (attr store1 < 112.954  and attr store1 > 112.154 ))
6 0.1 0.1 peak 2000 volume 25.60752 ppm1 7.533 ppm2 2.554
 
! ############### n15noe.2001 NOT folded
assi (attr store1 < 2.317 and attr store1 > 2.217 ) 
     ((attr store1 < 7.563 and attr store1 > 7.503 ) and bondedto
      (attr store1 < 112.988  and attr store1 > 112.188 ))
6 0.1 0.1 peak 2001 volume 5.36069 ppm1 7.533 ppm2 2.267
 
! ############### n15noe.2002 NOT folded
assi (attr store1 < 2.235 and attr store1 > 2.135 ) 
     ((attr store1 < 7.565 and attr store1 > 7.505 ) and bondedto
      (attr store1 < 112.975  and attr store1 > 112.175 ))
6 0.1 0.1 peak 2002 volume 4.71153 ppm1 7.535 ppm2 2.185
 
! ############### n15noe.2003 NOT folded
assi (attr store1 < 1.876 and attr store1 > 1.776 ) 
     ((attr store1 < 7.564 and attr store1 > 7.504 ) and bondedto
      (attr store1 < 113.018  and attr store1 > 112.218 ))
6 0.1 0.1 peak 2003 volume 4.08585 ppm1 7.534 ppm2 1.826
 
! ############### n15noe.2004 NOT folded
assi (attr store1 < 6.834 and attr store1 > 6.734 ) 
     ((attr store1 < 7.401 and attr store1 > 7.341 ) and bondedto
      (attr store1 < 113.021  and attr store1 > 112.221 ))
6 0.1 0.1 peak 2004 volume 13.41378 ppm1 7.371 ppm2 6.784
 
! ############### n15noe.2005 NOT folded
assi (attr store1 < 0.972 and attr store1 > 0.872 ) 
     ((attr store1 < 6.883 and attr store1 > 6.823 ) and bondedto
      (attr store1 < 113.008  and attr store1 > 112.208 ))
6 0.1 0.1 peak 2005 volume 7.83223 ppm1 6.853 ppm2 0.922
 
! ############### n15noe.2006 NOT folded
assi (attr store1 < 7.424 and attr store1 > 7.324 ) 
     ((attr store1 < 6.814 and attr store1 > 6.754 ) and bondedto
      (attr store1 < 113.014  and attr store1 > 112.214 ))
6 0.1 0.1 peak 2006 volume 12.91423 ppm1 6.784 ppm2 7.374
 
! ############### n15noe.2007 NOT folded
assi (attr store1 < 4.736 and attr store1 > 4.636 ) 
     ((attr store1 < 7.563 and attr store1 > 7.503 ) and bondedto
      (attr store1 < 112.922  and attr store1 > 112.122 ))
6 0.1 0.1 peak 2007 volume 72.90896 ppm1 7.533 ppm2 4.686
 
! ############### n15noe.2008 NOT folded
assi (attr store1 < 2.436 and attr store1 > 2.336 ) 
     ((attr store1 < 7.565 and attr store1 > 7.505 ) and bondedto
      (attr store1 < 112.883  and attr store1 > 112.083 ))
6 0.1 0.1 peak 2008 volume 3.66252 ppm1 7.535 ppm2 2.386
 
! ############### n15noe.2009 NOT folded
assi (attr store1 < 1.839 and attr store1 > 1.739 ) 
     ((attr store1 < 7.564 and attr store1 > 7.504 ) and bondedto
      (attr store1 < 112.897  and attr store1 > 112.097 ))
6 0.1 0.1 peak 2009 volume 4.00059 ppm1 7.534 ppm2 1.789
 
! ############### n15noe.2010 NOT folded
assi (attr store1 < 1.76 and attr store1 > 1.66 ) 
     ((attr store1 < 7.565 and attr store1 > 7.505 ) and bondedto
      (attr store1 < 112.93  and attr store1 > 112.13 ))
6 0.1 0.1 peak 2010 volume 4.91402 ppm1 7.535 ppm2 1.710
 
! ############### n15noe.2011 NOT folded
assi (attr store1 < 7.587 and attr store1 > 7.487 ) 
     ((attr store1 < 7.098 and attr store1 > 7.038 ) and bondedto
      (attr store1 < 112.92  and attr store1 > 112.12 ))
6 0.1 0.1 peak 2011 volume 670.87402 ppm1 7.068 ppm2 7.537
 
! ############### n15noe.2012 NOT folded
assi (attr store1 < 4.733 and attr store1 > 4.633 ) 
     ((attr store1 < 7.098 and attr store1 > 7.038 ) and bondedto
      (attr store1 < 112.917  and attr store1 > 112.117 ))
6 0.1 0.1 peak 2012 volume 56.65208 ppm1 7.068 ppm2 4.683
 
! ############### n15noe.2013 NOT folded
assi (attr store1 < 4.207 and attr store1 > 4.107 ) 
     ((attr store1 < 7.096 and attr store1 > 7.036 ) and bondedto
      (attr store1 < 112.901  and attr store1 > 112.101 ))
6 0.1 0.1 peak 2013 volume 4.54832 ppm1 7.066 ppm2 4.157
 
! ############### n15noe.2014 NOT folded
assi (attr store1 < 2.605 and attr store1 > 2.505 ) 
     ((attr store1 < 7.099 and attr store1 > 7.039 ) and bondedto
      (attr store1 < 112.921  and attr store1 > 112.121 ))
6 0.1 0.1 peak 2014 volume 18.05531 ppm1 7.069 ppm2 2.555
 
! ############### n15noe.2015 NOT folded
assi (attr store1 < 1.853 and attr store1 > 1.753 ) 
     ((attr store1 < 7.095 and attr store1 > 7.035 ) and bondedto
      (attr store1 < 112.902  and attr store1 > 112.102 ))
6 0.1 0.1 peak 2015 volume 4.51116 ppm1 7.065 ppm2 1.803
 
! ############### n15noe.2016 NOT folded
assi (attr store1 < 1.768 and attr store1 > 1.668 ) 
     ((attr store1 < 7.099 and attr store1 > 7.039 ) and bondedto
      (attr store1 < 112.889  and attr store1 > 112.089 ))
6 0.1 0.1 peak 2016 volume 4.48661 ppm1 7.069 ppm2 1.718
 
! ############### n15noe.2017 NOT folded
assi (attr store1 < 4.133 and attr store1 > 4.033 ) 
     ((attr store1 < 7.094 and attr store1 > 7.034 ) and bondedto
      (attr store1 < 112.905  and attr store1 > 112.105 ))
6 0.1 0.1 peak 2017 volume 5.03515 ppm1 7.064 ppm2 4.083
 
! ############### n15noe.2018 NOT folded
assi (attr store1 < 7.592 and attr store1 > 7.492 ) 
     ((attr store1 < 6.987 and attr store1 > 6.927 ) and bondedto
      (attr store1 < 112.907  and attr store1 > 112.107 ))
6 0.1 0.1 peak 2018 volume 9.88099 ppm1 6.957 ppm2 7.542
 
! ############### n15noe.2019 NOT folded
assi (attr store1 < 7.119 and attr store1 > 7.019 ) 
     ((attr store1 < 6.983 and attr store1 > 6.923 ) and bondedto
      (attr store1 < 112.884  and attr store1 > 112.084 ))
6 0.1 0.1 peak 2019 volume 10.51672 ppm1 6.953 ppm2 7.069
 
! ############### n15noe.2020 NOT folded
assi (attr store1 < 6.886 and attr store1 > 6.786 ) 
     ((attr store1 < 6.758 and attr store1 > 6.698 ) and bondedto
      (attr store1 < 112.875  and attr store1 > 112.075 ))
6 0.1 0.1 peak 2020 volume 9.02100 ppm1 6.728 ppm2 6.836
 
! ############### n15noe.2021 NOT folded
assi (attr store1 < 7.307 and attr store1 > 7.207 ) 
     ((attr store1 < 7.655 and attr store1 > 7.595 ) and bondedto
      (attr store1 < 112.753  and attr store1 > 111.953 ))
6 0.1 0.1 peak 2021 volume 114.59708 ppm1 7.625 ppm2 7.257
 
! ############### n15noe.2022 NOT folded
assi (attr store1 < 4.174 and attr store1 > 4.074 ) 
     ((attr store1 < 7.653 and attr store1 > 7.593 ) and bondedto
      (attr store1 < 112.763  and attr store1 > 111.963 ))
6 0.1 0.1 peak 2022 volume 5.33714 ppm1 7.623 ppm2 4.124
 
! ############### n15noe.2023 NOT folded
assi (attr store1 < 2.418 and attr store1 > 2.318 ) 
     ((attr store1 < 7.653 and attr store1 > 7.593 ) and bondedto
      (attr store1 < 112.761  and attr store1 > 111.961 ))
6 0.1 0.1 peak 2023 volume 7.17777 ppm1 7.623 ppm2 2.368
 
! ############### n15noe.2024 NOT folded
assi (attr store1 < 2.248 and attr store1 > 2.148 ) 
     ((attr store1 < 7.523 and attr store1 > 7.463 ) and bondedto
      (attr store1 < 112.802  and attr store1 > 112.002 ))
6 0.1 0.1 peak 2024 volume 4.85905 ppm1 7.493 ppm2 2.198
 
! ############### n15noe.2025 NOT folded
assi (attr store1 < 6.886 and attr store1 > 6.786 ) 
     ((attr store1 < 7.522 and attr store1 > 7.462 ) and bondedto
      (attr store1 < 112.774  and attr store1 > 111.974 ))
6 0.1 0.1 peak 2025 volume 1081.08447 ppm1 7.492 ppm2 6.836
 
! ############### n15noe.2026 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 7.522 and attr store1 > 7.462 ) and bondedto
      (attr store1 < 112.774  and attr store1 > 111.974 ))
6 0.1 0.1 peak 2026 volume 77.87485 ppm1 7.492 ppm2 4.688
 
! ############### n15noe.2027 NOT folded
assi (attr store1 < 2.53 and attr store1 > 2.43 ) 
     ((attr store1 < 7.521 and attr store1 > 7.461 ) and bondedto
      (attr store1 < 112.786  and attr store1 > 111.986 ))
6 0.1 0.1 peak 2027 volume 21.37444 ppm1 7.491 ppm2 2.480
 
! ############### n15noe.2028 NOT folded
assi (attr store1 < 2.821 and attr store1 > 2.721 ) 
     ((attr store1 < 7.288 and attr store1 > 7.228 ) and bondedto
      (attr store1 < 112.764  and attr store1 > 111.964 ))
6 0.1 0.1 peak 2028 volume 6.61127 ppm1 7.258 ppm2 2.771
 
! ############### n15noe.2029 NOT folded
assi (attr store1 < 1.209 and attr store1 > 1.109 ) 
     ((attr store1 < 7.29 and attr store1 > 7.23 ) and bondedto
      (attr store1 < 112.78  and attr store1 > 111.98 ))
6 0.1 0.1 peak 2029 volume 8.82867 ppm1 7.260 ppm2 1.159
 
! ############### n15noe.2030 NOT folded
assi (attr store1 < 7.679 and attr store1 > 7.579 ) 
     ((attr store1 < 7.285 and attr store1 > 7.225 ) and bondedto
      (attr store1 < 112.753  and attr store1 > 111.953 ))
6 0.1 0.1 peak 2030 volume 106.98370 ppm1 7.255 ppm2 7.629
 
! ############### n15noe.2031 NOT folded
assi (attr store1 < 4.18 and attr store1 > 4.08 ) 
     ((attr store1 < 7.284 and attr store1 > 7.224 ) and bondedto
      (attr store1 < 112.755  and attr store1 > 111.955 ))
6 0.1 0.1 peak 2031 volume 6.89375 ppm1 7.254 ppm2 4.130
 
! ############### n15noe.2032 NOT folded
assi (attr store1 < 7.542 and attr store1 > 7.442 ) 
     ((attr store1 < 6.865 and attr store1 > 6.805 ) and bondedto
      (attr store1 < 112.78  and attr store1 > 111.98 ))
6 0.1 0.1 peak 2032 volume 1169.39331 ppm1 6.835 ppm2 7.492
 
! ############### n15noe.2033 NOT folded
assi (attr store1 < 4.74 and attr store1 > 4.64 ) 
     ((attr store1 < 6.865 and attr store1 > 6.805 ) and bondedto
      (attr store1 < 112.776  and attr store1 > 111.976 ))
6 0.1 0.1 peak 2033 volume 67.50844 ppm1 6.835 ppm2 4.690
 
! ############### n15noe.2034 NOT folded
assi (attr store1 < 2.529 and attr store1 > 2.429 ) 
     ((attr store1 < 6.865 and attr store1 > 6.805 ) and bondedto
      (attr store1 < 112.789  and attr store1 > 111.989 ))
6 0.1 0.1 peak 2034 volume 15.14405 ppm1 6.835 ppm2 2.479
 
! ############### n15noe.2035 NOT folded
assi (attr store1 < 2.163 and attr store1 > 2.063 ) 
     ((attr store1 < 6.865 and attr store1 > 6.805 ) and bondedto
      (attr store1 < 112.795  and attr store1 > 111.995 ))
6 0.1 0.1 peak 2035 volume 4.67134 ppm1 6.835 ppm2 2.113
 
! ############### n15noe.2036 NOT folded
assi (attr store1 < 1.692 and attr store1 > 1.592 ) 
     ((attr store1 < 6.865 and attr store1 > 6.805 ) and bondedto
      (attr store1 < 112.779  and attr store1 > 111.979 ))
6 0.1 0.1 peak 2036 volume 4.29217 ppm1 6.835 ppm2 1.642
 
! ############### n15noe.2037 NOT folded
assi (attr store1 < 4.736 and attr store1 > 4.636 ) 
     ((attr store1 < 7.654 and attr store1 > 7.594 ) and bondedto
      (attr store1 < 112.741  and attr store1 > 111.941 ))
6 0.1 0.1 peak 2037 volume 27.66146 ppm1 7.624 ppm2 4.686
 
! ############### n15noe.2038 NOT folded
assi (attr store1 < 2.823 and attr store1 > 2.723 ) 
     ((attr store1 < 7.652 and attr store1 > 7.592 ) and bondedto
      (attr store1 < 112.725  and attr store1 > 111.925 ))
6 0.1 0.1 peak 2038 volume 8.27266 ppm1 7.622 ppm2 2.773
 
! ############### n15noe.2039 NOT folded
assi (attr store1 < 2.72 and attr store1 > 2.62 ) 
     ((attr store1 < 7.651 and attr store1 > 7.591 ) and bondedto
      (attr store1 < 112.711  and attr store1 > 111.911 ))
6 0.1 0.1 peak 2039 volume 6.07842 ppm1 7.621 ppm2 2.670
 
! ############### n15noe.2040 NOT folded
assi (attr store1 < 2.576 and attr store1 > 2.476 ) 
     ((attr store1 < 7.653 and attr store1 > 7.593 ) and bondedto
      (attr store1 < 112.75  and attr store1 > 111.95 ))
6 0.1 0.1 peak 2040 volume 10.05711 ppm1 7.623 ppm2 2.526
 
! ############### n15noe.2041 NOT folded
assi (attr store1 < 1.203 and attr store1 > 1.103 ) 
     ((attr store1 < 7.652 and attr store1 > 7.592 ) and bondedto
      (attr store1 < 112.746  and attr store1 > 111.946 ))
6 0.1 0.1 peak 2041 volume 8.78482 ppm1 7.622 ppm2 1.153
 
! ############### n15noe.2042 NOT folded
assi (attr store1 < 4.739 and attr store1 > 4.639 ) 
     ((attr store1 < 7.288 and attr store1 > 7.228 ) and bondedto
      (attr store1 < 112.746  and attr store1 > 111.946 ))
6 0.1 0.1 peak 2042 volume 27.06410 ppm1 7.258 ppm2 4.689
 
! ############### n15noe.2043 NOT folded
assi (attr store1 < 2.726 and attr store1 > 2.626 ) 
     ((attr store1 < 7.289 and attr store1 > 7.229 ) and bondedto
      (attr store1 < 112.745  and attr store1 > 111.945 ))
6 0.1 0.1 peak 2043 volume 5.14774 ppm1 7.259 ppm2 2.676
 
! ############### n15noe.2044 NOT folded
assi (attr store1 < 2.576 and attr store1 > 2.476 ) 
     ((attr store1 < 7.288 and attr store1 > 7.228 ) and bondedto
      (attr store1 < 112.742  and attr store1 > 111.942 ))
6 0.1 0.1 peak 2044 volume 8.01388 ppm1 7.258 ppm2 2.526
 
! ############### n15noe.2045 NOT folded
assi (attr store1 < 2.423 and attr store1 > 2.323 ) 
     ((attr store1 < 7.283 and attr store1 > 7.223 ) and bondedto
      (attr store1 < 112.736  and attr store1 > 111.936 ))
6 0.1 0.1 peak 2045 volume 7.04658 ppm1 7.253 ppm2 2.373
 
! ############### n15noe.2046 NOT folded
assi (attr store1 < 2.577 and attr store1 > 2.477 ) 
     ((attr store1 < 7.28 and attr store1 > 7.22 ) and bondedto
      (attr store1 < 112.731  and attr store1 > 111.931 ))
6 0.1 0.1 peak 2046 volume 8.04877 ppm1 7.250 ppm2 2.527
 
! ############### n15noe.2047 NOT folded
assi (attr store1 < 6.902 and attr store1 > 6.802 ) 
     ((attr store1 < 7.59 and attr store1 > 7.53 ) and bondedto
      (attr store1 < 112.609  and attr store1 > 111.809 ))
6 0.1 0.1 peak 2047 volume 52.92862 ppm1 7.560 ppm2 6.852
 
! ############### n15noe.2048 NOT folded
assi (attr store1 < 7.615 and attr store1 > 7.515 ) 
     ((attr store1 < 6.879 and attr store1 > 6.819 ) and bondedto
      (attr store1 < 112.594  and attr store1 > 111.794 ))
6 0.1 0.1 peak 2048 volume 55.17886 ppm1 6.849 ppm2 7.565
 
! ############### n15noe.2049 NOT folded
assi (attr store1 < 7.797 and attr store1 > 7.697 ) 
     ((attr store1 < 6.553 and attr store1 > 6.493 ) and bondedto
      (attr store1 < 112.476  and attr store1 > 111.676 ))
6 0.1 0.1 peak 2049 volume 10.24171 ppm1 6.523 ppm2 7.747
 
! ############### n15noe.2050 NOT folded
assi (attr store1 < 7.12 and attr store1 > 7.02 ) 
     ((attr store1 < 7.57 and attr store1 > 7.51 ) and bondedto
      (attr store1 < 112.404  and attr store1 > 111.604 ))
6 0.1 0.1 peak 2050 volume 67.48702 ppm1 7.540 ppm2 7.070
 
! ############### n15noe.2051 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 7.568 and attr store1 > 7.508 ) and bondedto
      (attr store1 < 112.415  and attr store1 > 111.615 ))
6 0.1 0.1 peak 2051 volume 10.05118 ppm1 7.538 ppm2 4.687
 
! ############### n15noe.2052 NOT folded
assi (attr store1 < 2.592 and attr store1 > 2.492 ) 
     ((attr store1 < 7.563 and attr store1 > 7.503 ) and bondedto
      (attr store1 < 112.414  and attr store1 > 111.614 ))
6 0.1 0.1 peak 2052 volume 3.86211 ppm1 7.533 ppm2 2.542
 
! ############### n15noe.2053 NOT folded
assi (attr store1 < 6.922 and attr store1 > 6.822 ) 
     ((attr store1 < 7.476 and attr store1 > 7.416 ) and bondedto
      (attr store1 < 112.407  and attr store1 > 111.607 ))
6 0.1 0.1 peak 2053 volume 25.23819 ppm1 7.446 ppm2 6.872
 
! ############### n15noe.2054 NOT folded
assi (attr store1 < 7.587 and attr store1 > 7.487 ) 
     ((attr store1 < 7.103 and attr store1 > 7.043 ) and bondedto
      (attr store1 < 112.37  and attr store1 > 111.57 ))
6 0.1 0.1 peak 2054 volume 50.64774 ppm1 7.073 ppm2 7.537
 
! ############### n15noe.2055 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 7.104 and attr store1 > 7.044 ) and bondedto
      (attr store1 < 112.46  and attr store1 > 111.66 ))
6 0.1 0.1 peak 2055 volume 4.60580 ppm1 7.074 ppm2 4.687
 
! ############### n15noe.2056 NOT folded
assi (attr store1 < 7.309 and attr store1 > 7.209 ) 
     ((attr store1 < 7.659 and attr store1 > 7.599 ) and bondedto
      (attr store1 < 112.3  and attr store1 > 111.5 ))
6 0.1 0.1 peak 2056 volume 14.90901 ppm1 7.629 ppm2 7.259
 
! ############### n15noe.2057 NOT folded
assi (attr store1 < 6.879 and attr store1 > 6.779 ) 
     ((attr store1 < 7.524 and attr store1 > 7.464 ) and bondedto
      (attr store1 < 112.326  and attr store1 > 111.526 ))
6 0.1 0.1 peak 2057 volume 84.12778 ppm1 7.494 ppm2 6.829
 
! ############### n15noe.2058 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 7.525 and attr store1 > 7.465 ) and bondedto
      (attr store1 < 112.302  and attr store1 > 111.502 ))
6 0.1 0.1 peak 2058 volume 8.84692 ppm1 7.495 ppm2 4.687
 
! ############### n15noe.2059 NOT folded
assi (attr store1 < 7.552 and attr store1 > 7.452 ) 
     ((attr store1 < 6.867 and attr store1 > 6.807 ) and bondedto
      (attr store1 < 112.296  and attr store1 > 111.496 ))
6 0.1 0.1 peak 2059 volume 76.73602 ppm1 6.837 ppm2 7.502
 
! ############### n15noe.2060 NOT folded
assi (attr store1 < 4.747 and attr store1 > 4.647 ) 
     ((attr store1 < 6.867 and attr store1 > 6.807 ) and bondedto
      (attr store1 < 112.301  and attr store1 > 111.501 ))
6 0.1 0.1 peak 2060 volume 11.45277 ppm1 6.837 ppm2 4.697
 
! ############### n15noe.2061 NOT folded
assi (attr store1 < 4.076 and attr store1 > 3.976 ) 
     ((attr store1 < 8.455 and attr store1 > 8.395 ) and bondedto
      (attr store1 < 112.212  and attr store1 > 111.412 ))
6 0.1 0.1 peak 2061 volume 6.53568 ppm1 8.425 ppm2 4.026
 
! ############### n15noe.2062 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 8.441 and attr store1 > 8.381 ) and bondedto
      (attr store1 < 112.216  and attr store1 > 111.416 ))
6 0.1 0.1 peak 2062 volume 305.82132 ppm1 8.411 ppm2 4.688
 
! ############### n15noe.2063 NOT folded
assi (attr store1 < 4.563 and attr store1 > 4.463 ) 
     ((attr store1 < 8.439 and attr store1 > 8.379 ) and bondedto
      (attr store1 < 112.216  and attr store1 > 111.416 ))
6 0.1 0.1 peak 2063 volume 9.87982 ppm1 8.409 ppm2 4.513
 
! ############### n15noe.2064 NOT folded
assi (attr store1 < 4.079 and attr store1 > 3.979 ) 
     ((attr store1 < 8.422 and attr store1 > 8.362 ) and bondedto
      (attr store1 < 112.183  and attr store1 > 111.383 ))
6 0.1 0.1 peak 2064 volume 6.41357 ppm1 8.392 ppm2 4.029
 
! ############### n15noe.2065 NOT folded
assi (attr store1 < 4.74 and attr store1 > 4.64 ) 
     ((attr store1 < 7.656 and attr store1 > 7.596 ) and bondedto
      (attr store1 < 112.245  and attr store1 > 111.445 ))
6 0.1 0.1 peak 2065 volume 6.55527 ppm1 7.626 ppm2 4.690
 
! ############### n15noe.2066 NOT folded
assi (attr store1 < 7.679 and attr store1 > 7.579 ) 
     ((attr store1 < 7.291 and attr store1 > 7.231 ) and bondedto
      (attr store1 < 112.247  and attr store1 > 111.447 ))
6 0.1 0.1 peak 2066 volume 14.10499 ppm1 7.261 ppm2 7.629
 
! ############### n15noe.2067 NOT folded
assi (attr store1 < 4.739 and attr store1 > 4.639 ) 
     ((attr store1 < 8.127 and attr store1 > 8.067 ) and bondedto
      (attr store1 < 112.149  and attr store1 > 111.349 ))
6 0.1 0.1 peak 2067 volume 9.49860 ppm1 8.097 ppm2 4.689
 
! ############### n15noe.2068 NOT folded
assi (attr store1 < 6.565 and attr store1 > 6.465 ) 
     ((attr store1 < 7.783 and attr store1 > 7.723 ) and bondedto
      (attr store1 < 112.096  and attr store1 > 111.296 ))
6 0.1 0.1 peak 2068 volume 87.52366 ppm1 7.753 ppm2 6.515
 
! ############### n15noe.2069 NOT folded
assi (attr store1 < 2.847 and attr store1 > 2.747 ) 
     ((attr store1 < 7.782 and attr store1 > 7.722 ) and bondedto
      (attr store1 < 112.095  and attr store1 > 111.295 ))
6 0.1 0.1 peak 2069 volume 9.04771 ppm1 7.752 ppm2 2.797
 
! ############### n15noe.2070 NOT folded
assi (attr store1 < 2.173 and attr store1 > 2.073 ) 
     ((attr store1 < 7.785 and attr store1 > 7.725 ) and bondedto
      (attr store1 < 112.088  and attr store1 > 111.288 ))
6 0.1 0.1 peak 2070 volume 4.68147 ppm1 7.755 ppm2 2.123
 
! ############### n15noe.2071 NOT folded
assi (attr store1 < 4.743 and attr store1 > 4.643 ) 
     ((attr store1 < 7.78 and attr store1 > 7.72 ) and bondedto
      (attr store1 < 112.094  and attr store1 > 111.294 ))
6 0.1 0.1 peak 2071 volume 5.36294 ppm1 7.750 ppm2 4.693
 
! ############### n15noe.2072 NOT folded
assi (attr store1 < 2.552 and attr store1 > 2.452 ) 
     ((attr store1 < 7.78 and attr store1 > 7.72 ) and bondedto
      (attr store1 < 112.097  and attr store1 > 111.297 ))
6 0.1 0.1 peak 2072 volume 9.50153 ppm1 7.750 ppm2 2.502
 
! ############### n15noe.2073 NOT folded
assi (attr store1 < 2.263 and attr store1 > 2.163 ) 
     ((attr store1 < 7.78 and attr store1 > 7.72 ) and bondedto
      (attr store1 < 112.105  and attr store1 > 111.305 ))
6 0.1 0.1 peak 2073 volume 4.06624 ppm1 7.750 ppm2 2.213
 
! ############### n15noe.2074 NOT folded
assi (attr store1 < 2.142 and attr store1 > 2.042 ) 
     ((attr store1 < 7.772 and attr store1 > 7.712 ) and bondedto
      (attr store1 < 112.103  and attr store1 > 111.303 ))
6 0.1 0.1 peak 2074 volume 4.02601 ppm1 7.742 ppm2 2.092
 
! ############### n15noe.2075 NOT folded
assi (attr store1 < 0.974 and attr store1 > 0.874 ) 
     ((attr store1 < 6.893 and attr store1 > 6.833 ) and bondedto
      (attr store1 < 112.111  and attr store1 > 111.311 ))
6 0.1 0.1 peak 2075 volume 15.46667 ppm1 6.863 ppm2 0.924
 
! ############### n15noe.2076 NOT folded
assi (attr store1 < 0.901 and attr store1 > 0.801 ) 
     ((attr store1 < 6.893 and attr store1 > 6.833 ) and bondedto
      (attr store1 < 112.124  and attr store1 > 111.324 ))
6 0.1 0.1 peak 2076 volume 4.77110 ppm1 6.863 ppm2 0.851
 
! ############### n15noe.2077 NOT folded
assi (attr store1 < 7.801 and attr store1 > 7.701 ) 
     ((attr store1 < 6.547 and attr store1 > 6.487 ) and bondedto
      (attr store1 < 112.095  and attr store1 > 111.295 ))
6 0.1 0.1 peak 2077 volume 89.87688 ppm1 6.517 ppm2 7.751
 
! ############### n15noe.2078 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 6.54 and attr store1 > 6.48 ) and bondedto
      (attr store1 < 112.115  and attr store1 > 111.315 ))
6 0.1 0.1 peak 2078 volume 5.51323 ppm1 6.510 ppm2 4.688
 
! ############### n15noe.2079 NOT folded
assi (attr store1 < 2.149 and attr store1 > 2.049 ) 
     ((attr store1 < 6.544 and attr store1 > 6.484 ) and bondedto
      (attr store1 < 112.11  and attr store1 > 111.31 ))
6 0.1 0.1 peak 2079 volume 5.03105 ppm1 6.514 ppm2 2.099
 
! ############### n15noe.2080 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 8.554 and attr store1 > 8.494 ) and bondedto
      (attr store1 < 112.058  and attr store1 > 111.258 ))
6 0.1 0.1 peak 2080 volume 24.01121 ppm1 8.524 ppm2 4.687
 
! ############### n15noe.2081 NOT folded
assi (attr store1 < 1.959 and attr store1 > 1.859 ) 
     ((attr store1 < 7.787 and attr store1 > 7.727 ) and bondedto
      (attr store1 < 112.069  and attr store1 > 111.269 ))
6 0.1 0.1 peak 2081 volume 8.48419 ppm1 7.757 ppm2 1.909
 
! ############### n15noe.2082 NOT folded
assi (attr store1 < 1.814 and attr store1 > 1.714 ) 
     ((attr store1 < 7.787 and attr store1 > 7.727 ) and bondedto
      (attr store1 < 112.03  and attr store1 > 111.23 ))
6 0.1 0.1 peak 2082 volume 4.26922 ppm1 7.757 ppm2 1.764
 
! ############### n15noe.2083 NOT folded
assi (attr store1 < 6.911 and attr store1 > 6.811 ) 
     ((attr store1 < 7.468 and attr store1 > 7.408 ) and bondedto
      (attr store1 < 111.992  and attr store1 > 111.192 ))
6 0.1 0.1 peak 2083 volume 642.01562 ppm1 7.438 ppm2 6.861
 
! ############### n15noe.2084 NOT folded
assi (attr store1 < 4.739 and attr store1 > 4.639 ) 
     ((attr store1 < 7.469 and attr store1 > 7.409 ) and bondedto
      (attr store1 < 112.0  and attr store1 > 111.2 ))
6 0.1 0.1 peak 2084 volume 20.51137 ppm1 7.439 ppm2 4.689
 
! ############### n15noe.2085 NOT folded
assi (attr store1 < 2.457 and attr store1 > 2.357 ) 
     ((attr store1 < 7.469 and attr store1 > 7.409 ) and bondedto
      (attr store1 < 112.007  and attr store1 > 111.207 ))
6 0.1 0.1 peak 2085 volume 12.77822 ppm1 7.439 ppm2 2.407
 
! ############### n15noe.2086 NOT folded
assi (attr store1 < 2.305 and attr store1 > 2.205 ) 
     ((attr store1 < 7.469 and attr store1 > 7.409 ) and bondedto
      (attr store1 < 111.993  and attr store1 > 111.193 ))
6 0.1 0.1 peak 2086 volume 7.48640 ppm1 7.439 ppm2 2.255
 
! ############### n15noe.2087 NOT folded
assi (attr store1 < 4.217 and attr store1 > 4.117 ) 
     ((attr store1 < 7.467 and attr store1 > 7.407 ) and bondedto
      (attr store1 < 112.02  and attr store1 > 111.22 ))
6 0.1 0.1 peak 2087 volume 3.88338 ppm1 7.437 ppm2 4.167
 
! ############### n15noe.2088 NOT folded
assi (attr store1 < 4.073 and attr store1 > 3.973 ) 
     ((attr store1 < 7.466 and attr store1 > 7.406 ) and bondedto
      (attr store1 < 112.016  and attr store1 > 111.216 ))
6 0.1 0.1 peak 2088 volume 5.12655 ppm1 7.436 ppm2 4.023
 
! ############### n15noe.2089 NOT folded
assi (attr store1 < 2.672 and attr store1 > 2.572 ) 
     ((attr store1 < 7.467 and attr store1 > 7.407 ) and bondedto
      (attr store1 < 111.989  and attr store1 > 111.189 ))
6 0.1 0.1 peak 2089 volume 27.00314 ppm1 7.437 ppm2 2.622
 
! ############### n15noe.2090 NOT folded
assi (attr store1 < 1.005 and attr store1 > 0.905 ) 
     ((attr store1 < 7.468 and attr store1 > 7.408 ) and bondedto
      (attr store1 < 111.996  and attr store1 > 111.196 ))
6 0.1 0.1 peak 2090 volume 23.30181 ppm1 7.438 ppm2 0.955
 
! ############### n15noe.2091 NOT folded
assi (attr store1 < 7.64 and attr store1 > 7.54 ) 
     ((attr store1 < 6.889 and attr store1 > 6.829 ) and bondedto
      (attr store1 < 112.003  and attr store1 > 111.203 ))
6 0.1 0.1 peak 2091 volume 11.08630 ppm1 6.859 ppm2 7.590
 
! ############### n15noe.2092 NOT folded
assi (attr store1 < 4.739 and attr store1 > 4.639 ) 
     ((attr store1 < 6.89 and attr store1 > 6.83 ) and bondedto
      (attr store1 < 111.991  and attr store1 > 111.191 ))
6 0.1 0.1 peak 2092 volume 18.85928 ppm1 6.860 ppm2 4.689
 
! ############### n15noe.2093 NOT folded
assi (attr store1 < 2.313 and attr store1 > 2.213 ) 
     ((attr store1 < 6.888 and attr store1 > 6.828 ) and bondedto
      (attr store1 < 111.99  and attr store1 > 111.19 ))
6 0.1 0.1 peak 2093 volume 6.65606 ppm1 6.858 ppm2 2.263
 
! ############### n15noe.2094 NOT folded
assi (attr store1 < 6.744 and attr store1 > 6.644 ) 
     ((attr store1 < 6.882 and attr store1 > 6.822 ) and bondedto
      (attr store1 < 112.002  and attr store1 > 111.202 ))
6 0.1 0.1 peak 2094 volume 10.46607 ppm1 6.852 ppm2 6.694
 
! ############### n15noe.2095 NOT folded
assi (attr store1 < 4.124 and attr store1 > 4.024 ) 
     ((attr store1 < 6.883 and attr store1 > 6.823 ) and bondedto
      (attr store1 < 112.006  and attr store1 > 111.206 ))
6 0.1 0.1 peak 2095 volume 3.98055 ppm1 6.853 ppm2 4.074
 
! ############### n15noe.2096 NOT folded
assi (attr store1 < 6.911 and attr store1 > 6.811 ) 
     ((attr store1 < 6.823 and attr store1 > 6.763 ) and bondedto
      (attr store1 < 111.999  and attr store1 > 111.199 ))
6 0.1 0.1 peak 2096 volume 15.61553 ppm1 6.793 ppm2 6.861
 
! ############### n15noe.2097 NOT folded
assi (attr store1 < 6.905 and attr store1 > 6.805 ) 
     ((attr store1 < 6.795 and attr store1 > 6.735 ) and bondedto
      (attr store1 < 111.992  and attr store1 > 111.192 ))
6 0.1 0.1 peak 2097 volume 7.54958 ppm1 6.765 ppm2 6.855
 
! ############### n15noe.2098 NOT folded
assi (attr store1 < 2.85 and attr store1 > 2.75 ) 
     ((attr store1 < 6.547 and attr store1 > 6.487 ) and bondedto
      (attr store1 < 112.065  and attr store1 > 111.265 ))
6 0.1 0.1 peak 2098 volume 10.00183 ppm1 6.517 ppm2 2.800
 
! ############### n15noe.2099 NOT folded
assi (attr store1 < 2.552 and attr store1 > 2.452 ) 
     ((attr store1 < 6.547 and attr store1 > 6.487 ) and bondedto
      (attr store1 < 112.069  and attr store1 > 111.269 ))
6 0.1 0.1 peak 2099 volume 7.58368 ppm1 6.517 ppm2 2.502
 
! ############### n15noe.2100 NOT folded
assi (attr store1 < 1.959 and attr store1 > 1.859 ) 
     ((attr store1 < 6.544 and attr store1 > 6.484 ) and bondedto
      (attr store1 < 112.055  and attr store1 > 111.255 ))
6 0.1 0.1 peak 2100 volume 10.28494 ppm1 6.514 ppm2 1.909
 
! ############### n15noe.2101 NOT folded
assi (attr store1 < 7.087 and attr store1 > 6.987 ) 
     ((attr store1 < 7.469 and attr store1 > 7.409 ) and bondedto
      (attr store1 < 111.965  and attr store1 > 111.165 ))
6 0.1 0.1 peak 2101 volume 12.19328 ppm1 7.439 ppm2 7.037
 
! ############### n15noe.2102 NOT folded
assi (attr store1 < 4.398 and attr store1 > 4.298 ) 
     ((attr store1 < 7.47 and attr store1 > 7.41 ) and bondedto
      (attr store1 < 111.965  and attr store1 > 111.165 ))
6 0.1 0.1 peak 2102 volume 10.69126 ppm1 7.440 ppm2 4.348
 
! ############### n15noe.2103 NOT folded
assi (attr store1 < 4.095 and attr store1 > 3.995 ) 
     ((attr store1 < 7.468 and attr store1 > 7.408 ) and bondedto
      (attr store1 < 111.938  and attr store1 > 111.138 ))
6 0.1 0.1 peak 2103 volume 5.14698 ppm1 7.438 ppm2 4.045
 
! ############### n15noe.2104 NOT folded
assi (attr store1 < 7.009 and attr store1 > 6.909 ) 
     ((attr store1 < 7.467 and attr store1 > 7.407 ) and bondedto
      (attr store1 < 111.964  and attr store1 > 111.164 ))
6 0.1 0.1 peak 2104 volume 10.63808 ppm1 7.437 ppm2 6.959
 
! ############### n15noe.2105 NOT folded
assi (attr store1 < 6.965 and attr store1 > 6.865 ) 
     ((attr store1 < 7.444 and attr store1 > 7.384 ) and bondedto
      (attr store1 < 111.979  and attr store1 > 111.179 ))
6 0.1 0.1 peak 2105 volume 11.51140 ppm1 7.414 ppm2 6.915
 
! ############### n15noe.2106 NOT folded
assi (attr store1 < 6.848 and attr store1 > 6.748 ) 
     ((attr store1 < 7.365 and attr store1 > 7.305 ) and bondedto
      (attr store1 < 111.891  and attr store1 > 111.091 ))
6 0.1 0.1 peak 2106 volume 14.61407 ppm1 7.335 ppm2 6.798
 
! ############### n15noe.2107 NOT folded
assi (attr store1 < 1.003 and attr store1 > 0.903 ) 
     ((attr store1 < 6.892 and attr store1 > 6.832 ) and bondedto
      (attr store1 < 111.97  and attr store1 > 111.17 ))
6 0.1 0.1 peak 2107 volume 19.62184 ppm1 6.862 ppm2 0.953
 
! ############### n15noe.2108 NOT folded
assi (attr store1 < 0.935 and attr store1 > 0.835 ) 
     ((attr store1 < 6.892 and attr store1 > 6.832 ) and bondedto
      (attr store1 < 111.961  and attr store1 > 111.161 ))
6 0.1 0.1 peak 2108 volume 10.74979 ppm1 6.862 ppm2 0.885
 
! ############### n15noe.2109 NOT folded
assi (attr store1 < 7.489 and attr store1 > 7.389 ) 
     ((attr store1 < 6.888 and attr store1 > 6.828 ) and bondedto
      (attr store1 < 111.98  and attr store1 > 111.18 ))
6 0.1 0.1 peak 2109 volume 607.58771 ppm1 6.858 ppm2 7.439
 
! ############### n15noe.2110 NOT folded
assi (attr store1 < 7.058 and attr store1 > 6.958 ) 
     ((attr store1 < 6.889 and attr store1 > 6.829 ) and bondedto
      (attr store1 < 111.958  and attr store1 > 111.158 ))
6 0.1 0.1 peak 2110 volume 13.01894 ppm1 6.859 ppm2 7.008
 
! ############### n15noe.2111 NOT folded
assi (attr store1 < 6.78 and attr store1 > 6.68 ) 
     ((attr store1 < 6.89 and attr store1 > 6.83 ) and bondedto
      (attr store1 < 111.973  and attr store1 > 111.173 ))
6 0.1 0.1 peak 2111 volume 9.87334 ppm1 6.860 ppm2 6.730
 
! ############### n15noe.2112 NOT folded
assi (attr store1 < 4.381 and attr store1 > 4.281 ) 
     ((attr store1 < 6.889 and attr store1 > 6.829 ) and bondedto
      (attr store1 < 111.969  and attr store1 > 111.169 ))
6 0.1 0.1 peak 2112 volume 7.27971 ppm1 6.859 ppm2 4.331
 
! ############### n15noe.2113 NOT folded
assi (attr store1 < 4.095 and attr store1 > 3.995 ) 
     ((attr store1 < 6.889 and attr store1 > 6.829 ) and bondedto
      (attr store1 < 111.941  and attr store1 > 111.141 ))
6 0.1 0.1 peak 2113 volume 4.19006 ppm1 6.859 ppm2 4.045
 
! ############### n15noe.2114 NOT folded
assi (attr store1 < 2.677 and attr store1 > 2.577 ) 
     ((attr store1 < 6.885 and attr store1 > 6.825 ) and bondedto
      (attr store1 < 111.954  and attr store1 > 111.154 ))
6 0.1 0.1 peak 2114 volume 14.71509 ppm1 6.855 ppm2 2.627
 
! ############### n15noe.2115 NOT folded
assi (attr store1 < 2.463 and attr store1 > 2.363 ) 
     ((attr store1 < 6.885 and attr store1 > 6.825 ) and bondedto
      (attr store1 < 111.955  and attr store1 > 111.155 ))
6 0.1 0.1 peak 2115 volume 9.36340 ppm1 6.855 ppm2 2.413
 
! ############### n15noe.2116 NOT folded
assi (attr store1 < 7.388 and attr store1 > 7.288 ) 
     ((attr store1 < 6.831 and attr store1 > 6.771 ) and bondedto
      (attr store1 < 111.934  and attr store1 > 111.134 ))
6 0.1 0.1 peak 2116 volume 14.79191 ppm1 6.801 ppm2 7.338
 
! ############### n15noe.2117 NOT folded
assi (attr store1 < 6.576 and attr store1 > 6.476 ) 
     ((attr store1 < 7.785 and attr store1 > 7.725 ) and bondedto
      (attr store1 < 111.626  and attr store1 > 110.826 ))
6 0.1 0.1 peak 2117 volume 19.32340 ppm1 7.755 ppm2 6.526
 
! ############### n15noe.2118 NOT folded
assi (attr store1 < 6.577 and attr store1 > 6.477 ) 
     ((attr store1 < 7.775 and attr store1 > 7.715 ) and bondedto
      (attr store1 < 111.659  and attr store1 > 110.859 ))
6 0.1 0.1 peak 2118 volume 16.95284 ppm1 7.745 ppm2 6.527
 
! ############### n15noe.2119 NOT folded
assi (attr store1 < 7.803 and attr store1 > 7.703 ) 
     ((attr store1 < 6.553 and attr store1 > 6.493 ) and bondedto
      (attr store1 < 111.605  and attr store1 > 110.805 ))
6 0.1 0.1 peak 2119 volume 19.90478 ppm1 6.523 ppm2 7.753
 
! ############### n15noe.2120 NOT folded
assi (attr store1 < 2.665 and attr store1 > 2.565 ) 
     ((attr store1 < 7.47 and attr store1 > 7.41 ) and bondedto
      (attr store1 < 111.552  and attr store1 > 110.752 ))
6 0.1 0.1 peak 2120 volume 4.37092 ppm1 7.440 ppm2 2.615
 
! ############### n15noe.2121 NOT folded
assi (attr store1 < 1.003 and attr store1 > 0.903 ) 
     ((attr store1 < 6.893 and attr store1 > 6.833 ) and bondedto
      (attr store1 < 111.54  and attr store1 > 110.74 ))
6 0.1 0.1 peak 2121 volume 8.07291 ppm1 6.863 ppm2 0.953
 
! ############### n15noe.2122 NOT folded
assi (attr store1 < 6.908 and attr store1 > 6.808 ) 
     ((attr store1 < 7.472 and attr store1 > 7.412 ) and bondedto
      (attr store1 < 111.456  and attr store1 > 110.656 ))
6 0.1 0.1 peak 2122 volume 48.88561 ppm1 7.442 ppm2 6.858
 
! ############### n15noe.2123 NOT folded
assi (attr store1 < 7.485 and attr store1 > 7.385 ) 
     ((attr store1 < 6.894 and attr store1 > 6.834 ) and bondedto
      (attr store1 < 111.46  and attr store1 > 110.66 ))
6 0.1 0.1 peak 2123 volume 52.25122 ppm1 6.864 ppm2 7.435
 
! ############### n15noe.2124 NOT folded
assi (attr store1 < 3.983 and attr store1 > 3.883 ) 
     ((attr store1 < 7.463 and attr store1 > 7.403 ) and bondedto
      (attr store1 < 111.086  and attr store1 > 110.286 ))
6 0.1 0.1 peak 2124 volume 5.54016 ppm1 7.433 ppm2 3.933
 
! ############### n15noe.2125 NOT folded
assi (attr store1 < 4.503 and attr store1 > 4.403 ) 
     ((attr store1 < 7.459 and attr store1 > 7.399 ) and bondedto
      (attr store1 < 111.018  and attr store1 > 110.218 ))
6 0.1 0.1 peak 2125 volume 13.46905 ppm1 7.429 ppm2 4.453
 
! ############### n15noe.2126 NOT folded
assi (attr store1 < 4.434 and attr store1 > 4.334 ) 
     ((attr store1 < 7.459 and attr store1 > 7.399 ) and bondedto
      (attr store1 < 111.052  and attr store1 > 110.252 ))
6 0.1 0.1 peak 2126 volume 28.77532 ppm1 7.429 ppm2 4.384
 
! ############### n15noe.2127 NOT folded
assi (attr store1 < 3.52 and attr store1 > 3.42 ) 
     ((attr store1 < 7.458 and attr store1 > 7.398 ) and bondedto
      (attr store1 < 111.084  and attr store1 > 110.284 ))
6 0.1 0.1 peak 2127 volume 9.98388 ppm1 7.428 ppm2 3.470
 
! ############### n15noe.2128 NOT folded
assi (attr store1 < 2.514 and attr store1 > 2.414 ) 
     ((attr store1 < 7.458 and attr store1 > 7.398 ) and bondedto
      (attr store1 < 111.033  and attr store1 > 110.233 ))
6 0.1 0.1 peak 2128 volume 24.24656 ppm1 7.428 ppm2 2.464
 
! ############### n15noe.2129 NOT folded
assi (attr store1 < 2.109 and attr store1 > 2.009 ) 
     ((attr store1 < 7.459 and attr store1 > 7.399 ) and bondedto
      (attr store1 < 111.065  and attr store1 > 110.265 ))
6 0.1 0.1 peak 2129 volume 5.95131 ppm1 7.429 ppm2 2.059
 
! ############### n15noe.2130 NOT folded
assi (attr store1 < 1.974 and attr store1 > 1.874 ) 
     ((attr store1 < 7.46 and attr store1 > 7.4 ) and bondedto
      (attr store1 < 111.06  and attr store1 > 110.26 ))
6 0.1 0.1 peak 2130 volume 7.77648 ppm1 7.430 ppm2 1.924
 
! ############### n15noe.2131 NOT folded
assi (attr store1 < 1.88 and attr store1 > 1.78 ) 
     ((attr store1 < 7.459 and attr store1 > 7.399 ) and bondedto
      (attr store1 < 111.07  and attr store1 > 110.27 ))
6 0.1 0.1 peak 2131 volume 12.91583 ppm1 7.429 ppm2 1.830
 
! ############### n15noe.2132 NOT folded
assi (attr store1 < 0.878 and attr store1 > 0.778 ) 
     ((attr store1 < 7.46 and attr store1 > 7.4 ) and bondedto
      (attr store1 < 111.072  and attr store1 > 110.272 ))
6 0.1 0.1 peak 2132 volume 5.90963 ppm1 7.430 ppm2 0.828
 
! ############### n15noe.2133 NOT folded
assi (attr store1 < 7.864 and attr store1 > 7.764 ) 
     ((attr store1 < 7.455 and attr store1 > 7.395 ) and bondedto
      (attr store1 < 111.066  and attr store1 > 110.266 ))
6 0.1 0.1 peak 2133 volume 43.35466 ppm1 7.425 ppm2 7.814
 
! ############### n15noe.2134 NOT folded
assi (attr store1 < 3.954 and attr store1 > 3.854 ) 
     ((attr store1 < 7.456 and attr store1 > 7.396 ) and bondedto
      (attr store1 < 111.083  and attr store1 > 110.283 ))
6 0.1 0.1 peak 2134 volume 5.56094 ppm1 7.426 ppm2 3.904
 
! ############### n15noe.2135 NOT folded
assi (attr store1 < 3.824 and attr store1 > 3.724 ) 
     ((attr store1 < 7.455 and attr store1 > 7.395 ) and bondedto
      (attr store1 < 111.042  and attr store1 > 110.242 ))
6 0.1 0.1 peak 2135 volume 5.68679 ppm1 7.425 ppm2 3.774
 
! ############### n15noe.2136 NOT folded
assi (attr store1 < 2.008 and attr store1 > 1.908 ) 
     ((attr store1 < 7.454 and attr store1 > 7.394 ) and bondedto
      (attr store1 < 111.054  and attr store1 > 110.254 ))
6 0.1 0.1 peak 2136 volume 9.24026 ppm1 7.424 ppm2 1.958
 
! ############### n15noe.2137 NOT folded
assi (attr store1 < 1.113 and attr store1 > 1.013 ) 
     ((attr store1 < 7.455 and attr store1 > 7.395 ) and bondedto
      (attr store1 < 111.064  and attr store1 > 110.264 ))
6 0.1 0.1 peak 2137 volume 59.99694 ppm1 7.425 ppm2 1.063
 
! ############### n15noe.2138 NOT folded
assi (attr store1 < 6.696 and attr store1 > 6.596 ) 
     ((attr store1 < 7.129 and attr store1 > 7.069 ) and bondedto
      (attr store1 < 111.09  and attr store1 > 110.29 ))
6 0.1 0.1 peak 2138 volume 57.28337 ppm1 7.099 ppm2 6.646
 
! ############### n15noe.2139 NOT folded
assi (attr store1 < 0.846 and attr store1 > 0.746 ) 
     ((attr store1 < 7.024 and attr store1 > 6.964 ) and bondedto
      (attr store1 < 111.065  and attr store1 > 110.265 ))
6 0.1 0.1 peak 2139 volume 6.29120 ppm1 6.994 ppm2 0.796
 
! ############### n15noe.2140 NOT folded
assi (attr store1 < 6.675 and attr store1 > 6.575 ) 
     ((attr store1 < 7.021 and attr store1 > 6.961 ) and bondedto
      (attr store1 < 111.075  and attr store1 > 110.275 ))
6 0.1 0.1 peak 2140 volume 412.21524 ppm1 6.991 ppm2 6.625
 
! ############### n15noe.2141 NOT folded
assi (attr store1 < 2.268 and attr store1 > 2.168 ) 
     ((attr store1 < 7.021 and attr store1 > 6.961 ) and bondedto
      (attr store1 < 111.066  and attr store1 > 110.266 ))
6 0.1 0.1 peak 2141 volume 14.46286 ppm1 6.991 ppm2 2.218
 
! ############### n15noe.2142 NOT folded
assi (attr store1 < 1.924 and attr store1 > 1.824 ) 
     ((attr store1 < 7.021 and attr store1 > 6.961 ) and bondedto
      (attr store1 < 111.085  and attr store1 > 110.285 ))
6 0.1 0.1 peak 2142 volume 17.67630 ppm1 6.991 ppm2 1.874
 
! ############### n15noe.2143 NOT folded
assi (attr store1 < 7.145 and attr store1 > 7.045 ) 
     ((attr store1 < 6.672 and attr store1 > 6.612 ) and bondedto
      (attr store1 < 111.109  and attr store1 > 110.309 ))
6 0.1 0.1 peak 2143 volume 53.71760 ppm1 6.642 ppm2 7.095
 
! ############### n15noe.2144 NOT folded
assi (attr store1 < 2.014 and attr store1 > 1.914 ) 
     ((attr store1 < 6.668 and attr store1 > 6.608 ) and bondedto
      (attr store1 < 111.059  and attr store1 > 110.259 ))
6 0.1 0.1 peak 2144 volume 5.44978 ppm1 6.638 ppm2 1.964
 
! ############### n15noe.2145 NOT folded
assi (attr store1 < 7.043 and attr store1 > 6.943 ) 
     ((attr store1 < 6.656 and attr store1 > 6.596 ) and bondedto
      (attr store1 < 111.075  and attr store1 > 110.275 ))
6 0.1 0.1 peak 2145 volume 409.17328 ppm1 6.626 ppm2 6.993
 
! ############### n15noe.2146 NOT folded
assi (attr store1 < 2.266 and attr store1 > 2.166 ) 
     ((attr store1 < 6.658 and attr store1 > 6.598 ) and bondedto
      (attr store1 < 111.076  and attr store1 > 110.276 ))
6 0.1 0.1 peak 2146 volume 12.00978 ppm1 6.628 ppm2 2.216
 
! ############### n15noe.2147 NOT folded
assi (attr store1 < 2.018 and attr store1 > 1.918 ) 
     ((attr store1 < 6.658 and attr store1 > 6.598 ) and bondedto
      (attr store1 < 111.042  and attr store1 > 110.242 ))
6 0.1 0.1 peak 2147 volume 4.86109 ppm1 6.628 ppm2 1.968
 
! ############### n15noe.2148 NOT folded
assi (attr store1 < 0.845 and attr store1 > 0.745 ) 
     ((attr store1 < 6.658 and attr store1 > 6.598 ) and bondedto
      (attr store1 < 111.085  and attr store1 > 110.285 ))
6 0.1 0.1 peak 2148 volume 6.14867 ppm1 6.628 ppm2 0.795
 
! ############### n15noe.2149 NOT folded
assi (attr store1 < 4.737 and attr store1 > 4.637 ) 
     ((attr store1 < 6.654 and attr store1 > 6.594 ) and bondedto
      (attr store1 < 111.068  and attr store1 > 110.268 ))
6 0.1 0.1 peak 2149 volume 9.24156 ppm1 6.624 ppm2 4.687
 
! ############### n15noe.2150 NOT folded
assi (attr store1 < 1.926 and attr store1 > 1.826 ) 
     ((attr store1 < 6.654 and attr store1 > 6.594 ) and bondedto
      (attr store1 < 111.069  and attr store1 > 110.269 ))
6 0.1 0.1 peak 2150 volume 17.28775 ppm1 6.624 ppm2 1.876
 
! ############### n15noe.2151 folded
assi (attr store1 < 4.734 and attr store1 > 4.634 )
     ((attr store1 < 7.271 and attr store1 > 7.211 ) and bondedto
      (attr store1 < 86.2871357939  and attr store1 > 85.4871357939 ))
6 0.1 0.1 peak 2151 volume 29.75611 ppm1 7.241 ppm2 4.684
 
! ############### n15noe.2152 folded
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 7.355 and attr store1 > 7.295 ) and bondedto
      (attr store1 < 86.2191357939  and attr store1 > 85.4191357939 ))
6 0.1 0.1 peak 2152 volume 66.37093 ppm1 7.325 ppm2 4.688
 
! ############### n15noe.2153 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 8.399 and attr store1 > 8.339 ) and bondedto
      (attr store1 < 110.651  and attr store1 > 109.851 ))
6 0.1 0.1 peak 2153 volume 26.66615 ppm1 8.369 ppm2 4.688
 
! ############### n15noe.2154 NOT folded
assi (attr store1 < 2.957 and attr store1 > 2.857 ) 
     ((attr store1 < 7.205 and attr store1 > 7.145 ) and bondedto
      (attr store1 < 110.583  and attr store1 > 109.783 ))
6 0.1 0.1 peak 2154 volume 5.43477 ppm1 7.175 ppm2 2.907
 
! ############### n15noe.2155 NOT folded
assi (attr store1 < 3.074 and attr store1 > 2.974 ) 
     ((attr store1 < 7.199 and attr store1 > 7.139 ) and bondedto
      (attr store1 < 110.558  and attr store1 > 109.758 ))
6 0.1 0.1 peak 2155 volume 5.26809 ppm1 7.169 ppm2 3.024
 
! ############### n15noe.2156 NOT folded
assi (attr store1 < 2.614 and attr store1 > 2.514 ) 
     ((attr store1 < 7.201 and attr store1 > 7.141 ) and bondedto
      (attr store1 < 110.573  and attr store1 > 109.773 ))
6 0.1 0.1 peak 2156 volume 5.54851 ppm1 7.171 ppm2 2.564
 
! ############### n15noe.2157 NOT folded
assi (attr store1 < 1.767 and attr store1 > 1.667 ) 
     ((attr store1 < 7.199 and attr store1 > 7.139 ) and bondedto
      (attr store1 < 110.591  and attr store1 > 109.791 ))
6 0.1 0.1 peak 2157 volume 5.54213 ppm1 7.169 ppm2 1.717
 
! ############### n15noe.2158 NOT folded
assi (attr store1 < 1.588 and attr store1 > 1.488 ) 
     ((attr store1 < 7.2 and attr store1 > 7.14 ) and bondedto
      (attr store1 < 110.574  and attr store1 > 109.774 ))
6 0.1 0.1 peak 2158 volume 5.47168 ppm1 7.170 ppm2 1.538
 
! ############### n15noe.2159 NOT folded
assi (attr store1 < 8.432 and attr store1 > 8.332 ) 
     ((attr store1 < 7.195 and attr store1 > 7.135 ) and bondedto
      (attr store1 < 110.575  and attr store1 > 109.775 ))
6 0.1 0.1 peak 2159 volume 8.49958 ppm1 7.165 ppm2 8.382
 
! ############### n15noe.2160 NOT folded
assi (attr store1 < 7.056 and attr store1 > 6.956 ) 
     ((attr store1 < 7.198 and attr store1 > 7.138 ) and bondedto
      (attr store1 < 110.564  and attr store1 > 109.764 ))
6 0.1 0.1 peak 2160 volume 151.52559 ppm1 7.168 ppm2 7.006
 
! ############### n15noe.2161 NOT folded
assi (attr store1 < 4.786 and attr store1 > 4.686 ) 
     ((attr store1 < 7.197 and attr store1 > 7.137 ) and bondedto
      (attr store1 < 110.55  and attr store1 > 109.75 ))
6 0.1 0.1 peak 2161 volume 20.14349 ppm1 7.167 ppm2 4.736
 
! ############### n15noe.2162 NOT folded
assi (attr store1 < 2.963 and attr store1 > 2.863 ) 
     ((attr store1 < 7.198 and attr store1 > 7.138 ) and bondedto
      (attr store1 < 110.602  and attr store1 > 109.802 ))
6 0.1 0.1 peak 2162 volume 5.38291 ppm1 7.168 ppm2 2.913
 
! ############### n15noe.2163 NOT folded
assi (attr store1 < 1.168 and attr store1 > 1.068 ) 
     ((attr store1 < 7.196 and attr store1 > 7.136 ) and bondedto
      (attr store1 < 110.587  and attr store1 > 109.787 ))
6 0.1 0.1 peak 2163 volume 8.86142 ppm1 7.166 ppm2 1.118
 
! ############### n15noe.2164 NOT folded
assi (attr store1 < 2.621 and attr store1 > 2.521 ) 
     ((attr store1 < 7.193 and attr store1 > 7.133 ) and bondedto
      (attr store1 < 110.56  and attr store1 > 109.76 ))
6 0.1 0.1 peak 2164 volume 5.03499 ppm1 7.163 ppm2 2.571
 
! ############### n15noe.2165 NOT folded
assi (attr store1 < 1.883 and attr store1 > 1.783 ) 
     ((attr store1 < 7.191 and attr store1 > 7.131 ) and bondedto
      (attr store1 < 110.582  and attr store1 > 109.782 ))
6 0.1 0.1 peak 2165 volume 6.93831 ppm1 7.161 ppm2 1.833
 
! ############### n15noe.2166 NOT folded
assi (attr store1 < 1.657 and attr store1 > 1.557 ) 
     ((attr store1 < 7.193 and attr store1 > 7.133 ) and bondedto
      (attr store1 < 110.591  and attr store1 > 109.791 ))
6 0.1 0.1 peak 2166 volume 5.60394 ppm1 7.163 ppm2 1.607
 
! ############### n15noe.2167 NOT folded
assi (attr store1 < 1.771 and attr store1 > 1.671 ) 
     ((attr store1 < 7.041 and attr store1 > 6.981 ) and bondedto
      (attr store1 < 110.575  and attr store1 > 109.775 ))
6 0.1 0.1 peak 2167 volume 5.22182 ppm1 7.011 ppm2 1.721
 
! ############### n15noe.2168 NOT folded
assi (attr store1 < 8.436 and attr store1 > 8.336 ) 
     ((attr store1 < 7.037 and attr store1 > 6.977 ) and bondedto
      (attr store1 < 110.549  and attr store1 > 109.749 ))
6 0.1 0.1 peak 2168 volume 7.35780 ppm1 7.007 ppm2 8.386
 
! ############### n15noe.2169 NOT folded
assi (attr store1 < 7.216 and attr store1 > 7.116 ) 
     ((attr store1 < 7.035 and attr store1 > 6.975 ) and bondedto
      (attr store1 < 110.551  and attr store1 > 109.751 ))
6 0.1 0.1 peak 2169 volume 144.82715 ppm1 7.005 ppm2 7.166
 
! ############### n15noe.2170 NOT folded
assi (attr store1 < 4.785 and attr store1 > 4.685 ) 
     ((attr store1 < 7.034 and attr store1 > 6.974 ) and bondedto
      (attr store1 < 110.561  and attr store1 > 109.761 ))
6 0.1 0.1 peak 2170 volume 16.64532 ppm1 7.004 ppm2 4.735
 
! ############### n15noe.2171 NOT folded
assi (attr store1 < 3.071 and attr store1 > 2.971 ) 
     ((attr store1 < 7.034 and attr store1 > 6.974 ) and bondedto
      (attr store1 < 110.581  and attr store1 > 109.781 ))
6 0.1 0.1 peak 2171 volume 4.34191 ppm1 7.004 ppm2 3.021
 
! ############### n15noe.2172 NOT folded
assi (attr store1 < 2.25 and attr store1 > 2.15 ) 
     ((attr store1 < 7.037 and attr store1 > 6.977 ) and bondedto
      (attr store1 < 110.585  and attr store1 > 109.785 ))
6 0.1 0.1 peak 2172 volume 5.22130 ppm1 7.007 ppm2 2.200
 
! ############### n15noe.2173 NOT folded
assi (attr store1 < 1.66 and attr store1 > 1.56 ) 
     ((attr store1 < 7.035 and attr store1 > 6.975 ) and bondedto
      (attr store1 < 110.556  and attr store1 > 109.756 ))
6 0.1 0.1 peak 2173 volume 5.69429 ppm1 7.005 ppm2 1.610
 
! ############### n15noe.2174 NOT folded
assi (attr store1 < 1.288 and attr store1 > 1.188 ) 
     ((attr store1 < 7.036 and attr store1 > 6.976 ) and bondedto
      (attr store1 < 110.563  and attr store1 > 109.763 ))
6 0.1 0.1 peak 2174 volume 24.95200 ppm1 7.006 ppm2 1.238
 
! ############### n15noe.2175 NOT folded
assi (attr store1 < 1.168 and attr store1 > 1.068 ) 
     ((attr store1 < 7.037 and attr store1 > 6.977 ) and bondedto
      (attr store1 < 110.554  and attr store1 > 109.754 ))
6 0.1 0.1 peak 2175 volume 9.25099 ppm1 7.007 ppm2 1.118
 
! ############### n15noe.2176 NOT folded
assi (attr store1 < 2.611 and attr store1 > 2.511 ) 
     ((attr store1 < 7.032 and attr store1 > 6.972 ) and bondedto
      (attr store1 < 110.54  and attr store1 > 109.74 ))
6 0.1 0.1 peak 2176 volume 4.57781 ppm1 7.002 ppm2 2.561
 
! ############### n15noe.2177 NOT folded
assi (attr store1 < 1.892 and attr store1 > 1.792 ) 
     ((attr store1 < 7.031 and attr store1 > 6.971 ) and bondedto
      (attr store1 < 110.562  and attr store1 > 109.762 ))
6 0.1 0.1 peak 2177 volume 8.39713 ppm1 7.001 ppm2 1.842
 
! ############### n15noe.2178 NOT folded
assi (attr store1 < 6.682 and attr store1 > 6.582 ) 
     ((attr store1 < 7.026 and attr store1 > 6.966 ) and bondedto
      (attr store1 < 110.563  and attr store1 > 109.763 ))
6 0.1 0.1 peak 2178 volume 50.38955 ppm1 6.996 ppm2 6.632
 
! ############### n15noe.2179 NOT folded
assi (attr store1 < 2.282 and attr store1 > 2.182 ) 
     ((attr store1 < 7.024 and attr store1 > 6.964 ) and bondedto
      (attr store1 < 110.566  and attr store1 > 109.766 ))
6 0.1 0.1 peak 2179 volume 4.54170 ppm1 6.994 ppm2 2.232
 
! ############### n15noe.2180 NOT folded
assi (attr store1 < 1.012 and attr store1 > 0.912 ) 
     ((attr store1 < 7.027 and attr store1 > 6.967 ) and bondedto
      (attr store1 < 110.583  and attr store1 > 109.783 ))
6 0.1 0.1 peak 2180 volume 4.27700 ppm1 6.997 ppm2 0.962
 
! ############### n15noe.2181 NOT folded
assi (attr store1 < 1.087 and attr store1 > 0.987 ) 
     ((attr store1 < 7.471 and attr store1 > 7.411 ) and bondedto
      (attr store1 < 110.494  and attr store1 > 109.694 ))
6 0.1 0.1 peak 2181 volume 7.51319 ppm1 7.441 ppm2 1.037
 
! ############### n15noe.2182 NOT folded
assi (attr store1 < 2.187 and attr store1 > 2.087 ) 
     ((attr store1 < 7.201 and attr store1 > 7.141 ) and bondedto
      (attr store1 < 110.487  and attr store1 > 109.687 ))
6 0.1 0.1 peak 2182 volume 4.34629 ppm1 7.171 ppm2 2.137
 
! ############### n15noe.2183 NOT folded
assi (attr store1 < 1.368 and attr store1 > 1.268 ) 
     ((attr store1 < 7.199 and attr store1 > 7.139 ) and bondedto
      (attr store1 < 110.518  and attr store1 > 109.718 ))
6 0.1 0.1 peak 2183 volume 4.34874 ppm1 7.169 ppm2 1.318
 
! ############### n15noe.2184 NOT folded
assi (attr store1 < 2.554 and attr store1 > 2.454 ) 
     ((attr store1 < 7.197 and attr store1 > 7.137 ) and bondedto
      (attr store1 < 110.521  and attr store1 > 109.721 ))
6 0.1 0.1 peak 2184 volume 4.30900 ppm1 7.167 ppm2 2.504
 
! ############### n15noe.2185 NOT folded
assi (attr store1 < 1.288 and attr store1 > 1.188 ) 
     ((attr store1 < 7.196 and attr store1 > 7.136 ) and bondedto
      (attr store1 < 110.52  and attr store1 > 109.72 ))
6 0.1 0.1 peak 2185 volume 21.86490 ppm1 7.166 ppm2 1.238
 
! ############### n15noe.2186 NOT folded
assi (attr store1 < 0.993 and attr store1 > 0.893 ) 
     ((attr store1 < 7.196 and attr store1 > 7.136 ) and bondedto
      (attr store1 < 110.489  and attr store1 > 109.689 ))
6 0.1 0.1 peak 2186 volume 4.42039 ppm1 7.166 ppm2 0.943
 
! ############### n15noe.2187 NOT folded
assi (attr store1 < 2.958 and attr store1 > 2.858 ) 
     ((attr store1 < 7.033 and attr store1 > 6.973 ) and bondedto
      (attr store1 < 110.509  and attr store1 > 109.709 ))
6 0.1 0.1 peak 2187 volume 4.93259 ppm1 7.003 ppm2 2.908
 
! ############### n15noe.2188 NOT folded
assi (attr store1 < 1.595 and attr store1 > 1.495 ) 
     ((attr store1 < 7.029 and attr store1 > 6.969 ) and bondedto
      (attr store1 < 110.514  and attr store1 > 109.714 ))
6 0.1 0.1 peak 2188 volume 5.35898 ppm1 6.999 ppm2 1.545
 
! ############### n15noe.2189 NOT folded
assi (attr store1 < 2.189 and attr store1 > 2.089 ) 
     ((attr store1 < 7.026 and attr store1 > 6.966 ) and bondedto
      (attr store1 < 110.482  and attr store1 > 109.682 ))
6 0.1 0.1 peak 2189 volume 4.13379 ppm1 6.996 ppm2 2.139
 
! ############### n15noe.2190 NOT folded
assi (attr store1 < 7.043 and attr store1 > 6.943 ) 
     ((attr store1 < 6.658 and attr store1 > 6.598 ) and bondedto
      (attr store1 < 110.517  and attr store1 > 109.717 ))
6 0.1 0.1 peak 2190 volume 50.36897 ppm1 6.628 ppm2 6.993
 
! ############### n15noe.2191 NOT folded
assi (attr store1 < 8.307 and attr store1 > 8.207 ) 
     ((attr store1 < 8.392 and attr store1 > 8.332 ) and bondedto
      (attr store1 < 110.126  and attr store1 > 109.326 ))
6 0.1 0.1 peak 2191 volume 4.66887 ppm1 8.362 ppm2 8.257
 
! ############### n15noe.2192 NOT folded
assi (attr store1 < 8.521 and attr store1 > 8.421 ) 
     ((attr store1 < 8.39 and attr store1 > 8.33 ) and bondedto
      (attr store1 < 110.074  and attr store1 > 109.274 ))
6 0.1 0.1 peak 2192 volume 7.56932 ppm1 8.360 ppm2 8.471
 
! ############### n15noe.2193 NOT folded
assi (attr store1 < 7.217 and attr store1 > 7.117 ) 
     ((attr store1 < 7.041 and attr store1 > 6.981 ) and bondedto
      (attr store1 < 110.099  and attr store1 > 109.299 ))
6 0.1 0.1 peak 2193 volume 25.94305 ppm1 7.011 ppm2 7.167
 
! ############### n15noe.2194 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 8.387 and attr store1 > 8.327 ) and bondedto
      (attr store1 < 110.03  and attr store1 > 109.23 ))
6 0.1 0.1 peak 2194 volume 773.48352 ppm1 8.357 ppm2 4.688
 
! ############### n15noe.2195 NOT folded
assi (attr store1 < 4.535 and attr store1 > 4.435 ) 
     ((attr store1 < 8.389 and attr store1 > 8.329 ) and bondedto
      (attr store1 < 110.032  and attr store1 > 109.232 ))
6 0.1 0.1 peak 2195 volume 13.57255 ppm1 8.359 ppm2 4.485
 
! ############### n15noe.2196 NOT folded
assi (attr store1 < 4.046 and attr store1 > 3.946 ) 
     ((attr store1 < 8.318 and attr store1 > 8.258 ) and bondedto
      (attr store1 < 109.979  and attr store1 > 109.179 ))
6 0.1 0.1 peak 2196 volume 87.22775 ppm1 8.288 ppm2 3.996
 
! ############### n15noe.2197 NOT folded
assi (attr store1 < 7.064 and attr store1 > 6.964 ) 
     ((attr store1 < 7.199 and attr store1 > 7.139 ) and bondedto
      (attr store1 < 110.032  and attr store1 > 109.232 ))
6 0.1 0.1 peak 2197 volume 25.72867 ppm1 7.169 ppm2 7.014
 
! ############### n15noe.2198 folded
assi (attr store1 < 1.469 and attr store1 > 1.369 )
     ((attr store1 < 6.931 and attr store1 > 6.871 ) and bondedto
      (attr store1 < 85.2961357939  and attr store1 > 84.4961357939 ))
6 0.1 0.1 peak 2198 volume 3.92442 ppm1 6.901 ppm2 1.419
 
! ############### n15noe.2199 folded
assi (attr store1 < 4.738 and attr store1 > 4.638 )
     ((attr store1 < 6.925 and attr store1 > 6.865 ) and bondedto
      (attr store1 < 85.3191357939  and attr store1 > 84.5191357939 ))
6 0.1 0.1 peak 2199 volume 69.89043 ppm1 6.895 ppm2 4.688
 
! ############### n15noe.2200 NOT folded
assi (attr store1 < 4.738 and attr store1 > 4.638 ) 
     ((attr store1 < 8.323 and attr store1 > 8.263 ) and bondedto
      (attr store1 < 109.892  and attr store1 > 109.092 ))
6 0.1 0.1 peak 2200 volume 568.22430 ppm1 8.293 ppm2 4.688
 
! ############### n15noe.2201 NOT folded
assi (attr store1 < 4.049 and attr store1 > 3.949 ) 
     ((attr store1 < 8.369 and attr store1 > 8.309 ) and bondedto
      (attr store1 < 109.832  and attr store1 > 109.032 ))
6 0.1 0.1 peak 2201 volume 56.24609 ppm1 8.339 ppm2 3.999
 
! ############### n15noe.2202 NOT folded
assi (attr store1 < 4.106 and attr store1 > 4.006 ) 
     ((attr store1 < 7.195 and attr store1 > 7.135 ) and bondedto
      (attr store1 < 109.678  and attr store1 > 108.878 ))
6 0.1 0.1 peak 2202 volume 5.94274 ppm1 7.165 ppm2 4.056
 
! ############### n15noe.2203 NOT folded
assi (attr store1 < 3.002 and attr store1 > 2.902 ) 
     ((attr store1 < 7.195 and attr store1 > 7.135 ) and bondedto
      (attr store1 < 109.684  and attr store1 > 108.884 ))
6 0.1 0.1 peak 2203 volume 3.93655 ppm1 7.165 ppm2 2.952
 
! ############### n15noe.2204 NOT folded
assi (attr store1 < 2.192 and attr store1 > 2.092 ) 
     ((attr store1 < 7.195 and attr store1 > 7.135 ) and bondedto
      (attr store1 < 109.672  and attr store1 > 108.872 ))
6 0.1 0.1 peak 2204 volume 14.88702 ppm1 7.165 ppm2 2.142
 
! ############### n15noe.2205 NOT folded
assi (attr store1 < 0.961 and attr store1 > 0.861 ) 
     ((attr store1 < 7.194 and attr store1 > 7.134 ) and bondedto
      (attr store1 < 109.691  and attr store1 > 108.891 ))
6 0.1 0.1 peak 2205 volume 3.75895 ppm1 7.164 ppm2 0.911
 
! ############### n15noe.2206 NOT folded
assi (attr store1 < 2.444 and attr store1 > 2.344 ) 
     ((attr store1 < 6.291 and attr store1 > 6.231 ) and bondedto
      (attr store1 < 109.705  and attr store1 > 108.905 ))
6 0.1 0.1 peak 2206 volume 4.01045 ppm1 6.261 ppm2 2.394
 
! ############### n15noe.2207 NOT folded
assi (attr store1 < 1.182 and attr store1 > 1.082 ) 
     ((attr store1 < 6.287 and attr store1 > 6.227 ) and bondedto
      (attr store1 < 109.695  and attr store1 > 108.895 ))
6 0.1 0.1 peak 2207 volume 12.11973 ppm1 6.257 ppm2 1.132
 
! ############### n15noe.2208 NOT folded
assi (attr store1 < 2.782 and attr store1 > 2.682 ) 
     ((attr store1 < 6.283 and attr store1 > 6.223 ) and bondedto
      (attr store1 < 109.707  and attr store1 > 108.907 ))
6 0.1 0.1 peak 2208 volume 6.52077 ppm1 6.253 ppm2 2.732
 
! ############### n15noe.2209 NOT folded
assi (attr store1 < 2.192 and attr store1 > 2.092 ) 
     ((attr store1 < 6.283 and attr store1 > 6.223 ) and bondedto
      (attr store1 < 109.677  and attr store1 > 108.877 ))
6 0.1 0.1 peak 2209 volume 10.89496 ppm1 6.253 ppm2 2.142
 
! ############### n15noe.2210 folded
assi (attr store1 < 4.732 and attr store1 > 4.632 )
     ((attr store1 < 7.15 and attr store1 > 7.09 ) and bondedto
      (attr store1 < 85.0411357939  and attr store1 > 84.2411357939 ))
6 0.1 0.1 peak 2210 volume 9.85175 ppm1 7.120 ppm2 4.682
 
! ############### n15noe.2211 NOT folded
assi (attr store1 < 2.399 and attr store1 > 2.299 ) 
     ((attr store1 < 7.199 and attr store1 > 7.139 ) and bondedto
      (attr store1 < 109.634  and attr store1 > 108.834 ))
6 0.1 0.1 peak 2211 volume 5.45161 ppm1 7.169 ppm2 2.349
 
! ############### n15noe.2212 NOT folded
assi (attr store1 < 0.975 and attr store1 > 0.875 ) 
     ((attr store1 < 7.2 and attr store1 > 7.14 ) and bondedto
      (attr store1 < 109.647  and attr store1 > 108.847 ))
6 0.1 0.1 peak 2212 volume 3.68834 ppm1 7.170 ppm2 0.925
 
! ############### n15noe.2213 NOT folded
assi (attr store1 < 2.771 and attr store1 > 2.671 ) 
     ((attr store1 < 7.196 and attr store1 > 7.136 ) and bondedto
      (attr store1 < 109.65  and attr store1 > 108.85 ))
6 0.1 0.1 peak 2213 volume 9.15134 ppm1 7.166 ppm2 2.721
 
! ############### n15noe.2214 NOT folded
assi (attr store1 < 2.46 and attr store1 > 2.36 ) 
     ((attr store1 < 7.195 and attr store1 > 7.135 ) and bondedto
      (attr store1 < 109.641  and attr store1 > 108.841 ))
6 0.1 0.1 peak 2214 volume 4.07949 ppm1 7.165 ppm2 2.410
 
! ############### n15noe.2215 NOT folded
assi (attr store1 < 1.187 and attr store1 > 1.087 ) 
     ((attr store1 < 7.196 and attr store1 > 7.136 ) and bondedto
      (attr store1 < 109.633  and attr store1 > 108.833 ))
6 0.1 0.1 peak 2215 volume 13.73503 ppm1 7.166 ppm2 1.137
 
! ############### n15noe.2216 NOT folded
assi (attr store1 < 6.3 and attr store1 > 6.2 ) 
     ((attr store1 < 7.192 and attr store1 > 7.132 ) and bondedto
      (attr store1 < 109.652  and attr store1 > 108.852 ))
6 0.1 0.1 peak 2216 volume 107.71745 ppm1 7.162 ppm2 6.250
 
! ############### n15noe.2217 NOT folded
assi (attr store1 < 2.395 and attr store1 > 2.295 ) 
     ((attr store1 < 6.299 and attr store1 > 6.239 ) and bondedto
      (attr store1 < 109.608  and attr store1 > 108.808 ))
6 0.1 0.1 peak 2217 volume 4.23971 ppm1 6.269 ppm2 2.345
 
! ############### n15noe.2218 NOT folded
assi (attr store1 < 7.215 and attr store1 > 7.115 ) 
     ((attr store1 < 6.282 and attr store1 > 6.222 ) and bondedto
      (attr store1 < 109.652  and attr store1 > 108.852 ))
6 0.1 0.1 peak 2218 volume 88.33425 ppm1 6.252 ppm2 7.165
 
! ############### n15noe.2219 NOT folded
assi (attr store1 < 1.18 and attr store1 > 1.08 ) 
     ((attr store1 < 6.279 and attr store1 > 6.219 ) and bondedto
      (attr store1 < 109.651  and attr store1 > 108.851 ))
6 0.1 0.1 peak 2219 volume 12.56201 ppm1 6.249 ppm2 1.130
 
! ############### n15noe.2220 NOT folded
assi (attr store1 < 0.804 and attr store1 > 0.704 ) 
     ((attr store1 < 5.491 and attr store1 > 5.431 ) and bondedto
      (attr store1 < 109.595  and attr store1 > 108.795 ))
6 0.1 0.1 peak 2220 volume 7.41588 ppm1 5.461 ppm2 0.754
 
! ############### n15noe.2221 NOT folded
assi (attr store1 < 7.861 and attr store1 > 7.761 ) 
     ((attr store1 < 5.487 and attr store1 > 5.427 ) and bondedto
      (attr store1 < 109.6  and attr store1 > 108.8 ))
6 0.1 0.1 peak 2221 volume 34.64376 ppm1 5.457 ppm2 7.811
 
! ############### n15noe.2222 NOT folded
assi (attr store1 < 1.968 and attr store1 > 1.868 ) 
     ((attr store1 < 5.484 and attr store1 > 5.424 ) and bondedto
      (attr store1 < 109.602  and attr store1 > 108.802 ))
6 0.1 0.1 peak 2222 volume 3.68660 ppm1 5.454 ppm2 1.918
 
! ############### n15noe.2223 NOT folded
assi (attr store1 < 2.288 and attr store1 > 2.188 ) 
     ((attr store1 < 5.469 and attr store1 > 5.409 ) and bondedto
      (attr store1 < 109.624  and attr store1 > 108.824 ))
6 0.1 0.1 peak 2223 volume 4.97035 ppm1 5.439 ppm2 2.238
 
! ############### n15noe.2224 NOT folded
assi (attr store1 < 0.796 and attr store1 > 0.696 ) 
     ((attr store1 < 5.45 and attr store1 > 5.39 ) and bondedto
      (attr store1 < 109.614  and attr store1 > 108.814 ))
6 0.1 0.1 peak 2224 volume 3.53219 ppm1 5.420 ppm2 0.746
 
! ############### n15noe.2225 folded
assi (attr store1 < 3.246 and attr store1 > 3.146 )
     ((attr store1 < 7.089 and attr store1 > 7.029 ) and bondedto
      (attr store1 < 84.9081357939  and attr store1 > 84.1081357939 ))
6 0.1 0.1 peak 2225 volume 7.68497 ppm1 7.059 ppm2 3.196
 
! ############### n15noe.2226 folded
assi (attr store1 < 3.336 and attr store1 > 3.236 )
     ((attr store1 < 7.087 and attr store1 > 7.027 ) and bondedto
      (attr store1 < 84.9071357939  and attr store1 > 84.1071357939 ))
6 0.1 0.1 peak 2226 volume 7.93388 ppm1 7.057 ppm2 3.286
 
! ############### n15noe.2227 NOT folded
assi (attr store1 < 5.504 and attr store1 > 5.404 ) 
     ((attr store1 < 7.848 and attr store1 > 7.788 ) and bondedto
      (attr store1 < 109.546  and attr store1 > 108.746 ))
6 0.1 0.1 peak 2227 volume 31.58906 ppm1 7.818 ppm2 5.454
 
! ############### n15noe.2228 NOT folded
assi (attr store1 < 0.877 and attr store1 > 0.777 ) 
     ((attr store1 < 7.85 and attr store1 > 7.79 ) and bondedto
      (attr store1 < 109.549  and attr store1 > 108.749 ))
6 0.1 0.1 peak 2228 volume 12.17475 ppm1 7.820 ppm2 0.827
 
! ############### n15noe.2229 NOT folded
assi (attr store1 < 1.887 and attr store1 > 1.787 ) 
     ((attr store1 < 7.845 and attr store1 > 7.785 ) and bondedto
      (attr store1 < 109.549  and attr store1 > 108.749 ))
6 0.1 0.1 peak 2229 volume 4.17561 ppm1 7.815 ppm2 1.837
 
! ############### n15noe.2230 NOT folded
assi (attr store1 < 5.51 and attr store1 > 5.41 ) 
     ((attr store1 < 7.841 and attr store1 > 7.781 ) and bondedto
      (attr store1 < 109.552  and attr store1 > 108.752 ))
6 0.1 0.1 peak 2230 volume 31.55222 ppm1 7.811 ppm2 5.460
 
! ############### n15noe.2231 NOT folded
assi (attr store1 < 2.863 and attr store1 > 2.763 ) 
     ((attr store1 < 7.84 and attr store1 > 7.78 ) and bondedto
      (attr store1 < 109.525  and attr store1 > 108.725 ))
6 0.1 0.1 peak 2231 volume 4.10651 ppm1 7.810 ppm2 2.813
 
! ############### n15noe.2232 NOT folded
assi (attr store1 < 0.983 and attr store1 > 0.883 ) 
     ((attr store1 < 5.504 and attr store1 > 5.444 ) and bondedto
      (attr store1 < 109.53  and attr store1 > 108.73 ))
6 0.1 0.1 peak 2232 volume 5.06742 ppm1 5.474 ppm2 0.933
 
! ############### n15noe.2233 NOT folded
assi (attr store1 < 2.861 and attr store1 > 2.761 ) 
     ((attr store1 < 5.487 and attr store1 > 5.427 ) and bondedto
      (attr store1 < 109.538  and attr store1 > 108.738 ))
6 0.1 0.1 peak 2233 volume 5.79638 ppm1 5.457 ppm2 2.811
 
! ############### n15noe.2234 NOT folded
assi (attr store1 < 1.934 and attr store1 > 1.834 ) 
     ((attr store1 < 5.486 and attr store1 > 5.426 ) and bondedto
      (attr store1 < 109.499  and attr store1 > 108.699 ))
6 0.1 0.1 peak 2234 volume 4.09612 ppm1 5.456 ppm2 1.884
 
! ############### n15noe.2235 NOT folded
assi (attr store1 < 2.268 and attr store1 > 2.168 ) 
     ((attr store1 < 5.482 and attr store1 > 5.422 ) and bondedto
      (attr store1 < 109.546  and attr store1 > 108.746 ))
6 0.1 0.1 peak 2235 volume 5.63247 ppm1 5.452 ppm2 2.218
 
! ############### n15noe.2236 NOT folded
assi (attr store1 < 1.081 and attr store1 > 0.981 ) 
     ((attr store1 < 5.484 and attr store1 > 5.424 ) and bondedto
      (attr store1 < 109.523  and attr store1 > 108.723 ))
6 0.1 0.1 peak 2236 volume 4.76842 ppm1 5.454 ppm2 1.031
 
! ############### n15noe.2237 NOT folded
assi (attr store1 < 0.874 and attr store1 > 0.774 ) 
     ((attr store1 < 5.483 and attr store1 > 5.423 ) and bondedto
      (attr store1 < 109.545  and attr store1 > 108.745 ))
6 0.1 0.1 peak 2237 volume 18.98786 ppm1 5.453 ppm2 0.824
 
! ############### n15noe.2238 NOT folded
assi (attr store1 < 1.931 and attr store1 > 1.831 ) 
     ((attr store1 < 5.472 and attr store1 > 5.412 ) and bondedto
      (attr store1 < 109.528  and attr store1 > 108.728 ))
6 0.1 0.1 peak 2238 volume 4.00047 ppm1 5.442 ppm2 1.881
 
! ############### n15noe.2239 NOT folded
assi (attr store1 < 1.863 and attr store1 > 1.763 ) 
     ((attr store1 < 5.473 and attr store1 > 5.413 ) and bondedto
      (attr store1 < 109.537  and attr store1 > 108.737 ))
6 0.1 0.1 peak 2239 volume 5.42592 ppm1 5.443 ppm2 1.813
 
! ############### n15noe.2240 folded
assi (attr store1 < 4.737 and attr store1 > 4.637 )
     ((attr store1 < 7.088 and attr store1 > 7.028 ) and bondedto
      (attr store1 < 84.8731357939  and attr store1 > 84.0731357939 ))
6 0.1 0.1 peak 2240 volume 60.26535 ppm1 7.058 ppm2 4.687
 
! ############### n15noe.2241 folded
assi (attr store1 < 2.112 and attr store1 > 2.012 )
     ((attr store1 < 7.084 and attr store1 > 7.024 ) and bondedto
      (attr store1 < 84.8701357939  and attr store1 > 84.0701357939 ))
6 0.1 0.1 peak 2241 volume 11.75885 ppm1 7.054 ppm2 2.062
 
! ############### n15noe.2242 folded
assi (attr store1 < 1.767 and attr store1 > 1.667 )
     ((attr store1 < 7.087 and attr store1 > 7.027 ) and bondedto
      (attr store1 < 84.8871357939  and attr store1 > 84.0871357939 ))
6 0.1 0.1 peak 2242 volume 9.37622 ppm1 7.057 ppm2 1.717
 
! ############### n15noe.2243 folded
assi (attr store1 < 1.024 and attr store1 > 0.924 )
     ((attr store1 < 7.087 and attr store1 > 7.027 ) and bondedto
      (attr store1 < 84.8791357939  and attr store1 > 84.0791357939 ))
6 0.1 0.1 peak 2243 volume 12.57423 ppm1 7.057 ppm2 0.974
 
! ############### n15noe.2244 NOT folded
assi (attr store1 < 6.298 and attr store1 > 6.198 ) 
     ((attr store1 < 7.193 and attr store1 > 7.133 ) and bondedto
      (attr store1 < 109.232  and attr store1 > 108.432 ))
6 0.1 0.1 peak 2244 volume 18.80631 ppm1 7.163 ppm2 6.248
 
! ############### n15noe.2245 NOT folded
assi (attr store1 < 2.179 and attr store1 > 2.079 ) 
     ((attr store1 < 7.191 and attr store1 > 7.131 ) and bondedto
      (attr store1 < 109.191  and attr store1 > 108.391 ))
6 0.1 0.1 peak 2245 volume 4.46867 ppm1 7.161 ppm2 2.129
 
! ############### n15noe.2246 NOT folded
assi (attr store1 < 4.058 and attr store1 > 3.958 ) 
     ((attr store1 < 8.365 and attr store1 > 8.305 ) and bondedto
      (attr store1 < 109.104  and attr store1 > 108.304 ))
6 0.1 0.1 peak 2246 volume 31.37507 ppm1 8.335 ppm2 4.008
 
! ############### n15noe.2247 NOT folded
assi (attr store1 < 7.74 and attr store1 > 7.64 ) 
     ((attr store1 < 8.362 and attr store1 > 8.302 ) and bondedto
      (attr store1 < 109.098  and attr store1 > 108.298 ))
6 0.1 0.1 peak 2247 volume 14.33292 ppm1 8.332 ppm2 7.690
 
! ############### n15noe.2248 NOT folded
assi (attr store1 < 4.777 and attr store1 > 4.677 ) 
     ((attr store1 < 8.363 and attr store1 > 8.303 ) and bondedto
      (attr store1 < 109.114  and attr store1 > 108.314 ))
6 0.1 0.1 peak 2248 volume 11.22809 ppm1 8.333 ppm2 4.727
 
! ############### n15noe.2249 NOT folded
assi (attr store1 < 3.686 and attr store1 > 3.586 ) 
     ((attr store1 < 8.362 and attr store1 > 8.302 ) and bondedto
      (attr store1 < 109.121  and attr store1 > 108.321 ))
6 0.1 0.1 peak 2249 volume 6.02205 ppm1 8.332 ppm2 3.636
 
! ############### n15noe.2250 NOT folded
assi (attr store1 < 3.605 and attr store1 > 3.505 ) 
     ((attr store1 < 8.362 and attr store1 > 8.302 ) and bondedto
      (attr store1 < 109.103  and attr store1 > 108.303 ))
6 0.1 0.1 peak 2250 volume 5.85517 ppm1 8.332 ppm2 3.555
 
! ############### n15noe.2251 NOT folded
assi (attr store1 < 2.236 and attr store1 > 2.136 ) 
     ((attr store1 < 8.362 and attr store1 > 8.302 ) and bondedto
      (attr store1 < 109.126  and attr store1 > 108.326 ))
6 0.1 0.1 peak 2251 volume 4.55495 ppm1 8.332 ppm2 2.186
 
! ############### n15noe.2252 NOT folded
assi (attr store1 < 1.724 and attr store1 > 1.624 ) 
     ((attr store1 < 8.362 and attr store1 > 8.302 ) and bondedto
      (attr store1 < 109.132  and attr store1 > 108.332 ))
6 0.1 0.1 peak 2252 volume 4.52642 ppm1 8.332 ppm2 1.674
 
! ############### n15noe.2253 NOT folded
assi (attr store1 < 5.515 and attr store1 > 5.415 ) 
     ((attr store1 < 7.855 and attr store1 > 7.795 ) and bondedto
      (attr store1 < 109.124  and attr store1 > 108.324 ))
6 0.1 0.1 peak 2253 volume 4.81449 ppm1 7.825 ppm2 5.465
 
! ############### n15noe.2254 NOT folded
assi (attr store1 < 2.773 and attr store1 > 2.673 ) 
     ((attr store1 < 7.187 and attr store1 > 7.127 ) and bondedto
      (attr store1 < 109.149  and attr store1 > 108.349 ))
6 0.1 0.1 peak 2254 volume 3.69508 ppm1 7.157 ppm2 2.723
 
! ############### n15noe.2255 NOT folded
assi (attr store1 < 7.215 and attr store1 > 7.115 ) 
     ((attr store1 < 6.285 and attr store1 > 6.225 ) and bondedto
      (attr store1 < 109.146  and attr store1 > 108.346 ))
6 0.1 0.1 peak 2255 volume 13.98775 ppm1 6.255 ppm2 7.165
 
! ############### n15noe.2256 NOT folded
assi (attr store1 < 3.842 and attr store1 > 3.742 ) 
     ((attr store1 < 8.364 and attr store1 > 8.304 ) and bondedto
      (attr store1 < 109.079  and attr store1 > 108.279 ))
6 0.1 0.1 peak 2256 volume 23.59328 ppm1 8.334 ppm2 3.792
 
! ############### n15noe.2257 NOT folded
assi (attr store1 < 0.942 and attr store1 > 0.842 ) 
     ((attr store1 < 8.364 and attr store1 > 8.304 ) and bondedto
      (attr store1 < 109.058  and attr store1 > 108.258 ))
6 0.1 0.1 peak 2257 volume 12.40326 ppm1 8.334 ppm2 0.892
 
! ############### n15noe.2258 NOT folded
assi (attr store1 < 1.181 and attr store1 > 1.081 ) 
     ((attr store1 < 6.285 and attr store1 > 6.225 ) and bondedto
      (attr store1 < 109.055  and attr store1 > 108.255 ))
6 0.1 0.1 peak 2258 volume 4.12736 ppm1 6.255 ppm2 1.131
 
! ############### n15noe.2259 NOT folded
assi (attr store1 < 0.879 and attr store1 > 0.779 ) 
     ((attr store1 < 5.477 and attr store1 > 5.417 ) and bondedto
      (attr store1 < 109.019  and attr store1 > 108.219 ))
6 0.1 0.1 peak 2259 volume 3.86120 ppm1 5.447 ppm2 0.829
 
! ############### n15noe.2260 NOT folded
assi (attr store1 < 0.882 and attr store1 > 0.782 ) 
     ((attr store1 < 5.498 and attr store1 > 5.438 ) and bondedto
      (attr store1 < 108.964  and attr store1 > 108.164 ))
6 0.1 0.1 peak 2260 volume 3.86147 ppm1 5.468 ppm2 0.832
 
! ############### n15noe.2261 NOT folded
assi (attr store1 < 7.863 and attr store1 > 7.763 ) 
     ((attr store1 < 5.494 and attr store1 > 5.434 ) and bondedto
      (attr store1 < 108.985  and attr store1 > 108.185 ))
6 0.1 0.1 peak 2261 volume 5.38251 ppm1 5.464 ppm2 7.813
 
! ############### n15noe.2262 NOT folded
assi (attr store1 < 2.377 and attr store1 > 2.277 ) 
     ((attr store1 < 8.699 and attr store1 > 8.639 ) and bondedto
      (attr store1 < 107.986  and attr store1 > 107.186 ))
6 0.1 0.1 peak 2262 volume 13.57618 ppm1 8.669 ppm2 2.327
 
! ############### n15noe.2263 NOT folded
assi (attr store1 < 1.834 and attr store1 > 1.734 ) 
     ((attr store1 < 8.701 and attr store1 > 8.641 ) and bondedto
      (attr store1 < 107.97  and attr store1 > 107.17 ))
6 0.1 0.1 peak 2263 volume 4.11715 ppm1 8.671 ppm2 1.784
 
! ############### n15noe.2264 NOT folded
assi (attr store1 < 8.85 and attr store1 > 8.75 ) 
     ((attr store1 < 8.697 and attr store1 > 8.637 ) and bondedto
      (attr store1 < 107.992  and attr store1 > 107.192 ))
6 0.1 0.1 peak 2264 volume 14.73937 ppm1 8.667 ppm2 8.800
 
! ############### n15noe.2265 NOT folded
assi (attr store1 < 7.35 and attr store1 > 7.25 ) 
     ((attr store1 < 8.695 and attr store1 > 8.635 ) and bondedto
      (attr store1 < 107.956  and attr store1 > 107.156 ))
6 0.1 0.1 peak 2265 volume 18.00821 ppm1 8.665 ppm2 7.300
 
! ############### n15noe.2266 NOT folded
assi (attr store1 < 3.772 and attr store1 > 3.672 ) 
     ((attr store1 < 8.697 and attr store1 > 8.637 ) and bondedto
      (attr store1 < 107.989  and attr store1 > 107.189 ))
6 0.1 0.1 peak 2266 volume 20.03304 ppm1 8.667 ppm2 3.722
 
! ############### n15noe.2267 NOT folded
assi (attr store1 < 3.6 and attr store1 > 3.5 ) 
     ((attr store1 < 8.696 and attr store1 > 8.636 ) and bondedto
      (attr store1 < 107.986  and attr store1 > 107.186 ))
6 0.1 0.1 peak 2267 volume 19.55132 ppm1 8.666 ppm2 3.550
 
! ############### n15noe.2268 NOT folded
assi (attr store1 < 1.587 and attr store1 > 1.487 ) 
     ((attr store1 < 8.697 and attr store1 > 8.637 ) and bondedto
      (attr store1 < 107.964  and attr store1 > 107.164 ))
6 0.1 0.1 peak 2268 volume 4.25136 ppm1 8.667 ppm2 1.537
 
! ############### n15noe.2269 NOT folded
assi (attr store1 < 1.089 and attr store1 > 0.989 ) 
     ((attr store1 < 8.695 and attr store1 > 8.635 ) and bondedto
      (attr store1 < 108.001  and attr store1 > 107.201 ))
6 0.1 0.1 peak 2269 volume 11.73986 ppm1 8.665 ppm2 1.039
 
! ############### n15noe.2270 NOT folded
assi ( resid 88  and name HD1%)
     ( resid 52  and name HN  )
6 0.1 0.1 peak 2270 volume 18.68253 ppm1 8.664 ppm2 0.869
 
! ############### n15noe.2271 NOT folded
assi (attr store1 < 0.836 and attr store1 > 0.736 ) 
     ((attr store1 < 8.696 and attr store1 > 8.636 ) and bondedto
      (attr store1 < 107.973  and attr store1 > 107.173 ))
6 0.1 0.1 peak 2271 volume 12.28530 ppm1 8.666 ppm2 0.786
 
! ############### n15noe.2272 NOT folded
assi (attr store1 < 8.575 and attr store1 > 8.475 ) 
     ((attr store1 < 8.405 and attr store1 > 8.345 ) and bondedto
      (attr store1 < 122.919  and attr store1 > 122.119 ))
6 0.1 0.1 peak 2272 volume 5.72442 ppm1 8.375 ppm2 8.525
 
! ############### n15noe.2273 NOT folded
assi (attr store1 < 1.484 and attr store1 > 1.384 ) 
     ((attr store1 < 8.83 and attr store1 > 8.77 ) and bondedto
      (attr store1 < 123.208  and attr store1 > 122.408 ))
6 0.1 0.1 peak 2273 volume 4.59769 ppm1 8.800 ppm2 1.434
 


assign (resid 15 and name o) (resid   19 and name hn) 2.0 0.7 0.5
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assign (resid 17 and name o) (resid   21 and name n) 3.0 0.7 0.5
assign (resid 18 and name o) (resid   22 and name hn) 2.0 0.7 0.5
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assign (resid 19 and name o) (resid   23 and name hn) 2.0 0.7 0.5
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assign (resid 20 and name o) (resid   24 and name hn) 2.0 0.7 0.5
assign (resid 20 and name o) (resid   24 and name n) 3.0 0.7 0.5
assign (resid 21 and name o) (resid   25 and name hn) 2.0 0.7 0.5
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assign (resid 22 and name o) (resid   26 and name hn) 2.0 0.7 0.5
assign (resid 22 and name o) (resid   26 and name n) 3.0 0.7 0.5
assign (resid 23 and name o) (resid   27 and name hn) 2.0 0.7 0.5
assign (resid 23 and name o) (resid   27 and name n) 3.0 0.7 0.5
assign (resid 24 and name o) (resid   28 and name hn) 2.0 0.7 0.5
assign (resid 24 and name o) (resid   28 and name n) 3.0 0.7 0.5
assign (resid 25 and name o) (resid   29 and name hn) 2.0 0.7 0.5
assign (resid 25 and name o) (resid   29 and name n) 3.0 0.7 0.5
assign (resid 26 and name o) (resid   30 and name hn) 2.0 0.7 0.5
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assign (resid 27 and name o) (resid   31 and name hn) 2.0 0.7 0.5
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assign (resid 28 and name o) (resid   32 and name hn) 2.0 0.7 0.5
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assign (resid 29 and name o) (resid   33 and name hn) 2.0 0.7 0.5
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assign (resid 30 and name o) (resid   34 and name hn) 2.0 0.7 0.5
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assign (resid 31 and name o) (resid   35 and name hn) 2.0 0.7 0.5
assign (resid 31 and name o) (resid   35 and name n) 3.0 0.7 0.5
assign (resid 32 and name o) (resid   36 and name hn) 2.0 0.7 0.5
assign (resid 32 and name o) (resid   36 and name n) 3.0 0.7 0.5
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assign (resid 33 and name o) (resid   37 and name n) 3.0 0.7 0.5
assign (resid 34 and name o) (resid   38 and name hn) 2.0 0.7 0.5
assign (resid 34 and name o) (resid   38 and name n) 3.0 0.7 0.5
assign (resid 41 and name o) (resid   45 and name hn) 2.0 0.7 0.5
assign (resid 41 and name o) (resid   45 and name n) 3.0 0.7 0.5
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assign (resid 43 and name o) (resid   47 and name hn) 2.0 0.7 0.5
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assign (resid 44 and name o) (resid   48 and name hn) 2.0 0.7 0.5
assign (resid 44 and name o) (resid   48 and name n) 3.0 0.7 0.5
assign (resid 45 and name o) (resid   49 and name hn) 2.0 0.7 0.5
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assign (resid 46 and name o) (resid   50 and name hn) 2.0 0.7 0.5
assign (resid 46 and name o) (resid   50 and name n) 3.0 0.7 0.5
assign (resid 47 and name o) (resid   51 and name hn) 2.0 0.7 0.5
assign (resid 47 and name o) (resid   51 and name n) 3.0 0.7 0.5
assign (resid 48 and name o) (resid   52 and name hn) 2.0 0.7 0.5
assign (resid 48 and name o) (resid   52 and name n) 3.0 0.7 0.5
assign (resid 49 and name o) (resid   53 and name hn) 2.0 0.7 0.5
assign (resid 49 and name o) (resid   53 and name n) 3.0 0.7 0.5
assign (resid 50 and name o) (resid   54 and name hn) 2.0 0.7 0.5
assign (resid 50 and name o) (resid   54 and name n) 3.0 0.7 0.5
assign (resid 51 and name o) (resid   55 and name hn) 2.0 0.7 0.5
assign (resid 51 and name o) (resid   55 and name n) 3.0 0.7 0.5
assign (resid 52 and name o) (resid   56 and name hn) 2.0 0.7 0.5
assign (resid 52 and name o) (resid   56 and name n) 3.0 0.7 0.5
assign (resid 53 and name o) (resid   57 and name hn) 2.0 0.7 0.5
assign (resid 53 and name o) (resid   57 and name n) 3.0 0.7 0.5
assign (resid 54 and name o) (resid   58 and name hn) 2.0 0.7 0.5
assign (resid 54 and name o) (resid   58 and name n) 3.0 0.7 0.5
assign (resid 55 and name o) (resid   59 and name hn) 2.0 0.7 0.5
assign (resid 55 and name o) (resid   59 and name n) 3.0 0.7 0.5
assign (resid 56 and name o) (resid   60 and name hn) 2.0 0.7 0.5
assign (resid 56 and name o) (resid   60 and name n) 3.0 0.7 0.5
assign (resid 57 and name o) (resid   61 and name hn) 2.0 0.7 0.5
assign (resid 57 and name o) (resid   61 and name n) 3.0 0.7 0.5
assign (resid 58 and name o) (resid   62 and name hn) 2.0 0.7 0.5
assign (resid 58 and name o) (resid   62 and name n) 3.0 0.7 0.5
assign (resid 59 and name o) (resid   63 and name hn) 2.0 0.7 0.5
assign (resid 59 and name o) (resid   63 and name n) 3.0 0.7 0.5
assign (resid 60 and name o) (resid   64 and name hn) 2.0 0.7 0.5
assign (resid 60 and name o) (resid   64 and name n) 3.0 0.7 0.5
assign (resid 61 and name o) (resid   65 and name hn) 2.0 0.7 0.5
assign (resid 61 and name o) (resid   65 and name n) 3.0 0.7 0.5
assign (resid 62 and name o) (resid   66 and name hn) 2.0 0.7 0.5
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assign (resid 63 and name o) (resid   67 and name hn) 2.0 0.7 0.5
assign (resid 63 and name o) (resid   67 and name n) 3.0 0.7 0.5
assign (resid 64 and name o) (resid   68 and name hn) 2.0 0.7 0.5
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assign (resid 65 and name o) (resid   69 and name hn) 2.0 0.7 0.5
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assign (resid 113 and name o) (resid  117 and name n) 3.0 0.7 0.5
assign (resid 114 and name o) (resid  118 and name hn) 2.0 0.7 0.5
assign (resid 114 and name o) (resid  118 and name n) 3.0 0.7 0.5
assign (resid 115 and name o) (resid  119 and name hn) 2.0 0.7 0.5
assign (resid 115 and name o) (resid  119 and name n) 3.0 0.7 0.5
assign (resid 116 and name o) (resid  120 and name hn) 2.0 0.7 0.5
assign (resid 116 and name o) (resid  120 and name n) 3.0 0.7 0.5
assign (resid 117 and name o) (resid  121 and name hn) 2.0 0.7 0.5
assign (resid 117 and name o) (resid  121 and name n) 3.0 0.7 0.5
assign (resid 118 and name o) (resid  122 and name hn) 2.0 0.7 0.5
assign (resid 118 and name o) (resid  122 and name n) 3.0 0.7 0.5
assign (resid 119 and name o) (resid  123 and name hn) 2.0 0.7 0.5
assign (resid 119 and name o) (resid  123 and name n) 3.0 0.7 0.5
assign (resid 120 and name o) (resid  124 and name hn) 2.0 0.7 0.5
assign (resid 120 and name o) (resid  124 and name n) 3.0 0.7 0.5
assign (resid 121 and name o) (resid  125 and name hn) 2.0 0.7 0.5
assign (resid 121 and name o) (resid  125 and name n) 3.0 0.7 0.5
assign (resid 122 and name o) (resid  126 and name hn) 2.0 0.7 0.5
assign (resid 122 and name o) (resid  126 and name n) 3.0 0.7 0.5
assign (resid 123 and name o) (resid  127 and name hn) 2.0 0.7 0.5
assign (resid 123 and name o) (resid  127 and name n) 3.0 0.7 0.5
assign (resid 124 and name o) (resid  128 and name hn) 2.0 0.7 0.5
assign (resid 124 and name o) (resid  128 and name n) 3.0 0.7 0.5
assign (resid 125 and name o) (resid  129 and name hn) 2.0 0.7 0.5
assign (resid 125 and name o) (resid  129 and name n) 3.0 0.7 0.5
assign (resid 126 and name o) (resid  130 and name hn) 2.0 0.7 0.5
assign (resid 126 and name o) (resid  130 and name n) 3.0 0.7 0.5
assign (resid 127 and name o) (resid  131 and name hn) 2.0 0.7 0.5
assign (resid 127 and name o) (resid  131 and name n) 3.0 0.7 0.5
assign (resid 128 and name o) (resid  132 and name hn) 2.0 0.7 0.5
assign (resid 128 and name o) (resid  132 and name n) 3.0 0.7 0.5
assign (resid 129 and name o) (resid  133 and name hn) 2.0 0.7 0.5
assign (resid 129 and name o) (resid  133 and name n) 3.0 0.7 0.5
assign (resid 130 and name o) (resid  134 and name hn) 2.0 0.7 0.5
assign (resid 130 and name o) (resid  134 and name n) 3.0 0.7 0.5
assign (resid 131 and name o) (resid  135 and name hn) 2.0 0.7 0.5
assign (resid 131 and name o) (resid  135 and name n) 3.0 0.7 0.5
assign (resid 132 and name o) (resid  136 and name hn) 2.0 0.7 0.5
assign (resid 132 and name o) (resid  136 and name n) 3.0 0.7 0.5
assign (resid 133 and name o) (resid  137 and name hn) 2.0 0.7 0.5
assign (resid 133 and name o) (resid  137 and name n) 3.0 0.7 0.5
assign (resid 134 and name o) (resid  138 and name hn) 2.0 0.7 0.5
assign (resid 134 and name o) (resid  138 and name n) 3.0 0.7 0.5
assign (resid 135 and name o) (resid  139 and name hn) 2.0 0.7 0.5
assign (resid 135 and name o) (resid  139 and name n) 3.0 0.7 0.5
assign (resid 136 and name o) (resid  140 and name hn) 2.0 0.7 0.5
assign (resid 136 and name o) (resid  140 and name n) 3.0 0.7 0.5
assign (resid 137 and name o) (resid  141 and name hn) 2.0 0.7 0.5
assign (resid 137 and name o) (resid  141 and name n) 3.0 0.7 0.5
assign (resid 138 and name o) (resid  142 and name hn) 2.0 0.7 0.5
assign (resid 138 and name o) (resid  142 and name n) 3.0 0.7 0.5
assign (resid 139 and name o) (resid  143 and name hn) 2.0 0.7 0.5
assign (resid 139 and name o) (resid  143 and name n) 3.0 0.7 0.5
assign (resid 140 and name o) (resid  144 and name hn) 2.0 0.7 0.5
assign (resid 140 and name o) (resid  144 and name n) 3.0 0.7 0.5


REMARK GDB System Tue Sep Tue Sep  3 15:07:00 2002 (2002.246.15.07)
REMARK Table TALOS Prediction Summary, File pred.tab, ID 3
REMARK 9 Variables, 146 Entries

DATA DB_NAME  dbase
DATA TAB_NAME TALOS Prediction Summary
DATA TAB_ID   3


VARS   RESID RESNAME PHI PSI DPHI DPSI DIST COUNT CLASS
FORMAT %4d %s %8.3f %8.3f %8.3f %8.3f %8.3f %2d %s

  13 R -105.630  134.920   29.570   25.790   46.490  8 New
  14 S  -85.460  139.810   22.030   23.210   42.310  5 New
  15 N  -78.280  143.910   16.120   24.130   43.130  6 New
  16 D  -81.600  128.410   16.610   25.750   46.950 10 Good
  17 K  -61.460  -39.120    9.050   17.190   51.580  8 New
  18 V  -67.010  -41.460    5.760    3.670   46.580 10 Good
  19 Y  -63.340  -39.250    6.200    8.030   40.190 10 Good
  20 E  -64.670  -36.400    6.720    6.870   39.810  9 New
  21 N  -62.640  -42.040    5.960    4.700   48.260 10 Good
  22 V  -67.850  -40.090    3.060    7.490   64.220 10 Good
  23 T  -64.180  -43.060    4.970    9.530   74.800  9 New
  24 G  -66.940  -39.390    3.610    5.770   65.920 10 Good
  25 L  -67.970  -37.750    1.970    8.940   49.420 10 Good
  26 V  -68.030  -42.560    6.960    4.330   43.330 10 Good
  27 K  -63.360  -35.680    5.770   10.610   41.840 10 Good
  28 A  -67.590  -36.910    7.840    4.870   41.210 10 Good
  29 V  -65.760  -41.270    6.970    4.380   51.000  9 New
  30 I  -66.860  -41.010    4.980    4.940   52.800  9 New
  31 E  -63.530  -38.370    5.080    4.420   47.530 10 Good
  32 M  -64.170  -40.050    2.490    2.620   44.510 10 Good
  33 S  -68.920  -35.300    3.480    8.070   53.310 10 Good
  34 S  -65.440  -33.600    5.670   15.580   60.300 10 Good
  35 K  -64.160  -36.540    8.610   16.070   62.960 10 Good
  36 I  -65.660  -39.010    7.020    7.900   65.230 10 Good
  37 Q  -68.470  -40.380    9.070   11.070   72.820 10 Good
  38 P  -82.980   -6.900   24.350   19.160   72.640  8 New
  39 A  -88.030  141.650   13.070   22.850   85.370  7 New
  40 P  -60.840  135.230   13.310   14.510   93.680  5 New
  41 P  -56.120  -34.140    2.370    8.020   85.240  9 Good
  42 E  -70.450  -24.800    7.780    9.500   52.730 10 Good
  43 E  -91.870  -15.450   11.140   15.050   48.420  9 New
  44 Y  -80.790  -24.500   19.800   19.640   63.760  7 New
  45 V  -61.930  -43.600    8.730    8.560   71.420 10 Good
  46 P  -58.380  -35.110    3.480    8.090   59.880 10 Good
  47 M  -66.800  -40.630    5.870    6.170   55.230 10 Good
  48 V  -68.940  -40.300    7.640    5.450   47.790 10 Good
  49 K  -61.510  -42.360    4.290   10.410   45.700 10 Good
  50 E  -65.730  -39.710    4.970    3.330   45.110 10 Good
  51 V  -68.140  -39.660    8.140    8.230   53.120 10 Good
  52 G  -65.930  -36.410    4.350    2.380   56.550 10 Good
  53 L  -72.160  -33.880    7.890   10.590   47.700 10 Good
  54 A  -67.220  -37.730    8.040    9.460   54.090 10 Good
  55 L  -69.110  -32.850    4.250    6.500   59.680  9 New
  56 R  -65.980  -38.200    7.660    5.640   57.500  9 New
  57 T  -67.750  -39.430    4.440    8.920   42.690  8 New
  58 L  -65.590  -35.540    5.140    3.180   41.320 10 Good
  59 L  -65.260  -36.990    6.160   10.990   38.970 10 Good
  60 A  -67.860  -35.800    8.850    7.030   50.340 10 Good
  61 T  -63.970  -42.630    5.760    4.870   55.620 10 Good
  62 V  -67.340  -41.390    5.830    4.880   53.460 10 Good
  63 D  -66.890  -35.870    7.140    6.160   40.530 10 Good
  64 E  -63.950  -36.310    7.500   15.650   39.260  9 New
  65 S  -70.450  -39.820    9.180    4.990   43.790 10 Good
  66 L  -68.420  -39.700    8.630    7.190   66.070 10 Good
  67 P  -69.050  -25.490   11.690    9.810   73.910 10 Good
  68 V -104.550    1.730   14.260   14.450   66.030  9 Good
  69 L  -80.630  126.330   13.710   31.850   83.820  8 New
  70 P  -65.130  153.730    7.780   12.650  111.410  5 New
  71 A  -69.990  -33.710    7.770   14.100  121.940  7 New
  72 S  -65.870  -30.320    8.610   12.380   92.070  9 New
  73 T  -68.560  -36.330   10.770    6.810   72.130 10 Good
  74 H  -66.040  -35.720    4.590    6.040   71.200 10 Good
  75 R  -64.680  -39.140    6.920    5.090   68.170 10 Good
  76 E  -64.710  -41.910    6.440    4.010   65.710 10 Good
  77 I  -66.800  -38.490    7.750    7.910   51.990 10 Good
  78 E  -63.390  -38.660    4.980    5.000   43.660 10 Good
  79 M  -65.500  -42.470    6.560   10.790   36.490 10 Good
  80 A  -65.290  -42.590    6.170    4.240   38.830 10 Good
  81 Q  -66.640  -39.080    5.070    8.660   54.380 10 Good
  82 K  -65.170  -40.320    4.440    8.270   56.650 10 Good
  83 L  -67.080  -41.500    8.640   11.020   53.590 10 Good
  84 L  -63.450  -41.740    5.170   10.590   36.860 10 Good
  85 N  -64.630  -35.190    8.680    6.100   44.430 10 Good
  86 S  -66.660  -34.590    5.220   11.510   50.530 10 Good
  87 D  -68.060  -36.790    5.480    7.960   50.120  9 New
  88 L  -65.810  -39.820    6.080   11.880   41.480 10 Good
  89 A  -67.340  -37.000    7.400    7.100   38.040 10 Good
  90 E  -66.770  -42.990    6.110    3.420   51.370 10 Good
  91 L  -68.410  -40.310    4.190    2.610   70.590  9 New
  92 I  -71.820  -40.040    9.680    2.330   70.570  9 New
  93 N  -64.260  -32.870    6.520    6.730   60.530  8 New
  94 K  -66.440  -41.230    8.940   10.990   50.310 10 Good
  95 M  -65.880  -42.020    6.770    8.220   48.170 10 Good
  96 K  -63.960  -39.180    5.850    8.200   41.060 10 Good
  97 L  -67.440  -36.600    8.990   10.470   37.640 10 Good
  98 A  -64.540  -36.150    5.800    5.740   47.050 10 Good
  99 Q  -64.540  -39.260    6.440   14.960   48.860 10 Good
 100 Q  -70.810  -32.250   12.120   14.990   79.470 10 Good
 101 Y  -75.340  -37.880   17.040    8.430  108.560  7 New
 102 V 9999.000 9999.000    0.000    0.000    0.000  0 None
 103 M 9999.000 9999.000    0.000    0.000    0.000  0 None
 104 T 9999.000 9999.000    0.000    0.000    0.000  0 None
 105 S  -98.860  153.360   31.680   12.050  129.850  6 New
 106 L  -66.160  -30.330    9.630   11.460   96.950  9 Good
 107 Q  -67.970  -39.260    6.440    9.990   64.160 10 Good
 108 Q  -65.500  -40.520    5.120    9.300   41.410  9 Good
 109 E  -66.490  -42.270    7.190    8.970   38.730 10 Good
 110 Y  -65.580  -36.740   10.740    3.380   54.000  9 New
 111 K  -68.370  -40.940    5.760    7.440   71.200 10 Good
 112 K  -67.470  -38.180    4.740    9.180   84.310 10 Good
 113 Q  -65.590  -39.150    9.230    5.280   80.440 10 Good
 114 M  -65.020  -39.940    7.900    9.900   97.270 10 Good
 115 L  -70.290  -33.380   11.280   18.060   92.210 10 Good
 116 T  -67.770  -35.370    4.310    5.510   73.420 10 Good
 117 A  -65.430  -38.700    6.660    9.640   42.960 10 Good
 118 A  -66.990  -41.270    4.670    4.500   39.550 10 Good
 119 H  -66.400  -38.440    7.210    8.750   39.940 10 Good
 120 A  -65.270  -39.770    9.380    8.190   40.480 10 Good
 121 L  -63.190  -41.110    4.380    7.490   38.550 10 Good
 122 A  -66.120  -44.180    4.550    7.260   40.010 10 Good
 123 V  -67.110  -37.570    7.710    8.460   40.220 10 Good
 124 D  -68.270  -35.150    8.300    4.540   49.280 10 Good
 125 A  -66.130  -37.110    6.300    8.400   55.390 10 Good
 126 K  -66.960  -37.870    8.670    9.590   54.160 10 Good
 127 N  -63.360  -39.110    7.950    7.750   45.780 10 Good
 128 L  -67.600  -37.840    5.950    8.010   44.920 10 Good
 129 L  -63.850  -38.820    7.190   11.000   46.930 10 Good
 130 D  -63.990  -36.930    9.220    6.020   46.310  9 New
 131 V  -67.040  -39.590    6.980    3.010   41.710  9 New
 132 I  -66.720  -42.220    6.100    5.540   42.460  9 New
 133 D  -64.770  -35.510    7.500    6.690   37.920 10 Good
 134 Q  -65.490  -41.100    6.480    8.070   38.150 10 Good
 135 A  -67.590  -39.640    5.600    8.390   45.550 10 Good
 136 R  -68.430  -40.190   10.120    7.590   47.080 10 Good
 137 L  -64.370  -36.860    7.140   16.390   46.380 10 Good
 138 K  -63.990  -38.710    9.000   18.710   39.850 10 Good
 139 M  -68.260  -29.920    7.850   16.110   42.290  9 New
 140 I  -70.680  -28.540   16.850   15.820   44.630  8 New
 141 S  -82.610  -21.750   18.130   21.210   46.440  7 New
 142 Q  -93.860  152.500   35.970   11.020   44.500  8 New
 143 S  -97.900  145.060   26.150   24.770   44.170  7 New
 144 R -106.260  113.910   22.900   23.640   56.570  9 New
 145 P  -57.900  140.980    7.350    6.660   57.640  9 New
 146 H 9999.000 9999.000    0.000    0.000    0.000  0 None


! resid 999 contains the four atoms which define the tensor
! the coordinates of resid 999 are appended to the pdb
! use our pdf file for the tensor
!
! the data are in the format:
! assign (atomselection) value error


assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  18  and name N   )
       ( resid  18  and name HN  )   3.9000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  22  and name N   )
       ( resid  22  and name HN  )   4.500  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  23  and name N   )
       ( resid  23  and name HN  )   1.900  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  24  and name N   )
       ( resid  24  and name HN  )   1.700  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  27  and name N   )
       ( resid  27  and name HN  )   4.5000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  31  and name N   )
       ( resid  31  and name HN  )  -2.5000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  32  and name N   )
       ( resid  32  and name HN  )   5.6000  0.2000 
       
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  48  and name N   )
       ( resid  48  and name HN  )   1.8000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  50  and name N   )
       ( resid  50  and name HN  )   0.6000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  53  and name N   )
       ( resid  53  and name HN  )   6.6000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  54  and name N   )
       ( resid  54  and name HN  )   0.3000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  56  and name N   )
       ( resid  56  and name HN  )   3.1000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  57  and name N   )
       ( resid  57  and name HN  )   0.5000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  58  and name N   )
       ( resid  58  and name HN  )   5.2000  0.2000

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  59  and name N   )
       ( resid  59  and name HN  )   6.1000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  61  and name N   )
       ( resid  61  and name HN  )   0.8000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  62  and name N   )
       ( resid  62  and name HN  )   0.8000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  64  and name N   )
       ( resid  64  and name HN  )   1.3000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  65  and name N   )
       ( resid  65  and name HN  )   2.0000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  75  and name N   )
       ( resid  75  and name HN  )   5.2000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  76  and name N   )
       ( resid  76  and name HN  )   3.7000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  80  and name N   )
       ( resid  80  and name HN  )  -2.1000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  84  and name N   )
       ( resid  84  and name HN  )   2.7000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  85  and name N   )
       ( resid  85  and name HN  )  -1.7000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  87  and name N   )
       ( resid  87  and name HN  )   5.2000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  88  and name N   )
       ( resid  88  and name HN  )   2.9000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  89  and name N   )
       ( resid  89  and name HN  )   2.0000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  90  and name N   )
       ( resid  90  and name HN  )   0.1000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  93  and name N   )
       ( resid  93  and name HN  )   4.0000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  94  and name N   )
       ( resid  94  and name HN  )   1.5000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  97  and name N   )
       ( resid  97  and name HN  )  -1.0000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 108  and name N   )
       ( resid 108  and name HN  )  -0.8000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 109  and name N   )
       ( resid 109  and name HN  )   3.4000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 110  and name N   )
       ( resid 110  and name HN  )   9.0000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 111  and name N   )
       ( resid 111  and name HN  )   0.3000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 113  and name N   )
       ( resid 113  and name HN  )  -0.2000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 117  and name N   )
       ( resid 117  and name HN  )   5.9000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 121  and name N   )
       ( resid 121  and name HN  )   4.7000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 122  and name N   )
       ( resid 122  and name HN  )   5.9000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 123  and name N   )
       ( resid 123  and name HN  )   0.4000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 124  and name N   )
       ( resid 124  and name HN  )   6.8000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 125  and name N   )
       ( resid 125  and name HN  )   4.4000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 126  and name N   )
       ( resid 126  and name HN  )  -2.1000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 128  and name N   )
       ( resid 128  and name HN  )   0.3000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 130  and name N   )
       ( resid 130  and name HN  )   6.3000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 131  and name N   )
       ( resid 131  and name HN  )   5.3000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 133  and name N   )
       ( resid 133  and name HN  )   5.0000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 134  and name N   )
       ( resid 134  and name HN  )   8.5000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 135  and name N   )
       ( resid 135  and name HN  )  -0.5000  0.2000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 136  and name N   )
       ( resid 136  and name HN  )  -5.9000  0.2000


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG 920           H        ARG 920  -8.258 -20.883  -2.254
    2    HA   ARG 920           HA       ARG 920  -8.697 -20.368   0.614
    3   1HB   ARG 920          HB1       ARG 920  -6.338 -20.621   0.094
    4   2HB   ARG 920          HB2       ARG 920  -6.484 -19.450  -1.210
    5   1HG   ARG 920          HG1       ARG 920  -5.524 -18.224   0.473
    6   2HG   ARG 920          HG2       ARG 920  -7.237 -17.811   0.600
    7   1HD   ARG 920          HD1       ARG 920  -5.625 -19.666   2.336
    8   2HD   ARG 920          HD2       ARG 920  -6.392 -18.157   2.798
    9    HE   ARG 920           HE       ARG 920  -7.963 -20.530   2.031
   10   1HH1  ARG 920          2HH1      ARG 920  -7.257 -17.887   4.214
   11   2HH1  ARG 920          1HH1      ARG 920  -8.591 -18.226   5.268
   12   1HH2  ARG 920          2HH2      ARG 920  -9.716 -20.995   3.414
   13   2HH2  ARG 920          1HH2      ARG 920  -9.999 -19.995   4.805
   14    H    SER 921           H        SER 921 -10.376 -18.983   0.780
   15    HA   SER 921           HA       SER 921 -10.928 -16.848  -0.917
   16   1HB   SER 921          HB1       SER 921 -11.208 -16.868   2.101
   17   2HB   SER 921          HB2       SER 921 -12.113 -15.863   0.970
   18    HG   SER 921           HG       SER 921 -12.619 -18.178   0.095
   19    H    ASN 922           H        ASN 922 -10.117 -14.739  -1.002
   20    HA   ASN 922           HA       ASN 922  -7.409 -14.514  -0.489
   21   1HB   ASN 922          HB1       ASN 922  -8.877 -12.024  -1.010
   22   2HB   ASN 922          HB2       ASN 922  -7.462 -12.683  -1.826
   23   1HD2  ASN 922          2HD2      ASN 922  -7.732 -14.266  -3.379
   24   2HD2  ASN 922          1HD2      ASN 922  -9.225 -14.492  -4.212
   25    H    ASP 923           H        ASP 923  -7.150 -14.818   1.614
   26    HA   ASP 923           HA       ASP 923  -8.514 -13.960   3.774
   27   1HB   ASP 923          HB1       ASP 923  -6.486 -15.573   3.462
   28   2HB   ASP 923          HB2       ASP 923  -5.524 -14.163   3.886
   29    H    LYS 924           H        LYS 924  -7.145 -12.709   5.558
   30    HA   LYS 924           HA       LYS 924  -7.668 -10.044   5.386
   31   1HB   LYS 924          HB1       LYS 924  -6.826 -11.556   7.338
   32   2HB   LYS 924          HB2       LYS 924  -5.235 -10.983   6.868
   33   1HG   LYS 924          HG1       LYS 924  -7.438  -9.045   7.433
   34   2HG   LYS 924          HG2       LYS 924  -6.525  -9.780   8.750
   35   1HD   LYS 924          HD1       LYS 924  -4.450  -8.923   7.793
   36   2HD   LYS 924          HD2       LYS 924  -5.356  -8.203   6.462
   37   1HE   LYS 924          HE1       LYS 924  -4.792  -6.555   8.191
   38   2HE   LYS 924          HE2       LYS 924  -6.535  -6.756   8.001
   39   1HZ   LYS 924          HZ1       LYS 924  -5.503  -6.712  10.359
   40   2HZ   LYS 924          HZ2       LYS 924  -6.718  -7.840  10.011
   41   3HZ   LYS 924          HZ3       LYS 924  -5.091  -8.323  10.040
   42    H    VAL 925           H        VAL 925  -5.085 -11.707   3.863
   43    HA   VAL 925           HA       VAL 925  -3.288  -9.647   3.350
   44    HB   VAL 925           HB       VAL 925  -2.833 -11.021   1.188
   45   1HG1  VAL 925          1HG1      VAL 925  -1.429 -11.104   3.188
   46   2HG1  VAL 925          2HG1      VAL 925  -2.538 -12.250   3.942
   47   3HG1  VAL 925          3HG1      VAL 925  -1.623 -12.720   2.509
   48   1HG2  VAL 925          1HG2      VAL 925  -4.980 -12.190   1.123
   49   2HG2  VAL 925          2HG2      VAL 925  -3.643 -13.329   1.280
   50   3HG2  VAL 925          3HG2      VAL 925  -4.634 -12.934   2.684
   51    H    TYR 926           H        TYR 926  -6.101 -10.768   1.278
   52    HA   TYR 926           HA       TYR 926  -5.452  -8.612  -0.616
   53   1HB   TYR 926          HB1       TYR 926  -6.291 -10.633  -1.579
   54   2HB   TYR 926          HB2       TYR 926  -7.643 -10.714  -0.458
   55    HD1  TYR 926           HD1      TYR 926  -6.272  -8.692  -3.279
   56    HD2  TYR 926           HD2      TYR 926  -9.710  -9.832  -1.044
   57    HE1  TYR 926           HE1      TYR 926  -7.709  -7.561  -4.923
   58    HE2  TYR 926           HE2      TYR 926 -11.154  -8.703  -2.678
   59    HH   TYR 926           HH       TYR 926 -10.945  -6.841  -4.330
   60    H    GLU 927           H        GLU 927  -7.433  -9.249   2.098
   61    HA   GLU 927           HA       GLU 927  -9.498  -7.383   1.793
   62   1HB   GLU 927          HB1       GLU 927  -8.223  -8.655   4.209
   63   2HB   GLU 927          HB2       GLU 927  -9.644  -7.633   4.316
   64   1HG   GLU 927          HG1       GLU 927 -10.835  -9.187   2.822
   65   2HG   GLU 927          HG2       GLU 927  -9.403 -10.216   2.795
   66    H    ASN 928           H        ASN 928  -6.585  -7.144   3.843
   67    HA   ASN 928           HA       ASN 928  -7.236  -4.473   4.598
   68   1HB   ASN 928          HB1       ASN 928  -6.046  -6.057   6.068
   69   2HB   ASN 928          HB2       ASN 928  -4.656  -5.989   4.991
   70   1HD2  ASN 928          2HD2      ASN 928  -6.693  -3.254   5.865
   71   2HD2  ASN 928          1HD2      ASN 928  -5.466  -2.408   6.735
   72    H    VAL 929           H        VAL 929  -5.015  -5.865   2.251
   73    HA   VAL 929           HA       VAL 929  -3.556  -3.569   1.642
   74    HB   VAL 929           HB       VAL 929  -3.166  -4.636  -0.596
   75   1HG1  VAL 929          1HG1      VAL 929  -1.759  -5.119   1.324
   76   2HG1  VAL 929          2HG1      VAL 929  -2.880  -6.377   1.845
   77   3HG1  VAL 929          3HG1      VAL 929  -1.983  -6.562   0.337
   78   1HG2  VAL 929          1HG2      VAL 929  -4.085  -6.866  -0.951
   79   2HG2  VAL 929          2HG2      VAL 929  -5.044  -6.706   0.521
   80   3HG2  VAL 929          3HG2      VAL 929  -5.358  -5.651  -0.856
   81    H    THR 930           H        THR 930  -6.689  -4.656   0.390
   82    HA   THR 930           HA       THR 930  -7.133  -2.524  -1.385
   83    HB   THR 930           HB       THR 930  -9.159  -3.999   0.328
   84    HG1  THR 930           HG1      THR 930  -8.270  -5.549  -0.927
   85   1HG2  THR 930          1HG2      THR 930 -10.775  -3.354  -1.411
   86   2HG2  THR 930          2HG2      THR 930 -10.076  -1.940  -0.623
   87   3HG2  THR 930          3HG2      THR 930  -9.518  -2.419  -2.225
   88    H    GLY 931           H        GLY 931  -7.550  -2.917   2.054
   89   1HA   GLY 931          HA1       GLY 931  -8.706  -0.483   2.751
   90   2HA   GLY 931          HA2       GLY 931  -7.643  -1.419   3.789
   91    H    LEU 932           H        LEU 932  -5.318  -1.155   1.915
   92    HA   LEU 932           HA       LEU 932  -4.283   1.324   2.815
   93   1HB   LEU 932          HB1       LEU 932  -3.002  -0.771   1.921
   94   2HB   LEU 932          HB2       LEU 932  -3.251  -0.054   0.342
   95    HG   LEU 932           HG       LEU 932  -1.728   1.211   2.638
   96   1HD1  LEU 932          1HD1      LEU 932  -0.751   0.050   0.036
   97   2HD1  LEU 932          2HD1      LEU 932   0.237   0.890   1.232
   98   3HD1  LEU 932          3HD1      LEU 932  -0.527  -0.646   1.640
   99   1HD2  LEU 932          1HD2      LEU 932  -1.069   2.932   1.061
  100   2HD2  LEU 932          2HD2      LEU 932  -2.058   2.190  -0.196
  101   3HD2  LEU 932          3HD2      LEU 932  -2.824   2.896   1.226
  102    H    VAL 933           H        VAL 933  -5.501   0.270  -0.358
  103    HA   VAL 933           HA       VAL 933  -5.328   2.748  -1.662
  104    HB   VAL 933           HB       VAL 933  -7.450   0.633  -2.121
  105   1HG1  VAL 933          1HG1      VAL 933  -7.922   2.722  -3.257
  106   2HG1  VAL 933          2HG1      VAL 933  -6.300   2.741  -3.946
  107   3HG1  VAL 933          3HG1      VAL 933  -7.447   1.489  -4.425
  108   1HG2  VAL 933          1HG2      VAL 933  -5.244  -0.385  -2.150
  109   2HG2  VAL 933          2HG2      VAL 933  -5.914  -0.315  -3.779
  110   3HG2  VAL 933          3HG2      VAL 933  -4.676   0.840  -3.287
  111    H    LYS 934           H        LYS 934  -7.954   1.332   0.266
  112    HA   LYS 934           HA       LYS 934  -9.793   3.431  -0.006
  113   1HB   LYS 934          HB1       LYS 934  -9.488   1.702   2.451
  114   2HB   LYS 934          HB2       LYS 934 -10.935   2.529   1.904
  115   1HG   LYS 934          HG1       LYS 934  -9.610   0.202   0.517
  116   2HG   LYS 934          HG2       LYS 934 -11.037   0.111   1.545
  117   1HD   LYS 934          HD1       LYS 934 -12.022   0.153  -0.523
  118   2HD   LYS 934          HD2       LYS 934 -11.972   1.882  -0.173
  119   1HE   LYS 934          HE1       LYS 934 -10.062   2.190  -1.550
  120   2HE   LYS 934          HE2       LYS 934  -9.808   0.452  -1.699
  121   1HZ   LYS 934          HZ1       LYS 934 -11.745   0.252  -3.038
  122   2HZ   LYS 934          HZ2       LYS 934 -12.210   1.856  -2.746
  123   3HZ   LYS 934          HZ3       LYS 934 -10.827   1.524  -3.676
  124    H    ALA 935           H        ALA 935  -6.977   3.035   1.990
  125    HA   ALA 935           HA       ALA 935  -7.558   5.269   3.700
  126   1HB   ALA 935          HB1       ALA 935  -5.317   4.929   4.585
  127   2HB   ALA 935          HB2       ALA 935  -6.207   3.408   4.514
  128   3HB   ALA 935          HB3       ALA 935  -4.977   3.767   3.302
  129    H    VAL 936           H        VAL 936  -5.910   4.750   0.651
  130    HA   VAL 936           HA       VAL 936  -4.794   7.385   0.700
  131    HB   VAL 936           HB       VAL 936  -3.809   7.007  -1.286
  132   1HG1  VAL 936          1HG1      VAL 936  -3.113   5.207   0.150
  133   2HG1  VAL 936          2HG1      VAL 936  -4.413   4.189  -0.471
  134   3HG1  VAL 936          3HG1      VAL 936  -3.108   4.700  -1.539
  135   1HG2  VAL 936          1HG2      VAL 936  -4.687   5.639  -3.137
  136   2HG2  VAL 936          2HG2      VAL 936  -6.094   5.238  -2.155
  137   3HG2  VAL 936          3HG2      VAL 936  -5.816   6.905  -2.656
  138    H    ILE 937           H        ILE 937  -7.827   6.007   0.047
  139    HA   ILE 937           HA       ILE 937  -8.954   8.186  -1.387
  140    HB   ILE 937           HB       ILE 937 -10.293   6.228   0.492
  141   1HG1  ILE 937          1HG1      ILE 937 -10.131   6.296  -2.530
  142   2HG1  ILE 937          2HG1      ILE 937  -9.264   5.180  -1.481
  143   1HG2  ILE 937          1HG2      ILE 937 -11.513   8.180  -1.460
  144   2HG2  ILE 937          2HG2      ILE 937 -12.397   6.922  -0.596
  145   3HG2  ILE 937          3HG2      ILE 937 -11.635   8.236   0.299
  146   1HD1  ILE 937          1HD1      ILE 937 -12.254   5.347  -1.791
  147   2HD1  ILE 937          2HD1      ILE 937 -11.199   4.123  -2.495
  148   3HD1  ILE 937          3HD1      ILE 937 -11.384   4.224  -0.746
  149    H    GLU 938           H        GLU 938  -8.473   7.419   2.014
  150    HA   GLU 938           HA       GLU 938  -9.569   9.643   3.236
  151   1HB   GLU 938          HB1       GLU 938  -6.919   8.359   3.942
  152   2HB   GLU 938          HB2       GLU 938  -7.885   9.383   4.998
  153   1HG   GLU 938          HG1       GLU 938  -8.647   6.669   3.945
  154   2HG   GLU 938          HG2       GLU 938  -8.200   7.075   5.601
  155    H    MET 939           H        MET 939  -6.469   9.333   1.565
  156    HA   MET 939           HA       MET 939  -5.454  11.889   2.068
  157   1HB   MET 939          HB1       MET 939  -4.074  10.236   0.979
  158   2HB   MET 939          HB2       MET 939  -5.189  10.126  -0.377
  159   1HG   MET 939          HG1       MET 939  -4.659  12.486  -0.931
  160   2HG   MET 939          HG2       MET 939  -3.447  12.470   0.348
  161   1HE   MET 939          HE1       MET 939  -1.218  11.036   0.270
  162   2HE   MET 939          HE2       MET 939  -2.215   9.587   0.146
  163   3HE   MET 939          HE3       MET 939  -0.879   9.837  -0.978
  164    H    SER 940           H        SER 940  -7.674  10.751  -0.419
  165    HA   SER 940           HA       SER 940  -7.951  13.224  -1.772
  166   1HB   SER 940          HB1       SER 940  -9.920  10.931  -1.695
  167   2HB   SER 940          HB2       SER 940  -9.761  12.158  -2.952
  168    HG   SER 940           HG       SER 940  -8.259   9.875  -2.493
  169    H    SER 941           H        SER 941  -9.678  11.736   0.951
  170    HA   SER 941           HA       SER 941 -11.853  13.630   0.748
  171   1HB   SER 941          HB1       SER 941 -12.565  12.551   2.937
  172   2HB   SER 941          HB2       SER 941 -12.460  11.464   1.554
  173    HG   SER 941           HG       SER 941 -11.277  10.347   2.901
  174    H    LYS 942           H        LYS 942  -8.992  13.108   2.628
  175    HA   LYS 942           HA       LYS 942  -9.213  15.005   4.610
  176   1HB   LYS 942          HB1       LYS 942  -7.041  13.591   3.227
  177   2HB   LYS 942          HB2       LYS 942  -6.564  15.099   4.001
  178   1HG   LYS 942          HG1       LYS 942  -8.108  12.956   5.429
  179   2HG   LYS 942          HG2       LYS 942  -6.339  13.025   5.400
  180   1HD   LYS 942          HD1       LYS 942  -6.243  14.889   6.671
  181   2HD   LYS 942          HD2       LYS 942  -7.789  15.506   6.069
  182   1HE   LYS 942          HE1       LYS 942  -7.998  14.911   8.412
  183   2HE   LYS 942          HE2       LYS 942  -8.957  13.806   7.432
  184   1HZ   LYS 942          HZ1       LYS 942  -6.310  13.260   8.655
  185   2HZ   LYS 942          HZ2       LYS 942  -7.792  12.569   9.090
  186   3HZ   LYS 942          HZ3       LYS 942  -7.100  12.202   7.589
  187    H    ILE 943           H        ILE 943  -7.973  15.449   1.297
  188    HA   ILE 943           HA       ILE 943  -7.193  18.125   1.828
  189    HB   ILE 943           HB       ILE 943  -6.101  16.803   0.067
  190   1HG1  ILE 943          1HG1      ILE 943  -7.486  19.286  -0.969
  191   2HG1  ILE 943          2HG1      ILE 943  -5.981  19.239  -0.058
  192   1HG2  ILE 943          1HG2      ILE 943  -8.027  15.576  -0.762
  193   2HG2  ILE 943          2HG2      ILE 943  -8.702  17.061  -1.432
  194   3HG2  ILE 943          3HG2      ILE 943  -7.198  16.406  -2.080
  195   1HD1  ILE 943          1HD1      ILE 943  -6.411  18.075  -2.799
  196   2HD1  ILE 943          2HD1      ILE 943  -5.583  19.588  -2.431
  197   3HD1  ILE 943          3HD1      ILE 943  -4.900  18.054  -1.889
  198    H    GLN 944           H        GLN 944 -10.168  16.649   0.861
  199    HA   GLN 944           HA       GLN 944 -11.352  18.739  -0.545
  200   1HB   GLN 944          HB1       GLN 944 -12.743  16.746   1.245
  201   2HB   GLN 944          HB2       GLN 944 -13.495  17.699  -0.032
  202   1HG   GLN 944          HG1       GLN 944 -12.082  16.610  -1.686
  203   2HG   GLN 944          HG2       GLN 944 -11.316  15.663  -0.416
  204   1HE2  GLN 944          2HE2      GLN 944 -12.673  14.713  -2.725
  205   2HE2  GLN 944          1HE2      GLN 944 -14.009  13.760  -2.177
  206    HA   PRO 945           HA       PRO 945 -12.945  20.887   3.270
  207   1HB   PRO 945          HB1       PRO 945 -13.127  19.765   5.686
  208   2HB   PRO 945          HB2       PRO 945 -14.235  19.335   4.378
  209   1HG   PRO 945          HG1       PRO 945 -11.995  17.790   5.531
  210   2HG   PRO 945          HG2       PRO 945 -13.460  17.216   4.717
  211   1HD   PRO 945          HD1       PRO 945 -10.839  17.544   3.607
  212   2HD   PRO 945          HD2       PRO 945 -12.313  16.999   2.787
  213    H    ALA 946           H        ALA 946  -9.913  19.313   3.762
  214    HA   ALA 946           HA       ALA 946  -9.207  21.144   5.943
  215   1HB   ALA 946          HB1       ALA 946  -7.417  19.582   6.465
  216   2HB   ALA 946          HB2       ALA 946  -8.983  18.771   6.429
  217   3HB   ALA 946          HB3       ALA 946  -7.866  18.593   5.076
  218    HA   PRO 947           HA       PRO 947  -6.214  23.170   3.389
  219   1HB   PRO 947          HB1       PRO 947  -4.862  24.475   5.299
  220   2HB   PRO 947          HB2       PRO 947  -6.570  24.795   4.991
  221   1HG   PRO 947          HG1       PRO 947  -5.293  23.334   7.225
  222   2HG   PRO 947          HG2       PRO 947  -6.816  24.238   7.194
  223   1HD   PRO 947          HD1       PRO 947  -6.446  21.420   6.967
  224   2HD   PRO 947          HD2       PRO 947  -7.964  22.328   6.844
  225    HA   PRO 948           HA       PRO 948  -2.105  21.564   2.779
  226   1HB   PRO 948          HB1       PRO 948  -0.873  23.847   4.261
  227   2HB   PRO 948          HB2       PRO 948  -0.444  23.167   2.685
  228   1HG   PRO 948          HG1       PRO 948  -1.829  25.415   2.806
  229   2HG   PRO 948          HG2       PRO 948  -2.257  24.171   1.614
  230   1HD   PRO 948          HD1       PRO 948  -3.611  24.896   4.170
  231   2HD   PRO 948          HD2       PRO 948  -4.313  24.367   2.628
  232    H    GLU 949           H        GLU 949  -2.525  22.739   6.083
  233    HA   GLU 949           HA       GLU 949  -0.496  21.300   7.318
  234   1HB   GLU 949          HB1       GLU 949  -1.842  21.357   9.337
  235   2HB   GLU 949          HB2       GLU 949  -1.860  22.913   8.517
  236   1HG   GLU 949          HG1       GLU 949  -4.074  22.488   7.677
  237   2HG   GLU 949          HG2       GLU 949  -4.048  20.856   8.344
  238    H    GLU 950           H        GLU 950  -3.505  20.227   5.991
  239    HA   GLU 950           HA       GLU 950  -3.177  17.613   7.234
  240   1HB   GLU 950          HB1       GLU 950  -5.499  18.843   5.764
  241   2HB   GLU 950          HB2       GLU 950  -5.437  17.135   6.183
  242   1HG   GLU 950          HG1       GLU 950  -5.273  19.400   8.161
  243   2HG   GLU 950          HG2       GLU 950  -6.739  18.501   7.774
  244    H    TYR 951           H        TYR 951  -2.382  19.227   4.427
  245    HA   TYR 951           HA       TYR 951  -2.530  17.274   2.449
  246   1HB   TYR 951          HB1       TYR 951  -0.653  19.513   3.037
  247   2HB   TYR 951          HB2       TYR 951  -0.119  18.313   1.869
  248    HD1  TYR 951           HD1      TYR 951  -0.115  19.426  -0.110
  249    HD2  TYR 951           HD2      TYR 951  -3.560  19.715   2.363
  250    HE1  TYR 951           HE1      TYR 951  -1.267  20.625  -1.892
  251    HE2  TYR 951           HE2      TYR 951  -4.740  20.920   0.573
  252    HH   TYR 951           HH       TYR 951  -4.249  22.249  -1.392
  253    H    VAL 952           H        VAL 952  -0.110  17.798   5.002
  254    HA   VAL 952           HA       VAL 952   1.275  15.406   4.283
  255    HB   VAL 952           HB       VAL 952   2.806  16.636   5.353
  256   1HG1  VAL 952          1HG1      VAL 952   1.429  18.503   5.942
  257   2HG1  VAL 952          2HG1      VAL 952   0.708  17.610   7.282
  258   3HG1  VAL 952          3HG1      VAL 952   2.412  18.060   7.336
  259   1HG2  VAL 952          1HG2      VAL 952   3.252  15.838   7.629
  260   2HG2  VAL 952          2HG2      VAL 952   1.624  15.162   7.699
  261   3HG2  VAL 952          3HG2      VAL 952   2.792  14.530   6.540
  262    HA   PRO 953           HA       PRO 953  -1.191  13.348   8.094
  263   1HB   PRO 953          HB1       PRO 953  -3.597  15.045   7.652
  264   2HB   PRO 953          HB2       PRO 953  -3.046  14.231   9.129
  265   1HG   PRO 953          HG1       PRO 953  -2.635  16.819   8.852
  266   2HG   PRO 953          HG2       PRO 953  -1.345  15.783   9.501
  267   1HD   PRO 953          HD1       PRO 953  -1.632  16.974   6.776
  268   2HD   PRO 953          HD2       PRO 953  -0.174  16.749   7.759
  269    H    MET 954           H        MET 954  -2.765  14.613   5.117
  270    HA   MET 954           HA       MET 954  -4.491  12.389   4.855
  271   1HB   MET 954          HB1       MET 954  -4.923  13.086   2.614
  272   2HB   MET 954          HB2       MET 954  -4.712  14.547   3.565
  273   1HG   MET 954          HG1       MET 954  -2.436  14.764   2.727
  274   2HG   MET 954          HG2       MET 954  -2.652  13.304   1.763
  275   1HE   MET 954          HE1       MET 954  -5.291  16.114   2.456
  276   2HE   MET 954          HE2       MET 954  -3.777  17.009   2.335
  277   3HE   MET 954          HE3       MET 954  -5.017  17.201   1.096
  278    H    VAL 955           H        VAL 955  -1.264  13.061   3.559
  279    HA   VAL 955           HA       VAL 955  -0.818  10.485   2.559
  280    HB   VAL 955           HB       VAL 955   1.228  12.430   3.633
  281   1HG1  VAL 955          1HG1      VAL 955   2.807  11.156   2.257
  282   2HG1  VAL 955          2HG1      VAL 955   2.096  10.158   3.525
  283   3HG1  VAL 955          3HG1      VAL 955   1.529  10.006   1.863
  284   1HG2  VAL 955          1HG2      VAL 955  -0.135  13.335   1.814
  285   2HG2  VAL 955          2HG2      VAL 955   1.517  13.026   1.275
  286   3HG2  VAL 955          3HG2      VAL 955   0.222  11.915   0.832
  287    H    LYS 956           H        LYS 956  -0.735  11.732   5.813
  288    HA   LYS 956           HA       LYS 956   0.687   9.563   6.983
  289   1HB   LYS 956          HB1       LYS 956   0.196  11.744   8.110
  290   2HB   LYS 956          HB2       LYS 956  -1.486  11.249   8.237
  291   1HG   LYS 956          HG1       LYS 956  -0.434  10.864  10.333
  292   2HG   LYS 956          HG2       LYS 956  -0.748   9.299   9.584
  293   1HD   LYS 956          HD1       LYS 956   1.583   9.191   8.841
  294   2HD   LYS 956          HD2       LYS 956   1.893  10.758   9.588
  295   1HE   LYS 956          HE1       LYS 956   1.119   8.199  10.981
  296   2HE   LYS 956          HE2       LYS 956   2.676   9.022  11.059
  297   1HZ   LYS 956          HZ1       LYS 956   1.443  10.953  12.041
  298   2HZ   LYS 956          HZ2       LYS 956   0.087   9.937  12.177
  299   3HZ   LYS 956          HZ3       LYS 956   1.507   9.569  13.021
  300    H    GLU 957           H        GLU 957  -2.661  10.149   6.181
  301    HA   GLU 957           HA       GLU 957  -3.879   7.897   7.200
  302   1HB   GLU 957          HB1       GLU 957  -4.502   9.115   4.498
  303   2HB   GLU 957          HB2       GLU 957  -5.595   8.178   5.505
  304   1HG   GLU 957          HG1       GLU 957  -4.427  10.850   6.247
  305   2HG   GLU 957          HG2       GLU 957  -6.032  10.596   5.569
  306    H    VAL 958           H        VAL 958  -2.313   8.165   3.943
  307    HA   VAL 958           HA       VAL 958  -2.510   5.375   3.465
  308    HB   VAL 958           HB       VAL 958  -1.140   5.647   1.573
  309   1HG1  VAL 958          1HG1      VAL 958  -3.264   6.782   1.378
  310   2HG1  VAL 958          2HG1      VAL 958  -2.564   8.262   2.033
  311   3HG1  VAL 958          3HG1      VAL 958  -2.025   7.647   0.471
  312   1HG2  VAL 958          1HG2      VAL 958   0.318   7.560   1.169
  313   2HG2  VAL 958          2HG2      VAL 958  -0.098   8.222   2.751
  314   3HG2  VAL 958          3HG2      VAL 958   0.785   6.699   2.636
  315    H    GLY 959           H        GLY 959  -0.245   7.256   5.332
  316   1HA   GLY 959          HA1       GLY 959   1.890   5.379   5.296
  317   2HA   GLY 959          HA2       GLY 959   1.651   6.637   6.494
  318    H    LEU 960           H        LEU 960  -0.622   6.008   7.715
  319    HA   LEU 960           HA       LEU 960  -0.197   3.745   9.300
  320   1HB   LEU 960          HB1       LEU 960  -1.709   5.787   9.696
  321   2HB   LEU 960          HB2       LEU 960  -2.904   4.949   8.733
  322    HG   LEU 960           HG       LEU 960  -3.088   4.815  11.286
  323   1HD1  LEU 960          1HD1      LEU 960  -4.411   3.436   9.779
  324   2HD1  LEU 960          2HD1      LEU 960  -3.095   2.266   9.684
  325   3HD1  LEU 960          3HD1      LEU 960  -3.929   2.532  11.215
  326   1HD2  LEU 960          1HD2      LEU 960  -0.853   2.846  10.835
  327   2HD2  LEU 960          2HD2      LEU 960  -0.777   4.329  11.785
  328   3HD2  LEU 960          3HD2      LEU 960  -1.795   2.993  12.319
  329    H    ALA 961           H        ALA 961  -1.849   4.136   6.280
  330    HA   ALA 961           HA       ALA 961  -3.185   1.698   6.120
  331   1HB   ALA 961          HB1       ALA 961  -1.855   3.188   3.868
  332   2HB   ALA 961          HB2       ALA 961  -3.067   1.918   3.697
  333   3HB   ALA 961          HB3       ALA 961  -3.493   3.445   4.468
  334    H    LEU 962           H        LEU 962   0.135   2.369   4.774
  335    HA   LEU 962           HA       LEU 962   0.680  -0.336   4.293
  336   1HB   LEU 962          HB1       LEU 962   1.993   1.508   3.363
  337   2HB   LEU 962          HB2       LEU 962   2.646   1.852   4.952
  338    HG   LEU 962           HG       LEU 962   4.088   0.557   3.243
  339   1HD1  LEU 962          1HD1      LEU 962   3.759  -0.505   6.043
  340   2HD1  LEU 962          2HD1      LEU 962   5.165  -0.740   5.005
  341   3HD1  LEU 962          3HD1      LEU 962   4.742   0.880   5.564
  342   1HD2  LEU 962          1HD2      LEU 962   2.390  -1.071   2.609
  343   2HD2  LEU 962          2HD2      LEU 962   3.814  -1.858   3.287
  344   3HD2  LEU 962          3HD2      LEU 962   2.355  -1.687   4.263
  345    H    ARG 963           H        ARG 963   1.351   1.561   7.280
  346    HA   ARG 963           HA       ARG 963   2.600  -0.363   8.791
  347   1HB   ARG 963          HB1       ARG 963   0.397   1.513   9.669
  348   2HB   ARG 963          HB2       ARG 963   1.428   0.616  10.768
  349   1HG   ARG 963          HG1       ARG 963   2.452   2.617   8.770
  350   2HG   ARG 963          HG2       ARG 963   2.051   3.005  10.442
  351   1HD   ARG 963          HD1       ARG 963   4.322   2.632  10.571
  352   2HD   ARG 963          HD2       ARG 963   3.668   1.056  11.009
  353    HE   ARG 963           HE       ARG 963   4.247   1.350   8.203
  354   1HH1  ARG 963          2HH1      ARG 963   5.526   0.473  11.336
  355   2HH1  ARG 963          1HH1      ARG 963   6.831  -0.475  10.687
  356   1HH2  ARG 963          2HH2      ARG 963   6.001   0.145   7.337
  357   2HH2  ARG 963          1HH2      ARG 963   7.113  -0.632   8.412
  358    H    THR 964           H        THR 964  -0.913   0.105   8.696
  359    HA   THR 964           HA       THR 964  -1.724  -2.232   9.926
  360    HB   THR 964           HB       THR 964  -3.171  -1.078   7.542
  361    HG1  THR 964           HG1      THR 964  -2.810   0.699   8.780
  362   1HG2  THR 964          1HG2      THR 964  -4.154  -2.344  10.104
  363   2HG2  THR 964          2HG2      THR 964  -5.167  -1.736   8.795
  364   3HG2  THR 964          3HG2      THR 964  -4.114  -3.127   8.526
  365    H    LEU 965           H        LEU 965  -0.810  -1.773   6.551
  366    HA   LEU 965           HA       LEU 965  -1.494  -4.395   5.681
  367   1HB   LEU 965          HB1       LEU 965  -0.063  -2.098   4.538
  368   2HB   LEU 965          HB2       LEU 965   0.433  -3.664   3.923
  369    HG   LEU 965           HG       LEU 965  -1.991  -4.118   3.415
  370   1HD1  LEU 965          1HD1      LEU 965  -3.008  -2.493   4.879
  371   2HD1  LEU 965          2HD1      LEU 965  -2.235  -1.174   4.000
  372   3HD1  LEU 965          3HD1      LEU 965  -3.463  -2.165   3.210
  373   1HD2  LEU 965          1HD2      LEU 965  -0.451  -3.555   1.669
  374   2HD2  LEU 965          2HD2      LEU 965  -1.964  -2.699   1.384
  375   3HD2  LEU 965          3HD2      LEU 965  -0.578  -1.838   2.049
  376    H    LEU 966           H        LEU 966   1.304  -3.027   7.191
  377    HA   LEU 966           HA       LEU 966   3.187  -5.040   6.676
  378   1HB   LEU 966          HB1       LEU 966   3.654  -2.881   7.856
  379   2HB   LEU 966          HB2       LEU 966   2.874  -3.538   9.279
  380    HG   LEU 966           HG       LEU 966   5.203  -4.998   8.087
  381   1HD1  LEU 966          1HD1      LEU 966   5.401  -2.637   9.953
  382   2HD1  LEU 966          2HD1      LEU 966   6.728  -3.691   9.463
  383   3HD1  LEU 966          3HD1      LEU 966   5.927  -2.669   8.270
  384   1HD2  LEU 966          1HD2      LEU 966   4.195  -4.634  10.910
  385   2HD2  LEU 966          2HD2      LEU 966   3.949  -6.056   9.896
  386   3HD2  LEU 966          3HD2      LEU 966   5.573  -5.623  10.427
  387    H    ALA 967           H        ALA 967   0.556  -4.886   9.017
  388    HA   ALA 967           HA       ALA 967   1.056  -7.357  10.295
  389   1HB   ALA 967          HB1       ALA 967  -0.544  -5.719  11.167
  390   2HB   ALA 967          HB2       ALA 967  -1.607  -6.030   9.794
  391   3HB   ALA 967          HB3       ALA 967  -1.286  -7.307  10.968
  392    H    THR 968           H        THR 968  -0.780  -6.529   7.387
  393    HA   THR 968           HA       THR 968  -1.597  -9.143   6.698
  394    HB   THR 968           HB       THR 968  -1.147  -6.638   5.105
  395    HG1  THR 968           HG1      THR 968  -3.560  -8.032   5.102
  396   1HG2  THR 968          1HG2      THR 968  -0.508  -8.470   3.611
  397   2HG2  THR 968          2HG2      THR 968  -2.029  -9.291   3.963
  398   3HG2  THR 968          3HG2      THR 968  -2.038  -7.745   3.115
  399    H    VAL 969           H        VAL 969   1.311  -7.316   5.864
  400    HA   VAL 969           HA       VAL 969   2.659  -9.180   4.336
  401    HB   VAL 969           HB       VAL 969   3.863  -7.302   6.380
  402   1HG1  VAL 969          1HG1      VAL 969   5.163  -8.722   4.059
  403   2HG1  VAL 969          2HG1      VAL 969   5.924  -7.482   5.055
  404   3HG1  VAL 969          3HG1      VAL 969   5.463  -9.027   5.770
  405   1HG2  VAL 969          1HG2      VAL 969   2.551  -6.109   4.750
  406   2HG2  VAL 969          2HG2      VAL 969   4.265  -5.854   4.416
  407   3HG2  VAL 969          3HG2      VAL 969   3.333  -6.982   3.431
  408    H    ASP 970           H        ASP 970   2.190  -9.138   7.815
  409    HA   ASP 970           HA       ASP 970   4.036 -11.271   8.348
  410   1HB   ASP 970          HB1       ASP 970   3.476  -9.627  10.084
  411   2HB   ASP 970          HB2       ASP 970   1.795 -10.140  10.043
  412    H    GLU 971           H        GLU 971   0.596 -11.066   7.763
  413    HA   GLU 971           HA       GLU 971  -0.061 -13.774   8.206
  414   1HB   GLU 971          HB1       GLU 971  -1.165 -12.041   5.979
  415   2HB   GLU 971          HB2       GLU 971  -1.950 -13.418   6.738
  416   1HG   GLU 971          HG1       GLU 971  -1.244 -10.893   8.201
  417   2HG   GLU 971          HG2       GLU 971  -2.808 -11.175   7.431
  418    H    SER 972           H        SER 972   0.904 -12.103   5.259
  419    HA   SER 972           HA       SER 972   1.256 -14.425   3.705
  420   1HB   SER 972          HB1       SER 972   0.820 -12.327   2.623
  421   2HB   SER 972          HB2       SER 972   2.292 -11.621   3.307
  422    HG   SER 972           HG       SER 972   3.374 -13.435   2.136
  423    H    LEU 973           H        LEU 973   3.292 -12.888   6.035
  424    HA   LEU 973           HA       LEU 973   5.820 -13.564   5.138
  425   1HB   LEU 973          HB1       LEU 973   5.425 -12.176   7.107
  426   2HB   LEU 973          HB2       LEU 973   4.772 -13.547   7.978
  427    HG   LEU 973           HG       LEU 973   7.071 -14.616   7.729
  428   1HD1  LEU 973          1HD1      LEU 973   7.828 -11.776   7.061
  429   2HD1  LEU 973          2HD1      LEU 973   8.940 -13.106   7.384
  430   3HD1  LEU 973          3HD1      LEU 973   7.904 -13.151   5.957
  431   1HD2  LEU 973          1HD2      LEU 973   6.259 -13.725   9.832
  432   2HD2  LEU 973          2HD2      LEU 973   7.973 -13.359   9.630
  433   3HD2  LEU 973          3HD2      LEU 973   6.766 -12.102   9.361
  434    HA   PRO 974           HA       PRO 974   5.505 -18.038   6.979
  435   1HB   PRO 974          HB1       PRO 974   2.581 -18.351   7.346
  436   2HB   PRO 974          HB2       PRO 974   3.908 -18.943   8.352
  437   1HG   PRO 974          HG1       PRO 974   2.397 -16.904   9.152
  438   2HG   PRO 974          HG2       PRO 974   4.147 -16.921   9.457
  439   1HD   PRO 974          HD1       PRO 974   2.601 -15.451   7.354
  440   2HD   PRO 974          HD2       PRO 974   3.954 -14.887   8.354
  441    H    VAL 975           H        VAL 975   3.022 -16.486   5.052
  442    HA   VAL 975           HA       VAL 975   2.728 -18.768   3.288
  443    HB   VAL 975           HB       VAL 975   1.955 -15.930   2.647
  444   1HG1  VAL 975          1HG1      VAL 975   1.903 -17.503   0.782
  445   2HG1  VAL 975          2HG1      VAL 975   0.888 -18.595   1.723
  446   3HG1  VAL 975          3HG1      VAL 975   0.273 -17.013   1.242
  447   1HG2  VAL 975          1HG2      VAL 975   0.370 -18.026   4.129
  448   2HG2  VAL 975          2HG2      VAL 975   1.001 -16.524   4.808
  449   3HG2  VAL 975          3HG2      VAL 975  -0.254 -16.476   3.568
  450    H    LEU 976           H        LEU 976   5.226 -16.519   3.688
  451    HA   LEU 976           HA       LEU 976   5.894 -16.497   0.885
  452   1HB   LEU 976          HB1       LEU 976   7.600 -14.987   1.271
  453   2HB   LEU 976          HB2       LEU 976   6.337 -14.519   2.377
  454    HG   LEU 976           HG       LEU 976   7.734 -15.809   4.151
  455   1HD1  LEU 976          1HD1      LEU 976   9.834 -15.298   2.046
  456   2HD1  LEU 976          2HD1      LEU 976  10.146 -15.781   3.713
  457   3HD1  LEU 976          3HD1      LEU 976   9.302 -16.879   2.619
  458   1HD2  LEU 976          1HD2      LEU 976   8.646 -13.204   2.944
  459   2HD2  LEU 976          2HD2      LEU 976   7.383 -13.413   4.158
  460   3HD2  LEU 976          3HD2      LEU 976   9.060 -13.783   4.558
  461    HA   PRO 977           HA       PRO 977   9.182 -19.743   2.275
  462   1HB   PRO 977          HB1       PRO 977   8.257 -21.337   4.325
  463   2HB   PRO 977          HB2       PRO 977   9.496 -20.090   4.511
  464   1HG   PRO 977          HG1       PRO 977   6.587 -19.990   5.149
  465   2HG   PRO 977          HG2       PRO 977   7.958 -19.282   6.022
  466   1HD   PRO 977          HD1       PRO 977   6.337 -17.808   4.448
  467   2HD   PRO 977          HD2       PRO 977   8.065 -17.449   4.633
  468    H    ALA 978           H        ALA 978   5.698 -19.884   2.703
  469    HA   ALA 978           HA       ALA 978   5.283 -22.354   1.413
  470   1HB   ALA 978          HB1       ALA 978   3.510 -21.201   2.640
  471   2HB   ALA 978          HB2       ALA 978   3.496 -19.923   1.423
  472   3HB   ALA 978          HB3       ALA 978   3.013 -21.562   0.985
  473    H    SER 979           H        SER 979   4.970 -19.048   0.003
  474    HA   SER 979           HA       SER 979   6.387 -19.815  -2.358
  475   1HB   SER 979          HB1       SER 979   3.384 -19.789  -2.397
  476   2HB   SER 979          HB2       SER 979   4.302 -19.406  -3.859
  477    HG   SER 979           HG       SER 979   5.026 -21.703  -2.434
  478    H    THR 980           H        THR 980   4.371 -17.449  -0.714
  479    HA   THR 980           HA       THR 980   4.275 -15.412  -2.617
  480    HB   THR 980           HB       THR 980   4.443 -14.840   0.325
  481    HG1  THR 980           HG1      THR 980   2.212 -15.414   0.368
  482   1HG2  THR 980          1HG2      THR 980   2.787 -13.674  -1.920
  483   2HG2  THR 980          2HG2      THR 980   2.810 -13.119  -0.246
  484   3HG2  THR 980          3HG2      THR 980   4.250 -12.949  -1.251
  485    H    HIS 981           H        HIS 981   7.043 -16.363  -0.805
  486    HA   HIS 981           HA       HIS 981   8.373 -14.066  -0.230
  487   1HB   HIS 981          HB1       HIS 981  10.468 -15.289  -0.411
  488   2HB   HIS 981          HB2       HIS 981   9.228 -16.299   0.316
  489    HD1  HIS 981           HD1      HIS 981   8.825 -18.533  -0.752
  490    HD2  HIS 981           HD2      HIS 981  11.047 -15.995  -3.182
  491    HE1  HIS 981           HE1      HIS 981   9.562 -19.936  -2.704
  492    HE2  HIS 981           HE2      HIS 981  11.035 -18.419  -4.079
  493    H    ARG 982           H        ARG 982   7.712 -15.165  -3.442
  494    HA   ARG 982           HA       ARG 982   9.824 -13.721  -4.737
  495   1HB   ARG 982          HB1       ARG 982   8.695 -15.517  -5.914
  496   2HB   ARG 982          HB2       ARG 982   7.146 -14.704  -5.744
  497   1HG   ARG 982          HG1       ARG 982   8.371 -12.789  -7.057
  498   2HG   ARG 982          HG2       ARG 982   9.407 -14.119  -7.580
  499   1HD   ARG 982          HD1       ARG 982   7.395 -15.343  -8.326
  500   2HD   ARG 982          HD2       ARG 982   6.408 -13.955  -7.875
  501    HE   ARG 982           HE       ARG 982   8.564 -13.635  -9.851
  502   1HH1  ARG 982          2HH1      ARG 982   5.154 -13.403  -8.986
  503   2HH1  ARG 982          1HH1      ARG 982   4.687 -12.803 -10.550
  504   1HH2  ARG 982          2HH2      ARG 982   7.914 -12.824 -11.888
  505   2HH2  ARG 982          1HH2      ARG 982   6.231 -12.476 -12.175
  506    H    GLU 983           H        GLU 983   6.313 -13.082  -4.462
  507    HA   GLU 983           HA       GLU 983   6.736 -10.380  -5.328
  508   1HB   GLU 983          HB1       GLU 983   4.453 -12.107  -5.176
  509   2HB   GLU 983          HB2       GLU 983   4.108 -10.543  -4.462
  510   1HG   GLU 983          HG1       GLU 983   4.262  -9.431  -6.371
  511   2HG   GLU 983          HG2       GLU 983   5.636 -10.385  -6.934
  512    H    ILE 984           H        ILE 984   6.088 -11.943  -2.279
  513    HA   ILE 984           HA       ILE 984   5.224  -9.636  -0.929
  514    HB   ILE 984           HB       ILE 984   5.002 -11.994  -0.089
  515   1HG1  ILE 984          1HG1      ILE 984   5.279 -11.375   2.291
  516   2HG1  ILE 984          2HG1      ILE 984   6.253  -9.988   1.816
  517   1HG2  ILE 984          1HG2      ILE 984   7.284 -12.738  -0.472
  518   2HG2  ILE 984          2HG2      ILE 984   7.889 -11.571   0.704
  519   3HG2  ILE 984          3HG2      ILE 984   6.866 -12.909   1.233
  520   1HD1  ILE 984          1HD1      ILE 984   3.990  -9.327   2.368
  521   2HD1  ILE 984          2HD1      ILE 984   4.331  -9.034   0.662
  522   3HD1  ILE 984          3HD1      ILE 984   3.356 -10.424   1.140
  523    H    GLU 985           H        GLU 985   8.382 -10.772  -1.856
  524    HA   GLU 985           HA       GLU 985   9.779  -8.730  -0.421
  525   1HB   GLU 985          HB1       GLU 985  10.524 -10.544  -2.687
  526   2HB   GLU 985          HB2       GLU 985  11.567  -9.203  -2.237
  527   1HG   GLU 985          HG1       GLU 985  11.366 -10.207   0.151
  528   2HG   GLU 985          HG2       GLU 985  10.890 -11.669  -0.715
  529    H    MET 986           H        MET 986   8.557  -9.059  -3.757
  530    HA   MET 986           HA       MET 986   9.825  -6.719  -4.654
  531   1HB   MET 986          HB1       MET 986   8.751  -6.928  -6.705
  532   2HB   MET 986          HB2       MET 986   8.984  -8.570  -6.134
  533   1HG   MET 986          HG1       MET 986   6.711  -8.819  -5.615
  534   2HG   MET 986          HG2       MET 986   6.408  -7.087  -5.753
  535   1HE   MET 986          HE1       MET 986   7.499  -9.709  -9.397
  536   2HE   MET 986          HE2       MET 986   8.642  -9.211  -8.149
  537   3HE   MET 986          HE3       MET 986   7.362 -10.362  -7.764
  538    H    ALA 987           H        ALA 987   6.536  -7.219  -3.509
  539    HA   ALA 987           HA       ALA 987   5.799  -4.505  -3.993
  540   1HB   ALA 987          HB1       ALA 987   4.379  -6.644  -2.433
  541   2HB   ALA 987          HB2       ALA 987   3.699  -5.097  -2.939
  542   3HB   ALA 987          HB3       ALA 987   4.161  -6.296  -4.148
  543    H    GLN 988           H        GLN 988   6.581  -6.450  -1.098
  544    HA   GLN 988           HA       GLN 988   5.886  -4.406   0.697
  545   1HB   GLN 988          HB1       GLN 988   6.114  -6.744   1.402
  546   2HB   GLN 988          HB2       GLN 988   7.843  -6.674   1.119
  547   1HG   GLN 988          HG1       GLN 988   6.542  -4.812   3.065
  548   2HG   GLN 988          HG2       GLN 988   6.944  -6.463   3.526
  549   1HE2  GLN 988          2HE2      GLN 988   7.997  -3.924   4.514
  550   2HE2  GLN 988          1HE2      GLN 988   9.706  -3.985   4.263
  551    H    LYS 989           H        LYS 989   9.048  -5.274  -0.719
  552    HA   LYS 989           HA       LYS 989  10.523  -3.206   0.506
  553   1HB   LYS 989          HB1       LYS 989  10.889  -4.710  -2.080
  554   2HB   LYS 989          HB2       LYS 989  11.990  -3.428  -1.601
  555   1HG   LYS 989          HG1       LYS 989  12.543  -4.661   0.436
  556   2HG   LYS 989          HG2       LYS 989  11.439  -5.951  -0.050
  557   1HD   LYS 989          HD1       LYS 989  12.780  -6.542  -1.898
  558   2HD   LYS 989          HD2       LYS 989  13.705  -5.044  -1.806
  559   1HE   LYS 989          HE1       LYS 989  15.085  -6.796  -0.971
  560   2HE   LYS 989          HE2       LYS 989  14.587  -5.810   0.399
  561   1HZ   LYS 989          HZ1       LYS 989  12.775  -7.534   0.728
  562   2HZ   LYS 989          HZ2       LYS 989  13.639  -8.513  -0.354
  563   3HZ   LYS 989          HZ3       LYS 989  14.358  -8.009   1.093
  564    H    LEU 990           H        LEU 990   8.435  -3.324  -2.272
  565    HA   LEU 990           HA       LEU 990   9.090  -0.751  -3.298
  566   1HB   LEU 990          HB1       LEU 990   8.226  -2.103  -4.917
  567   2HB   LEU 990          HB2       LEU 990   7.127  -2.905  -3.820
  568    HG   LEU 990           HG       LEU 990   5.612  -1.005  -3.935
  569   1HD1  LEU 990          1HD1      LEU 990   7.553   0.087  -5.981
  570   2HD1  LEU 990          2HD1      LEU 990   5.952   0.743  -5.639
  571   3HD1  LEU 990          3HD1      LEU 990   7.208   0.792  -4.402
  572   1HD2  LEU 990          1HD2      LEU 990   5.258  -2.831  -5.431
  573   2HD2  LEU 990          2HD2      LEU 990   4.910  -1.326  -6.279
  574   3HD2  LEU 990          3HD2      LEU 990   6.426  -2.177  -6.579
  575    H    LEU 991           H        LEU 991   6.603  -1.976  -1.080
  576    HA   LEU 991           HA       LEU 991   5.077   0.386  -0.833
  577   1HB   LEU 991          HB1       LEU 991   5.635  -1.546   1.412
  578   2HB   LEU 991          HB2       LEU 991   4.244  -0.497   1.218
  579    HG   LEU 991           HG       LEU 991   4.719  -2.609  -0.825
  580   1HD1  LEU 991          1HD1      LEU 991   3.502  -3.080   1.901
  581   2HD1  LEU 991          2HD1      LEU 991   3.504  -4.222   0.559
  582   3HD1  LEU 991          3HD1      LEU 991   5.025  -3.756   1.320
  583   1HD2  LEU 991          1HD2      LEU 991   2.249  -1.466   0.482
  584   2HD2  LEU 991          2HD2      LEU 991   2.907  -0.971  -1.078
  585   3HD2  LEU 991          3HD2      LEU 991   2.281  -2.606  -0.863
  586    H    ASN 992           H        ASN 992   7.751  -0.916   1.120
  587    HA   ASN 992           HA       ASN 992   8.000   1.165   2.931
  588   1HB   ASN 992          HB1       ASN 992   9.145  -0.972   3.198
  589   2HB   ASN 992          HB2       ASN 992  10.093  -0.681   1.747
  590   1HD2  ASN 992          2HD2      ASN 992  12.040  -0.862   2.777
  591   2HD2  ASN 992          1HD2      ASN 992  12.633   0.327   3.883
  592    H    SER 993           H        SER 993   9.461   0.720  -0.264
  593    HA   SER 993           HA       SER 993  11.136   2.974  -0.138
  594   1HB   SER 993          HB1       SER 993  10.007   1.556  -2.561
  595   2HB   SER 993          HB2       SER 993  11.355   2.694  -2.579
  596    HG   SER 993           HG       SER 993  11.221   0.085  -1.535
  597    H    ASP 994           H        ASP 994   7.798   2.615  -1.421
  598    HA   ASP 994           HA       ASP 994   8.078   5.369  -2.403
  599   1HB   ASP 994          HB1       ASP 994   6.463   3.063  -3.355
  600   2HB   ASP 994          HB2       ASP 994   5.867   4.695  -3.660
  601    H    LEU 995           H        LEU 995   5.837   3.371  -0.494
  602    HA   LEU 995           HA       LEU 995   4.036   5.445   0.057
  603   1HB   LEU 995          HB1       LEU 995   3.577   3.068   0.578
  604   2HB   LEU 995          HB2       LEU 995   4.775   3.126   1.852
  605    HG   LEU 995           HG       LEU 995   2.734   5.182   2.133
  606   1HD1  LEU 995          1HD1      LEU 995   0.966   3.635   2.827
  607   2HD1  LEU 995          2HD1      LEU 995   1.321   3.516   1.103
  608   3HD1  LEU 995          3HD1      LEU 995   1.925   2.288   2.217
  609   1HD2  LEU 995          1HD2      LEU 995   3.929   3.032   3.858
  610   2HD2  LEU 995          2HD2      LEU 995   4.233   4.769   3.916
  611   3HD2  LEU 995          3HD2      LEU 995   2.671   4.128   4.417
  612    H    ALA 996           H        ALA 996   7.000   4.418   1.670
  613    HA   ALA 996           HA       ALA 996   6.969   6.364   3.695
  614   1HB   ALA 996          HB1       ALA 996   9.346   5.091   2.357
  615   2HB   ALA 996          HB2       ALA 996   9.429   6.081   3.817
  616   3HB   ALA 996          HB3       ALA 996   8.542   4.554   3.832
  617    H    GLU 997           H        GLU 997   8.387   6.543   0.423
  618    HA   GLU 997           HA       GLU 997   9.374   9.083   0.505
  619   1HB   GLU 997          HB1       GLU 997   7.874   7.732  -1.721
  620   2HB   GLU 997          HB2       GLU 997   8.656   9.296  -1.902
  621   1HG   GLU 997          HG1       GLU 997  10.061   6.811  -1.031
  622   2HG   GLU 997          HG2       GLU 997   9.976   7.360  -2.707
  623    H    LEU 998           H        LEU 998   5.997   8.157  -0.059
  624    HA   LEU 998           HA       LEU 998   5.086  10.739  -0.708
  625   1HB   LEU 998          HB1       LEU 998   3.815   8.211   0.166
  626   2HB   LEU 998          HB2       LEU 998   2.876   9.677   0.391
  627    HG   LEU 998           HG       LEU 998   2.340   8.578  -1.729
  628   1HD1  LEU 998          1HD1      LEU 998   3.808  11.192  -2.052
  629   2HD1  LEU 998          2HD1      LEU 998   2.621  10.532  -3.177
  630   3HD1  LEU 998          3HD1      LEU 998   2.129  10.999  -1.549
  631   1HD2  LEU 998          1HD2      LEU 998   5.219   9.125  -2.428
  632   2HD2  LEU 998          2HD2      LEU 998   4.513   7.536  -2.130
  633   3HD2  LEU 998          3HD2      LEU 998   3.988   8.488  -3.519
  634    H    ILE 999           H        ILE 999   5.542   9.076   2.293
  635    HA   ILE 999           HA       ILE 999   4.129  10.808   4.009
  636    HB   ILE 999           HB       ILE 999   6.617   9.197   4.605
  637   1HG1  ILE 999          1HG1      ILE 999   3.695   8.563   5.084
  638   2HG1  ILE 999          2HG1      ILE 999   4.686   7.869   3.804
  639   1HG2  ILE 999          1HG2      ILE 999   5.963   9.371   6.958
  640   2HG2  ILE 999          2HG2      ILE 999   6.296  10.957   6.262
  641   3HG2  ILE 999          3HG2      ILE 999   4.630  10.434   6.508
  642   1HD1  ILE 999          1HD1      ILE 999   6.123   6.833   5.490
  643   2HD1  ILE 999          2HD1      ILE 999   5.117   7.523   6.764
  644   3HD1  ILE 999          3HD1      ILE 999   4.442   6.326   5.658
  645    H    ASN1000           H        ASN1000   7.442  10.891   2.850
  646    HA   ASN1000           HA       ASN1000   7.958  13.406   4.285
  647   1HB   ASN1000          HB1       ASN1000   9.881  11.879   2.521
  648   2HB   ASN1000          HB2       ASN1000  10.269  13.126   3.698
  649   1HD2  ASN1000          2HD2      ASN1000   9.571   9.811   3.164
  650   2HD2  ASN1000          1HD2      ASN1000   9.895   9.257   4.762
  651    H    LYS1001           H        LYS1001   6.819  12.393   1.296
  652    HA   LYS1001           HA       LYS1001   8.130  14.507  -0.196
  653   1HB   LYS1001          HB1       LYS1001   6.355  12.238  -0.997
  654   2HB   LYS1001          HB2       LYS1001   6.537  13.616  -2.074
  655   1HG   LYS1001          HG1       LYS1001   8.759  11.865  -1.031
  656   2HG   LYS1001          HG2       LYS1001   8.100  11.863  -2.668
  657   1HD   LYS1001          HD1       LYS1001   8.838  14.166  -2.981
  658   2HD   LYS1001          HD2       LYS1001   9.466  14.200  -1.335
  659   1HE   LYS1001          HE1       LYS1001  10.425  12.352  -3.520
  660   2HE   LYS1001          HE2       LYS1001  11.225  13.845  -3.034
  661   1HZ   LYS1001          HZ1       LYS1001  11.263  12.766  -0.719
  662   2HZ   LYS1001          HZ2       LYS1001  10.973  11.308  -1.542
  663   3HZ   LYS1001          HZ3       LYS1001  12.362  12.210  -1.883
  664    H    MET1002           H        MET1002   4.805  13.754   0.936
  665    HA   MET1002           HA       MET1002   3.905  16.311  -0.027
  666   1HB   MET1002          HB1       MET1002   2.255  14.550   0.255
  667   2HB   MET1002          HB2       MET1002   2.667  14.406   1.963
  668   1HG   MET1002          HG1       MET1002   0.714  15.675   1.925
  669   2HG   MET1002          HG2       MET1002   2.014  16.842   2.174
  670   1HE   MET1002          HE1       MET1002  -0.732  16.438  -1.457
  671   2HE   MET1002          HE2       MET1002   0.126  15.040  -0.811
  672   3HE   MET1002          HE3       MET1002  -1.045  15.894   0.193
  673    H    LYS1003           H        LYS1003   5.039  14.858   2.974
  674    HA   LYS1003           HA       LYS1003   4.888  17.059   4.644
  675   1HB   LYS1003          HB1       LYS1003   5.699  14.815   5.336
  676   2HB   LYS1003          HB2       LYS1003   7.189  15.103   4.445
  677   1HG   LYS1003          HG1       LYS1003   7.667  17.017   5.902
  678   2HG   LYS1003          HG2       LYS1003   6.200  16.667   6.819
  679   1HD   LYS1003          HD1       LYS1003   7.076  14.489   7.440
  680   2HD   LYS1003          HD2       LYS1003   8.516  14.765   6.458
  681   1HE   LYS1003          HE1       LYS1003   9.088  15.179   8.736
  682   2HE   LYS1003          HE2       LYS1003   9.039  16.727   7.896
  683   1HZ   LYS1003          HZ1       LYS1003   6.940  15.621   9.686
  684   2HZ   LYS1003          HZ2       LYS1003   7.973  16.924  10.016
  685   3HZ   LYS1003          HZ3       LYS1003   6.794  17.064   8.812
  686    H    LEU1004           H        LEU1004   7.596  16.119   2.504
  687    HA   LEU1004           HA       LEU1004   9.140  18.378   2.626
  688   1HB   LEU1004          HB1       LEU1004   9.505  16.193   1.326
  689   2HB   LEU1004          HB2       LEU1004   8.613  16.959   0.032
  690    HG   LEU1004           HG       LEU1004  11.127  18.155   1.187
  691   1HD1  LEU1004          1HD1      LEU1004  11.632  15.927   0.338
  692   2HD1  LEU1004          2HD1      LEU1004  10.846  16.325  -1.189
  693   3HD1  LEU1004          3HD1      LEU1004  12.316  17.173  -0.707
  694   1HD2  LEU1004          1HD2      LEU1004  11.212  19.346  -0.951
  695   2HD2  LEU1004          2HD2      LEU1004   9.710  18.567  -1.447
  696   3HD2  LEU1004          3HD2      LEU1004   9.711  19.696  -0.092
  697    H    ALA1005           H        ALA1005   6.474  17.792   0.310
  698    HA   ALA1005           HA       ALA1005   6.691  20.199  -1.067
  699   1HB   ALA1005          HB1       ALA1005   5.250  18.353  -1.805
  700   2HB   ALA1005          HB2       ALA1005   4.161  18.661  -0.452
  701   3HB   ALA1005          HB3       ALA1005   4.356  19.872  -1.722
  702    H    GLN1006           H        GLN1006   4.611  19.389   1.657
  703    HA   GLN1006           HA       GLN1006   3.687  22.043   2.040
  704   1HB   GLN1006          HB1       GLN1006   3.606  19.631   3.878
  705   2HB   GLN1006          HB2       GLN1006   2.663  21.109   4.098
  706   1HG   GLN1006          HG1       GLN1006   2.374  18.936   2.101
  707   2HG   GLN1006          HG2       GLN1006   1.161  19.693   3.134
  708   1HE2  GLN1006          2HE2      GLN1006   0.463  21.831   2.579
  709   2HE2  GLN1006          1HE2      GLN1006   0.506  22.357   0.936
  710    H    GLN1007           H        GLN1007   6.613  20.559   2.734
  711    HA   GLN1007           HA       GLN1007   7.159  22.197   5.052
  712   1HB   GLN1007          HB1       GLN1007   7.895  19.647   4.409
  713   2HB   GLN1007          HB2       GLN1007   9.300  20.559   3.889
  714   1HG   GLN1007          HG1       GLN1007   9.582  19.733   6.146
  715   2HG   GLN1007          HG2       GLN1007   9.525  21.498   6.137
  716   1HE2  GLN1007          2HE2      GLN1007   6.664  19.549   5.693
  717   2HE2  GLN1007          1HE2      GLN1007   5.936  19.930   7.224
  718    H    TYR1008           H        TYR1008   7.787  22.001   1.702
  719    HA   TYR1008           HA       TYR1008   9.965  23.944   1.816
  720   1HB   TYR1008          HB1       TYR1008  10.072  21.863   0.425
  721   2HB   TYR1008          HB2       TYR1008   8.719  22.464  -0.515
  722    HD1  TYR1008           HD1      TYR1008   9.397  22.982  -2.605
  723    HD2  TYR1008           HD2      TYR1008  11.902  24.054   0.661
  724    HE1  TYR1008           HE1      TYR1008  10.964  24.070  -4.168
  725    HE2  TYR1008           HE2      TYR1008  13.468  25.155  -0.886
  726    HH   TYR1008           HH       TYR1008  12.699  25.861  -4.097
  727    H    VAL1009           H        VAL1009   6.750  23.884   1.874
  728    HA   VAL1009           HA       VAL1009   5.377  25.314   0.193
  729    HB   VAL1009           HB       VAL1009   4.428  24.672   2.285
  730   1HG1  VAL1009          1HG1      VAL1009   6.097  26.830   3.568
  731   2HG1  VAL1009          2HG1      VAL1009   4.857  25.874   4.378
  732   3HG1  VAL1009          3HG1      VAL1009   6.310  25.090   3.758
  733   1HG2  VAL1009          1HG2      VAL1009   4.244  27.664   1.945
  734   2HG2  VAL1009          2HG2      VAL1009   3.270  26.453   1.110
  735   3HG2  VAL1009          3HG2      VAL1009   3.111  26.665   2.854
  736    H    MET1010           H        MET1010   5.857  26.944  -1.079
  737    HA   MET1010           HA       MET1010   7.003  29.374   0.112
  738   1HB   MET1010          HB1       MET1010   7.857  28.496  -2.110
  739   2HB   MET1010          HB2       MET1010   6.297  28.932  -2.792
  740   1HG   MET1010          HG1       MET1010   6.698  31.275  -2.100
  741   2HG   MET1010          HG2       MET1010   8.306  30.801  -1.553
  742   1HE   MET1010          HE1       MET1010   9.528  32.543  -3.026
  743   2HE   MET1010          HE2       MET1010   9.234  32.782  -4.749
  744   3HE   MET1010          HE3       MET1010   7.975  33.172  -3.575
  745    H    THR1011           H        THR1011   4.634  29.232  -2.501
  746    HA   THR1011           HA       THR1011   2.428  29.865  -0.754
  747    HB   THR1011           HB       THR1011   3.246  31.869  -2.875
  748    HG1  THR1011           HG1      THR1011   3.884  31.644  -0.254
  749   1HG2  THR1011          1HG2      THR1011   0.910  31.866  -0.957
  750   2HG2  THR1011          2HG2      THR1011   1.344  33.185  -2.045
  751   3HG2  THR1011          3HG2      THR1011   0.817  31.635  -2.702
  752    H    SER1012           H        SER1012   2.806  30.636  -4.197
  753    HA   SER1012           HA       SER1012   0.651  28.773  -4.811
  754   1HB   SER1012          HB1       SER1012   2.112  30.698  -6.638
  755   2HB   SER1012          HB2       SER1012   0.620  29.834  -7.005
  756    HG   SER1012           HG       SER1012   0.955  32.166  -5.701
  757    H    LEU1013           H        LEU1013   4.044  28.972  -4.895
  758    HA   LEU1013           HA       LEU1013   4.517  27.018  -6.920
  759   1HB   LEU1013          HB1       LEU1013   6.148  28.765  -6.002
  760   2HB   LEU1013          HB2       LEU1013   6.363  27.687  -4.637
  761    HG   LEU1013           HG       LEU1013   7.165  25.925  -6.185
  762   1HD1  LEU1013          1HD1      LEU1013   6.986  28.107  -8.258
  763   2HD1  LEU1013          2HD1      LEU1013   7.742  26.530  -8.484
  764   3HD1  LEU1013          3HD1      LEU1013   6.005  26.642  -8.199
  765   1HD2  LEU1013          1HD2      LEU1013   8.765  27.352  -5.047
  766   2HD2  LEU1013          2HD2      LEU1013   9.331  26.964  -6.671
  767   3HD2  LEU1013          3HD2      LEU1013   8.640  28.551  -6.335
  768    H    GLN1014           H        GLN1014   3.123  26.806  -3.922
  769    HA   GLN1014           HA       GLN1014   4.159  24.477  -2.785
  770   1HB   GLN1014          HB1       GLN1014   2.494  26.023  -1.721
  771   2HB   GLN1014          HB2       GLN1014   1.258  25.338  -2.768
  772   1HG   GLN1014          HG1       GLN1014   1.446  24.442  -0.375
  773   2HG   GLN1014          HG2       GLN1014   1.317  23.266  -1.686
  774   1HE2  GLN1014          2HE2      GLN1014   2.989  21.946  -2.132
  775   2HE2  GLN1014          1HE2      GLN1014   4.452  21.907  -1.197
  776    H    GLN1015           H        GLN1015   1.777  24.924  -5.303
  777    HA   GLN1015           HA       GLN1015   1.040  22.178  -5.401
  778   1HB   GLN1015          HB1       GLN1015  -0.190  22.697  -7.392
  779   2HB   GLN1015          HB2       GLN1015  -0.492  23.907  -6.164
  780   1HG   GLN1015          HG1       GLN1015   0.982  25.460  -7.278
  781   2HG   GLN1015          HG2       GLN1015   1.390  24.241  -8.486
  782   1HE2  GLN1015          2HE2      GLN1015   0.647  25.541 -10.158
  783   2HE2  GLN1015          1HE2      GLN1015  -1.039  25.805 -10.441
  784    H    GLU1016           H        GLU1016   3.456  24.106  -7.088
  785    HA   GLU1016           HA       GLU1016   4.503  22.246  -8.821
  786   1HB   GLU1016          HB1       GLU1016   5.622  24.284  -8.799
  787   2HB   GLU1016          HB2       GLU1016   5.788  24.291  -7.049
  788   1HG   GLU1016          HG1       GLU1016   7.929  23.882  -7.778
  789   2HG   GLU1016          HG2       GLU1016   7.343  22.279  -7.391
  790    H    TYR1017           H        TYR1017   5.299  22.519  -5.335
  791    HA   TYR1017           HA       TYR1017   6.923  20.200  -5.299
  792   1HB   TYR1017          HB1       TYR1017   5.439  21.026  -2.808
  793   2HB   TYR1017          HB2       TYR1017   7.082  20.438  -2.989
  794    HD1  TYR1017           HD1      TYR1017   7.686  22.581  -5.263
  795    HD2  TYR1017           HD2      TYR1017   6.101  22.750  -1.297
  796    HE1  TYR1017           HE1      TYR1017   8.475  24.898  -5.047
  797    HE2  TYR1017           HE2      TYR1017   6.867  25.058  -1.104
  798    HH   TYR1017           HH       TYR1017   8.587  26.510  -2.061
  799    H    LYS1018           H        LYS1018   3.581  20.797  -5.179
  800    HA   LYS1018           HA       LYS1018   2.714  18.239  -4.251
  801   1HB   LYS1018          HB1       LYS1018   1.303  20.205  -4.016
  802   2HB   LYS1018          HB2       LYS1018   1.255  20.416  -5.758
  803   1HG   LYS1018          HG1       LYS1018  -0.816  19.470  -5.012
  804   2HG   LYS1018          HG2       LYS1018   0.065  18.262  -5.948
  805   1HD   LYS1018          HD1       LYS1018   0.808  17.185  -3.899
  806   2HD   LYS1018          HD2       LYS1018   0.000  18.426  -2.938
  807   1HE   LYS1018          HE1       LYS1018  -1.330  16.376  -3.055
  808   2HE   LYS1018          HE2       LYS1018  -2.159  17.728  -3.821
  809   1HZ   LYS1018          HZ1       LYS1018  -0.593  15.693  -5.301
  810   2HZ   LYS1018          HZ2       LYS1018  -2.271  15.624  -5.094
  811   3HZ   LYS1018          HZ3       LYS1018  -1.573  16.904  -5.967
  812    H    LYS1019           H        LYS1019   3.669  19.502  -7.371
  813    HA   LYS1019           HA       LYS1019   2.350  17.526  -8.963
  814   1HB   LYS1019          HB1       LYS1019   4.887  19.064  -9.580
  815   2HB   LYS1019          HB2       LYS1019   3.909  18.186 -10.745
  816   1HG   LYS1019          HG1       LYS1019   3.069  20.626  -9.196
  817   2HG   LYS1019          HG2       LYS1019   3.514  20.567 -10.900
  818   1HD   LYS1019          HD1       LYS1019   1.616  19.079 -11.337
  819   2HD   LYS1019          HD2       LYS1019   1.168  19.156  -9.633
  820   1HE   LYS1019          HE1       LYS1019  -0.202  20.685 -10.915
  821   2HE   LYS1019          HE2       LYS1019   0.868  21.589  -9.843
  822   1HZ   LYS1019          HZ1       LYS1019   2.351  21.983 -11.716
  823   2HZ   LYS1019          HZ2       LYS1019   1.311  21.118 -12.741
  824   3HZ   LYS1019          HZ3       LYS1019   0.794  22.575 -12.047
  825    H    GLN1020           H        GLN1020   5.787  17.893  -8.182
  826    HA   GLN1020           HA       GLN1020   6.705  15.375  -8.642
  827   1HB   GLN1020          HB1       GLN1020   7.445  17.371  -6.528
  828   2HB   GLN1020          HB2       GLN1020   8.237  15.803  -6.576
  829   1HG   GLN1020          HG1       GLN1020   9.556  17.490  -7.719
  830   2HG   GLN1020          HG2       GLN1020   9.009  16.247  -8.842
  831   1HE2  GLN1020          2HE2      GLN1020   8.690  19.565  -7.864
  832   2HE2  GLN1020          1HE2      GLN1020   7.823  20.115  -9.261
  833    H    MET1021           H        MET1021   4.838  16.423  -5.846
  834    HA   MET1021           HA       MET1021   4.994  13.999  -4.400
  835   1HB   MET1021          HB1       MET1021   4.264  15.997  -3.276
  836   2HB   MET1021          HB2       MET1021   2.921  16.199  -4.391
  837   1HG   MET1021          HG1       MET1021   3.119  13.757  -2.676
  838   2HG   MET1021          HG2       MET1021   2.479  15.264  -2.026
  839   1HE   MET1021          HE1       MET1021  -0.616  12.815  -2.746
  840   2HE   MET1021          HE2       MET1021   1.025  12.331  -2.314
  841   3HE   MET1021          HE3       MET1021   0.252  13.677  -1.476
  842    H    LEU1022           H        LEU1022   2.700  15.189  -6.824
  843    HA   LEU1022           HA       LEU1022   0.873  13.049  -6.622
  844   1HB   LEU1022          HB1       LEU1022   0.386  15.237  -7.688
  845   2HB   LEU1022          HB2       LEU1022   1.433  14.793  -9.022
  846    HG   LEU1022           HG       LEU1022  -0.072  12.903  -9.555
  847   1HD1  LEU1022          1HD1      LEU1022  -0.996  12.507  -7.345
  848   2HD1  LEU1022          2HD1      LEU1022  -1.795  14.079  -7.377
  849   3HD1  LEU1022          3HD1      LEU1022  -2.290  12.816  -8.506
  850   1HD2  LEU1022          1HD2      LEU1022  -0.348  15.012 -10.712
  851   2HD2  LEU1022          2HD2      LEU1022  -1.922  14.271 -10.424
  852   3HD2  LEU1022          3HD2      LEU1022  -1.382  15.614  -9.417
  853    H    THR1023           H        THR1023   3.704  13.559  -8.691
  854    HA   THR1023           HA       THR1023   3.487  11.198 -10.209
  855    HB   THR1023           HB       THR1023   6.020  12.627  -9.362
  856    HG1  THR1023           HG1      THR1023   4.223  13.036 -11.549
  857   1HG2  THR1023          1HG2      THR1023   6.444  10.423 -10.342
  858   2HG2  THR1023          2HG2      THR1023   5.448  10.843 -11.735
  859   3HG2  THR1023          3HG2      THR1023   6.956  11.707 -11.436
  860    H    ALA1024           H        ALA1024   4.667  11.838  -7.009
  861    HA   ALA1024           HA       ALA1024   5.938   9.266  -6.685
  862   1HB   ALA1024          HB1       ALA1024   6.249   9.960  -4.349
  863   2HB   ALA1024          HB2       ALA1024   6.808  11.194  -5.478
  864   3HB   ALA1024          HB3       ALA1024   5.264  11.391  -4.647
  865    H    ALA1025           H        ALA1025   2.925  10.836  -5.748
  866    HA   ALA1025           HA       ALA1025   1.862   8.811  -4.134
  867   1HB   ALA1025          HB1       ALA1025   0.328  10.712  -5.908
  868   2HB   ALA1025          HB2       ALA1025  -0.294   9.846  -4.503
  869   3HB   ALA1025          HB3       ALA1025   0.932  11.096  -4.295
  870    H    HIS1026           H        HIS1026   1.827   9.257  -7.625
  871    HA   HIS1026           HA       HIS1026   0.142   7.095  -8.252
  872   1HB   HIS1026          HB1       HIS1026   0.718   8.730  -9.949
  873   2HB   HIS1026          HB2       HIS1026   2.425   8.323  -9.820
  874    HD1  HIS1026           HD1      HIS1026   2.966   7.328 -12.036
  875    HD2  HIS1026           HD2      HIS1026  -0.570   5.800 -10.457
  876    HE1  HIS1026           HE1      HIS1026   2.254   5.491 -13.604
  877    HE2  HIS1026           HE2      HIS1026   0.077   4.622 -12.671
  878    H    ALA1027           H        ALA1027   3.604   7.298  -7.623
  879    HA   ALA1027           HA       ALA1027   4.210   4.619  -8.296
  880   1HB   ALA1027          HB1       ALA1027   6.306   4.989  -7.105
  881   2HB   ALA1027          HB2       ALA1027   5.921   6.341  -8.171
  882   3HB   ALA1027          HB3       ALA1027   5.663   6.487  -6.432
  883    H    LEU1028           H        LEU1028   3.374   6.153  -5.174
  884    HA   LEU1028           HA       LEU1028   3.670   3.698  -3.746
  885   1HB   LEU1028          HB1       LEU1028   3.761   5.130  -2.054
  886   2HB   LEU1028          HB2       LEU1028   3.123   6.439  -3.012
  887    HG   LEU1028           HG       LEU1028   1.341   4.398  -1.657
  888   1HD1  LEU1028          1HD1      LEU1028   2.524   6.937  -0.580
  889   2HD1  LEU1028          2HD1      LEU1028   1.008   6.270   0.029
  890   3HD1  LEU1028          3HD1      LEU1028   2.493   5.332   0.149
  891   1HD2  LEU1028          1HD2      LEU1028  -0.334   6.158  -1.840
  892   2HD2  LEU1028          2HD2      LEU1028   0.846   7.217  -2.609
  893   3HD2  LEU1028          3HD2      LEU1028   0.315   5.748  -3.428
  894    H    ALA1029           H        ALA1029   0.901   5.352  -5.208
  895    HA   ALA1029           HA       ALA1029  -1.076   3.556  -4.504
  896   1HB   ALA1029          HB1       ALA1029  -1.478   5.596  -5.829
  897   2HB   ALA1029          HB2       ALA1029  -0.787   4.791  -7.240
  898   3HB   ALA1029          HB3       ALA1029  -2.267   4.172  -6.504
  899    H    VAL1030           H        VAL1030   1.480   3.165  -6.898
  900    HA   VAL1030           HA       VAL1030   0.578   0.672  -7.894
  901    HB   VAL1030           HB       VAL1030   3.343   1.896  -7.914
  902   1HG1  VAL1030          1HG1      VAL1030   3.863   0.302  -9.702
  903   2HG1  VAL1030          2HG1      VAL1030   3.487  -0.529  -8.192
  904   3HG1  VAL1030          3HG1      VAL1030   2.287  -0.459  -9.484
  905   1HG2  VAL1030          1HG2      VAL1030   1.702   3.216  -9.119
  906   2HG2  VAL1030          2HG2      VAL1030   2.807   2.435 -10.249
  907   3HG2  VAL1030          3HG2      VAL1030   1.183   1.788 -10.015
  908    H    ASP1031           H        ASP1031   2.371   1.560  -5.013
  909    HA   ASP1031           HA       ASP1031   3.424  -1.112  -4.690
  910   1HB   ASP1031          HB1       ASP1031   4.307  -0.484  -2.552
  911   2HB   ASP1031          HB2       ASP1031   4.656   0.790  -3.700
  912    H    ALA1032           H        ALA1032   0.746   0.742  -3.362
  913    HA   ALA1032           HA       ALA1032  -0.375  -1.265  -1.747
  914   1HB   ALA1032          HB1       ALA1032  -2.496  -0.058  -2.047
  915   2HB   ALA1032          HB2       ALA1032  -1.164   1.047  -1.712
  916   3HB   ALA1032          HB3       ALA1032  -1.775   0.876  -3.357
  917    H    LYS1033           H        LYS1033  -0.916  -0.429  -5.154
  918    HA   LYS1033           HA       LYS1033  -2.777  -2.423  -5.758
  919   1HB   LYS1033          HB1       LYS1033  -2.523  -0.592  -7.257
  920   2HB   LYS1033          HB2       LYS1033  -0.814  -0.931  -7.495
  921   1HG   LYS1033          HG1       LYS1033  -2.099  -1.581  -9.443
  922   2HG   LYS1033          HG2       LYS1033  -1.395  -3.001  -8.672
  923   1HD   LYS1033          HD1       LYS1033  -3.552  -3.480  -7.602
  924   2HD   LYS1033          HD2       LYS1033  -4.253  -2.063  -8.390
  925   1HE   LYS1033          HE1       LYS1033  -3.784  -3.051 -10.582
  926   2HE   LYS1033          HE2       LYS1033  -3.068  -4.456  -9.795
  927   1HZ   LYS1033          HZ1       LYS1033  -5.898  -3.610  -9.462
  928   2HZ   LYS1033          HZ2       LYS1033  -5.375  -4.814 -10.534
  929   3HZ   LYS1033          HZ3       LYS1033  -5.183  -5.033  -8.866
  930    H    ASN1034           H        ASN1034   0.769  -2.458  -6.160
  931    HA   ASN1034           HA       ASN1034   0.829  -4.972  -7.428
  932   1HB   ASN1034          HB1       ASN1034   2.725  -3.302  -7.403
  933   2HB   ASN1034          HB2       ASN1034   3.064  -3.819  -5.752
  934   1HD2  ASN1034          2HD2      ASN1034   5.104  -4.602  -6.325
  935   2HD2  ASN1034          1HD2      ASN1034   5.310  -6.053  -7.233
  936    H    LEU1035           H        LEU1035   0.978  -4.043  -4.017
  937    HA   LEU1035           HA       LEU1035   1.760  -6.717  -3.180
  938   1HB   LEU1035          HB1       LEU1035   2.464  -4.867  -1.763
  939   2HB   LEU1035          HB2       LEU1035   0.798  -4.318  -1.576
  940    HG   LEU1035           HG       LEU1035   0.373  -6.618  -0.491
  941   1HD1  LEU1035          1HD1      LEU1035   2.464  -7.657  -1.201
  942   2HD1  LEU1035          2HD1      LEU1035   3.372  -6.497  -0.232
  943   3HD1  LEU1035          3HD1      LEU1035   2.299  -7.657   0.555
  944   1HD2  LEU1035          1HD2      LEU1035   0.326  -4.564   0.765
  945   2HD2  LEU1035          2HD2      LEU1035   1.153  -5.814   1.692
  946   3HD2  LEU1035          3HD2      LEU1035   2.086  -4.557   0.879
  947    H    LEU1036           H        LEU1036  -1.255  -4.844  -3.350
  948    HA   LEU1036           HA       LEU1036  -2.871  -6.653  -1.977
  949   1HB   LEU1036          HB1       LEU1036  -4.769  -5.533  -2.864
  950   2HB   LEU1036          HB2       LEU1036  -3.545  -4.327  -2.549
  951    HG   LEU1036           HG       LEU1036  -3.040  -4.523  -5.098
  952   1HD1  LEU1036          1HD1      LEU1036  -5.861  -5.587  -4.983
  953   2HD1  LEU1036          2HD1      LEU1036  -5.016  -5.064  -6.439
  954   3HD1  LEU1036          3HD1      LEU1036  -4.442  -6.472  -5.544
  955   1HD2  LEU1036          1HD2      LEU1036  -3.924  -2.548  -4.002
  956   2HD2  LEU1036          2HD2      LEU1036  -4.740  -2.815  -5.543
  957   3HD2  LEU1036          3HD2      LEU1036  -5.545  -3.237  -4.031
  958    H    ASP1037           H        ASP1037  -1.438  -6.829  -5.035
  959    HA   ASP1037           HA       ASP1037  -3.144  -9.080  -5.828
  960   1HB   ASP1037          HB1       ASP1037  -2.392  -7.180  -7.446
  961   2HB   ASP1037          HB2       ASP1037  -0.849  -8.030  -7.463
  962    H    VAL1038           H        VAL1038   0.106  -8.161  -4.979
  963    HA   VAL1038           HA       VAL1038   1.513 -10.521  -5.103
  964    HB   VAL1038           HB       VAL1038   1.580  -8.273  -3.109
  965   1HG1  VAL1038          1HG1      VAL1038   3.703  -9.176  -2.250
  966   2HG1  VAL1038          2HG1      VAL1038   2.328 -10.217  -1.881
  967   3HG1  VAL1038          3HG1      VAL1038   3.433 -10.648  -3.185
  968   1HG2  VAL1038          1HG2      VAL1038   3.446  -9.136  -5.305
  969   2HG2  VAL1038          2HG2      VAL1038   2.352  -7.753  -5.336
  970   3HG2  VAL1038          3HG2      VAL1038   3.715  -7.777  -4.215
  971    H    ILE1039           H        ILE1039  -0.259  -9.348  -2.269
  972    HA   ILE1039           HA       ILE1039   0.001 -11.908  -1.000
  973    HB   ILE1039           HB       ILE1039  -1.371 -10.786   0.860
  974   1HG1  ILE1039          1HG1      ILE1039  -1.228  -8.346   0.930
  975   2HG1  ILE1039          2HG1      ILE1039  -0.516  -8.326  -0.678
  976   1HG2  ILE1039          1HG2      ILE1039   1.033 -11.259   0.901
  977   2HG2  ILE1039          2HG2      ILE1039   1.339  -9.698   0.143
  978   3HG2  ILE1039          3HG2      ILE1039   0.626  -9.770   1.756
  979   1HD1  ILE1039          1HD1      ILE1039  -3.300  -9.191   0.036
  980   2HD1  ILE1039          2HD1      ILE1039  -2.826  -7.698  -0.776
  981   3HD1  ILE1039          3HD1      ILE1039  -2.595  -9.251  -1.579
  982    H    ASP1040           H        ASP1040  -2.592 -10.113  -2.638
  983    HA   ASP1040           HA       ASP1040  -4.595 -12.012  -2.196
  984   1HB   ASP1040          HB1       ASP1040  -5.166 -10.136  -3.583
  985   2HB   ASP1040          HB2       ASP1040  -3.898 -10.528  -4.742
  986    H    GLN1041           H        GLN1041  -1.866 -12.039  -4.414
  987    HA   GLN1041           HA       GLN1041  -2.298 -14.705  -5.292
  988   1HB   GLN1041          HB1       GLN1041   0.075 -12.886  -5.370
  989   2HB   GLN1041          HB2       GLN1041   0.267 -14.598  -5.727
  990   1HG   GLN1041          HG1       GLN1041  -1.328 -14.435  -7.536
  991   2HG   GLN1041          HG2       GLN1041  -1.622 -12.737  -7.154
  992   1HE2  GLN1041          2HE2      GLN1041  -0.109 -11.215  -7.689
  993   2HE2  GLN1041          1HE2      GLN1041   1.250 -11.539  -8.710
  994    H    ALA1042           H        ALA1042  -0.564 -13.277  -2.565
  995    HA   ALA1042           HA       ALA1042   0.826 -15.427  -1.616
  996   1HB   ALA1042          HB1       ALA1042   0.589 -14.501   0.627
  997   2HB   ALA1042          HB2       ALA1042   0.922 -13.239  -0.559
  998   3HB   ALA1042          HB3       ALA1042  -0.716 -13.461   0.060
  999    H    ARG1043           H        ARG1043  -2.498 -14.579  -0.726
 1000    HA   ARG1043           HA       ARG1043  -3.285 -16.820   0.624
 1001   1HB   ARG1043          HB1       ARG1043  -5.112 -15.521   0.559
 1002   2HB   ARG1043          HB2       ARG1043  -4.563 -14.709  -0.891
 1003   1HG   ARG1043          HG1       ARG1043  -5.870 -17.392  -1.079
 1004   2HG   ARG1043          HG2       ARG1043  -6.841 -15.932  -0.878
 1005   1HD   ARG1043          HD1       ARG1043  -5.770 -14.983  -2.876
 1006   2HD   ARG1043          HD2       ARG1043  -4.860 -16.477  -3.081
 1007    HE   ARG1043           HE       ARG1043  -7.540 -17.192  -3.025
 1008   1HH1  ARG1043          2HH1      ARG1043  -5.461 -15.124  -4.928
 1009   2HH1  ARG1043          1HH1      ARG1043  -6.337 -15.362  -6.410
 1010   1HH2  ARG1043          2HH2      ARG1043  -8.740 -17.499  -4.987
 1011   2HH2  ARG1043          1HH2      ARG1043  -8.187 -16.715  -6.449
 1012    H    LEU1044           H        LEU1044  -2.972 -16.455  -2.868
 1013    HA   LEU1044           HA       LEU1044  -3.831 -19.145  -3.435
 1014   1HB   LEU1044          HB1       LEU1044  -4.136 -17.189  -4.926
 1015   2HB   LEU1044          HB2       LEU1044  -2.421 -17.185  -5.227
 1016    HG   LEU1044           HG       LEU1044  -2.611 -19.452  -6.205
 1017   1HD1  LEU1044          1HD1      LEU1044  -5.569 -19.015  -5.821
 1018   2HD1  LEU1044          2HD1      LEU1044  -4.839 -20.327  -6.746
 1019   3HD1  LEU1044          3HD1      LEU1044  -4.577 -20.223  -5.005
 1020   1HD2  LEU1044          1HD2      LEU1044  -3.717 -18.749  -8.272
 1021   2HD2  LEU1044          2HD2      LEU1044  -4.415 -17.369  -7.425
 1022   3HD2  LEU1044          3HD2      LEU1044  -2.667 -17.484  -7.634
 1023    H    LYS1045           H        LYS1045  -0.800 -17.545  -2.836
 1024    HA   LYS1045           HA       LYS1045   0.950 -19.401  -4.041
 1025   1HB   LYS1045          HB1       LYS1045   1.490 -17.788  -1.541
 1026   2HB   LYS1045          HB2       LYS1045   2.684 -18.466  -2.625
 1027   1HG   LYS1045          HG1       LYS1045   0.881 -16.130  -3.070
 1028   2HG   LYS1045          HG2       LYS1045   2.638 -16.175  -3.039
 1029   1HD   LYS1045          HD1       LYS1045   0.927 -17.513  -5.133
 1030   2HD   LYS1045          HD2       LYS1045   1.682 -15.930  -5.321
 1031   1HE   LYS1045          HE1       LYS1045   3.886 -17.021  -4.932
 1032   2HE   LYS1045          HE2       LYS1045   3.059 -18.581  -4.950
 1033   1HZ   LYS1045          HZ1       LYS1045   2.298 -18.093  -7.209
 1034   2HZ   LYS1045          HZ2       LYS1045   3.143 -16.622  -7.186
 1035   3HZ   LYS1045          HZ3       LYS1045   3.994 -18.088  -7.114
 1036    H    MET1046           H        MET1046  -0.500 -19.142  -0.867
 1037    HA   MET1046           HA       MET1046   0.768 -21.384   0.284
 1038   1HB   MET1046          HB1       MET1046  -0.578 -19.574   1.466
 1039   2HB   MET1046          HB2       MET1046  -2.015 -20.415   0.918
 1040   1HG   MET1046          HG1       MET1046   0.108 -21.780   2.532
 1041   2HG   MET1046          HG2       MET1046  -1.205 -20.875   3.282
 1042   1HE   MET1046          HE1       MET1046  -3.661 -21.494   1.374
 1043   2HE   MET1046          HE2       MET1046  -4.354 -22.901   2.183
 1044   3HE   MET1046          HE3       MET1046  -3.741 -21.549   3.136
 1045    H    ILE1047           H        ILE1047  -2.294 -21.000  -1.487
 1046    HA   ILE1047           HA       ILE1047  -3.004 -23.719  -1.541
 1047    HB   ILE1047           HB       ILE1047  -3.602 -21.537  -3.544
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.507 -21.107  -1.323
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.808 -21.508  -2.438
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.418 -22.991  -4.345
 1051   2HG2  ILE1047          2HG2      ILE1047  -3.824 -23.693  -4.629
 1052   3HG2  ILE1047          3HG2      ILE1047  -4.826 -24.283  -3.301
 1053   1HD1  ILE1047          1HD1      ILE1047  -6.128 -22.562  -0.274
 1054   2HD1  ILE1047          2HD1      ILE1047  -5.893 -23.771  -1.536
 1055   3HD1  ILE1047          3HD1      ILE1047  -4.575 -23.381  -0.430
 1056    H    SER1048           H        SER1048  -1.083 -21.760  -3.793
 1057    HA   SER1048           HA       SER1048  -0.522 -23.543  -5.787
 1058   1HB   SER1048          HB1       SER1048   1.421 -21.608  -4.492
 1059   2HB   SER1048          HB2       SER1048   1.635 -22.357  -6.075
 1060    HG   SER1048           HG       SER1048  -0.635 -20.792  -5.399
 1061    H    GLN1049           H        GLN1049   1.148 -23.354  -2.645
 1062    HA   GLN1049           HA       GLN1049   2.763 -25.674  -3.301
 1063   1HB   GLN1049          HB1       GLN1049   3.821 -23.896  -2.028
 1064   2HB   GLN1049          HB2       GLN1049   2.588 -24.016  -0.778
 1065   1HG   GLN1049          HG1       GLN1049   3.351 -26.370  -0.379
 1066   2HG   GLN1049          HG2       GLN1049   4.697 -26.046  -1.470
 1067   1HE2  GLN1049          2HE2      GLN1049   6.357 -24.712  -0.802
 1068   2HE2  GLN1049          1HE2      GLN1049   6.538 -24.213   0.847
 1069    H    SER1050           H        SER1050   0.322 -24.852  -0.828
 1070    HA   SER1050           HA       SER1050   0.393 -27.621   0.101
 1071   1HB   SER1050          HB1       SER1050   0.689 -25.717   1.702
 1072   2HB   SER1050          HB2       SER1050  -0.963 -25.218   1.348
 1073    HG   SER1050           HG       SER1050  -1.700 -27.156   2.201
 1074    H    ARG1051           H        ARG1051  -1.003 -26.913  -2.401
 1075    HA   ARG1051           HA       ARG1051  -3.797 -26.929  -1.981
 1076   1HB   ARG1051          HB1       ARG1051  -2.653 -26.397  -4.156
 1077   2HB   ARG1051          HB2       ARG1051  -2.328 -28.115  -4.343
 1078   1HG   ARG1051          HG1       ARG1051  -4.610 -28.630  -4.568
 1079   2HG   ARG1051          HG2       ARG1051  -5.104 -27.044  -3.976
 1080   1HD   ARG1051          HD1       ARG1051  -5.423 -27.064  -6.335
 1081   2HD   ARG1051          HD2       ARG1051  -4.034 -26.040  -5.992
 1082    HE   ARG1051           HE       ARG1051  -3.055 -28.592  -6.519
 1083   1HH1  ARG1051          2HH1      ARG1051  -4.867 -26.100  -8.195
 1084   2HH1  ARG1051          1HH1      ARG1051  -4.217 -26.501  -9.758
 1085   1HH2  ARG1051          2HH2      ARG1051  -2.249 -29.159  -8.586
 1086   2HH2  ARG1051          1HH2      ARG1051  -2.756 -28.260  -9.985
 1087    HA   PRO1052           HA       PRO1052  -4.365 -30.783   0.063
 1088   1HB   PRO1052          HB1       PRO1052  -6.883 -30.712  -1.559
 1089   2HB   PRO1052          HB2       PRO1052  -6.662 -31.092   0.155
 1090   1HG   PRO1052          HG1       PRO1052  -7.539 -28.701  -0.555
 1091   2HG   PRO1052          HG2       PRO1052  -6.339 -28.860   0.741
 1092   1HD   PRO1052          HD1       PRO1052  -5.983 -27.935  -2.068
 1093   2HD   PRO1052          HD2       PRO1052  -5.139 -27.419  -0.593
 1094    H    HIS1053           H        HIS1053  -5.874 -31.024  -3.164
 1095    HA   HIS1053           HA       HIS1053  -3.992 -33.153  -3.844
 1096   1HB   HIS1053          HB1       HIS1053  -7.005 -33.455  -3.973
 1097   2HB   HIS1053          HB2       HIS1053  -5.860 -34.567  -4.716
 1098    HD1  HIS1053           HD1      HIS1053  -7.618 -33.893  -1.589
 1099    HD2  HIS1053           HD2      HIS1053  -4.189 -35.939  -2.753
 1100    HE1  HIS1053           HE1      HIS1053  -7.026 -35.388   0.346
 1101    HE2  HIS1053           HE2      HIS1053  -4.854 -36.486  -0.313
  Start of MODEL    2
    1   1H    ARG 920           H        ARG 920  -7.716 -20.436  -2.584
    2    HA   ARG 920           HA       ARG 920  -8.466 -19.793   0.186
    3   1HB   ARG 920          HB1       ARG 920  -6.071 -20.033  -0.307
    4   2HB   ARG 920          HB2       ARG 920  -6.209 -18.807  -1.556
    5   1HG   ARG 920          HG1       ARG 920  -5.197 -17.832   0.353
    6   2HG   ARG 920          HG2       ARG 920  -6.819 -17.162   0.170
    7   1HD   ARG 920          HD1       ARG 920  -5.827 -18.004   2.489
    8   2HD   ARG 920          HD2       ARG 920  -7.547 -18.081   2.107
    9    HE   ARG 920           HE       ARG 920  -6.276 -20.478   1.317
   10   1HH1  ARG 920          2HH1      ARG 920  -7.200 -18.711   4.176
   11   2HH1  ARG 920          1HH1      ARG 920  -7.439 -20.124   5.152
   12   1HH2  ARG 920          2HH2      ARG 920  -6.600 -22.383   2.595
   13   2HH2  ARG 920          1HH2      ARG 920  -7.099 -22.212   4.254
   14    H    SER 921           H        SER 921  -9.807 -18.122   0.533
   15    HA   SER 921           HA       SER 921 -10.877 -16.798  -1.798
   16   1HB   SER 921          HB1       SER 921 -11.778 -16.619   1.079
   17   2HB   SER 921          HB2       SER 921 -12.709 -16.176  -0.353
   18    HG   SER 921           HG       SER 921 -13.404 -18.180   0.002
   19    H    ASN 922           H        ASN 922  -8.416 -15.814  -1.482
   20    HA   ASN 922           HA       ASN 922  -7.130 -13.930  -1.156
   21   1HB   ASN 922          HB1       ASN 922  -9.418 -12.153  -1.594
   22   2HB   ASN 922          HB2       ASN 922  -7.878 -12.225  -2.434
   23   1HD2  ASN 922          2HD2      ASN 922  -7.563 -13.692  -4.067
   24   2HD2  ASN 922          1HD2      ASN 922  -8.890 -14.415  -4.921
   25    H    ASP 923           H        ASP 923  -7.648 -14.736   1.180
   26    HA   ASP 923           HA       ASP 923  -9.187 -13.479   3.019
   27   1HB   ASP 923          HB1       ASP 923  -7.441 -15.444   3.170
   28   2HB   ASP 923          HB2       ASP 923  -6.374 -14.172   3.758
   29    H    LYS 924           H        LYS 924  -7.831 -12.370   4.962
   30    HA   LYS 924           HA       LYS 924  -7.828  -9.695   4.747
   31   1HB   LYS 924          HB1       LYS 924  -7.015 -11.528   6.616
   32   2HB   LYS 924          HB2       LYS 924  -5.528 -10.648   6.299
   33   1HG   LYS 924          HG1       LYS 924  -8.043  -9.150   6.863
   34   2HG   LYS 924          HG2       LYS 924  -7.135  -9.881   8.187
   35   1HD   LYS 924          HD1       LYS 924  -5.136  -8.646   7.477
   36   2HD   LYS 924          HD2       LYS 924  -6.070  -7.900   6.178
   37   1HE   LYS 924          HE1       LYS 924  -5.815  -6.470   8.195
   38   2HE   LYS 924          HE2       LYS 924  -7.493  -6.788   7.742
   39   1HZ   LYS 924          HZ1       LYS 924  -5.977  -8.188   9.893
   40   2HZ   LYS 924          HZ2       LYS 924  -7.172  -7.008  10.133
   41   3HZ   LYS 924          HZ3       LYS 924  -7.588  -8.506   9.459
   42    H    VAL 925           H        VAL 925  -5.432 -11.740   3.355
   43    HA   VAL 925           HA       VAL 925  -3.333  -9.981   2.904
   44    HB   VAL 925           HB       VAL 925  -2.790 -11.505   0.983
   45   1HG1  VAL 925          1HG1      VAL 925  -2.393 -13.485   2.407
   46   2HG1  VAL 925          2HG1      VAL 925  -1.974 -11.982   3.231
   47   3HG1  VAL 925          3HG1      VAL 925  -3.479 -12.813   3.622
   48   1HG2  VAL 925          1HG2      VAL 925  -4.125 -13.570   0.753
   49   2HG2  VAL 925          2HG2      VAL 925  -5.337 -12.880   1.833
   50   3HG2  VAL 925          3HG2      VAL 925  -5.015 -12.124   0.273
   51    H    TYR 926           H        TYR 926  -6.131 -10.741   0.705
   52    HA   TYR 926           HA       TYR 926  -5.192  -8.682  -1.157
   53   1HB   TYR 926          HB1       TYR 926  -6.203 -10.587  -2.158
   54   2HB   TYR 926          HB2       TYR 926  -7.543 -10.599  -1.024
   55    HD1  TYR 926           HD1      TYR 926  -9.533  -9.407  -1.466
   56    HD2  TYR 926           HD2      TYR 926  -6.144  -8.874  -3.985
   57    HE1  TYR 926           HE1      TYR 926 -10.943  -8.227  -3.099
   58    HE2  TYR 926           HE2      TYR 926  -7.544  -7.690  -5.626
   59    HH   TYR 926           HH       TYR 926  -9.810  -7.433  -6.277
   60    H    GLU 927           H        GLU 927  -7.640  -9.184   1.281
   61    HA   GLU 927           HA       GLU 927  -9.301  -6.986   0.894
   62   1HB   GLU 927          HB1       GLU 927  -8.539  -8.616   3.300
   63   2HB   GLU 927          HB2       GLU 927  -9.732  -7.337   3.400
   64   1HG   GLU 927          HG1       GLU 927 -11.166  -8.453   1.858
   65   2HG   GLU 927          HG2       GLU 927  -9.919  -9.638   1.478
   66    H    ASN 928           H        ASN 928  -6.530  -7.262   3.110
   67    HA   ASN 928           HA       ASN 928  -6.926  -4.608   4.086
   68   1HB   ASN 928          HB1       ASN 928  -5.981  -6.516   5.388
   69   2HB   ASN 928          HB2       ASN 928  -4.507  -6.352   4.443
   70   1HD2  ASN 928          2HD2      ASN 928  -3.376  -5.958   6.306
   71   2HD2  ASN 928          1HD2      ASN 928  -3.421  -4.415   7.093
   72    H    VAL 929           H        VAL 929  -4.650  -6.044   1.713
   73    HA   VAL 929           HA       VAL 929  -3.234  -3.664   1.269
   74    HB   VAL 929           HB       VAL 929  -3.910  -5.635  -0.914
   75   1HG1  VAL 929          1HG1      VAL 929  -1.634  -3.700  -0.509
   76   2HG1  VAL 929          2HG1      VAL 929  -1.772  -4.849  -1.840
   77   3HG1  VAL 929          3HG1      VAL 929  -2.946  -3.543  -1.676
   78   1HG2  VAL 929          1HG2      VAL 929  -1.826  -6.761  -0.327
   79   2HG2  VAL 929          2HG2      VAL 929  -1.633  -5.685   1.057
   80   3HG2  VAL 929          3HG2      VAL 929  -2.982  -6.819   1.003
   81    H    THR 930           H        THR 930  -6.373  -4.720   0.053
   82    HA   THR 930           HA       THR 930  -6.859  -2.529  -1.657
   83    HB   THR 930           HB       THR 930  -8.876  -3.983   0.080
   84    HG1  THR 930           HG1      THR 930  -7.794  -5.453  -1.264
   85   1HG2  THR 930          1HG2      THR 930 -10.520  -3.284  -1.571
   86   2HG2  THR 930          2HG2      THR 930  -9.713  -1.872  -0.888
   87   3HG2  THR 930          3HG2      THR 930  -9.270  -2.450  -2.494
   88    H    GLY 931           H        GLY 931  -7.150  -3.034   1.785
   89   1HA   GLY 931          HA1       GLY 931  -8.183  -0.589   2.618
   90   2HA   GLY 931          HA2       GLY 931  -7.094  -1.590   3.563
   91    H    LEU 932           H        LEU 932  -4.851  -1.372   1.636
   92    HA   LEU 932           HA       LEU 932  -3.680   1.029   2.556
   93   1HB   LEU 932          HB1       LEU 932  -2.720  -1.230   1.446
   94   2HB   LEU 932          HB2       LEU 932  -2.720  -0.205   0.027
   95    HG   LEU 932           HG       LEU 932  -1.290   0.461   2.606
   96   1HD1  LEU 932          1HD1      LEU 932  -0.199  -0.658   0.029
   97   2HD1  LEU 932          2HD1      LEU 932   0.758  -0.130   1.413
   98   3HD1  LEU 932          3HD1      LEU 932  -0.324  -1.514   1.565
   99   1HD2  LEU 932          1HD2      LEU 932  -1.891   2.426   1.283
  100   2HD2  LEU 932          2HD2      LEU 932  -0.149   2.153   1.266
  101   3HD2  LEU 932          3HD2      LEU 932  -1.125   1.712  -0.136
  102    H    VAL 933           H        VAL 933  -5.335   0.080  -0.383
  103    HA   VAL 933           HA       VAL 933  -5.046   2.543  -1.763
  104    HB   VAL 933           HB       VAL 933  -7.267   0.522  -2.118
  105   1HG1  VAL 933          1HG1      VAL 933  -7.601   2.682  -3.242
  106   2HG1  VAL 933          2HG1      VAL 933  -6.050   2.486  -4.058
  107   3HG1  VAL 933          3HG1      VAL 933  -7.370   1.366  -4.394
  108   1HG2  VAL 933          1HG2      VAL 933  -5.098  -0.600  -2.210
  109   2HG2  VAL 933          2HG2      VAL 933  -5.854  -0.541  -3.803
  110   3HG2  VAL 933          3HG2      VAL 933  -4.540   0.568  -3.409
  111    H    LYS 934           H        LYS 934  -7.556   1.166   0.306
  112    HA   LYS 934           HA       LYS 934  -9.424   3.221   0.196
  113   1HB   LYS 934          HB1       LYS 934  -8.768   1.574   2.647
  114   2HB   LYS 934          HB2       LYS 934 -10.281   2.394   2.313
  115   1HG   LYS 934          HG1       LYS 934  -9.180   0.048   0.768
  116   2HG   LYS 934          HG2       LYS 934 -10.445  -0.029   1.991
  117   1HD   LYS 934          HD1       LYS 934 -11.664  -0.014   0.027
  118   2HD   LYS 934          HD2       LYS 934 -11.661   1.694   0.468
  119   1HE   LYS 934          HE1       LYS 934  -9.810   2.091  -1.074
  120   2HE   LYS 934          HE2       LYS 934  -9.786   0.380  -1.498
  121   1HZ   LYS 934          HZ1       LYS 934 -11.921   0.562  -2.489
  122   2HZ   LYS 934          HZ2       LYS 934 -12.143   2.140  -1.903
  123   3HZ   LYS 934          HZ3       LYS 934 -10.980   1.833  -3.099
  124    H    ALA 935           H        ALA 935  -6.482   2.900   2.060
  125    HA   ALA 935           HA       ALA 935  -6.956   5.249   3.637
  126   1HB   ALA 935          HB1       ALA 935  -4.740   4.873   4.526
  127   2HB   ALA 935          HB2       ALA 935  -5.674   3.377   4.514
  128   3HB   ALA 935          HB3       ALA 935  -4.434   3.654   3.290
  129    H    VAL 936           H        VAL 936  -5.338   4.581   0.576
  130    HA   VAL 936           HA       VAL 936  -4.299   7.273   0.549
  131    HB   VAL 936           HB       VAL 936  -3.101   5.474  -0.648
  132   1HG1  VAL 936          1HG1      VAL 936  -3.874   4.706  -2.817
  133   2HG1  VAL 936          2HG1      VAL 936  -5.059   4.307  -1.574
  134   3HG1  VAL 936          3HG1      VAL 936  -5.345   5.666  -2.658
  135   1HG2  VAL 936          1HG2      VAL 936  -2.552   6.808  -2.628
  136   2HG2  VAL 936          2HG2      VAL 936  -3.989   7.794  -2.359
  137   3HG2  VAL 936          3HG2      VAL 936  -2.680   7.803  -1.177
  138    H    ILE 937           H        ILE 937  -7.225   5.686  -0.218
  139    HA   ILE 937           HA       ILE 937  -8.428   7.834  -1.632
  140    HB   ILE 937           HB       ILE 937  -9.668   5.770   0.201
  141   1HG1  ILE 937          1HG1      ILE 937  -8.680   4.794  -1.799
  142   2HG1  ILE 937          2HG1      ILE 937 -10.435   4.733  -1.912
  143   1HG2  ILE 937          1HG2      ILE 937 -11.091   7.735   0.111
  144   2HG2  ILE 937          2HG2      ILE 937 -11.034   7.717  -1.651
  145   3HG2  ILE 937          3HG2      ILE 937 -11.824   6.403  -0.782
  146   1HD1  ILE 937          1HD1      ILE 937  -9.402   5.347  -4.032
  147   2HD1  ILE 937          2HD1      ILE 937 -10.417   6.647  -3.407
  148   3HD1  ILE 937          3HD1      ILE 937  -8.663   6.753  -3.266
  149    H    GLU 938           H        GLU 938  -8.043   7.010   1.782
  150    HA   GLU 938           HA       GLU 938  -9.121   9.206   3.042
  151   1HB   GLU 938          HB1       GLU 938  -6.526   7.780   3.662
  152   2HB   GLU 938          HB2       GLU 938  -7.248   8.983   4.720
  153   1HG   GLU 938          HG1       GLU 938  -8.614   6.433   3.874
  154   2HG   GLU 938          HG2       GLU 938  -7.725   6.642   5.383
  155    H    MET 939           H        MET 939  -6.070   9.001   1.290
  156    HA   MET 939           HA       MET 939  -5.095  11.557   1.950
  157   1HB   MET 939          HB1       MET 939  -3.646   9.931   0.897
  158   2HB   MET 939          HB2       MET 939  -4.677   9.865  -0.523
  159   1HG   MET 939          HG1       MET 939  -3.373  12.434   0.272
  160   2HG   MET 939          HG2       MET 939  -2.464  11.198  -0.594
  161   1HE   MET 939          HE1       MET 939  -4.442  10.911  -3.957
  162   2HE   MET 939          HE2       MET 939  -3.032  10.371  -3.042
  163   3HE   MET 939          HE3       MET 939  -4.652   9.925  -2.512
  164    H    SER 940           H        SER 940  -7.272  10.431  -0.582
  165    HA   SER 940           HA       SER 940  -7.528  12.989  -1.829
  166   1HB   SER 940          HB1       SER 940  -9.246  10.513  -2.073
  167   2HB   SER 940          HB2       SER 940  -9.326  11.921  -3.131
  168    HG   SER 940           HG       SER 940  -6.818  10.786  -2.788
  169    H    SER 941           H        SER 941  -9.234  11.340   0.773
  170    HA   SER 941           HA       SER 941 -11.483  13.158   0.658
  171   1HB   SER 941          HB1       SER 941 -12.063  12.086   2.880
  172   2HB   SER 941          HB2       SER 941 -11.946  10.962   1.527
  173    HG   SER 941           HG       SER 941 -10.804  10.048   3.159
  174    H    LYS 942           H        LYS 942  -8.644  12.594   2.600
  175    HA   LYS 942           HA       LYS 942  -8.733  14.668   4.397
  176   1HB   LYS 942          HB1       LYS 942  -6.661  12.993   3.176
  177   2HB   LYS 942          HB2       LYS 942  -6.075  14.561   3.721
  178   1HG   LYS 942          HG1       LYS 942  -7.672  12.704   5.457
  179   2HG   LYS 942          HG2       LYS 942  -5.904  12.718   5.396
  180   1HD   LYS 942          HD1       LYS 942  -5.740  14.759   6.385
  181   2HD   LYS 942          HD2       LYS 942  -7.308  15.296   5.763
  182   1HE   LYS 942          HE1       LYS 942  -7.477  15.021   8.151
  183   2HE   LYS 942          HE2       LYS 942  -8.411  13.748   7.367
  184   1HZ   LYS 942          HZ1       LYS 942  -7.122  12.881   9.206
  185   2HZ   LYS 942          HZ2       LYS 942  -6.572  12.215   7.748
  186   3HZ   LYS 942          HZ3       LYS 942  -5.688  13.453   8.510
  187    H    ILE 943           H        ILE 943  -7.343  14.723   1.115
  188    HA   ILE 943           HA       ILE 943  -6.394  17.350   1.361
  189    HB   ILE 943           HB       ILE 943  -5.553  15.725  -0.325
  190   1HG1  ILE 943          1HG1      ILE 943  -6.556  18.324  -1.505
  191   2HG1  ILE 943          2HG1      ILE 943  -5.092  18.136  -0.547
  192   1HG2  ILE 943          1HG2      ILE 943  -7.657  14.788  -1.077
  193   2HG2  ILE 943          2HG2      ILE 943  -8.128  16.340  -1.769
  194   3HG2  ILE 943          3HG2      ILE 943  -6.762  15.450  -2.444
  195   1HD1  ILE 943          1HD1      ILE 943  -5.622  16.879  -3.231
  196   2HD1  ILE 943          2HD1      ILE 943  -4.584  18.269  -2.914
  197   3HD1  ILE 943          3HD1      ILE 943  -4.153  16.683  -2.275
  198    H    GLN 944           H        GLN 944  -9.555  16.130   0.564
  199    HA   GLN 944           HA       GLN 944 -10.621  18.306  -0.789
  200   1HB   GLN 944          HB1       GLN 944 -11.979  16.477   1.192
  201   2HB   GLN 944          HB2       GLN 944 -12.825  17.611   0.145
  202   1HG   GLN 944          HG1       GLN 944 -12.119  16.448  -1.810
  203   2HG   GLN 944          HG2       GLN 944 -11.026  15.427  -0.875
  204   1HE2  GLN 944          2HE2      GLN 944 -11.967  13.542  -1.566
  205   2HE2  GLN 944          1HE2      GLN 944 -13.529  13.025  -1.039
  206    HA   PRO 945           HA       PRO 945 -11.364  20.791   3.090
  207   1HB   PRO 945          HB1       PRO 945 -11.720  19.781   5.508
  208   2HB   PRO 945          HB2       PRO 945 -12.931  19.514   4.247
  209   1HG   PRO 945          HG1       PRO 945 -10.867  17.648   5.318
  210   2HG   PRO 945          HG2       PRO 945 -12.518  17.304   4.772
  211   1HD   PRO 945          HD1       PRO 945 -10.137  16.994   3.280
  212   2HD   PRO 945          HD2       PRO 945 -11.797  16.890   2.665
  213    H    ALA 946           H        ALA 946  -8.569  19.527   2.566
  214    HA   ALA 946           HA       ALA 946  -7.328  20.289   5.128
  215   1HB   ALA 946          HB1       ALA 946  -7.028  17.936   4.511
  216   2HB   ALA 946          HB2       ALA 946  -6.195  18.447   3.043
  217   3HB   ALA 946          HB3       ALA 946  -5.502  18.813   4.623
  218    HA   PRO 947           HA       PRO 947  -4.700  23.166   2.881
  219   1HB   PRO 947          HB1       PRO 947  -3.571  24.250   5.041
  220   2HB   PRO 947          HB2       PRO 947  -5.265  24.585   4.664
  221   1HG   PRO 947          HG1       PRO 947  -4.106  22.719   6.684
  222   2HG   PRO 947          HG2       PRO 947  -5.523  23.776   6.817
  223   1HD   PRO 947          HD1       PRO 947  -5.579  21.053   6.232
  224   2HD   PRO 947          HD2       PRO 947  -6.898  22.201   5.932
  225    HA   PRO 948           HA       PRO 948  -0.604  21.262   2.885
  226   1HB   PRO 948          HB1       PRO 948   1.014  23.032   4.353
  227   2HB   PRO 948          HB2       PRO 948   0.773  23.039   2.605
  228   1HG   PRO 948          HG1       PRO 948  -0.529  24.699   4.705
  229   2HG   PRO 948          HG2       PRO 948  -0.094  25.127   3.040
  230   1HD   PRO 948          HD1       PRO 948  -2.635  24.645   3.736
  231   2HD   PRO 948          HD2       PRO 948  -1.999  24.134   2.158
  232    H    GLU 949           H        GLU 949  -1.643  22.577   5.945
  233    HA   GLU 949           HA       GLU 949  -0.030  21.259   7.746
  234   1HB   GLU 949          HB1       GLU 949  -2.978  21.869   7.978
  235   2HB   GLU 949          HB2       GLU 949  -1.950  21.404   9.323
  236   1HG   GLU 949          HG1       GLU 949  -0.586  23.427   8.916
  237   2HG   GLU 949          HG2       GLU 949  -1.742  23.906   7.669
  238    H    GLU 950           H        GLU 950  -2.879  20.064   6.016
  239    HA   GLU 950           HA       GLU 950  -2.524  17.473   7.341
  240   1HB   GLU 950          HB1       GLU 950  -4.906  18.548   5.849
  241   2HB   GLU 950          HB2       GLU 950  -4.780  16.922   6.520
  242   1HG   GLU 950          HG1       GLU 950  -4.429  17.923   8.757
  243   2HG   GLU 950          HG2       GLU 950  -4.715  19.513   8.055
  244    H    TYR 951           H        TYR 951  -1.436  18.910   4.654
  245    HA   TYR 951           HA       TYR 951  -1.787  16.834   2.753
  246   1HB   TYR 951          HB1       TYR 951   0.277  18.999   3.074
  247   2HB   TYR 951          HB2       TYR 951   0.483  17.741   1.861
  248    HD1  TYR 951           HD1      TYR 951  -2.671  17.603   1.458
  249    HD2  TYR 951           HD2      TYR 951   0.228  20.698   1.304
  250    HE1  TYR 951           HE1      TYR 951  -4.096  18.848  -0.104
  251    HE2  TYR 951           HE2      TYR 951  -1.190  21.955  -0.256
  252    HH   TYR 951           HH       TYR 951  -4.451  21.115  -0.860
  253    H    VAL 952           H        VAL 952   0.545  17.447   5.342
  254    HA   VAL 952           HA       VAL 952   1.855  14.954   4.794
  255    HB   VAL 952           HB       VAL 952   3.391  16.282   5.774
  256   1HG1  VAL 952          1HG1      VAL 952   2.004  18.144   6.393
  257   2HG1  VAL 952          2HG1      VAL 952   1.340  17.246   7.758
  258   3HG1  VAL 952          3HG1      VAL 952   3.038  17.720   7.757
  259   1HG2  VAL 952          1HG2      VAL 952   2.260  14.775   8.123
  260   2HG2  VAL 952          2HG2      VAL 952   3.451  14.191   6.961
  261   3HG2  VAL 952          3HG2      VAL 952   3.866  15.503   8.065
  262    HA   PRO 953           HA       PRO 953  -0.866  13.311   8.580
  263   1HB   PRO 953          HB1       PRO 953  -3.182  15.039   7.897
  264   2HB   PRO 953          HB2       PRO 953  -2.729  14.333   9.458
  265   1HG   PRO 953          HG1       PRO 953  -2.247  16.888   8.988
  266   2HG   PRO 953          HG2       PRO 953  -1.032  15.890   9.813
  267   1HD   PRO 953          HD1       PRO 953  -1.088  16.862   6.989
  268   2HD   PRO 953          HD2       PRO 953   0.290  16.662   8.088
  269    H    MET 954           H        MET 954  -2.044  14.394   5.388
  270    HA   MET 954           HA       MET 954  -3.871  12.203   5.214
  271   1HB   MET 954          HB1       MET 954  -4.235  12.780   2.928
  272   2HB   MET 954          HB2       MET 954  -4.123  14.272   3.844
  273   1HG   MET 954          HG1       MET 954  -1.827  14.565   3.068
  274   2HG   MET 954          HG2       MET 954  -1.963  13.075   2.132
  275   1HE   MET 954          HE1       MET 954  -4.888  15.557   2.690
  276   2HE   MET 954          HE2       MET 954  -3.502  16.648   2.684
  277   3HE   MET 954          HE3       MET 954  -4.676  16.709   1.370
  278    H    VAL 955           H        VAL 955  -0.560  12.767   4.042
  279    HA   VAL 955           HA       VAL 955  -0.211  10.180   3.069
  280    HB   VAL 955           HB       VAL 955   1.481  12.213   3.074
  281   1HG1  VAL 955          1HG1      VAL 955   2.512  10.537   5.356
  282   2HG1  VAL 955          2HG1      VAL 955   3.399  11.819   4.532
  283   3HG1  VAL 955          3HG1      VAL 955   1.951  12.205   5.458
  284   1HG2  VAL 955          1HG2      VAL 955   1.635  10.197   1.727
  285   2HG2  VAL 955          2HG2      VAL 955   3.215  10.638   2.373
  286   3HG2  VAL 955          3HG2      VAL 955   2.303   9.314   3.100
  287    H    LYS 956           H        LYS 956  -0.338  11.355   6.344
  288    HA   LYS 956           HA       LYS 956   0.755   9.118   7.663
  289   1HB   LYS 956          HB1       LYS 956   0.082  11.217   8.800
  290   2HB   LYS 956          HB2       LYS 956  -1.604  10.795   8.544
  291   1HG   LYS 956          HG1       LYS 956  -1.155   8.703   9.878
  292   2HG   LYS 956          HG2       LYS 956   0.402   9.416  10.300
  293   1HD   LYS 956          HD1       LYS 956  -2.332  10.547  10.899
  294   2HD   LYS 956          HD2       LYS 956  -1.193   9.863  12.058
  295   1HE   LYS 956          HE1       LYS 956  -0.799  12.369  10.425
  296   2HE   LYS 956          HE2       LYS 956  -1.150  12.291  12.150
  297   1HZ   LYS 956          HZ1       LYS 956   0.971  11.127  12.465
  298   2HZ   LYS 956          HZ2       LYS 956   1.302  11.286  10.814
  299   3HZ   LYS 956          HZ3       LYS 956   1.188  12.665  11.784
  300    H    GLU 957           H        GLU 957  -2.422   9.749   6.360
  301    HA   GLU 957           HA       GLU 957  -3.793   7.477   7.170
  302   1HB   GLU 957          HB1       GLU 957  -4.138   8.757   4.458
  303   2HB   GLU 957          HB2       GLU 957  -5.355   7.935   5.421
  304   1HG   GLU 957          HG1       GLU 957  -4.017  10.459   6.336
  305   2HG   GLU 957          HG2       GLU 957  -5.456  10.464   5.326
  306    H    VAL 958           H        VAL 958  -1.898   7.898   4.122
  307    HA   VAL 958           HA       VAL 958  -2.193   5.148   3.400
  308    HB   VAL 958           HB       VAL 958  -0.659   5.519   1.596
  309   1HG1  VAL 958          1HG1      VAL 958  -2.259   8.025   2.095
  310   2HG1  VAL 958          2HG1      VAL 958  -1.603   7.511   0.539
  311   3HG1  VAL 958          3HG1      VAL 958  -2.840   6.541   1.341
  312   1HG2  VAL 958          1HG2      VAL 958   1.126   6.641   2.825
  313   2HG2  VAL 958          2HG2      VAL 958   0.685   7.557   1.383
  314   3HG2  VAL 958          3HG2      VAL 958   0.134   8.092   2.971
  315    H    GLY 959           H        GLY 959   0.008   6.846   5.484
  316   1HA   GLY 959          HA1       GLY 959   2.047   4.834   5.499
  317   2HA   GLY 959          HA2       GLY 959   1.829   6.098   6.703
  318    H    LEU 960           H        LEU 960  -0.593   5.626   7.734
  319    HA   LEU 960           HA       LEU 960  -0.457   3.341   9.324
  320   1HB   LEU 960          HB1       LEU 960  -2.911   4.895   8.484
  321   2HB   LEU 960          HB2       LEU 960  -2.852   3.744   9.805
  322    HG   LEU 960           HG       LEU 960  -1.269   6.313   9.676
  323   1HD1  LEU 960          1HD1      LEU 960  -3.683   6.684   9.933
  324   2HD1  LEU 960          2HD1      LEU 960  -3.687   5.607  11.329
  325   3HD1  LEU 960          3HD1      LEU 960  -2.785   7.120  11.386
  326   1HD2  LEU 960          1HD2      LEU 960  -0.138   4.569  10.948
  327   2HD2  LEU 960          2HD2      LEU 960  -0.750   5.829  12.019
  328   3HD2  LEU 960          3HD2      LEU 960  -1.603   4.291  11.889
  329    H    ALA 961           H        ALA 961  -1.689   3.797   6.138
  330    HA   ALA 961           HA       ALA 961  -3.108   1.384   5.807
  331   1HB   ALA 961          HB1       ALA 961  -2.738   1.685   3.407
  332   2HB   ALA 961          HB2       ALA 961  -3.253   3.182   4.186
  333   3HB   ALA 961          HB3       ALA 961  -1.559   2.949   3.754
  334    H    LEU 962           H        LEU 962   0.273   2.151   4.876
  335    HA   LEU 962           HA       LEU 962   0.973  -0.503   4.307
  336   1HB   LEU 962          HB1       LEU 962   2.224   1.438   3.534
  337   2HB   LEU 962          HB2       LEU 962   2.696   1.820   5.178
  338    HG   LEU 962           HG       LEU 962   4.458   0.772   3.696
  339   1HD1  LEU 962          1HD1      LEU 962   5.370  -0.657   5.448
  340   2HD1  LEU 962          2HD1      LEU 962   4.721   0.844   6.109
  341   3HD1  LEU 962          3HD1      LEU 962   3.807  -0.656   6.268
  342   1HD2  LEU 962          1HD2      LEU 962   3.066  -0.872   2.589
  343   2HD2  LEU 962          2HD2      LEU 962   4.396  -1.659   3.439
  344   3HD2  LEU 962          3HD2      LEU 962   2.771  -1.687   4.126
  345    H    ARG 963           H        ARG 963   1.176   1.331   7.391
  346    HA   ARG 963           HA       ARG 963   2.266  -0.629   8.990
  347   1HB   ARG 963          HB1       ARG 963   0.096   1.367   9.639
  348   2HB   ARG 963          HB2       ARG 963   0.897   0.380  10.852
  349   1HG   ARG 963          HG1       ARG 963   2.236   2.377   9.037
  350   2HG   ARG 963          HG2       ARG 963   1.863   2.613  10.747
  351   1HD   ARG 963          HD1       ARG 963   3.379   0.871  11.379
  352   2HD   ARG 963          HD2       ARG 963   3.626   0.408   9.696
  353    HE   ARG 963           HE       ARG 963   4.357   3.127  10.150
  354   1HH1  ARG 963          2HH1      ARG 963   5.442  -0.159  10.721
  355   2HH1  ARG 963          1HH1      ARG 963   7.135   0.243  10.602
  356   1HH2  ARG 963          2HH2      ARG 963   6.583   3.661  10.006
  357   2HH2  ARG 963          1HH2      ARG 963   7.781   2.414  10.212
  358    H    THR 964           H        THR 964  -1.262  -0.122   8.659
  359    HA   THR 964           HA       THR 964  -2.096  -2.509   9.799
  360    HB   THR 964           HB       THR 964  -4.046  -2.389   8.065
  361    HG1  THR 964           HG1      THR 964  -2.985   0.234   7.756
  362   1HG2  THR 964          1HG2      THR 964  -3.563  -0.150  10.025
  363   2HG2  THR 964          2HG2      THR 964  -5.124  -0.611   9.343
  364   3HG2  THR 964          3HG2      THR 964  -4.258  -1.727  10.398
  365    H    LEU 965           H        LEU 965  -1.075  -1.873   6.510
  366    HA   LEU 965           HA       LEU 965  -1.559  -4.347   5.348
  367   1HB   LEU 965          HB1       LEU 965  -0.969  -2.357   4.089
  368   2HB   LEU 965          HB2       LEU 965   0.621  -2.334   4.815
  369    HG   LEU 965           HG       LEU 965   0.381  -3.159   2.399
  370   1HD1  LEU 965          1HD1      LEU 965   2.183  -4.773   2.694
  371   2HD1  LEU 965          2HD1      LEU 965   2.428  -3.350   3.706
  372   3HD1  LEU 965          3HD1      LEU 965   1.839  -4.850   4.423
  373   1HD2  LEU 965          1HD2      LEU 965  -0.115  -5.532   2.151
  374   2HD2  LEU 965          2HD2      LEU 965  -0.526  -5.633   3.864
  375   3HD2  LEU 965          3HD2      LEU 965  -1.510  -4.652   2.776
  376    H    LEU 966           H        LEU 966   1.066  -3.305   7.416
  377    HA   LEU 966           HA       LEU 966   2.829  -5.465   6.884
  378   1HB   LEU 966          HB1       LEU 966   3.528  -3.356   7.972
  379   2HB   LEU 966          HB2       LEU 966   2.612  -3.808   9.398
  380    HG   LEU 966           HG       LEU 966   4.078  -5.788   9.681
  381   1HD1  LEU 966          1HD1      LEU 966   5.636  -4.561   7.411
  382   2HD1  LEU 966          2HD1      LEU 966   6.166  -5.912   8.413
  383   3HD1  LEU 966          3HD1      LEU 966   4.758  -6.089   7.366
  384   1HD2  LEU 966          1HD2      LEU 966   6.066  -4.540  10.414
  385   2HD2  LEU 966          2HD2      LEU 966   5.467  -3.119   9.556
  386   3HD2  LEU 966          3HD2      LEU 966   4.560  -3.774  10.919
  387    H    ALA 967           H        ALA 967   0.099  -5.072   9.041
  388    HA   ALA 967           HA       ALA 967   0.420  -7.470  10.511
  389   1HB   ALA 967          HB1       ALA 967  -1.973  -7.302  10.982
  390   2HB   ALA 967          HB2       ALA 967  -1.178  -5.737  11.165
  391   3HB   ALA 967          HB3       ALA 967  -2.140  -6.075   9.725
  392    H    THR 968           H        THR 968  -1.181  -6.760   7.445
  393    HA   THR 968           HA       THR 968  -2.016  -9.401   6.858
  394    HB   THR 968           HB       THR 968  -1.461  -6.999   5.144
  395    HG1  THR 968           HG1      THR 968  -3.904  -8.288   5.126
  396   1HG2  THR 968          1HG2      THR 968  -2.437  -9.683   4.157
  397   2HG2  THR 968          2HG2      THR 968  -2.317  -8.202   3.209
  398   3HG2  THR 968          3HG2      THR 968  -0.856  -8.984   3.810
  399    H    VAL 969           H        VAL 969   0.961  -7.648   6.240
  400    HA   VAL 969           HA       VAL 969   2.351  -9.532   4.775
  401    HB   VAL 969           HB       VAL 969   3.441  -7.700   6.919
  402   1HG1  VAL 969          1HG1      VAL 969   5.012  -9.512   6.541
  403   2HG1  VAL 969          2HG1      VAL 969   4.914  -9.266   4.798
  404   3HG1  VAL 969          3HG1      VAL 969   5.628  -8.022   5.827
  405   1HG2  VAL 969          1HG2      VAL 969   4.111  -6.321   4.995
  406   2HG2  VAL 969          2HG2      VAL 969   3.293  -7.454   3.917
  407   3HG2  VAL 969          3HG2      VAL 969   2.363  -6.529   5.098
  408    H    ASP 970           H        ASP 970   1.584  -9.561   8.201
  409    HA   ASP 970           HA       ASP 970   3.275 -11.797   8.815
  410   1HB   ASP 970          HB1       ASP 970   2.611 -10.229  10.566
  411   2HB   ASP 970          HB2       ASP 970   0.916 -10.626  10.311
  412    H    GLU 971           H        GLU 971   0.013 -11.426   7.700
  413    HA   GLU 971           HA       GLU 971  -0.832 -14.127   8.022
  414   1HB   GLU 971          HB1       GLU 971  -1.587 -12.262   5.754
  415   2HB   GLU 971          HB2       GLU 971  -2.516 -13.626   6.362
  416   1HG   GLU 971          HG1       GLU 971  -1.885 -11.200   8.014
  417   2HG   GLU 971          HG2       GLU 971  -3.340 -11.351   7.025
  418    H    SER 972           H        SER 972   0.510 -12.375   5.279
  419    HA   SER 972           HA       SER 972   0.990 -14.627   3.683
  420   1HB   SER 972          HB1       SER 972   2.426 -12.924   2.428
  421   2HB   SER 972          HB2       SER 972   0.693 -12.587   2.587
  422    HG   SER 972           HG       SER 972   2.636 -11.584   4.402
  423    H    LEU 973           H        LEU 973   2.729 -13.249   6.331
  424    HA   LEU 973           HA       LEU 973   5.344 -13.910   5.705
  425   1HB   LEU 973          HB1       LEU 973   4.685 -12.584   7.672
  426   2HB   LEU 973          HB2       LEU 973   4.071 -14.037   8.436
  427    HG   LEU 973           HG       LEU 973   6.354 -14.984   8.452
  428   1HD1  LEU 973          1HD1      LEU 973   7.228 -13.783   6.501
  429   2HD1  LEU 973          2HD1      LEU 973   7.178 -12.276   7.414
  430   3HD1  LEU 973          3HD1      LEU 973   8.262 -13.572   7.917
  431   1HD2  LEU 973          1HD2      LEU 973   7.244 -13.548  10.201
  432   2HD2  LEU 973          2HD2      LEU 973   6.155 -12.250   9.708
  433   3HD2  LEU 973          3HD2      LEU 973   5.501 -13.741  10.385
  434    HA   PRO 974           HA       PRO 974   4.740 -18.445   7.374
  435   1HB   PRO 974          HB1       PRO 974   1.788 -18.701   7.264
  436   2HB   PRO 974          HB2       PRO 974   2.933 -19.363   8.438
  437   1HG   PRO 974          HG1       PRO 974   1.365 -17.314   9.081
  438   2HG   PRO 974          HG2       PRO 974   3.046 -17.392   9.643
  439   1HD   PRO 974          HD1       PRO 974   1.872 -15.792   7.398
  440   2HD   PRO 974          HD2       PRO 974   3.076 -15.313   8.611
  441    H    VAL 975           H        VAL 975   2.563 -16.808   5.168
  442    HA   VAL 975           HA       VAL 975   2.500 -18.958   3.231
  443    HB   VAL 975           HB       VAL 975   1.977 -16.014   2.799
  444   1HG1  VAL 975          1HG1      VAL 975   1.201 -18.427   1.166
  445   2HG1  VAL 975          2HG1      VAL 975   0.687 -16.769   0.855
  446   3HG1  VAL 975          3HG1      VAL 975   2.391 -17.206   0.721
  447   1HG2  VAL 975          1HG2      VAL 975  -0.386 -16.586   3.063
  448   2HG2  VAL 975          2HG2      VAL 975   0.057 -18.253   3.435
  449   3HG2  VAL 975          3HG2      VAL 975   0.528 -16.951   4.528
  450    H    LEU 976           H        LEU 976   4.904 -16.767   4.176
  451    HA   LEU 976           HA       LEU 976   6.182 -16.468   1.646
  452   1HB   LEU 976          HB1       LEU 976   6.522 -14.728   3.163
  453   2HB   LEU 976          HB2       LEU 976   7.000 -15.804   4.461
  454    HG   LEU 976           HG       LEU 976   8.717 -15.546   2.012
  455   1HD1  LEU 976          1HD1      LEU 976   8.678 -13.661   4.366
  456   2HD1  LEU 976          2HD1      LEU 976   9.899 -13.693   3.094
  457   3HD1  LEU 976          3HD1      LEU 976   8.233 -13.262   2.707
  458   1HD2  LEU 976          1HD2      LEU 976   9.321 -16.039   4.930
  459   2HD2  LEU 976          2HD2      LEU 976   9.288 -17.261   3.658
  460   3HD2  LEU 976          3HD2      LEU 976  10.505 -15.985   3.624
  461    HA   PRO 977           HA       PRO 977   9.169 -19.979   3.179
  462   1HB   PRO 977          HB1       PRO 977   7.474 -21.293   5.229
  463   2HB   PRO 977          HB2       PRO 977   9.222 -21.029   5.217
  464   1HG   PRO 977          HG1       PRO 977   7.647 -19.600   6.813
  465   2HG   PRO 977          HG2       PRO 977   9.027 -18.847   5.986
  466   1HD   PRO 977          HD1       PRO 977   6.112 -18.745   5.286
  467   2HD   PRO 977          HD2       PRO 977   7.316 -17.439   5.281
  468    H    ALA 978           H        ALA 978   5.695 -20.092   3.184
  469    HA   ALA 978           HA       ALA 978   5.410 -22.622   1.932
  470   1HB   ALA 978          HB1       ALA 978   3.540 -20.255   1.876
  471   2HB   ALA 978          HB2       ALA 978   3.132 -21.914   1.445
  472   3HB   ALA 978          HB3       ALA 978   3.565 -21.516   3.107
  473    H    SER 979           H        SER 979   5.023 -19.331   0.505
  474    HA   SER 979           HA       SER 979   6.265 -20.171  -1.947
  475   1HB   SER 979          HB1       SER 979   3.265 -20.010  -1.718
  476   2HB   SER 979          HB2       SER 979   4.082 -19.773  -3.270
  477    HG   SER 979           HG       SER 979   4.965 -21.982  -1.905
  478    H    THR 980           H        THR 980   4.460 -17.697  -0.196
  479    HA   THR 980           HA       THR 980   4.487 -15.751  -2.257
  480    HB   THR 980           HB       THR 980   2.975 -15.790  -0.165
  481    HG1  THR 980           HG1      THR 980   3.266 -13.260  -0.317
  482   1HG2  THR 980          1HG2      THR 980   3.708 -14.245   1.605
  483   2HG2  THR 980          2HG2      THR 980   4.722 -15.687   1.535
  484   3HG2  THR 980          3HG2      THR 980   5.306 -14.165   0.861
  485    H    HIS 981           H        HIS 981   7.060 -16.821  -0.351
  486    HA   HIS 981           HA       HIS 981   8.460 -14.582   0.439
  487   1HB   HIS 981          HB1       HIS 981   9.316 -16.662   1.114
  488   2HB   HIS 981          HB2       HIS 981   9.332 -17.297  -0.522
  489    HD1  HIS 981           HD1      HIS 981  11.347 -15.099   1.812
  490    HD2  HIS 981           HD2      HIS 981  11.665 -16.881  -1.938
  491    HE1  HIS 981           HE1      HIS 981  13.744 -14.810   1.118
  492    HE2  HIS 981           HE2      HIS 981  13.902 -15.840  -1.178
  493    H    ARG 982           H        ARG 982   7.893 -15.629  -2.760
  494    HA   ARG 982           HA       ARG 982  10.072 -14.110  -3.927
  495   1HB   ARG 982          HB1       ARG 982   8.913 -14.600  -6.106
  496   2HB   ARG 982          HB2       ARG 982   9.400 -16.018  -5.191
  497   1HG   ARG 982          HG1       ARG 982   7.215 -16.555  -4.617
  498   2HG   ARG 982          HG2       ARG 982   6.623 -14.928  -4.957
  499   1HD   ARG 982          HD1       ARG 982   5.887 -16.440  -6.686
  500   2HD   ARG 982          HD2       ARG 982   7.052 -15.296  -7.350
  501    HE   ARG 982           HE       ARG 982   8.503 -17.530  -6.613
  502   1HH1  ARG 982          2HH1      ARG 982   5.883 -16.779  -8.806
  503   2HH1  ARG 982          1HH1      ARG 982   6.290 -18.038  -9.929
  504   1HH2  ARG 982          2HH2      ARG 982   9.074 -19.163  -8.105
  505   2HH2  ARG 982          1HH2      ARG 982   8.123 -19.374  -9.551
  506    H    GLU 983           H        GLU 983   6.511 -13.804  -3.884
  507    HA   GLU 983           HA       GLU 983   6.593 -11.244  -5.120
  508   1HB   GLU 983          HB1       GLU 983   4.660 -13.158  -4.839
  509   2HB   GLU 983          HB2       GLU 983   4.120 -11.919  -3.727
  510   1HG   GLU 983          HG1       GLU 983   3.187 -10.966  -5.522
  511   2HG   GLU 983          HG2       GLU 983   4.838 -10.448  -5.912
  512    H    ILE 984           H        ILE 984   5.938 -12.340  -1.802
  513    HA   ILE 984           HA       ILE 984   5.018  -9.904  -0.812
  514    HB   ILE 984           HB       ILE 984   4.865 -12.047   0.428
  515   1HG1  ILE 984          1HG1      ILE 984   6.219  -9.789   1.928
  516   2HG1  ILE 984          2HG1      ILE 984   4.498  -9.922   1.591
  517   1HG2  ILE 984          1HG2      ILE 984   7.802 -11.592   0.961
  518   2HG2  ILE 984          2HG2      ILE 984   6.795 -12.785   1.781
  519   3HG2  ILE 984          3HG2      ILE 984   7.089 -12.923   0.047
  520   1HD1  ILE 984          1HD1      ILE 984   4.382 -11.927   2.977
  521   2HD1  ILE 984          2HD1      ILE 984   6.106 -11.785   3.322
  522   3HD1  ILE 984          3HD1      ILE 984   4.988 -10.540   3.882
  523    H    GLU 985           H        GLU 985   8.260 -11.087  -1.308
  524    HA   GLU 985           HA       GLU 985   9.561  -8.931   0.007
  525   1HB   GLU 985          HB1       GLU 985  10.370 -11.251  -1.622
  526   2HB   GLU 985          HB2       GLU 985  11.459  -9.868  -1.667
  527   1HG   GLU 985          HG1       GLU 985  10.468 -11.111   0.882
  528   2HG   GLU 985          HG2       GLU 985  11.977 -11.574   0.088
  529    H    MET 986           H        MET 986   8.467  -9.462  -3.325
  530    HA   MET 986           HA       MET 986  10.057  -7.406  -4.415
  531   1HB   MET 986          HB1       MET 986   8.843  -7.579  -6.443
  532   2HB   MET 986          HB2       MET 986   9.038  -9.195  -5.794
  533   1HG   MET 986          HG1       MET 986   6.760  -9.283  -5.123
  534   2HG   MET 986          HG2       MET 986   6.528  -7.572  -5.484
  535   1HE   MET 986          HE1       MET 986   6.509  -6.561  -7.900
  536   2HE   MET 986          HE2       MET 986   8.087  -7.261  -8.260
  537   3HE   MET 986          HE3       MET 986   6.742  -7.497  -9.377
  538    H    ALA 987           H        ALA 987   6.587  -7.305  -3.534
  539    HA   ALA 987           HA       ALA 987   6.512  -4.526  -4.258
  540   1HB   ALA 987          HB1       ALA 987   4.341  -6.209  -3.040
  541   2HB   ALA 987          HB2       ALA 987   4.156  -4.607  -3.758
  542   3HB   ALA 987          HB3       ALA 987   4.620  -5.979  -4.766
  543    H    GLN 988           H        GLN 988   6.566  -6.389  -1.251
  544    HA   GLN 988           HA       GLN 988   5.823  -4.205   0.391
  545   1HB   GLN 988          HB1       GLN 988   5.604  -6.456   1.244
  546   2HB   GLN 988          HB2       GLN 988   7.329  -6.739   1.069
  547   1HG   GLN 988          HG1       GLN 988   6.819  -6.372   3.381
  548   2HG   GLN 988          HG2       GLN 988   7.759  -5.012   2.771
  549   1HE2  GLN 988          2HE2      GLN 988   6.039  -5.132   5.085
  550   2HE2  GLN 988          1HE2      GLN 988   4.821  -3.928   4.858
  551    H    LYS 989           H        LYS 989   8.950  -5.410  -0.731
  552    HA   LYS 989           HA       LYS 989  10.543  -3.580   0.745
  553   1HB   LYS 989          HB1       LYS 989  11.445  -5.596  -0.395
  554   2HB   LYS 989          HB2       LYS 989  11.119  -4.838  -1.947
  555   1HG   LYS 989          HG1       LYS 989  12.679  -3.025  -1.351
  556   2HG   LYS 989          HG2       LYS 989  13.045  -3.872   0.151
  557   1HD   LYS 989          HD1       LYS 989  13.452  -5.034  -2.602
  558   2HD   LYS 989          HD2       LYS 989  14.713  -4.236  -1.665
  559   1HE   LYS 989          HE1       LYS 989  15.047  -6.517  -1.267
  560   2HE   LYS 989          HE2       LYS 989  14.189  -5.946   0.161
  561   1HZ   LYS 989          HZ1       LYS 989  13.250  -8.018  -0.551
  562   2HZ   LYS 989          HZ2       LYS 989  12.124  -6.792  -0.842
  563   3HZ   LYS 989          HZ3       LYS 989  13.018  -7.432  -2.129
  564    H    LEU 990           H        LEU 990   8.724  -3.439  -2.200
  565    HA   LEU 990           HA       LEU 990   9.778  -0.968  -3.149
  566   1HB   LEU 990          HB1       LEU 990   8.801  -1.877  -4.937
  567   2HB   LEU 990          HB2       LEU 990   7.861  -2.970  -3.953
  568    HG   LEU 990           HG       LEU 990   6.151  -1.158  -3.674
  569   1HD1  LEU 990          1HD1      LEU 990   7.784   0.201  -5.830
  570   2HD1  LEU 990          2HD1      LEU 990   6.217   0.733  -5.218
  571   3HD1  LEU 990          3HD1      LEU 990   7.630   0.759  -4.164
  572   1HD2  LEU 990          1HD2      LEU 990   6.801  -2.035  -6.480
  573   2HD2  LEU 990          2HD2      LEU 990   5.891  -2.949  -5.277
  574   3HD2  LEU 990          3HD2      LEU 990   5.238  -1.439  -5.916
  575    H    LEU 991           H        LEU 991   7.088  -1.946  -1.117
  576    HA   LEU 991           HA       LEU 991   5.862   0.634  -1.053
  577   1HB   LEU 991          HB1       LEU 991   5.464  -1.770   0.720
  578   2HB   LEU 991          HB2       LEU 991   4.450  -0.336   0.720
  579    HG   LEU 991           HG       LEU 991   4.785  -2.342  -1.503
  580   1HD1  LEU 991          1HD1      LEU 991   2.415  -1.481   0.160
  581   2HD1  LEU 991          2HD1      LEU 991   2.361  -2.624  -1.181
  582   3HD1  LEU 991          3HD1      LEU 991   3.272  -3.016   0.277
  583   1HD2  LEU 991          1HD2      LEU 991   3.213  -0.950  -2.771
  584   2HD2  LEU 991          2HD2      LEU 991   3.276   0.275  -1.504
  585   3HD2  LEU 991          3HD2      LEU 991   4.721  -0.097  -2.444
  586    H    ASN 992           H        ASN 992   8.219  -1.049   0.870
  587    HA   ASN 992           HA       ASN 992   8.250   0.632   3.118
  588   1HB   ASN 992          HB1       ASN 992   9.487  -1.569   2.794
  589   2HB   ASN 992          HB2       ASN 992  10.648  -0.689   1.813
  590   1HD2  ASN 992          2HD2      ASN 992  11.008  -2.168   4.289
  591   2HD2  ASN 992          1HD2      ASN 992  11.682  -1.060   5.435
  592    H    SER 993           H        SER 993   9.804   0.790  -0.031
  593    HA   SER 993           HA       SER 993  11.304   3.152   0.571
  594   1HB   SER 993          HB1       SER 993  10.800   1.850  -2.110
  595   2HB   SER 993          HB2       SER 993  12.086   2.989  -1.715
  596    HG   SER 993           HG       SER 993  11.790   0.293  -0.971
  597    H    ASP 994           H        ASP 994   8.148   2.554  -0.937
  598    HA   ASP 994           HA       ASP 994   8.237   5.208  -2.163
  599   1HB   ASP 994          HB1       ASP 994   6.490   4.588  -3.572
  600   2HB   ASP 994          HB2       ASP 994   7.414   3.102  -3.399
  601    H    LEU 995           H        LEU 995   6.284   3.411   0.227
  602    HA   LEU 995           HA       LEU 995   4.639   5.554   0.980
  603   1HB   LEU 995          HB1       LEU 995   4.287   3.270   1.823
  604   2HB   LEU 995          HB2       LEU 995   5.803   3.338   2.695
  605    HG   LEU 995           HG       LEU 995   3.598   3.616   3.996
  606   1HD1  LEU 995          1HD1      LEU 995   5.806   3.996   4.975
  607   2HD1  LEU 995          2HD1      LEU 995   5.787   5.652   4.369
  608   3HD1  LEU 995          3HD1      LEU 995   4.617   5.148   5.587
  609   1HD2  LEU 995          1HD2      LEU 995   2.763   5.905   4.143
  610   2HD2  LEU 995          2HD2      LEU 995   3.867   6.392   2.857
  611   3HD2  LEU 995          3HD2      LEU 995   2.566   5.250   2.519
  612    H    ALA 996           H        ALA 996   7.925   4.690   1.779
  613    HA   ALA 996           HA       ALA 996   8.467   6.695   3.653
  614   1HB   ALA 996          HB1       ALA 996  10.817   6.393   3.129
  615   2HB   ALA 996          HB2       ALA 996  10.000   4.832   3.216
  616   3HB   ALA 996          HB3       ALA 996  10.390   5.537   1.647
  617    H    GLU 997           H        GLU 997   9.058   6.789   0.095
  618    HA   GLU 997           HA       GLU 997   9.877   9.448   0.208
  619   1HB   GLU 997          HB1       GLU 997   9.779   9.567  -2.133
  620   2HB   GLU 997          HB2       GLU 997  10.196   7.901  -1.767
  621   1HG   GLU 997          HG1       GLU 997   8.199   7.093  -2.521
  622   2HG   GLU 997          HG2       GLU 997   7.339   8.595  -2.185
  623    H    LEU 998           H        LEU 998   6.661   8.078   0.056
  624    HA   LEU 998           HA       LEU 998   5.468  10.516  -0.799
  625   1HB   LEU 998          HB1       LEU 998   4.527   7.871  -0.043
  626   2HB   LEU 998          HB2       LEU 998   3.442   9.157   0.463
  627    HG   LEU 998           HG       LEU 998   2.784   8.362  -1.721
  628   1HD1  LEU 998          1HD1      LEU 998   4.129  11.058  -1.830
  629   2HD1  LEU 998          2HD1      LEU 998   2.897  10.483  -2.954
  630   3HD1  LEU 998          3HD1      LEU 998   2.495  10.727  -1.253
  631   1HD2  LEU 998          1HD2      LEU 998   5.583   9.096  -2.582
  632   2HD2  LEU 998          2HD2      LEU 998   4.937   7.461  -2.444
  633   3HD2  LEU 998          3HD2      LEU 998   4.282   8.569  -3.650
  634    H    ILE 999           H        ILE 999   5.903   9.029   2.384
  635    HA   ILE 999           HA       ILE 999   4.455  10.953   3.824
  636    HB   ILE 999           HB       ILE 999   5.296   8.793   4.783
  637   1HG1  ILE 999          1HG1      ILE 999   6.028  11.249   6.391
  638   2HG1  ILE 999          2HG1      ILE 999   4.386  10.656   6.165
  639   1HG2  ILE 999          1HG2      ILE 999   7.541   8.775   5.792
  640   2HG2  ILE 999          2HG2      ILE 999   7.590   8.854   4.030
  641   3HG2  ILE 999          3HG2      ILE 999   7.895  10.304   4.988
  642   1HD1  ILE 999          1HD1      ILE 999   6.624   9.182   7.533
  643   2HD1  ILE 999          2HD1      ILE 999   5.269   9.990   8.320
  644   3HD1  ILE 999          3HD1      ILE 999   4.984   8.577   7.303
  645    H    ASN1000           H        ASN1000   7.565  11.131   2.339
  646    HA   ASN1000           HA       ASN1000   8.115  13.694   3.697
  647   1HB   ASN1000          HB1       ASN1000  10.290  13.115   3.658
  648   2HB   ASN1000          HB2       ASN1000   9.743  11.518   3.173
  649   1HD2  ASN1000          2HD2      ASN1000   9.481  11.205   0.806
  650   2HD2  ASN1000          1HD2      ASN1000  10.707  11.891  -0.212
  651    H    LYS1001           H        LYS1001   6.823  12.495   0.850
  652    HA   LYS1001           HA       LYS1001   7.613  14.740  -0.816
  653   1HB   LYS1001          HB1       LYS1001   5.645  12.485  -1.246
  654   2HB   LYS1001          HB2       LYS1001   5.785  13.833  -2.365
  655   1HG   LYS1001          HG1       LYS1001   8.001  11.921  -1.645
  656   2HG   LYS1001          HG2       LYS1001   7.031  11.870  -3.117
  657   1HD   LYS1001          HD1       LYS1001   7.901  14.002  -3.823
  658   2HD   LYS1001          HD2       LYS1001   8.753  14.206  -2.292
  659   1HE   LYS1001          HE1       LYS1001  10.312  13.501  -4.001
  660   2HE   LYS1001          HE2       LYS1001  10.114  12.220  -2.810
  661   1HZ   LYS1001          HZ1       LYS1001  10.093  11.261  -4.977
  662   2HZ   LYS1001          HZ2       LYS1001   8.516  11.156  -4.363
  663   3HZ   LYS1001          HZ3       LYS1001   8.902  12.338  -5.519
  664    H    MET1002           H        MET1002   4.879  13.645   1.078
  665    HA   MET1002           HA       MET1002   3.208  15.892   0.528
  666   1HB   MET1002          HB1       MET1002   3.214  14.025   2.905
  667   2HB   MET1002          HB2       MET1002   1.881  15.048   2.381
  668   1HG   MET1002          HG1       MET1002   3.039  12.815   0.742
  669   2HG   MET1002          HG2       MET1002   1.646  12.641   1.811
  670   1HE   MET1002          HE1       MET1002  -0.060  11.844   0.078
  671   2HE   MET1002          HE2       MET1002  -0.248  12.541  -1.532
  672   3HE   MET1002          HE3       MET1002   1.255  11.731  -1.092
  673    H    LYS1003           H        LYS1003   5.403  14.848   3.056
  674    HA   LYS1003           HA       LYS1003   5.373  17.115   4.658
  675   1HB   LYS1003          HB1       LYS1003   6.515  15.043   5.305
  676   2HB   LYS1003          HB2       LYS1003   7.697  15.279   4.022
  677   1HG   LYS1003          HG1       LYS1003   8.465  17.322   5.102
  678   2HG   LYS1003          HG2       LYS1003   7.282  17.092   6.389
  679   1HD   LYS1003          HD1       LYS1003   9.383  16.314   7.203
  680   2HD   LYS1003          HD2       LYS1003   8.387  14.894   6.878
  681   1HE   LYS1003          HE1       LYS1003   9.530  14.531   4.778
  682   2HE   LYS1003          HE2       LYS1003  10.467  16.008   5.001
  683   1HZ   LYS1003          HZ1       LYS1003  10.593  13.581   6.711
  684   2HZ   LYS1003          HZ2       LYS1003  11.768  14.089   5.593
  685   3HZ   LYS1003          HZ3       LYS1003  11.464  15.016   6.980
  686    H    LEU1004           H        LEU1004   7.481  16.327   1.889
  687    HA   LEU1004           HA       LEU1004   8.901  18.692   1.741
  688   1HB   LEU1004          HB1       LEU1004   9.390  16.655   0.450
  689   2HB   LEU1004          HB2       LEU1004   7.997  16.983  -0.560
  690    HG   LEU1004           HG       LEU1004   9.068  19.111  -1.273
  691   1HD1  LEU1004          1HD1      LEU1004  10.508  19.443   0.667
  692   2HD1  LEU1004          2HD1      LEU1004  11.460  18.032   0.202
  693   3HD1  LEU1004          3HD1      LEU1004  11.434  19.458  -0.836
  694   1HD2  LEU1004          1HD2      LEU1004  10.740  18.053  -2.734
  695   2HD2  LEU1004          2HD2      LEU1004  10.641  16.585  -1.761
  696   3HD2  LEU1004          3HD2      LEU1004   9.233  17.138  -2.670
  697    H    ALA1005           H        ALA1005   5.792  17.936   0.152
  698    HA   ALA1005           HA       ALA1005   5.665  20.370  -1.253
  699   1HB   ALA1005          HB1       ALA1005   4.284  18.427  -1.837
  700   2HB   ALA1005          HB2       ALA1005   3.381  18.628  -0.336
  701   3HB   ALA1005          HB3       ALA1005   3.299  19.868  -1.587
  702    H    GLN1006           H        GLN1006   4.164  19.366   1.761
  703    HA   GLN1006           HA       GLN1006   3.153  21.885   2.489
  704   1HB   GLN1006          HB1       GLN1006   2.368  20.771   4.328
  705   2HB   GLN1006          HB2       GLN1006   2.771  19.373   3.336
  706   1HG   GLN1006          HG1       GLN1006   3.733  18.722   5.265
  707   2HG   GLN1006          HG2       GLN1006   5.088  19.623   4.589
  708   1HE2  GLN1006          2HE2      GLN1006   5.938  20.022   6.643
  709   2HE2  GLN1006          1HE2      GLN1006   5.219  21.160   7.726
  710    H    GLN1007           H        GLN1007   6.272  20.561   2.466
  711    HA   GLN1007           HA       GLN1007   7.450  22.167   4.514
  712   1HB   GLN1007          HB1       GLN1007   8.252  19.885   3.509
  713   2HB   GLN1007          HB2       GLN1007   9.008  20.911   2.293
  714   1HG   GLN1007          HG1       GLN1007  10.572  20.323   4.038
  715   2HG   GLN1007          HG2       GLN1007  10.264  22.064   4.036
  716   1HE2  GLN1007          2HE2      GLN1007   8.016  19.696   5.269
  717   2HE2  GLN1007          1HE2      GLN1007   8.178  20.125   6.946
  718    H    TYR1008           H        TYR1008   6.985  22.393   1.089
  719    HA   TYR1008           HA       TYR1008   8.751  24.598   0.683
  720   1HB   TYR1008          HB1       TYR1008   8.256  23.101  -1.138
  721   2HB   TYR1008          HB2       TYR1008   6.534  23.406  -0.986
  722    HD1  TYR1008           HD1      TYR1008   5.837  24.365  -2.943
  723    HD2  TYR1008           HD2      TYR1008   9.435  25.755  -1.144
  724    HE1  TYR1008           HE1      TYR1008   5.991  26.147  -4.634
  725    HE2  TYR1008           HE2      TYR1008   9.599  27.540  -2.828
  726    HH   TYR1008           HH       TYR1008   6.989  28.248  -5.000
  727    H    VAL1009           H        VAL1009   5.276  24.515   0.046
  728    HA   VAL1009           HA       VAL1009   3.855  26.306  -0.166
  729    HB   VAL1009           HB       VAL1009   3.207  25.180   1.863
  730   1HG1  VAL1009          1HG1      VAL1009   5.211  25.272   3.170
  731   2HG1  VAL1009          2HG1      VAL1009   5.101  27.028   3.298
  732   3HG1  VAL1009          3HG1      VAL1009   3.896  26.008   4.085
  733   1HG2  VAL1009          1HG2      VAL1009   1.999  26.990   2.983
  734   2HG2  VAL1009          2HG2      VAL1009   3.013  28.173   2.156
  735   3HG2  VAL1009          3HG2      VAL1009   1.929  27.137   1.227
  736    H    MET1010           H        MET1010   5.209  27.718  -1.370
  737    HA   MET1010           HA       MET1010   5.821  30.182   0.118
  738   1HB   MET1010          HB1       MET1010   7.765  28.796  -1.733
  739   2HB   MET1010          HB2       MET1010   7.938  30.467  -1.218
  740   1HG   MET1010          HG1       MET1010   8.119  29.751   1.097
  741   2HG   MET1010          HG2       MET1010   7.894  28.073   0.607
  742   1HE   MET1010          HE1       MET1010  10.097  27.400   1.912
  743   2HE   MET1010          HE2       MET1010  11.659  28.184   1.669
  744   3HE   MET1010          HE3       MET1010  10.326  29.079   2.399
  745    H    THR1011           H        THR1011   7.076  30.009  -3.061
  746    HA   THR1011           HA       THR1011   5.052  31.820  -4.074
  747    HB   THR1011           HB       THR1011   7.364  30.592  -5.593
  748    HG1  THR1011           HG1      THR1011   8.674  32.042  -4.688
  749   1HG2  THR1011          1HG2      THR1011   5.709  31.733  -6.979
  750   2HG2  THR1011          2HG2      THR1011   5.823  33.166  -5.958
  751   3HG2  THR1011          3HG2      THR1011   7.209  32.658  -6.925
  752    H    SER1012           H        SER1012   3.456  31.272  -5.634
  753    HA   SER1012           HA       SER1012   1.680  29.828  -5.914
  754   1HB   SER1012          HB1       SER1012   2.215  27.950  -7.535
  755   2HB   SER1012          HB2       SER1012   2.703  29.550  -8.079
  756    HG   SER1012           HG       SER1012   4.662  28.293  -6.660
  757    H    LEU1013           H        LEU1013   1.795  29.486  -3.563
  758    HA   LEU1013           HA       LEU1013   3.948  28.370  -2.389
  759   1HB   LEU1013          HB1       LEU1013   2.460  28.068  -0.355
  760   2HB   LEU1013          HB2       LEU1013   2.593  29.670  -1.048
  761    HG   LEU1013           HG       LEU1013   0.367  28.651  -2.314
  762   1HD1  LEU1013          1HD1      LEU1013   0.368  26.705  -0.817
  763   2HD1  LEU1013          2HD1      LEU1013   0.278  27.787   0.572
  764   3HD1  LEU1013          3HD1      LEU1013  -1.053  27.724  -0.582
  765   1HD2  LEU1013          1HD2      LEU1013  -0.870  30.187  -0.878
  766   2HD2  LEU1013          2HD2      LEU1013   0.509  30.282   0.217
  767   3HD2  LEU1013          3HD2      LEU1013   0.644  30.904  -1.429
  768    H    GLN1014           H        GLN1014   0.875  26.539  -2.685
  769    HA   GLN1014           HA       GLN1014   2.386  24.224  -1.845
  770   1HB   GLN1014          HB1       GLN1014  -0.391  24.982  -1.790
  771   2HB   GLN1014          HB2       GLN1014  -0.199  23.378  -2.490
  772   1HG   GLN1014          HG1       GLN1014   0.785  24.306   0.198
  773   2HG   GLN1014          HG2       GLN1014  -0.527  23.175  -0.124
  774   1HE2  GLN1014          2HE2      GLN1014   1.087  21.979  -2.352
  775   2HE2  GLN1014          1HE2      GLN1014   2.252  20.990  -1.551
  776    H    GLN1015           H        GLN1015   0.939  25.429  -4.785
  777    HA   GLN1015           HA       GLN1015   0.138  22.933  -5.766
  778   1HB   GLN1015          HB1       GLN1015   0.540  25.532  -7.209
  779   2HB   GLN1015          HB2       GLN1015  -0.226  24.111  -7.909
  780   1HG   GLN1015          HG1       GLN1015  -1.882  24.180  -6.048
  781   2HG   GLN1015          HG2       GLN1015  -1.176  25.719  -5.554
  782   1HE2  GLN1015          2HE2      GLN1015  -1.473  27.530  -6.839
  783   2HE2  GLN1015          1HE2      GLN1015  -2.676  27.594  -8.086
  784    H    GLU1016           H        GLU1016   2.945  24.877  -6.825
  785    HA   GLU1016           HA       GLU1016   3.911  23.200  -8.763
  786   1HB   GLU1016          HB1       GLU1016   4.976  25.336  -8.230
  787   2HB   GLU1016          HB2       GLU1016   5.598  24.664  -6.728
  788   1HG   GLU1016          HG1       GLU1016   7.282  24.763  -8.533
  789   2HG   GLU1016          HG2       GLU1016   7.003  23.136  -7.921
  790    H    TYR1017           H        TYR1017   4.728  22.944  -5.298
  791    HA   TYR1017           HA       TYR1017   6.105  20.471  -5.663
  792   1HB   TYR1017          HB1       TYR1017   5.324  22.136  -3.334
  793   2HB   TYR1017          HB2       TYR1017   5.598  20.424  -3.049
  794    HD1  TYR1017           HD1      TYR1017   7.434  22.277  -5.626
  795    HD2  TYR1017           HD2      TYR1017   7.552  20.774  -1.631
  796    HE1  TYR1017           HE1      TYR1017   9.858  22.668  -5.553
  797    HE2  TYR1017           HE2      TYR1017   9.980  21.157  -1.569
  798    HH   TYR1017           HH       TYR1017  11.868  21.326  -3.269
  799    H    LYS1018           H        LYS1018   2.804  21.377  -5.152
  800    HA   LYS1018           HA       LYS1018   1.844  18.886  -4.196
  801   1HB   LYS1018          HB1       LYS1018   0.539  20.976  -4.022
  802   2HB   LYS1018          HB2       LYS1018   0.375  21.009  -5.773
  803   1HG   LYS1018          HG1       LYS1018  -0.574  18.528  -5.189
  804   2HG   LYS1018          HG2       LYS1018  -1.082  19.450  -3.773
  805   1HD   LYS1018          HD1       LYS1018  -2.201  21.069  -5.178
  806   2HD   LYS1018          HD2       LYS1018  -1.603  20.260  -6.630
  807   1HE   LYS1018          HE1       LYS1018  -2.826  18.206  -5.870
  808   2HE   LYS1018          HE2       LYS1018  -3.557  19.188  -4.603
  809   1HZ   LYS1018          HZ1       LYS1018  -4.993  18.981  -6.539
  810   2HZ   LYS1018          HZ2       LYS1018  -4.539  20.597  -6.292
  811   3HZ   LYS1018          HZ3       LYS1018  -3.806  19.688  -7.521
  812    H    LYS1019           H        LYS1019   2.490  20.164  -7.408
  813    HA   LYS1019           HA       LYS1019   1.257  18.140  -8.933
  814   1HB   LYS1019          HB1       LYS1019   3.864  19.540  -9.576
  815   2HB   LYS1019          HB2       LYS1019   2.777  18.769 -10.720
  816   1HG   LYS1019          HG1       LYS1019   1.149  20.466 -10.452
  817   2HG   LYS1019          HG2       LYS1019   1.990  21.144  -9.055
  818   1HD   LYS1019          HD1       LYS1019   3.924  21.638 -10.559
  819   2HD   LYS1019          HD2       LYS1019   2.928  21.125 -11.919
  820   1HE   LYS1019          HE1       LYS1019   1.332  22.879 -11.459
  821   2HE   LYS1019          HE2       LYS1019   2.232  23.357 -10.020
  822   1HZ   LYS1019          HZ1       LYS1019   3.297  23.454 -12.792
  823   2HZ   LYS1019          HZ2       LYS1019   2.675  24.788 -11.953
  824   3HZ   LYS1019          HZ3       LYS1019   4.080  24.014 -11.394
  825    H    GLN1020           H        GLN1020   4.668  18.505  -8.123
  826    HA   GLN1020           HA       GLN1020   5.624  15.981  -8.521
  827   1HB   GLN1020          HB1       GLN1020   6.336  17.693  -6.132
  828   2HB   GLN1020          HB2       GLN1020   7.363  16.507  -6.932
  829   1HG   GLN1020          HG1       GLN1020   7.507  17.863  -8.900
  830   2HG   GLN1020          HG2       GLN1020   6.315  18.993  -8.263
  831   1HE2  GLN1020          2HE2      GLN1020   7.655  20.757  -8.402
  832   2HE2  GLN1020          1HE2      GLN1020   9.028  20.980  -7.371
  833    H    MET1021           H        MET1021   4.025  17.163  -5.597
  834    HA   MET1021           HA       MET1021   4.081  14.885  -4.011
  835   1HB   MET1021          HB1       MET1021   3.370  16.803  -2.937
  836   2HB   MET1021          HB2       MET1021   2.306  17.275  -4.249
  837   1HG   MET1021          HG1       MET1021   0.806  15.374  -3.567
  838   2HG   MET1021          HG2       MET1021   1.819  15.202  -2.131
  839   1HE   MET1021          HE1       MET1021  -1.393  15.806  -2.258
  840   2HE   MET1021          HE2       MET1021  -0.527  15.519  -0.748
  841   3HE   MET1021          HE3       MET1021  -1.549  16.946  -0.921
  842    H    LEU1022           H        LEU1022   1.502  15.907  -6.250
  843    HA   LEU1022           HA       LEU1022  -0.199  13.717  -5.742
  844   1HB   LEU1022          HB1       LEU1022  -0.615  16.031  -6.901
  845   2HB   LEU1022          HB2       LEU1022  -0.183  15.171  -8.365
  846    HG   LEU1022           HG       LEU1022  -2.428  14.306  -6.537
  847   1HD1  LEU1022          1HD1      LEU1022  -2.898  16.525  -7.409
  848   2HD1  LEU1022          2HD1      LEU1022  -2.545  15.971  -9.046
  849   3HD1  LEU1022          3HD1      LEU1022  -3.933  15.319  -8.176
  850   1HD2  LEU1022          1HD2      LEU1022  -1.521  12.551  -7.996
  851   2HD2  LEU1022          2HD2      LEU1022  -3.161  13.005  -8.461
  852   3HD2  LEU1022          3HD2      LEU1022  -1.785  13.588  -9.398
  853    H    THR1023           H        THR1023   2.174  14.311  -8.306
  854    HA   THR1023           HA       THR1023   1.690  11.993  -9.811
  855    HB   THR1023           HB       THR1023   4.359  13.387  -9.517
  856    HG1  THR1023           HG1      THR1023   2.907  14.993 -10.024
  857   1HG2  THR1023          1HG2      THR1023   4.415  11.295 -10.794
  858   2HG2  THR1023          2HG2      THR1023   3.117  11.887 -11.829
  859   3HG2  THR1023          3HG2      THR1023   4.688  12.686 -11.842
  860    H    ALA1024           H        ALA1024   3.543  12.562  -6.927
  861    HA   ALA1024           HA       ALA1024   4.956  10.041  -7.008
  862   1HB   ALA1024          HB1       ALA1024   5.793  10.664  -4.807
  863   2HB   ALA1024          HB2       ALA1024   5.964  12.007  -5.938
  864   3HB   ALA1024          HB3       ALA1024   4.665  12.019  -4.745
  865    H    ALA1025           H        ALA1025   2.248  11.462  -5.238
  866    HA   ALA1025           HA       ALA1025   1.644   9.303  -3.563
  867   1HB   ALA1025          HB1       ALA1025  -0.270  11.304  -4.767
  868   2HB   ALA1025          HB2       ALA1025  -0.579  10.287  -3.361
  869   3HB   ALA1025          HB3       ALA1025   0.666  11.535  -3.290
  870    H    HIS1026           H        HIS1026   0.889   9.896  -6.921
  871    HA   HIS1026           HA       HIS1026  -1.022   7.817  -7.151
  872   1HB   HIS1026          HB1       HIS1026  -0.915   9.657  -8.784
  873   2HB   HIS1026          HB2       HIS1026   0.685   9.125  -9.285
  874    HD1  HIS1026           HD1      HIS1026   0.745   7.600 -11.243
  875    HD2  HIS1026           HD2      HIS1026  -2.973   7.599  -9.385
  876    HE1  HIS1026           HE1      HIS1026  -0.746   6.214 -12.716
  877    HE2  HIS1026           HE2      HIS1026  -3.028   6.385 -11.668
  878    H    ALA1027           H        ALA1027   2.465   7.983  -7.653
  879    HA   ALA1027           HA       ALA1027   2.846   5.362  -8.575
  880   1HB   ALA1027          HB1       ALA1027   5.141   5.581  -7.745
  881   2HB   ALA1027          HB2       ALA1027   4.632   7.036  -8.601
  882   3HB   ALA1027          HB3       ALA1027   4.678   7.021  -6.837
  883    H    LEU1028           H        LEU1028   2.644   6.694  -5.317
  884    HA   LEU1028           HA       LEU1028   3.194   4.329  -3.877
  885   1HB   LEU1028          HB1       LEU1028   3.256   6.481  -2.761
  886   2HB   LEU1028          HB2       LEU1028   1.568   6.761  -3.140
  887    HG   LEU1028           HG       LEU1028   1.944   4.307  -1.613
  888   1HD1  LEU1028          1HD1      LEU1028   2.468   5.392   0.503
  889   2HD1  LEU1028          2HD1      LEU1028   3.799   5.540  -0.645
  890   3HD1  LEU1028          3HD1      LEU1028   2.737   6.915  -0.343
  891   1HD2  LEU1028          1HD2      LEU1028   0.324   6.812  -1.174
  892   2HD2  LEU1028          2HD2      LEU1028  -0.222   5.342  -1.982
  893   3HD2  LEU1028          3HD2      LEU1028   0.161   5.311  -0.261
  894    H    ALA1029           H        ALA1029   0.121   5.892  -4.654
  895    HA   ALA1029           HA       ALA1029  -1.574   4.019  -3.527
  896   1HB   ALA1029          HB1       ALA1029  -2.295   6.229  -4.293
  897   2HB   ALA1029          HB2       ALA1029  -2.118   5.706  -5.968
  898   3HB   ALA1029          HB3       ALA1029  -3.330   4.952  -4.930
  899    H    VAL1030           H        VAL1030  -0.118   4.021  -6.745
  900    HA   VAL1030           HA       VAL1030  -1.596   1.737  -7.632
  901    HB   VAL1030           HB       VAL1030   0.889   3.054  -8.748
  902   1HG1  VAL1030          1HG1      VAL1030   0.481   1.741 -10.783
  903   2HG1  VAL1030          2HG1      VAL1030   0.863   0.711  -9.404
  904   3HG1  VAL1030          3HG1      VAL1030  -0.805   0.866  -9.954
  905   1HG2  VAL1030          1HG2      VAL1030  -0.645   3.878 -10.477
  906   2HG2  VAL1030          2HG2      VAL1030  -1.993   3.109  -9.638
  907   3HG2  VAL1030          3HG2      VAL1030  -1.114   4.430  -8.869
  908    H    ASP1031           H        ASP1031   1.669   2.267  -6.390
  909    HA   ASP1031           HA       ASP1031   2.413  -0.435  -6.527
  910   1HB   ASP1031          HB1       ASP1031   3.510   1.887  -4.992
  911   2HB   ASP1031          HB2       ASP1031   4.182   0.266  -4.799
  912    H    ALA1032           H        ALA1032   0.728   1.319  -3.917
  913    HA   ALA1032           HA       ALA1032   0.442  -0.728  -2.046
  914   1HB   ALA1032          HB1       ALA1032  -1.712   1.087  -3.141
  915   2HB   ALA1032          HB2       ALA1032  -1.787   0.188  -1.626
  916   3HB   ALA1032          HB3       ALA1032  -0.602   1.479  -1.827
  917    H    LYS1033           H        LYS1033  -1.404  -0.165  -4.996
  918    HA   LYS1033           HA       LYS1033  -2.937  -2.518  -4.890
  919   1HB   LYS1033          HB1       LYS1033  -2.232  -0.763  -7.240
  920   2HB   LYS1033          HB2       LYS1033  -3.388  -2.086  -7.320
  921   1HG   LYS1033          HG1       LYS1033  -4.676  -0.959  -5.498
  922   2HG   LYS1033          HG2       LYS1033  -3.587   0.418  -5.667
  923   1HD   LYS1033          HD1       LYS1033  -5.237  -0.715  -7.920
  924   2HD   LYS1033          HD2       LYS1033  -5.747   0.635  -6.907
  925   1HE   LYS1033          HE1       LYS1033  -3.750   1.887  -7.617
  926   2HE   LYS1033          HE2       LYS1033  -3.295   0.542  -8.664
  927   1HZ   LYS1033          HZ1       LYS1033  -4.444   2.305  -9.875
  928   2HZ   LYS1033          HZ2       LYS1033  -5.318   0.854  -9.921
  929   3HZ   LYS1033          HZ3       LYS1033  -5.814   2.110  -8.891
  930    H    ASN1034           H        ASN1034   0.399  -2.148  -5.753
  931    HA   ASN1034           HA       ASN1034   0.452  -4.409  -7.534
  932   1HB   ASN1034          HB1       ASN1034   2.182  -2.617  -7.623
  933   2HB   ASN1034          HB2       ASN1034   2.771  -3.150  -6.050
  934   1HD2  ASN1034          2HD2      ASN1034   4.785  -3.688  -6.845
  935   2HD2  ASN1034          1HD2      ASN1034   5.061  -5.056  -7.855
  936    H    LEU1035           H        LEU1035   0.922  -3.848  -4.116
  937    HA   LEU1035           HA       LEU1035   1.916  -6.510  -3.584
  938   1HB   LEU1035          HB1       LEU1035   2.510  -4.545  -2.172
  939   2HB   LEU1035          HB2       LEU1035   0.832  -4.431  -1.669
  940    HG   LEU1035           HG       LEU1035   1.070  -6.752  -0.711
  941   1HD1  LEU1035          1HD1      LEU1035   3.030  -7.458  -1.969
  942   2HD1  LEU1035          2HD1      LEU1035   3.995  -6.205  -1.188
  943   3HD1  LEU1035          3HD1      LEU1035   3.332  -7.531  -0.233
  944   1HD2  LEU1035          1HD2      LEU1035   2.188  -5.975   1.289
  945   2HD2  LEU1035          2HD2      LEU1035   2.865  -4.611   0.398
  946   3HD2  LEU1035          3HD2      LEU1035   1.123  -4.726   0.646
  947    H    LEU1036           H        LEU1036  -1.083  -4.961  -3.936
  948    HA   LEU1036           HA       LEU1036  -2.885  -6.606  -2.616
  949   1HB   LEU1036          HB1       LEU1036  -3.445  -4.474  -3.730
  950   2HB   LEU1036          HB2       LEU1036  -3.140  -5.207  -5.290
  951    HG   LEU1036           HG       LEU1036  -5.032  -6.795  -4.808
  952   1HD1  LEU1036          1HD1      LEU1036  -5.478  -4.874  -2.536
  953   2HD1  LEU1036          2HD1      LEU1036  -6.626  -6.096  -3.084
  954   3HD1  LEU1036          3HD1      LEU1036  -5.075  -6.587  -2.404
  955   1HD2  LEU1036          1HD2      LEU1036  -5.290  -4.850  -6.268
  956   2HD2  LEU1036          2HD2      LEU1036  -6.761  -5.160  -5.347
  957   3HD2  LEU1036          3HD2      LEU1036  -5.681  -3.849  -4.869
  958    H    ASP1037           H        ASP1037  -1.613  -6.727  -5.851
  959    HA   ASP1037           HA       ASP1037  -2.779  -9.257  -6.528
  960   1HB   ASP1037          HB1       ASP1037  -0.711  -7.510  -7.843
  961   2HB   ASP1037          HB2       ASP1037  -1.027  -9.134  -8.442
  962    H    VAL1038           H        VAL1038   0.220  -8.149  -5.208
  963    HA   VAL1038           HA       VAL1038   1.785 -10.466  -5.366
  964    HB   VAL1038           HB       VAL1038   1.744  -8.141  -3.459
  965   1HG1  VAL1038          1HG1      VAL1038   3.833  -8.942  -2.484
  966   2HG1  VAL1038          2HG1      VAL1038   2.513 -10.070  -2.171
  967   3HG1  VAL1038          3HG1      VAL1038   3.703 -10.432  -3.421
  968   1HG2  VAL1038          1HG2      VAL1038   2.535  -7.728  -5.713
  969   2HG2  VAL1038          2HG2      VAL1038   3.872  -7.624  -4.568
  970   3HG2  VAL1038          3HG2      VAL1038   3.682  -9.059  -5.576
  971    H    ILE1039           H        ILE1039   0.010  -9.330  -2.514
  972    HA   ILE1039           HA       ILE1039   0.295 -11.817  -1.169
  973    HB   ILE1039           HB       ILE1039  -1.655  -9.802  -0.168
  974   1HG1  ILE1039          1HG1      ILE1039   1.349  -9.452  -0.038
  975   2HG1  ILE1039          2HG1      ILE1039   0.246  -8.427  -0.956
  976   1HG2  ILE1039          1HG2      ILE1039  -0.737 -10.485   1.956
  977   2HG2  ILE1039          2HG2      ILE1039  -1.116 -11.920   1.001
  978   3HG2  ILE1039          3HG2      ILE1039   0.552 -11.372   1.142
  979   1HD1  ILE1039          1HD1      ILE1039   0.844  -7.364   1.121
  980   2HD1  ILE1039          2HD1      ILE1039  -0.871  -7.793   1.125
  981   3HD1  ILE1039          3HD1      ILE1039   0.288  -8.771   2.031
  982    H    ASP1040           H        ASP1040  -2.319 -10.264  -3.024
  983    HA   ASP1040           HA       ASP1040  -4.210 -12.275  -2.538
  984   1HB   ASP1040          HB1       ASP1040  -4.901 -10.408  -3.898
  985   2HB   ASP1040          HB2       ASP1040  -3.685 -10.784  -5.119
  986    H    GLN1041           H        GLN1041  -1.437 -12.192  -4.740
  987    HA   GLN1041           HA       GLN1041  -1.820 -14.885  -5.565
  988   1HB   GLN1041          HB1       GLN1041   0.588 -13.095  -5.628
  989   2HB   GLN1041          HB2       GLN1041   0.681 -14.796  -6.075
  990   1HG   GLN1041          HG1       GLN1041  -1.077 -12.714  -7.364
  991   2HG   GLN1041          HG2       GLN1041   0.402 -13.399  -8.040
  992   1HE2  GLN1041          2HE2      GLN1041   0.375 -15.462  -8.891
  993   2HE2  GLN1041          1HE2      GLN1041  -1.100 -16.321  -9.197
  994    H    ALA1042           H        ALA1042  -0.118 -13.367  -2.851
  995    HA   ALA1042           HA       ALA1042   1.044 -15.583  -1.737
  996   1HB   ALA1042          HB1       ALA1042  -0.413 -13.428  -0.237
  997   2HB   ALA1042          HB2       ALA1042   0.765 -14.549   0.445
  998   3HB   ALA1042          HB3       ALA1042   1.268 -13.366  -0.764
  999    H    ARG1043           H        ARG1043  -2.267 -14.443  -1.312
 1000    HA   ARG1043           HA       ARG1043  -3.469 -16.448   0.064
 1001   1HB   ARG1043          HB1       ARG1043  -5.001 -14.870  -0.495
 1002   2HB   ARG1043          HB2       ARG1043  -4.292 -14.590  -2.072
 1003   1HG   ARG1043          HG1       ARG1043  -5.761 -17.130  -1.726
 1004   2HG   ARG1043          HG2       ARG1043  -6.717 -15.647  -1.704
 1005   1HD   ARG1043          HD1       ARG1043  -5.621 -15.001  -3.853
 1006   2HD   ARG1043          HD2       ARG1043  -4.860 -16.588  -3.884
 1007    HE   ARG1043           HE       ARG1043  -7.516 -17.148  -3.646
 1008   1HH1  ARG1043          2HH1      ARG1043  -5.661 -15.136  -5.817
 1009   2HH1  ARG1043          1HH1      ARG1043  -6.699 -15.413  -7.183
 1010   1HH2  ARG1043          2HH2      ARG1043  -8.916 -17.510  -5.442
 1011   2HH2  ARG1043          1HH2      ARG1043  -8.529 -16.781  -6.974
 1012    H    LEU1044           H        LEU1044  -2.838 -16.557  -3.447
 1013    HA   LEU1044           HA       LEU1044  -3.674 -19.311  -3.608
 1014   1HB   LEU1044          HB1       LEU1044  -3.320 -17.232  -5.396
 1015   2HB   LEU1044          HB2       LEU1044  -2.095 -18.393  -5.848
 1016    HG   LEU1044           HG       LEU1044  -5.055 -18.955  -5.630
 1017   1HD1  LEU1044          1HD1      LEU1044  -4.971 -19.119  -8.074
 1018   2HD1  LEU1044          2HD1      LEU1044  -4.552 -17.502  -7.505
 1019   3HD1  LEU1044          3HD1      LEU1044  -3.284 -18.604  -8.043
 1020   1HD2  LEU1044          1HD2      LEU1044  -3.722 -20.928  -5.136
 1021   2HD2  LEU1044          2HD2      LEU1044  -4.498 -21.083  -6.712
 1022   3HD2  LEU1044          3HD2      LEU1044  -2.785 -20.682  -6.610
 1023    H    LYS1045           H        LYS1045  -0.704 -17.652  -2.997
 1024    HA   LYS1045           HA       LYS1045   1.118 -19.712  -3.643
 1025   1HB   LYS1045          HB1       LYS1045   1.240 -17.519  -1.564
 1026   2HB   LYS1045          HB2       LYS1045   2.579 -18.604  -1.891
 1027   1HG   LYS1045          HG1       LYS1045   1.348 -16.638  -3.795
 1028   2HG   LYS1045          HG2       LYS1045   2.920 -16.522  -3.001
 1029   1HD   LYS1045          HD1       LYS1045   3.789 -18.339  -4.258
 1030   2HD   LYS1045          HD2       LYS1045   2.189 -18.787  -4.849
 1031   1HE   LYS1045          HE1       LYS1045   3.463 -16.138  -5.466
 1032   2HE   LYS1045          HE2       LYS1045   3.715 -17.563  -6.471
 1033   1HZ   LYS1045          HZ1       LYS1045   1.379 -17.672  -6.928
 1034   2HZ   LYS1045          HZ2       LYS1045   1.053 -16.408  -5.847
 1035   3HZ   LYS1045          HZ3       LYS1045   1.917 -16.097  -7.272
 1036    H    MET1046           H        MET1046  -0.746 -18.900  -0.796
 1037    HA   MET1046           HA       MET1046   0.250 -20.903   0.903
 1038   1HB   MET1046          HB1       MET1046  -1.172 -18.987   1.607
 1039   2HB   MET1046          HB2       MET1046  -2.544 -19.760   0.828
 1040   1HG   MET1046          HG1       MET1046  -0.980 -21.195   2.907
 1041   2HG   MET1046          HG2       MET1046  -2.207 -20.013   3.377
 1042   1HE   MET1046          HE1       MET1046  -2.260 -23.074   4.284
 1043   2HE   MET1046          HE2       MET1046  -3.494 -21.907   4.753
 1044   3HE   MET1046          HE3       MET1046  -3.969 -23.460   4.067
 1045    H    ILE1047           H        ILE1047  -2.484 -20.889  -1.338
 1046    HA   ILE1047           HA       ILE1047  -3.199 -23.597  -1.030
 1047    HB   ILE1047           HB       ILE1047  -3.540 -21.779  -3.421
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.683 -20.949  -1.450
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.868 -21.592  -2.583
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.271 -23.357  -4.158
 1051   2HG2  ILE1047          2HG2      ILE1047  -3.674 -24.106  -4.116
 1052   3HG2  ILE1047          3HG2      ILE1047  -4.837 -24.437  -2.833
 1053   1HD1  ILE1047          1HD1      ILE1047  -4.842 -22.965  -0.107
 1054   2HD1  ILE1047          2HD1      ILE1047  -6.428 -22.223  -0.321
 1055   3HD1  ILE1047          3HD1      ILE1047  -5.991 -23.652  -1.256
 1056    H    SER1048           H        SER1048  -1.097 -21.970  -3.385
 1057    HA   SER1048           HA       SER1048  -0.332 -24.084  -4.962
 1058   1HB   SER1048          HB1       SER1048   0.300 -21.667  -5.240
 1059   2HB   SER1048          HB2       SER1048   1.541 -21.905  -4.007
 1060    HG   SER1048           HG       SER1048   2.331 -23.642  -5.426
 1061    H    GLN1049           H        GLN1049   0.863 -23.303  -1.737
 1062    HA   GLN1049           HA       GLN1049   2.963 -25.267  -1.831
 1063   1HB   GLN1049          HB1       GLN1049   2.959 -23.121  -0.459
 1064   2HB   GLN1049          HB2       GLN1049   1.831 -23.919   0.623
 1065   1HG   GLN1049          HG1       GLN1049   4.446 -25.210   0.001
 1066   2HG   GLN1049          HG2       GLN1049   4.378 -23.878   1.149
 1067   1HE2  GLN1049          2HE2      GLN1049   3.675 -27.196   0.569
 1068   2HE2  GLN1049          1HE2      GLN1049   3.121 -27.578   2.163
 1069    H    SER1050           H        SER1050  -0.179 -24.998  -0.181
 1070    HA   SER1050           HA       SER1050  -0.041 -27.498   1.118
 1071   1HB   SER1050          HB1       SER1050  -2.509 -25.934   0.327
 1072   2HB   SER1050          HB2       SER1050  -2.413 -27.176   1.577
 1073    HG   SER1050           HG       SER1050  -1.468 -24.538   1.586
 1074    H    ARG1051           H        ARG1051  -1.613 -26.489  -1.889
 1075    HA   ARG1051           HA       ARG1051  -1.213 -28.943  -3.218
 1076   1HB   ARG1051          HB1       ARG1051  -3.100 -29.477  -1.519
 1077   2HB   ARG1051          HB2       ARG1051  -4.113 -28.458  -2.525
 1078   1HG   ARG1051          HG1       ARG1051  -2.673 -30.920  -3.495
 1079   2HG   ARG1051          HG2       ARG1051  -4.354 -30.882  -2.970
 1080   1HD   ARG1051          HD1       ARG1051  -3.119 -29.520  -5.353
 1081   2HD   ARG1051          HD2       ARG1051  -4.359 -30.773  -5.342
 1082    HE   ARG1051           HE       ARG1051  -4.810 -28.028  -4.347
 1083   1HH1  ARG1051          2HH1      ARG1051  -5.851 -30.849  -6.143
 1084   2HH1  ARG1051          1HH1      ARG1051  -7.412 -30.195  -6.512
 1085   1HH2  ARG1051          2HH2      ARG1051  -6.852 -27.154  -4.845
 1086   2HH2  ARG1051          1HH2      ARG1051  -7.997 -28.082  -5.768
 1087    HA   PRO1052           HA       PRO1052  -1.852 -25.275  -5.826
 1088   1HB   PRO1052          HB1       PRO1052  -0.414 -26.228  -7.945
 1089   2HB   PRO1052          HB2       PRO1052   0.312 -25.417  -6.554
 1090   1HG   PRO1052          HG1       PRO1052   0.107 -28.336  -7.159
 1091   2HG   PRO1052          HG2       PRO1052   1.460 -27.428  -6.458
 1092   1HD   PRO1052          HD1       PRO1052  -0.236 -28.930  -4.962
 1093   2HD   PRO1052          HD2       PRO1052   0.548 -27.462  -4.343
 1094    H    HIS1053           H        HIS1053  -1.573 -28.222  -7.785
 1095    HA   HIS1053           HA       HIS1053  -4.413 -28.118  -8.427
 1096   1HB   HIS1053          HB1       HIS1053  -2.229 -27.966 -10.527
 1097   2HB   HIS1053          HB2       HIS1053  -3.920 -28.299 -10.877
 1098    HD1  HIS1053           HD1      HIS1053  -1.598 -25.610 -10.874
 1099    HD2  HIS1053           HD2      HIS1053  -5.611 -26.000  -9.839
 1100    HE1  HIS1053           HE1      HIS1053  -2.539 -23.274 -10.905
 1101    HE2  HIS1053           HE2      HIS1053  -4.957 -23.522 -10.223
  Start of MODEL    3
    1   1H    ARG 920           H        ARG 920  -7.497 -19.412  -3.531
    2    HA   ARG 920           HA       ARG 920  -8.764 -19.002  -0.934
    3   1HB   ARG 920          HB1       ARG 920  -6.277 -19.129  -1.064
    4   2HB   ARG 920          HB2       ARG 920  -6.298 -17.664  -2.040
    5   1HG   ARG 920          HG1       ARG 920  -5.895 -16.817   0.042
    6   2HG   ARG 920          HG2       ARG 920  -7.653 -16.684  -0.057
    7   1HD   ARG 920          HD1       ARG 920  -6.028 -18.778   1.388
    8   2HD   ARG 920          HD2       ARG 920  -7.090 -17.567   2.099
    9    HE   ARG 920           HE       ARG 920  -8.444 -19.382   0.325
   10   1HH1  ARG 920          2HH1      ARG 920  -7.371 -18.830   3.606
   11   2HH1  ARG 920          1HH1      ARG 920  -8.442 -20.006   4.304
   12   1HH2  ARG 920          2HH2      ARG 920  -9.869 -20.936   1.231
   13   2HH2  ARG 920          1HH2      ARG 920  -9.856 -21.216   2.946
   14    H    SER 921           H        SER 921 -10.200 -17.467  -0.659
   15    HA   SER 921           HA       SER 921 -10.820 -15.639  -2.788
   16   1HB   SER 921          HB1       SER 921 -12.047 -15.893  -0.042
   17   2HB   SER 921          HB2       SER 921 -12.759 -15.101  -1.449
   18    HG   SER 921           HG       SER 921 -12.626 -17.215  -2.493
   19    H    ASN 922           H        ASN 922  -8.317 -15.072  -1.913
   20    HA   ASN 922           HA       ASN 922  -6.916 -13.426  -1.187
   21   1HB   ASN 922          HB1       ASN 922  -8.704 -11.197  -1.522
   22   2HB   ASN 922          HB2       ASN 922  -7.278 -11.635  -2.453
   23   1HD2  ASN 922          2HD2      ASN 922  -7.515 -13.235  -4.086
   24   2HD2  ASN 922          1HD2      ASN 922  -9.008 -13.354  -4.966
   25    H    ASP 923           H        ASP 923  -7.117 -14.215   0.895
   26    HA   ASP 923           HA       ASP 923  -8.730 -13.602   2.976
   27   1HB   ASP 923          HB1       ASP 923  -6.466 -14.979   2.638
   28   2HB   ASP 923          HB2       ASP 923  -5.801 -13.584   3.470
   29    H    LYS 924           H        LYS 924  -7.705 -12.401   4.992
   30    HA   LYS 924           HA       LYS 924  -8.110  -9.707   4.895
   31   1HB   LYS 924          HB1       LYS 924  -7.578 -11.296   6.888
   32   2HB   LYS 924          HB2       LYS 924  -5.913 -10.806   6.627
   33   1HG   LYS 924          HG1       LYS 924  -8.058  -8.756   7.004
   34   2HG   LYS 924          HG2       LYS 924  -7.338  -9.574   8.389
   35   1HD   LYS 924          HD1       LYS 924  -5.121  -8.806   7.688
   36   2HD   LYS 924          HD2       LYS 924  -5.841  -7.992   6.298
   37   1HE   LYS 924          HE1       LYS 924  -5.382  -6.434   8.131
   38   2HE   LYS 924          HE2       LYS 924  -7.106  -6.538   7.774
   39   1HZ   LYS 924          HZ1       LYS 924  -5.843  -8.139   9.927
   40   2HZ   LYS 924          HZ2       LYS 924  -6.436  -6.575  10.203
   41   3HZ   LYS 924          HZ3       LYS 924  -7.488  -7.805   9.696
   42    H    VAL 925           H        VAL 925  -5.359 -11.427   3.742
   43    HA   VAL 925           HA       VAL 925  -3.456  -9.456   3.481
   44    HB   VAL 925           HB       VAL 925  -2.632 -10.761   1.490
   45   1HG1  VAL 925          1HG1      VAL 925  -1.854 -11.225   3.749
   46   2HG1  VAL 925          2HG1      VAL 925  -3.227 -12.299   4.019
   47   3HG1  VAL 925          3HG1      VAL 925  -1.999 -12.721   2.826
   48   1HG2  VAL 925          1HG2      VAL 925  -3.667 -12.927   1.030
   49   2HG2  VAL 925          2HG2      VAL 925  -4.964 -12.556   2.166
   50   3HG2  VAL 925          3HG2      VAL 925  -4.782 -11.603   0.693
   51    H    TYR 926           H        TYR 926  -6.121 -10.259   1.104
   52    HA   TYR 926           HA       TYR 926  -5.049  -8.189  -0.641
   53   1HB   TYR 926          HB1       TYR 926  -6.049  -9.941  -1.821
   54   2HB   TYR 926          HB2       TYR 926  -7.389 -10.076  -0.696
   55    HD1  TYR 926           HD1      TYR 926  -6.147  -8.477  -3.710
   56    HD2  TYR 926           HD2      TYR 926  -9.298  -8.502  -0.845
   57    HE1  TYR 926           HE1      TYR 926  -7.578  -7.235  -5.274
   58    HE2  TYR 926           HE2      TYR 926 -10.734  -7.255  -2.403
   59    HH   TYR 926           HH       TYR 926 -10.556  -5.811  -4.336
   60    H    GLU 927           H        GLU 927  -7.510  -8.620   1.727
   61    HA   GLU 927           HA       GLU 927  -9.216  -6.477   1.160
   62   1HB   GLU 927          HB1       GLU 927  -9.295  -8.570   2.828
   63   2HB   GLU 927          HB2       GLU 927  -8.799  -7.334   3.974
   64   1HG   GLU 927          HG1       GLU 927 -10.749  -5.978   3.247
   65   2HG   GLU 927          HG2       GLU 927 -11.276  -7.357   2.284
   66    H    ASN 928           H        ASN 928  -6.503  -6.717   3.452
   67    HA   ASN 928           HA       ASN 928  -6.841  -4.063   4.411
   68   1HB   ASN 928          HB1       ASN 928  -5.654  -6.010   5.575
   69   2HB   ASN 928          HB2       ASN 928  -4.273  -5.631   4.557
   70   1HD2  ASN 928          2HD2      ASN 928  -4.643  -2.746   4.637
   71   2HD2  ASN 928          1HD2      ASN 928  -4.217  -2.247   6.238
   72    H    VAL 929           H        VAL 929  -4.715  -5.498   1.920
   73    HA   VAL 929           HA       VAL 929  -3.345  -3.090   1.415
   74    HB   VAL 929           HB       VAL 929  -3.842  -5.084  -0.772
   75   1HG1  VAL 929          1HG1      VAL 929  -1.499  -3.341  -0.013
   76   2HG1  VAL 929          2HG1      VAL 929  -1.587  -4.401  -1.419
   77   3HG1  VAL 929          3HG1      VAL 929  -2.660  -3.007  -1.297
   78   1HG2  VAL 929          1HG2      VAL 929  -1.958  -6.376   0.055
   79   2HG2  VAL 929          2HG2      VAL 929  -1.836  -5.323   1.464
   80   3HG2  VAL 929          3HG2      VAL 929  -3.256  -6.345   1.245
   81    H    THR 930           H        THR 930  -6.431  -4.298   0.241
   82    HA   THR 930           HA       THR 930  -6.983  -2.193  -1.558
   83    HB   THR 930           HB       THR 930  -8.960  -3.568   0.289
   84    HG1  THR 930           HG1      THR 930  -7.746  -5.051  -1.036
   85   1HG2  THR 930          1HG2      THR 930  -9.863  -1.567  -0.783
   86   2HG2  THR 930          2HG2      THR 930  -9.342  -2.164  -2.360
   87   3HG2  THR 930          3HG2      THR 930 -10.597  -3.021  -1.462
   88    H    GLY 931           H        GLY 931  -7.358  -2.570   1.903
   89   1HA   GLY 931          HA1       GLY 931  -8.318  -0.064   2.634
   90   2HA   GLY 931          HA2       GLY 931  -7.291  -1.072   3.638
   91    H    LEU 932           H        LEU 932  -5.020  -0.944   1.676
   92    HA   LEU 932           HA       LEU 932  -3.780   1.437   2.553
   93   1HB   LEU 932          HB1       LEU 932  -3.120  -0.556   0.417
   94   2HB   LEU 932          HB2       LEU 932  -2.233   0.951   0.495
   95    HG   LEU 932           HG       LEU 932  -1.627   0.348   2.882
   96   1HD1  LEU 932          1HD1      LEU 932  -3.383  -1.295   3.262
   97   2HD1  LEU 932          2HD1      LEU 932  -2.664  -2.345   2.039
   98   3HD1  LEU 932          3HD1      LEU 932  -1.778  -1.978   3.520
   99   1HD2  LEU 932          1HD2      LEU 932  -0.049   0.139   1.064
  100   2HD2  LEU 932          2HD2      LEU 932   0.124  -1.220   2.173
  101   3HD2  LEU 932          3HD2      LEU 932  -0.712  -1.440   0.636
  102    H    VAL 933           H        VAL 933  -5.404   0.568  -0.461
  103    HA   VAL 933           HA       VAL 933  -5.056   3.122  -1.665
  104    HB   VAL 933           HB       VAL 933  -7.113   0.984  -2.264
  105   1HG1  VAL 933          1HG1      VAL 933  -6.247   3.367  -3.899
  106   2HG1  VAL 933          2HG1      VAL 933  -7.317   2.081  -4.457
  107   3HG1  VAL 933          3HG1      VAL 933  -7.821   3.139  -3.138
  108   1HG2  VAL 933          1HG2      VAL 933  -4.433   1.567  -3.531
  109   2HG2  VAL 933          2HG2      VAL 933  -4.839   0.170  -2.531
  110   3HG2  VAL 933          3HG2      VAL 933  -5.602   0.376  -4.107
  111    H    LYS 934           H        LYS 934  -7.561   1.664   0.335
  112    HA   LYS 934           HA       LYS 934  -9.370   3.842   0.298
  113   1HB   LYS 934          HB1       LYS 934  -8.929   1.932   2.608
  114   2HB   LYS 934          HB2       LYS 934 -10.381   2.849   2.253
  115   1HG   LYS 934          HG1       LYS 934  -9.288   0.593   0.580
  116   2HG   LYS 934          HG2       LYS 934 -10.614   0.465   1.731
  117   1HD   LYS 934          HD1       LYS 934 -11.744   0.699  -0.266
  118   2HD   LYS 934          HD2       LYS 934 -11.677   2.370   0.296
  119   1HE   LYS 934          HE1       LYS 934  -9.890   2.885  -1.182
  120   2HE   LYS 934          HE2       LYS 934  -9.638   1.182  -1.573
  121   1HZ   LYS 934          HZ1       LYS 934 -11.920   2.904  -2.370
  122   2HZ   LYS 934          HZ2       LYS 934 -10.794   2.133  -3.375
  123   3HZ   LYS 934          HZ3       LYS 934 -11.937   1.212  -2.528
  124    H    ALA 935           H        ALA 935  -6.332   3.357   1.829
  125    HA   ALA 935           HA       ALA 935  -6.701   5.477   3.747
  126   1HB   ALA 935          HB1       ALA 935  -5.213   3.600   4.230
  127   2HB   ALA 935          HB2       ALA 935  -4.177   4.080   2.888
  128   3HB   ALA 935          HB3       ALA 935  -4.360   5.143   4.283
  129    H    VAL 936           H        VAL 936  -5.533   5.138   0.469
  130    HA   VAL 936           HA       VAL 936  -4.491   7.834   0.529
  131    HB   VAL 936           HB       VAL 936  -3.304   6.105  -0.783
  132   1HG1  VAL 936          1HG1      VAL 936  -5.222   4.906  -1.690
  133   2HG1  VAL 936          2HG1      VAL 936  -5.656   6.313  -2.660
  134   3HG1  VAL 936          3HG1      VAL 936  -4.150   5.452  -2.979
  135   1HG2  VAL 936          1HG2      VAL 936  -2.878   7.527  -2.750
  136   2HG2  VAL 936          2HG2      VAL 936  -4.296   8.491  -2.338
  137   3HG2  VAL 936          3HG2      VAL 936  -2.914   8.444  -1.243
  138    H    ILE 937           H        ILE 937  -7.463   6.260  -0.170
  139    HA   ILE 937           HA       ILE 937  -8.569   8.527  -1.527
  140    HB   ILE 937           HB       ILE 937 -10.739   7.583  -1.250
  141   1HG1  ILE 937          1HG1      ILE 937  -9.614   5.540   0.654
  142   2HG1  ILE 937          2HG1      ILE 937 -10.474   6.988   1.172
  143   1HG2  ILE 937          1HG2      ILE 937  -9.355   6.488  -2.891
  144   2HG2  ILE 937          2HG2      ILE 937  -8.750   5.376  -1.663
  145   3HG2  ILE 937          3HG2      ILE 937 -10.448   5.326  -2.137
  146   1HD1  ILE 937          1HD1      ILE 937 -12.457   6.228  -0.042
  147   2HD1  ILE 937          2HD1      ILE 937 -11.585   4.775  -0.533
  148   3HD1  ILE 937          3HD1      ILE 937 -11.934   5.059   1.172
  149    H    GLU 938           H        GLU 938  -8.265   7.443   1.810
  150    HA   GLU 938           HA       GLU 938  -9.352   9.597   3.177
  151   1HB   GLU 938          HB1       GLU 938  -6.741   8.171   3.754
  152   2HB   GLU 938          HB2       GLU 938  -7.597   9.205   4.886
  153   1HG   GLU 938          HG1       GLU 938  -8.853   6.765   3.678
  154   2HG   GLU 938          HG2       GLU 938  -7.901   6.713   5.163
  155    H    MET 939           H        MET 939  -6.206   9.274   1.647
  156    HA   MET 939           HA       MET 939  -5.140  11.783   2.335
  157   1HB   MET 939          HB1       MET 939  -3.729  10.032   1.418
  158   2HB   MET 939          HB2       MET 939  -4.638  10.038  -0.086
  159   1HG   MET 939          HG1       MET 939  -3.853  12.302  -0.554
  160   2HG   MET 939          HG2       MET 939  -2.940  12.296   0.954
  161   1HE   MET 939          HE1       MET 939  -0.182  12.083  -1.852
  162   2HE   MET 939          HE2       MET 939  -1.732  12.907  -2.013
  163   3HE   MET 939          HE3       MET 939  -0.820  13.031  -0.509
  164    H    SER 940           H        SER 940  -7.180  10.723  -0.316
  165    HA   SER 940           HA       SER 940  -7.204  13.175  -1.727
  166   1HB   SER 940          HB1       SER 940  -9.324  11.013  -1.717
  167   2HB   SER 940          HB2       SER 940  -9.066  12.229  -2.965
  168    HG   SER 940           HG       SER 940  -6.877  10.641  -2.330
  169    H    SER 941           H        SER 941  -9.219  11.851   0.877
  170    HA   SER 941           HA       SER 941 -11.208  13.927   0.600
  171   1HB   SER 941          HB1       SER 941 -11.724  11.610   1.448
  172   2HB   SER 941          HB2       SER 941 -10.816  12.002   2.909
  173    HG   SER 941           HG       SER 941 -12.370  13.319   3.558
  174    H    LYS 942           H        LYS 942  -8.572  13.105   2.740
  175    HA   LYS 942           HA       LYS 942  -8.605  15.023   4.665
  176   1HB   LYS 942          HB1       LYS 942  -6.575  13.451   3.254
  177   2HB   LYS 942          HB2       LYS 942  -5.955  14.924   3.984
  178   1HG   LYS 942          HG1       LYS 942  -7.568  12.886   5.482
  179   2HG   LYS 942          HG2       LYS 942  -5.802  12.881   5.400
  180   1HD   LYS 942          HD1       LYS 942  -5.757  15.135   6.317
  181   2HD   LYS 942          HD2       LYS 942  -7.521  15.131   6.412
  182   1HE   LYS 942          HE1       LYS 942  -5.588  13.379   7.934
  183   2HE   LYS 942          HE2       LYS 942  -6.649  14.622   8.595
  184   1HZ   LYS 942          HZ1       LYS 942  -7.321  11.914   7.646
  185   2HZ   LYS 942          HZ2       LYS 942  -7.815  12.724   9.052
  186   3HZ   LYS 942          HZ3       LYS 942  -8.499  13.139   7.561
  187    H    ILE 943           H        ILE 943  -7.100  15.343   1.463
  188    HA   ILE 943           HA       ILE 943  -6.252  17.993   1.978
  189    HB   ILE 943           HB       ILE 943  -5.049  16.522   0.415
  190   1HG1  ILE 943          1HG1      ILE 943  -6.122  19.018  -0.917
  191   2HG1  ILE 943          2HG1      ILE 943  -4.784  18.965   0.225
  192   1HG2  ILE 943          1HG2      ILE 943  -6.946  15.392  -0.599
  193   2HG2  ILE 943          2HG2      ILE 943  -7.427  16.890  -1.395
  194   3HG2  ILE 943          3HG2      ILE 943  -5.909  16.108  -1.832
  195   1HD1  ILE 943          1HD1      ILE 943  -4.841  17.670  -2.490
  196   2HD1  ILE 943          2HD1      ILE 943  -3.988  19.151  -2.057
  197   3HD1  ILE 943          3HD1      ILE 943  -3.499  17.611  -1.348
  198    H    GLN 944           H        GLN 944  -9.229  16.663   0.810
  199    HA   GLN 944           HA       GLN 944 -10.170  18.714  -0.813
  200   1HB   GLN 944          HB1       GLN 944 -11.772  16.985   1.074
  201   2HB   GLN 944          HB2       GLN 944 -12.470  18.030  -0.153
  202   1HG   GLN 944          HG1       GLN 944 -10.805  15.568  -0.540
  203   2HG   GLN 944          HG2       GLN 944 -12.468  15.850  -1.036
  204   1HE2  GLN 944          2HE2      GLN 944  -9.178  16.236  -1.784
  205   2HE2  GLN 944          1HE2      GLN 944  -9.364  16.938  -3.360
  206    HA   PRO 945           HA       PRO 945 -11.805  21.306   2.672
  207   1HB   PRO 945          HB1       PRO 945 -12.458  20.359   5.076
  208   2HB   PRO 945          HB2       PRO 945 -13.402  19.947   3.641
  209   1HG   PRO 945          HG1       PRO 945 -11.536  18.281   5.207
  210   2HG   PRO 945          HG2       PRO 945 -12.895  17.790   4.183
  211   1HD   PRO 945          HD1       PRO 945 -10.092  17.865   3.524
  212   2HD   PRO 945          HD2       PRO 945 -11.445  17.326   2.512
  213    H    ALA 946           H        ALA 946  -8.957  19.636   3.426
  214    HA   ALA 946           HA       ALA 946  -8.372  21.441   5.677
  215   1HB   ALA 946          HB1       ALA 946  -6.808  19.760   6.477
  216   2HB   ALA 946          HB2       ALA 946  -8.427  19.086   6.291
  217   3HB   ALA 946          HB3       ALA 946  -7.182  18.738   5.091
  218    HA   PRO 947           HA       PRO 947  -5.134  23.319   3.377
  219   1HB   PRO 947          HB1       PRO 947  -3.637  24.333   5.352
  220   2HB   PRO 947          HB2       PRO 947  -5.297  24.882   5.090
  221   1HG   PRO 947          HG1       PRO 947  -4.250  22.906   7.085
  222   2HG   PRO 947          HG2       PRO 947  -5.398  24.235   7.330
  223   1HD   PRO 947          HD1       PRO 947  -6.154  21.638   6.971
  224   2HD   PRO 947          HD2       PRO 947  -7.164  23.023   6.514
  225    HA   PRO 948           HA       PRO 948  -1.212  21.150   2.921
  226   1HB   PRO 948          HB1       PRO 948   0.207  23.424   4.235
  227   2HB   PRO 948          HB2       PRO 948   0.578  22.593   2.719
  228   1HG   PRO 948          HG1       PRO 948  -0.579  24.972   2.671
  229   2HG   PRO 948          HG2       PRO 948  -1.099  23.699   1.548
  230   1HD   PRO 948          HD1       PRO 948  -2.428  24.708   4.025
  231   2HD   PRO 948          HD2       PRO 948  -3.149  24.166   2.495
  232    H    GLU 949           H        GLU 949  -1.843  22.593   6.031
  233    HA   GLU 949           HA       GLU 949  -0.021  21.210   7.608
  234   1HB   GLU 949          HB1       GLU 949  -2.865  21.906   8.345
  235   2HB   GLU 949          HB2       GLU 949  -1.536  21.615   9.460
  236   1HG   GLU 949          HG1       GLU 949  -2.016  23.963   7.668
  237   2HG   GLU 949          HG2       GLU 949  -1.745  23.930   9.409
  238    H    GLU 950           H        GLU 950  -3.014  20.200   6.117
  239    HA   GLU 950           HA       GLU 950  -2.784  17.560   7.342
  240   1HB   GLU 950          HB1       GLU 950  -4.990  19.043   6.067
  241   2HB   GLU 950          HB2       GLU 950  -4.935  17.313   5.741
  242   1HG   GLU 950          HG1       GLU 950  -6.359  17.877   7.655
  243   2HG   GLU 950          HG2       GLU 950  -5.025  16.808   8.081
  244    H    TYR 951           H        TYR 951  -1.592  19.105   4.645
  245    HA   TYR 951           HA       TYR 951  -1.679  17.110   2.670
  246   1HB   TYR 951          HB1       TYR 951   0.487  19.068   3.428
  247   2HB   TYR 951          HB2       TYR 951   0.723  17.895   2.144
  248    HD1  TYR 951           HD1      TYR 951   1.225  20.279   1.141
  249    HD2  TYR 951           HD2      TYR 951  -2.658  18.795   2.032
  250    HE1  TYR 951           HE1      TYR 951   0.271  21.853  -0.467
  251    HE2  TYR 951           HE2      TYR 951  -3.633  20.373   0.414
  252    HH   TYR 951           HH       TYR 951  -3.020  22.569  -0.634
  253    H    VAL 952           H        VAL 952   0.346  17.559   5.508
  254    HA   VAL 952           HA       VAL 952   1.727  15.105   5.016
  255    HB   VAL 952           HB       VAL 952   3.154  16.452   6.141
  256   1HG1  VAL 952          1HG1      VAL 952   1.683  18.265   6.678
  257   2HG1  VAL 952          2HG1      VAL 952   0.914  17.328   7.959
  258   3HG1  VAL 952          3HG1      VAL 952   2.596  17.830   8.120
  259   1HG2  VAL 952          1HG2      VAL 952   1.871  14.898   8.393
  260   2HG2  VAL 952          2HG2      VAL 952   3.137  14.326   7.305
  261   3HG2  VAL 952          3HG2      VAL 952   3.472  15.634   8.441
  262    HA   PRO 953           HA       PRO 953  -1.272  13.303   8.566
  263   1HB   PRO 953          HB1       PRO 953  -3.496  15.113   7.750
  264   2HB   PRO 953          HB2       PRO 953  -3.222  14.304   9.302
  265   1HG   PRO 953          HG1       PRO 953  -2.628  16.860   9.047
  266   2HG   PRO 953          HG2       PRO 953  -1.514  15.776   9.905
  267   1HD   PRO 953          HD1       PRO 953  -1.299  16.937   7.168
  268   2HD   PRO 953          HD2       PRO 953  -0.027  16.603   8.357
  269    H    MET 954           H        MET 954  -2.327  14.557   5.375
  270    HA   MET 954           HA       MET 954  -4.162  12.425   4.973
  271   1HB   MET 954          HB1       MET 954  -4.354  13.131   2.694
  272   2HB   MET 954          HB2       MET 954  -4.291  14.558   3.711
  273   1HG   MET 954          HG1       MET 954  -1.948  14.879   3.099
  274   2HG   MET 954          HG2       MET 954  -2.030  13.448   2.071
  275   1HE   MET 954          HE1       MET 954  -1.868  16.357  -0.530
  276   2HE   MET 954          HE2       MET 954  -1.055  16.303   1.034
  277   3HE   MET 954          HE3       MET 954  -1.135  14.854   0.029
  278    H    VAL 955           H        VAL 955  -0.864  12.948   3.729
  279    HA   VAL 955           HA       VAL 955  -0.585  10.321   2.835
  280    HB   VAL 955           HB       VAL 955   1.623  12.137   3.840
  281   1HG1  VAL 955          1HG1      VAL 955   3.101  10.699   2.526
  282   2HG1  VAL 955          2HG1      VAL 955   2.309   9.798   3.820
  283   3HG1  VAL 955          3HG1      VAL 955   1.742   9.636   2.157
  284   1HG2  VAL 955          1HG2      VAL 955   1.956  12.615   1.462
  285   2HG2  VAL 955          2HG2      VAL 955   0.571  11.601   1.059
  286   3HG2  VAL 955          3HG2      VAL 955   0.337  13.085   1.985
  287    H    LYS 956           H        LYS 956  -0.458  11.606   6.072
  288    HA   LYS 956           HA       LYS 956   0.786   9.401   7.333
  289   1HB   LYS 956          HB1       LYS 956   0.305  11.484   8.540
  290   2HB   LYS 956          HB2       LYS 956  -1.420  11.209   8.347
  291   1HG   LYS 956          HG1       LYS 956   0.173   9.129   9.747
  292   2HG   LYS 956          HG2       LYS 956  -0.164  10.640  10.594
  293   1HD   LYS 956          HD1       LYS 956  -2.561  10.325  10.193
  294   2HD   LYS 956          HD2       LYS 956  -2.221   8.820   9.341
  295   1HE   LYS 956          HE1       LYS 956  -2.950   8.387  11.621
  296   2HE   LYS 956          HE2       LYS 956  -1.283   7.869  11.384
  297   1HZ   LYS 956          HZ1       LYS 956  -0.474   9.600  12.659
  298   2HZ   LYS 956          HZ2       LYS 956  -1.872  10.543  12.484
  299   3HZ   LYS 956          HZ3       LYS 956  -1.889   9.175  13.490
  300    H    GLU 957           H        GLU 957  -2.488  10.036   6.294
  301    HA   GLU 957           HA       GLU 957  -3.776   7.760   7.173
  302   1HB   GLU 957          HB1       GLU 957  -4.250   9.006   4.458
  303   2HB   GLU 957          HB2       GLU 957  -5.405   8.111   5.432
  304   1HG   GLU 957          HG1       GLU 957  -4.195  10.740   6.245
  305   2HG   GLU 957          HG2       GLU 957  -5.732  10.578   5.403
  306    H    VAL 958           H        VAL 958  -1.958   8.160   4.085
  307    HA   VAL 958           HA       VAL 958  -2.252   5.397   3.400
  308    HB   VAL 958           HB       VAL 958  -0.881   5.754   1.521
  309   1HG1  VAL 958          1HG1      VAL 958  -2.989   6.923   1.379
  310   2HG1  VAL 958          2HG1      VAL 958  -2.280   8.355   2.126
  311   3HG1  VAL 958          3HG1      VAL 958  -1.735   7.829   0.534
  312   1HG2  VAL 958          1HG2      VAL 958   0.201   8.241   2.854
  313   2HG2  VAL 958          2HG2      VAL 958   1.065   6.722   2.614
  314   3HG2  VAL 958          3HG2      VAL 958   0.587   7.694   1.221
  315    H    GLY 959           H        GLY 959  -0.006   7.140   5.396
  316   1HA   GLY 959          HA1       GLY 959   2.046   5.153   5.404
  317   2HA   GLY 959          HA2       GLY 959   1.796   6.386   6.635
  318    H    LEU 960           H        LEU 960  -0.648   5.845   7.588
  319    HA   LEU 960           HA       LEU 960  -0.489   3.567   9.180
  320   1HB   LEU 960          HB1       LEU 960  -2.007   5.491   9.579
  321   2HB   LEU 960          HB2       LEU 960  -3.007   4.950   8.245
  322    HG   LEU 960           HG       LEU 960  -3.482   2.854   9.483
  323   1HD1  LEU 960          1HD1      LEU 960  -2.900   2.700  11.846
  324   2HD1  LEU 960          2HD1      LEU 960  -1.454   2.775  10.839
  325   3HD1  LEU 960          3HD1      LEU 960  -1.985   4.203  11.726
  326   1HD2  LEU 960          1HD2      LEU 960  -4.949   3.875  11.170
  327   2HD2  LEU 960          2HD2      LEU 960  -4.118   5.415  10.942
  328   3HD2  LEU 960          3HD2      LEU 960  -5.038   4.703   9.616
  329    H    ALA 961           H        ALA 961  -1.464   3.912   5.910
  330    HA   ALA 961           HA       ALA 961  -2.966   1.542   5.579
  331   1HB   ALA 961          HB1       ALA 961  -2.474   1.752   3.200
  332   2HB   ALA 961          HB2       ALA 961  -2.951   3.300   3.898
  333   3HB   ALA 961          HB3       ALA 961  -1.252   2.972   3.558
  334    H    LEU 962           H        LEU 962   0.488   2.143   4.752
  335    HA   LEU 962           HA       LEU 962   1.089  -0.569   4.387
  336   1HB   LEU 962          HB1       LEU 962   2.620   0.894   3.471
  337   2HB   LEU 962          HB2       LEU 962   2.711   1.878   4.922
  338    HG   LEU 962           HG       LEU 962   3.999   0.070   6.037
  339   1HD1  LEU 962          1HD1      LEU 962   3.164  -1.831   4.768
  340   2HD1  LEU 962          2HD1      LEU 962   3.947  -1.217   3.311
  341   3HD1  LEU 962          3HD1      LEU 962   4.923  -1.742   4.683
  342   1HD2  LEU 962          1HD2      LEU 962   5.139   1.058   3.425
  343   2HD2  LEU 962          2HD2      LEU 962   5.160   1.916   4.965
  344   3HD2  LEU 962          3HD2      LEU 962   6.076   0.421   4.778
  345    H    ARG 963           H        ARG 963   1.349   1.464   7.329
  346    HA   ARG 963           HA       ARG 963   2.293  -0.355   9.127
  347   1HB   ARG 963          HB1       ARG 963   1.618   2.009   9.585
  348   2HB   ARG 963          HB2       ARG 963  -0.057   1.479   9.629
  349   1HG   ARG 963          HG1       ARG 963   0.805   1.705  11.869
  350   2HG   ARG 963          HG2       ARG 963   0.479   0.006  11.520
  351   1HD   ARG 963          HD1       ARG 963   2.626   0.381  12.708
  352   2HD   ARG 963          HD2       ARG 963   2.811  -0.424  11.150
  353    HE   ARG 963           HE       ARG 963   3.102   2.419  10.961
  354   1HH1  ARG 963          2HH1      ARG 963   4.785  -0.528  11.838
  355   2HH1  ARG 963          1HH1      ARG 963   6.353   0.088  11.410
  356   1HH2  ARG 963          2HH2      ARG 963   5.150   3.242  10.395
  357   2HH2  ARG 963          1HH2      ARG 963   6.567   2.245  10.595
  358    H    THR 964           H        THR 964  -1.216   0.107   8.622
  359    HA   THR 964           HA       THR 964  -2.041  -2.219   9.893
  360    HB   THR 964           HB       THR 964  -4.097  -2.116   8.405
  361    HG1  THR 964           HG1      THR 964  -2.856   0.288   7.494
  362   1HG2  THR 964          1HG2      THR 964  -3.269   0.388   9.867
  363   2HG2  THR 964          2HG2      THR 964  -4.922  -0.058   9.444
  364   3HG2  THR 964          3HG2      THR 964  -4.007  -1.042  10.587
  365    H    LEU 965           H        LEU 965  -1.000  -1.752   6.572
  366    HA   LEU 965           HA       LEU 965  -1.558  -4.271   5.525
  367   1HB   LEU 965          HB1       LEU 965  -0.823  -2.579   4.038
  368   2HB   LEU 965          HB2       LEU 965   0.648  -2.312   4.956
  369    HG   LEU 965           HG       LEU 965   1.426  -4.577   4.287
  370   1HD1  LEU 965          1HD1      LEU 965  -0.752  -5.582   3.866
  371   2HD1  LEU 965          2HD1      LEU 965  -0.979  -4.518   2.478
  372   3HD1  LEU 965          3HD1      LEU 965   0.307  -5.725   2.462
  373   1HD2  LEU 965          1HD2      LEU 965   0.762  -2.685   2.039
  374   2HD2  LEU 965          2HD2      LEU 965   2.188  -2.624   3.075
  375   3HD2  LEU 965          3HD2      LEU 965   1.957  -3.979   1.970
  376    H    LEU 966           H        LEU 966   1.044  -3.196   7.606
  377    HA   LEU 966           HA       LEU 966   2.649  -5.513   7.179
  378   1HB   LEU 966          HB1       LEU 966   3.387  -3.219   8.086
  379   2HB   LEU 966          HB2       LEU 966   2.834  -3.805   9.643
  380    HG   LEU 966           HG       LEU 966   4.732  -5.538   8.124
  381   1HD1  LEU 966          1HD1      LEU 966   6.647  -4.276   8.965
  382   2HD1  LEU 966          2HD1      LEU 966   5.677  -3.276   7.884
  383   3HD1  LEU 966          3HD1      LEU 966   5.571  -3.048   9.629
  384   1HD2  LEU 966          1HD2      LEU 966   5.538  -6.027  10.371
  385   2HD2  LEU 966          2HD2      LEU 966   4.486  -4.782  11.044
  386   3HD2  LEU 966          3HD2      LEU 966   3.787  -6.218  10.298
  387    H    ALA 967           H        ALA 967   0.002  -4.821   9.368
  388    HA   ALA 967           HA       ALA 967   0.254  -7.180  10.918
  389   1HB   ALA 967          HB1       ALA 967  -1.385  -5.442  11.461
  390   2HB   ALA 967          HB2       ALA 967  -2.271  -5.810   9.981
  391   3HB   ALA 967          HB3       ALA 967  -2.167  -7.011  11.268
  392    H    THR 968           H        THR 968  -1.113  -6.500   7.774
  393    HA   THR 968           HA       THR 968  -2.037  -9.118   7.197
  394    HB   THR 968           HB       THR 968  -1.506  -6.660   5.570
  395    HG1  THR 968           HG1      THR 968  -3.934  -7.908   5.410
  396   1HG2  THR 968          1HG2      THR 968  -2.370  -9.327   4.461
  397   2HG2  THR 968          2HG2      THR 968  -2.401  -7.795   3.590
  398   3HG2  THR 968          3HG2      THR 968  -0.861  -8.486   4.103
  399    H    VAL 969           H        VAL 969   0.982  -7.405   6.364
  400    HA   VAL 969           HA       VAL 969   2.079  -9.495   4.880
  401    HB   VAL 969           HB       VAL 969   4.263  -8.505   5.165
  402   1HG1  VAL 969          1HG1      VAL 969   3.803  -6.365   4.150
  403   2HG1  VAL 969          2HG1      VAL 969   2.719  -7.614   3.527
  404   3HG1  VAL 969          3HG1      VAL 969   2.134  -6.448   4.720
  405   1HG2  VAL 969          1HG2      VAL 969   4.600  -6.488   6.478
  406   2HG2  VAL 969          2HG2      VAL 969   2.989  -6.699   7.164
  407   3HG2  VAL 969          3HG2      VAL 969   4.240  -7.904   7.468
  408    H    ASP 970           H        ASP 970   1.876  -9.101   8.339
  409    HA   ASP 970           HA       ASP 970   3.677 -11.261   8.883
  410   1HB   ASP 970          HB1       ASP 970   3.009  -9.517  10.584
  411   2HB   ASP 970          HB2       ASP 970   1.423 -10.278  10.642
  412    H    GLU 971           H        GLU 971   0.361 -11.036   7.985
  413    HA   GLU 971           HA       GLU 971  -0.229 -13.821   8.429
  414   1HB   GLU 971          HB1       GLU 971  -1.500 -11.928   6.435
  415   2HB   GLU 971          HB2       GLU 971  -2.168 -13.454   6.998
  416   1HG   GLU 971          HG1       GLU 971  -1.621 -11.091   8.771
  417   2HG   GLU 971          HG2       GLU 971  -3.188 -11.435   8.021
  418    H    SER 972           H        SER 972   0.683 -11.882   5.596
  419    HA   SER 972           HA       SER 972   0.937 -14.028   3.815
  420   1HB   SER 972          HB1       SER 972   1.998 -12.368   2.373
  421   2HB   SER 972          HB2       SER 972   0.644 -11.641   3.206
  422    HG   SER 972           HG       SER 972   3.043 -10.729   3.125
  423    H    LEU 973           H        LEU 973   2.977 -12.775   6.308
  424    HA   LEU 973           HA       LEU 973   5.506 -13.539   5.409
  425   1HB   LEU 973          HB1       LEU 973   4.581 -12.186   7.545
  426   2HB   LEU 973          HB2       LEU 973   5.001 -13.697   8.322
  427    HG   LEU 973           HG       LEU 973   6.963 -12.182   6.612
  428   1HD1  LEU 973          1HD1      LEU 973   6.210 -10.693   8.386
  429   2HD1  LEU 973          2HD1      LEU 973   6.522 -11.946   9.587
  430   3HD1  LEU 973          3HD1      LEU 973   7.861 -11.240   8.682
  431   1HD2  LEU 973          1HD2      LEU 973   7.286 -14.250   8.785
  432   2HD2  LEU 973          2HD2      LEU 973   7.496 -14.516   7.054
  433   3HD2  LEU 973          3HD2      LEU 973   8.601 -13.450   7.923
  434    HA   PRO 974           HA       PRO 974   4.968 -17.875   7.620
  435   1HB   PRO 974          HB1       PRO 974   1.998 -18.023   7.483
  436   2HB   PRO 974          HB2       PRO 974   3.104 -18.691   8.691
  437   1HG   PRO 974          HG1       PRO 974   1.642 -16.536   9.230
  438   2HG   PRO 974          HG2       PRO 974   3.315 -16.675   9.806
  439   1HD   PRO 974          HD1       PRO 974   2.220 -15.086   7.526
  440   2HD   PRO 974          HD2       PRO 974   3.501 -14.670   8.680
  441    H    VAL 975           H        VAL 975   2.841 -16.362   5.277
  442    HA   VAL 975           HA       VAL 975   2.877 -18.715   3.569
  443    HB   VAL 975           HB       VAL 975   2.146 -16.026   2.469
  444   1HG1  VAL 975          1HG1      VAL 975   1.102 -18.841   2.145
  445   2HG1  VAL 975          2HG1      VAL 975   0.522 -17.422   1.272
  446   3HG1  VAL 975          3HG1      VAL 975   2.174 -17.991   1.034
  447   1HG2  VAL 975          1HG2      VAL 975  -0.117 -16.296   3.358
  448   2HG2  VAL 975          2HG2      VAL 975   0.400 -17.710   4.279
  449   3HG2  VAL 975          3HG2      VAL 975   1.053 -16.117   4.665
  450    H    LEU 976           H        LEU 976   5.018 -16.005   4.036
  451    HA   LEU 976           HA       LEU 976   6.413 -15.994   1.639
  452   1HB   LEU 976          HB1       LEU 976   7.417 -15.628   4.450
  453   2HB   LEU 976          HB2       LEU 976   8.538 -15.706   3.109
  454    HG   LEU 976           HG       LEU 976   7.680 -13.728   2.140
  455   1HD1  LEU 976          1HD1      LEU 976   5.319 -13.990   2.634
  456   2HD1  LEU 976          2HD1      LEU 976   5.637 -13.661   4.337
  457   3HD1  LEU 976          3HD1      LEU 976   5.913 -12.406   3.129
  458   1HD2  LEU 976          1HD2      LEU 976   9.336 -13.481   3.888
  459   2HD2  LEU 976          2HD2      LEU 976   8.211 -12.121   3.903
  460   3HD2  LEU 976          3HD2      LEU 976   8.065 -13.403   5.107
  461    HA   PRO 977           HA       PRO 977   9.044 -19.882   3.160
  462   1HB   PRO 977          HB1       PRO 977   7.021 -20.948   5.076
  463   2HB   PRO 977          HB2       PRO 977   8.786 -21.059   5.123
  464   1HG   PRO 977          HG1       PRO 977   7.513 -19.366   6.713
  465   2HG   PRO 977          HG2       PRO 977   9.031 -18.894   5.923
  466   1HD   PRO 977          HD1       PRO 977   6.221 -18.142   5.242
  467   2HD   PRO 977          HD2       PRO 977   7.697 -17.161   5.183
  468    H    ALA 978           H        ALA 978   5.482 -19.966   3.277
  469    HA   ALA 978           HA       ALA 978   5.108 -22.392   1.946
  470   1HB   ALA 978          HB1       ALA 978   3.348 -19.951   1.756
  471   2HB   ALA 978          HB2       ALA 978   2.882 -21.615   1.406
  472   3HB   ALA 978          HB3       ALA 978   3.302 -21.146   3.052
  473    H    SER 979           H        SER 979   5.334 -19.103   0.565
  474    HA   SER 979           HA       SER 979   6.726 -19.865  -1.737
  475   1HB   SER 979          HB1       SER 979   4.632 -21.085  -2.275
  476   2HB   SER 979          HB2       SER 979   3.744 -19.562  -2.210
  477    HG   SER 979           HG       SER 979   5.850 -20.238  -4.019
  478    H    THR 980           H        THR 980   4.609 -17.673  -0.104
  479    HA   THR 980           HA       THR 980   4.481 -15.448  -1.704
  480    HB   THR 980           HB       THR 980   4.757 -15.547   1.297
  481    HG1  THR 980           HG1      THR 980   2.297 -15.080   0.390
  482   1HG2  THR 980          1HG2      THR 980   3.578 -13.403   1.307
  483   2HG2  THR 980          2HG2      THR 980   5.123 -13.271   0.467
  484   3HG2  THR 980          3HG2      THR 980   3.622 -13.361  -0.454
  485    H    HIS 981           H        HIS 981   7.335 -16.618  -0.135
  486    HA   HIS 981           HA       HIS 981   8.773 -14.310   0.364
  487   1HB   HIS 981          HB1       HIS 981   9.454 -16.700   0.868
  488   2HB   HIS 981          HB2       HIS 981   9.999 -16.815  -0.801
  489    HD1  HIS 981           HD1      HIS 981  12.397 -16.269  -1.141
  490    HD2  HIS 981           HD2      HIS 981  10.845 -14.444   2.263
  491    HE1  HIS 981           HE1      HIS 981  14.341 -15.134  -0.029
  492    HE2  HIS 981           HE2      HIS 981  13.335 -13.845   1.887
  493    H    ARG 982           H        ARG 982   7.816 -15.572  -2.655
  494    HA   ARG 982           HA       ARG 982   9.809 -14.181  -4.232
  495   1HB   ARG 982          HB1       ARG 982   7.182 -15.416  -5.068
  496   2HB   ARG 982          HB2       ARG 982   8.392 -14.776  -6.170
  497   1HG   ARG 982          HG1       ARG 982  10.003 -16.438  -5.302
  498   2HG   ARG 982          HG2       ARG 982   8.710 -17.127  -4.318
  499   1HD   ARG 982          HD1       ARG 982   7.412 -17.551  -6.364
  500   2HD   ARG 982          HD2       ARG 982   8.744 -16.914  -7.323
  501    HE   ARG 982           HE       ARG 982   9.643 -19.015  -5.649
  502   1HH1  ARG 982          2HH1      ARG 982   7.808 -18.401  -8.563
  503   2HH1  ARG 982          1HH1      ARG 982   8.161 -19.949  -9.266
  504   1HH2  ARG 982          2HH2      ARG 982  10.076 -21.074  -6.548
  505   2HH2  ARG 982          1HH2      ARG 982   9.460 -21.467  -8.126
  506    H    GLU 983           H        GLU 983   6.297 -13.704  -3.671
  507    HA   GLU 983           HA       GLU 983   6.083 -11.214  -4.972
  508   1HB   GLU 983          HB1       GLU 983   4.007 -12.161  -4.457
  509   2HB   GLU 983          HB2       GLU 983   4.504 -12.558  -2.824
  510   1HG   GLU 983          HG1       GLU 983   4.661  -9.751  -3.081
  511   2HG   GLU 983          HG2       GLU 983   3.082 -10.277  -3.695
  512    H    ILE 984           H        ILE 984   6.385 -12.034  -1.602
  513    HA   ILE 984           HA       ILE 984   5.862  -9.431  -0.746
  514    HB   ILE 984           HB       ILE 984   5.512 -11.498   0.583
  515   1HG1  ILE 984          1HG1      ILE 984   6.401 -10.518   2.776
  516   2HG1  ILE 984          2HG1      ILE 984   7.163  -9.263   1.806
  517   1HG2  ILE 984          1HG2      ILE 984   7.607 -12.614   0.063
  518   2HG2  ILE 984          2HG2      ILE 984   8.525 -11.359   0.894
  519   3HG2  ILE 984          3HG2      ILE 984   7.459 -12.424   1.808
  520   1HD1  ILE 984          1HD1      ILE 984   5.059  -8.503   2.739
  521   2HD1  ILE 984          2HD1      ILE 984   4.980  -8.571   0.979
  522   3HD1  ILE 984          3HD1      ILE 984   4.214  -9.833   1.944
  523    H    GLU 985           H        GLU 985   8.909 -11.161  -1.285
  524    HA   GLU 985           HA       GLU 985  10.594  -9.052  -0.529
  525   1HB   GLU 985          HB1       GLU 985  10.933 -11.158  -2.649
  526   2HB   GLU 985          HB2       GLU 985  12.174  -9.957  -2.314
  527   1HG   GLU 985          HG1       GLU 985  11.903 -10.783   0.145
  528   2HG   GLU 985          HG2       GLU 985  11.212 -12.212  -0.626
  529    H    MET 986           H        MET 986   8.899  -9.581  -3.640
  530    HA   MET 986           HA       MET 986  10.208  -7.346  -4.822
  531   1HB   MET 986          HB1       MET 986   8.951  -7.718  -6.798
  532   2HB   MET 986          HB2       MET 986   9.398  -9.287  -6.158
  533   1HG   MET 986          HG1       MET 986   7.168  -9.611  -5.292
  534   2HG   MET 986          HG2       MET 986   6.700  -7.992  -5.811
  535   1HE   MET 986          HE1       MET 986   8.183  -7.834  -8.663
  536   2HE   MET 986          HE2       MET 986   6.873  -8.350  -9.724
  537   3HE   MET 986          HE3       MET 986   6.537  -7.264  -8.376
  538    H    ALA 987           H        ALA 987   6.889  -7.804  -3.655
  539    HA   ALA 987           HA       ALA 987   6.167  -5.149  -4.440
  540   1HB   ALA 987          HB1       ALA 987   4.583  -7.000  -4.583
  541   2HB   ALA 987          HB2       ALA 987   4.620  -7.164  -2.828
  542   3HB   ALA 987          HB3       ALA 987   3.978  -5.694  -3.563
  543    H    GLN 988           H        GLN 988   6.701  -6.801  -1.320
  544    HA   GLN 988           HA       GLN 988   5.954  -4.600   0.268
  545   1HB   GLN 988          HB1       GLN 988   6.085  -6.784   1.269
  546   2HB   GLN 988          HB2       GLN 988   7.792  -6.918   0.879
  547   1HG   GLN 988          HG1       GLN 988   7.948  -6.383   3.074
  548   2HG   GLN 988          HG2       GLN 988   7.955  -4.763   2.382
  549   1HE2  GLN 988          2HE2      GLN 988   5.068  -4.939   1.749
  550   2HE2  GLN 988          1HE2      GLN 988   4.260  -4.711   3.257
  551    H    LYS 989           H        LYS 989   9.167  -5.604  -0.953
  552    HA   LYS 989           HA       LYS 989  10.549  -3.474   0.329
  553   1HB   LYS 989          HB1       LYS 989  11.614  -5.554  -0.596
  554   2HB   LYS 989          HB2       LYS 989  11.354  -4.907  -2.209
  555   1HG   LYS 989          HG1       LYS 989  12.784  -3.013  -1.701
  556   2HG   LYS 989          HG2       LYS 989  13.016  -3.615  -0.057
  557   1HD   LYS 989          HD1       LYS 989  13.992  -5.688  -1.018
  558   2HD   LYS 989          HD2       LYS 989  13.875  -4.953  -2.618
  559   1HE   LYS 989          HE1       LYS 989  15.339  -3.138  -1.900
  560   2HE   LYS 989          HE2       LYS 989  15.444  -3.851  -0.290
  561   1HZ   LYS 989          HZ1       LYS 989  17.376  -4.467  -1.501
  562   2HZ   LYS 989          HZ2       LYS 989  16.409  -5.854  -1.369
  563   3HZ   LYS 989          HZ3       LYS 989  16.463  -4.997  -2.831
  564    H    LEU 990           H        LEU 990   8.862  -3.839  -2.681
  565    HA   LEU 990           HA       LEU 990   9.615  -1.425  -3.912
  566   1HB   LEU 990          HB1       LEU 990   8.607  -2.676  -5.474
  567   2HB   LEU 990          HB2       LEU 990   7.660  -3.556  -4.299
  568    HG   LEU 990           HG       LEU 990   6.020  -1.679  -4.285
  569   1HD1  LEU 990          1HD1      LEU 990   7.658  -0.686  -6.622
  570   2HD1  LEU 990          2HD1      LEU 990   6.089  -0.055  -6.123
  571   3HD1  LEU 990          3HD1      LEU 990   7.487   0.120  -5.063
  572   1HD2  LEU 990          1HD2      LEU 990   5.669  -3.683  -5.622
  573   2HD2  LEU 990          2HD2      LEU 990   5.024  -2.255  -6.432
  574   3HD2  LEU 990          3HD2      LEU 990   6.554  -2.954  -6.962
  575    H    LEU 991           H        LEU 991   6.826  -2.232  -1.823
  576    HA   LEU 991           HA       LEU 991   5.822   0.440  -2.021
  577   1HB   LEU 991          HB1       LEU 991   4.177  -0.295  -0.292
  578   2HB   LEU 991          HB2       LEU 991   4.166  -1.197  -1.788
  579    HG   LEU 991           HG       LEU 991   5.566  -2.948  -0.544
  580   1HD1  LEU 991          1HD1      LEU 991   5.238  -2.983   1.881
  581   2HD1  LEU 991          2HD1      LEU 991   6.170  -1.571   1.378
  582   3HD1  LEU 991          3HD1      LEU 991   4.467  -1.399   1.799
  583   1HD2  LEU 991          1HD2      LEU 991   2.710  -2.387   0.222
  584   2HD2  LEU 991          2HD2      LEU 991   3.266  -3.278  -1.195
  585   3HD2  LEU 991          3HD2      LEU 991   3.538  -3.932   0.420
  586    H    ASN 992           H        ASN 992   7.887  -1.262   0.188
  587    HA   ASN 992           HA       ASN 992   7.834   0.522   2.333
  588   1HB   ASN 992          HB1       ASN 992   9.098  -1.621   2.345
  589   2HB   ASN 992          HB2       ASN 992  10.265  -0.918   1.229
  590   1HD2  ASN 992          2HD2      ASN 992  11.993  -1.096   2.612
  591   2HD2  ASN 992          1HD2      ASN 992  12.144  -0.137   4.045
  592    H    SER 993           H        SER 993   9.555   0.616  -0.723
  593    HA   SER 993           HA       SER 993  11.025   2.991  -0.087
  594   1HB   SER 993          HB1       SER 993  10.634   1.682  -2.783
  595   2HB   SER 993          HB2       SER 993  11.924   2.789  -2.315
  596    HG   SER 993           HG       SER 993  11.477   0.136  -1.405
  597    H    ASP 994           H        ASP 994   7.937   2.309  -1.535
  598    HA   ASP 994           HA       ASP 994   7.902   4.916  -2.858
  599   1HB   ASP 994          HB1       ASP 994   6.339   2.406  -3.227
  600   2HB   ASP 994          HB2       ASP 994   5.624   3.935  -3.730
  601    H    LEU 995           H        LEU 995   5.873   3.064  -0.543
  602    HA   LEU 995           HA       LEU 995   4.144   5.107   0.230
  603   1HB   LEU 995          HB1       LEU 995   4.574   2.589   1.133
  604   2HB   LEU 995          HB2       LEU 995   5.394   3.470   2.398
  605    HG   LEU 995           HG       LEU 995   3.266   3.066   3.239
  606   1HD1  LEU 995          1HD1      LEU 995   3.909   5.363   3.598
  607   2HD1  LEU 995          2HD1      LEU 995   3.169   5.834   2.069
  608   3HD1  LEU 995          3HD1      LEU 995   2.161   5.240   3.388
  609   1HD2  LEU 995          1HD2      LEU 995   2.212   2.284   1.216
  610   2HD2  LEU 995          2HD2      LEU 995   1.190   3.485   2.007
  611   3HD2  LEU 995          3HD2      LEU 995   2.136   3.929   0.587
  612    H    ALA 996           H        ALA 996   7.400   4.348   1.279
  613    HA   ALA 996           HA       ALA 996   7.888   6.381   3.087
  614   1HB   ALA 996          HB1       ALA 996   9.461   4.554   2.669
  615   2HB   ALA 996          HB2       ALA 996   9.891   5.287   1.124
  616   3HB   ALA 996          HB3       ALA 996  10.255   6.127   2.632
  617    H    GLU 997           H        GLU 997   8.394   6.578  -0.458
  618    HA   GLU 997           HA       GLU 997   9.278   9.221  -0.434
  619   1HB   GLU 997          HB1       GLU 997   7.736   7.750  -2.570
  620   2HB   GLU 997          HB2       GLU 997   8.499   9.326  -2.793
  621   1HG   GLU 997          HG1       GLU 997   9.961   6.863  -1.922
  622   2HG   GLU 997          HG2       GLU 997   9.830   7.385  -3.605
  623    H    LEU 998           H        LEU 998   5.999   7.953  -0.327
  624    HA   LEU 998           HA       LEU 998   4.810  10.491  -0.860
  625   1HB   LEU 998          HB1       LEU 998   3.864   7.840  -0.072
  626   2HB   LEU 998          HB2       LEU 998   2.927   9.159   0.609
  627    HG   LEU 998           HG       LEU 998   2.031   8.308  -1.548
  628   1HD1  LEU 998          1HD1      LEU 998   3.031  11.153  -1.597
  629   2HD1  LEU 998          2HD1      LEU 998   1.704  10.505  -2.561
  630   3HD1  LEU 998          3HD1      LEU 998   1.559  10.589  -0.804
  631   1HD2  LEU 998          1HD2      LEU 998   4.197   7.768  -2.567
  632   2HD2  LEU 998          2HD2      LEU 998   3.219   8.813  -3.599
  633   3HD2  LEU 998          3HD2      LEU 998   4.562   9.490  -2.675
  634    H    ILE 999           H        ILE 999   5.933   8.829   1.995
  635    HA   ILE 999           HA       ILE 999   4.683  10.732   3.770
  636    HB   ILE 999           HB       ILE 999   5.815   9.746   5.612
  637   1HG1  ILE 999          1HG1      ILE 999   7.538   8.224   3.645
  638   2HG1  ILE 999          2HG1      ILE 999   8.072   9.591   4.616
  639   1HG2  ILE 999          1HG2      ILE 999   5.217   7.374   5.355
  640   2HG2  ILE 999          2HG2      ILE 999   3.972   8.465   4.743
  641   3HG2  ILE 999          3HG2      ILE 999   5.042   7.627   3.618
  642   1HD1  ILE 999          1HD1      ILE 999   7.697   8.319   6.649
  643   2HD1  ILE 999          2HD1      ILE 999   7.114   6.952   5.697
  644   3HD1  ILE 999          3HD1      ILE 999   8.795   7.467   5.563
  645    H    ASN1000           H        ASN1000   7.487  10.755   1.844
  646    HA   ASN1000           HA       ASN1000   8.381  13.185   3.231
  647   1HB   ASN1000          HB1       ASN1000  10.481  12.944   2.187
  648   2HB   ASN1000          HB2       ASN1000  10.011  11.310   2.619
  649   1HD2  ASN1000          2HD2      ASN1000  11.064  10.149   1.234
  650   2HD2  ASN1000          1HD2      ASN1000  10.936  10.245  -0.489
  651    H    LYS1001           H        LYS1001   6.350  12.237   0.846
  652    HA   LYS1001           HA       LYS1001   6.638  14.676  -0.717
  653   1HB   LYS1001          HB1       LYS1001   4.615  12.437  -0.839
  654   2HB   LYS1001          HB2       LYS1001   4.482  13.900  -1.805
  655   1HG   LYS1001          HG1       LYS1001   6.697  11.866  -1.905
  656   2HG   LYS1001          HG2       LYS1001   5.460  12.155  -3.128
  657   1HD   LYS1001          HD1       LYS1001   6.357  14.349  -3.582
  658   2HD   LYS1001          HD2       LYS1001   7.510  14.191  -2.254
  659   1HE   LYS1001          HE1       LYS1001   7.425  12.456  -4.719
  660   2HE   LYS1001          HE2       LYS1001   8.549  13.788  -4.450
  661   1HZ   LYS1001          HZ1       LYS1001   9.637  12.624  -2.769
  662   2HZ   LYS1001          HZ2       LYS1001   8.373  11.524  -2.559
  663   3HZ   LYS1001          HZ3       LYS1001   9.345  11.440  -3.944
  664    H    MET1002           H        MET1002   4.736  13.329   1.879
  665    HA   MET1002           HA       MET1002   3.003  15.581   2.181
  666   1HB   MET1002          HB1       MET1002   2.356  14.603   4.264
  667   2HB   MET1002          HB2       MET1002   2.595  13.264   3.155
  668   1HG   MET1002          HG1       MET1002   4.822  12.883   4.131
  669   2HG   MET1002          HG2       MET1002   4.516  14.188   5.278
  670   1HE   MET1002          HE1       MET1002   5.415  11.404   6.325
  671   2HE   MET1002          HE2       MET1002   4.939  12.715   7.404
  672   3HE   MET1002          HE3       MET1002   4.263  11.100   7.624
  673    H    LYS1003           H        LYS1003   6.063  14.460   3.452
  674    HA   LYS1003           HA       LYS1003   6.646  16.650   5.087
  675   1HB   LYS1003          HB1       LYS1003   7.912  14.550   5.154
  676   2HB   LYS1003          HB2       LYS1003   8.512  14.844   3.530
  677   1HG   LYS1003          HG1       LYS1003  10.189  15.367   5.211
  678   2HG   LYS1003          HG2       LYS1003   9.714  16.808   4.313
  679   1HD   LYS1003          HD1       LYS1003   9.899  17.334   6.666
  680   2HD   LYS1003          HD2       LYS1003   8.213  17.439   6.166
  681   1HE   LYS1003          HE1       LYS1003   7.780  15.237   7.123
  682   2HE   LYS1003          HE2       LYS1003   9.476  15.096   7.587
  683   1HZ   LYS1003          HZ1       LYS1003   8.022  15.798   9.431
  684   2HZ   LYS1003          HZ2       LYS1003   9.226  16.940   9.082
  685   3HZ   LYS1003          HZ3       LYS1003   7.634  17.207   8.573
  686    H    LEU1004           H        LEU1004   7.637  15.969   1.719
  687    HA   LEU1004           HA       LEU1004   8.795  18.396   1.147
  688   1HB   LEU1004          HB1       LEU1004   7.440  16.343  -0.540
  689   2HB   LEU1004          HB2       LEU1004   7.954  17.854  -1.270
  690    HG   LEU1004           HG       LEU1004   9.722  15.834   0.110
  691   1HD1  LEU1004          1HD1      LEU1004   8.962  15.171  -2.120
  692   2HD1  LEU1004          2HD1      LEU1004   9.565  16.694  -2.774
  693   3HD1  LEU1004          3HD1      LEU1004  10.692  15.519  -2.095
  694   1HD2  LEU1004          1HD2      LEU1004  11.585  17.265  -0.569
  695   2HD2  LEU1004          2HD2      LEU1004  10.441  18.464  -1.173
  696   3HD2  LEU1004          3HD2      LEU1004  10.504  18.098   0.550
  697    H    ALA1005           H        ALA1005   5.359  17.541   0.680
  698    HA   ALA1005           HA       ALA1005   4.575  19.985  -0.451
  699   1HB   ALA1005          HB1       ALA1005   2.307  19.369   0.212
  700   2HB   ALA1005          HB2       ALA1005   3.166  17.985  -0.465
  701   3HB   ALA1005          HB3       ALA1005   2.950  18.122   1.280
  702    H    GLN1006           H        GLN1006   4.599  18.911   2.923
  703    HA   GLN1006           HA       GLN1006   3.742  21.449   3.942
  704   1HB   GLN1006          HB1       GLN1006   3.716  20.408   5.998
  705   2HB   GLN1006          HB2       GLN1006   3.592  19.010   4.932
  706   1HG   GLN1006          HG1       GLN1006   5.814  18.399   5.263
  707   2HG   GLN1006          HG2       GLN1006   6.248  19.973   5.927
  708   1HE2  GLN1006          2HE2      GLN1006   3.918  20.137   7.644
  709   2HE2  GLN1006          1HE2      GLN1006   4.191  19.019   8.939
  710    H    GLN1007           H        GLN1007   6.598  20.261   2.733
  711    HA   GLN1007           HA       GLN1007   8.414  21.826   4.358
  712   1HB   GLN1007          HB1       GLN1007   8.740  19.452   3.158
  713   2HB   GLN1007          HB2       GLN1007   9.242  20.484   1.824
  714   1HG   GLN1007          HG1       GLN1007  11.210  19.931   2.910
  715   2HG   GLN1007          HG2       GLN1007  10.853  21.562   3.483
  716   1HE2  GLN1007          2HE2      GLN1007   8.626  20.202   5.156
  717   2HE2  GLN1007          1HE2      GLN1007   9.490  19.648   6.547
  718    H    TYR1008           H        TYR1008   6.764  22.016   1.327
  719    HA   TYR1008           HA       TYR1008   8.158  24.544   0.719
  720   1HB   TYR1008          HB1       TYR1008   8.538  22.604  -0.872
  721   2HB   TYR1008          HB2       TYR1008   6.830  22.700  -1.277
  722    HD1  TYR1008           HD1      TYR1008   9.498  25.290  -0.846
  723    HD2  TYR1008           HD2      TYR1008   6.575  23.536  -3.399
  724    HE1  TYR1008           HE1      TYR1008  10.029  26.950  -2.580
  725    HE2  TYR1008           HE2      TYR1008   7.101  25.195  -5.143
  726    HH   TYR1008           HH       TYR1008   9.844  27.283  -4.937
  727    H    VAL1009           H        VAL1009   5.687  23.716   2.262
  728    HA   VAL1009           HA       VAL1009   3.312  24.454   1.205
  729    HB   VAL1009           HB       VAL1009   3.445  23.656   3.453
  730   1HG1  VAL1009          1HG1      VAL1009   4.335  24.982   5.303
  731   2HG1  VAL1009          2HG1      VAL1009   5.579  24.625   4.105
  732   3HG1  VAL1009          3HG1      VAL1009   4.846  26.228   4.165
  733   1HG2  VAL1009          1HG2      VAL1009   2.372  26.474   3.405
  734   2HG2  VAL1009          2HG2      VAL1009   1.497  25.006   2.970
  735   3HG2  VAL1009          3HG2      VAL1009   2.002  25.270   4.640
  736    H    MET1010           H        MET1010   3.292  26.044  -0.308
  737    HA   MET1010           HA       MET1010   3.156  28.743   0.786
  738   1HB   MET1010          HB1       MET1010   5.423  28.535  -0.212
  739   2HB   MET1010          HB2       MET1010   4.683  28.106  -1.749
  740   1HG   MET1010          HG1       MET1010   5.409  30.464  -1.615
  741   2HG   MET1010          HG2       MET1010   3.690  30.269  -1.954
  742   1HE   MET1010          HE1       MET1010   5.149  32.979  -0.915
  743   2HE   MET1010          HE2       MET1010   3.434  32.897  -1.321
  744   3HE   MET1010          HE3       MET1010   3.943  33.565   0.230
  745    H    THR1011           H        THR1011   1.532  29.927  -0.110
  746    HA   THR1011           HA       THR1011  -0.726  28.618  -0.791
  747    HB   THR1011           HB       THR1011  -1.573  30.816  -1.708
  748    HG1  THR1011           HG1      THR1011  -0.007  32.585  -1.238
  749   1HG2  THR1011          1HG2      THR1011  -1.439  31.946   0.466
  750   2HG2  THR1011          2HG2      THR1011  -1.752  30.222   0.664
  751   3HG2  THR1011          3HG2      THR1011  -0.135  30.862   0.953
  752    H    SER1012           H        SER1012   1.435  30.138  -3.220
  753    HA   SER1012           HA       SER1012  -0.154  28.745  -5.270
  754   1HB   SER1012          HB1       SER1012   1.610  31.168  -5.656
  755   2HB   SER1012          HB2       SER1012   0.483  30.475  -6.824
  756    HG   SER1012           HG       SER1012  -0.195  31.627  -4.314
  757    H    LEU1013           H        LEU1013   3.021  29.043  -3.913
  758    HA   LEU1013           HA       LEU1013   4.354  27.973  -6.241
  759   1HB   LEU1013          HB1       LEU1013   5.273  28.765  -3.501
  760   2HB   LEU1013          HB2       LEU1013   6.321  27.840  -4.556
  761    HG   LEU1013           HG       LEU1013   6.931  30.134  -4.763
  762   1HD1  LEU1013          1HD1      LEU1013   6.550  30.553  -7.137
  763   2HD1  LEU1013          2HD1      LEU1013   6.947  28.862  -6.830
  764   3HD1  LEU1013          3HD1      LEU1013   5.277  29.331  -7.147
  765   1HD2  LEU1013          1HD2      LEU1013   4.042  30.721  -5.387
  766   2HD2  LEU1013          2HD2      LEU1013   4.886  31.143  -3.897
  767   3HD2  LEU1013          3HD2      LEU1013   5.369  31.883  -5.424
  768    H    GLN1014           H        GLN1014   2.847  26.707  -3.431
  769    HA   GLN1014           HA       GLN1014   4.302  24.414  -2.863
  770   1HB   GLN1014          HB1       GLN1014   2.111  25.499  -1.821
  771   2HB   GLN1014          HB2       GLN1014   1.314  24.308  -2.831
  772   1HG   GLN1014          HG1       GLN1014   3.105  23.885  -0.475
  773   2HG   GLN1014          HG2       GLN1014   1.470  23.295  -0.749
  774   1HE2  GLN1014          2HE2      GLN1014   1.198  21.660  -2.424
  775   2HE2  GLN1014          1HE2      GLN1014   2.487  20.537  -2.692
  776    H    GLN1015           H        GLN1015   2.187  25.078  -5.536
  777    HA   GLN1015           HA       GLN1015   1.189  22.525  -6.054
  778   1HB   GLN1015          HB1       GLN1015   0.670  23.321  -8.289
  779   2HB   GLN1015          HB2       GLN1015   0.254  24.514  -7.073
  780   1HG   GLN1015          HG1       GLN1015   2.214  25.812  -7.605
  781   2HG   GLN1015          HG2       GLN1015   2.756  24.581  -8.745
  782   1HE2  GLN1015          2HE2      GLN1015   0.070  24.080  -9.744
  783   2HE2  GLN1015          1HE2      GLN1015  -0.334  25.430 -10.750
  784    H    GLU1016           H        GLU1016   4.172  24.022  -7.206
  785    HA   GLU1016           HA       GLU1016   5.150  22.068  -8.855
  786   1HB   GLU1016          HB1       GLU1016   6.422  24.102  -8.371
  787   2HB   GLU1016          HB2       GLU1016   6.761  23.514  -6.745
  788   1HG   GLU1016          HG1       GLU1016   8.010  21.651  -7.640
  789   2HG   GLU1016          HG2       GLU1016   7.607  22.139  -9.283
  790    H    TYR1017           H        TYR1017   5.541  22.066  -5.300
  791    HA   TYR1017           HA       TYR1017   6.590  19.400  -5.299
  792   1HB   TYR1017          HB1       TYR1017   5.781  21.348  -3.168
  793   2HB   TYR1017          HB2       TYR1017   6.067  19.663  -2.744
  794    HD1  TYR1017           HD1      TYR1017   8.036  19.818  -1.457
  795    HD2  TYR1017           HD2      TYR1017   7.891  21.679  -5.285
  796    HE1  TYR1017           HE1      TYR1017  10.451  20.240  -1.344
  797    HE2  TYR1017           HE2      TYR1017  10.308  22.112  -5.170
  798    HH   TYR1017           HH       TYR1017  12.060  22.352  -3.466
  799    H    LYS1018           H        LYS1018   3.464  20.790  -5.266
  800    HA   LYS1018           HA       LYS1018   1.996  18.628  -4.167
  801   1HB   LYS1018          HB1       LYS1018   0.966  20.795  -4.376
  802   2HB   LYS1018          HB2       LYS1018   1.233  20.812  -6.111
  803   1HG   LYS1018          HG1       LYS1018  -0.328  18.866  -6.287
  804   2HG   LYS1018          HG2       LYS1018  -0.694  19.090  -4.571
  805   1HD   LYS1018          HD1       LYS1018  -1.483  21.338  -5.000
  806   2HD   LYS1018          HD2       LYS1018  -1.013  21.210  -6.696
  807   1HE   LYS1018          HE1       LYS1018  -2.629  19.351  -6.955
  808   2HE   LYS1018          HE2       LYS1018  -3.144  19.605  -5.288
  809   1HZ   LYS1018          HZ1       LYS1018  -3.883  21.813  -5.856
  810   2HZ   LYS1018          HZ2       LYS1018  -3.295  21.649  -7.439
  811   3HZ   LYS1018          HZ3       LYS1018  -4.598  20.696  -6.920
  812    H    LYS1019           H        LYS1019   2.850  19.503  -7.511
  813    HA   LYS1019           HA       LYS1019   1.579  17.196  -8.629
  814   1HB   LYS1019          HB1       LYS1019   2.579  17.874 -10.732
  815   2HB   LYS1019          HB2       LYS1019   1.900  19.272  -9.910
  816   1HG   LYS1019          HG1       LYS1019   4.162  19.878  -9.134
  817   2HG   LYS1019          HG2       LYS1019   4.812  18.514 -10.051
  818   1HD   LYS1019          HD1       LYS1019   3.849  19.490 -12.102
  819   2HD   LYS1019          HD2       LYS1019   3.308  20.879 -11.162
  820   1HE   LYS1019          HE1       LYS1019   5.634  21.390 -10.588
  821   2HE   LYS1019          HE2       LYS1019   6.169  20.005 -11.542
  822   1HZ   LYS1019          HZ1       LYS1019   5.105  21.050 -13.492
  823   2HZ   LYS1019          HZ2       LYS1019   4.772  22.420 -12.548
  824   3HZ   LYS1019          HZ3       LYS1019   6.376  21.979 -12.856
  825    H    GLN1020           H        GLN1020   4.569  17.780  -7.149
  826    HA   GLN1020           HA       GLN1020   5.915  15.493  -8.333
  827   1HB   GLN1020          HB1       GLN1020   6.649  17.374  -6.092
  828   2HB   GLN1020          HB2       GLN1020   7.594  15.934  -6.450
  829   1HG   GLN1020          HG1       GLN1020   8.007  16.750  -8.704
  830   2HG   GLN1020          HG2       GLN1020   7.033  18.181  -8.372
  831   1HE2  GLN1020          2HE2      GLN1020   7.864  19.805  -7.114
  832   2HE2  GLN1020          1HE2      GLN1020   9.539  19.895  -6.682
  833    H    MET1021           H        MET1021   4.135  16.355  -5.468
  834    HA   MET1021           HA       MET1021   4.385  13.853  -4.141
  835   1HB   MET1021          HB1       MET1021   3.768  15.818  -2.896
  836   2HB   MET1021          HB2       MET1021   2.376  16.098  -3.931
  837   1HG   MET1021          HG1       MET1021   1.322  14.079  -3.083
  838   2HG   MET1021          HG2       MET1021   2.727  13.762  -2.065
  839   1HE   MET1021          HE1       MET1021   0.074  17.503  -1.537
  840   2HE   MET1021          HE2       MET1021   1.288  17.332  -2.806
  841   3HE   MET1021          HE3       MET1021  -0.162  16.330  -2.832
  842    H    LEU1022           H        LEU1022   2.061  15.241  -6.414
  843    HA   LEU1022           HA       LEU1022   0.161  13.162  -6.307
  844   1HB   LEU1022          HB1       LEU1022  -0.303  15.384  -7.240
  845   2HB   LEU1022          HB2       LEU1022   0.794  15.060  -8.567
  846    HG   LEU1022           HG       LEU1022  -0.692  13.220  -9.310
  847   1HD1  LEU1022          1HD1      LEU1022  -1.717  12.672  -7.179
  848   2HD1  LEU1022          2HD1      LEU1022  -2.507  14.248  -7.135
  849   3HD1  LEU1022          3HD1      LEU1022  -2.951  13.074  -8.374
  850   1HD2  LEU1022          1HD2      LEU1022  -0.881  15.444 -10.287
  851   2HD2  LEU1022          2HD2      LEU1022  -2.458  14.661 -10.190
  852   3HD2  LEU1022          3HD2      LEU1022  -2.021  15.912  -9.026
  853    H    THR1023           H        THR1023   2.829  13.752  -8.594
  854    HA   THR1023           HA       THR1023   2.442  11.452 -10.156
  855    HB   THR1023           HB       THR1023   5.067  12.860  -9.620
  856    HG1  THR1023           HG1      THR1023   3.916  14.471 -10.456
  857   1HG2  THR1023          1HG2      THR1023   5.282  10.707 -10.792
  858   2HG2  THR1023          2HG2      THR1023   4.120  11.254 -12.000
  859   3HG2  THR1023          3HG2      THR1023   5.680  12.061 -11.848
  860    H    ALA1024           H        ALA1024   4.112  11.976  -7.129
  861    HA   ALA1024           HA       ALA1024   5.363   9.386  -7.087
  862   1HB   ALA1024          HB1       ALA1024   5.968   9.932  -4.790
  863   2HB   ALA1024          HB2       ALA1024   6.345  11.273  -5.872
  864   3HB   ALA1024          HB3       ALA1024   4.918  11.347  -4.838
  865    H    ALA1025           H        ALA1025   2.434  10.865  -5.829
  866    HA   ALA1025           HA       ALA1025   1.553   8.772  -4.185
  867   1HB   ALA1025          HB1       ALA1025   0.558  11.007  -4.137
  868   2HB   ALA1025          HB2       ALA1025  -0.106  10.748  -5.750
  869   3HB   ALA1025          HB3       ALA1025  -0.668   9.766  -4.397
  870    H    HIS1026           H        HIS1026   1.185   9.369  -7.642
  871    HA   HIS1026           HA       HIS1026  -0.502   7.190  -8.200
  872   1HB   HIS1026          HB1       HIS1026  -0.027   9.010  -9.818
  873   2HB   HIS1026          HB2       HIS1026   1.616   8.401  -9.993
  874    HD1  HIS1026           HD1      HIS1026  -1.938   7.632 -10.912
  875    HD2  HIS1026           HD2      HIS1026   1.886   6.143 -11.615
  876    HE1  HIS1026           HE1      HIS1026  -2.198   5.918 -12.738
  877    HE2  HIS1026           HE2      HIS1026   0.095   4.907 -13.022
  878    H    ALA1027           H        ALA1027   2.972   7.460  -7.806
  879    HA   ALA1027           HA       ALA1027   3.568   4.820  -8.693
  880   1HB   ALA1027          HB1       ALA1027   5.777   5.203  -7.758
  881   2HB   ALA1027          HB2       ALA1027   5.238   6.602  -8.686
  882   3HB   ALA1027          HB3       ALA1027   5.187   6.641  -6.924
  883    H    LEU1028           H        LEU1028   3.043   6.257  -5.469
  884    HA   LEU1028           HA       LEU1028   3.504   3.782  -4.131
  885   1HB   LEU1028          HB1       LEU1028   3.728   5.215  -2.455
  886   2HB   LEU1028          HB2       LEU1028   2.904   6.495  -3.302
  887    HG   LEU1028           HG       LEU1028   1.388   4.324  -1.857
  888   1HD1  LEU1028          1HD1      LEU1028   2.394   6.930  -0.730
  889   2HD1  LEU1028          2HD1      LEU1028   1.264   5.832   0.062
  890   3HD1  LEU1028          3HD1      LEU1028   2.919   5.313  -0.256
  891   1HD2  LEU1028          1HD2      LEU1028  -0.355   6.042  -1.732
  892   2HD2  LEU1028          2HD2      LEU1028   0.696   7.177  -2.579
  893   3HD2  LEU1028          3HD2      LEU1028   0.109   5.736  -3.406
  894    H    ALA1029           H        ALA1029   0.643   5.360  -5.418
  895    HA   ALA1029           HA       ALA1029  -1.299   3.564  -4.607
  896   1HB   ALA1029          HB1       ALA1029  -2.488   4.081  -6.687
  897   2HB   ALA1029          HB2       ALA1029  -1.808   5.534  -5.955
  898   3HB   ALA1029          HB3       ALA1029  -1.019   4.798  -7.350
  899    H    VAL1030           H        VAL1030   1.042   3.229  -7.269
  900    HA   VAL1030           HA       VAL1030   0.249   0.663  -8.076
  901    HB   VAL1030           HB       VAL1030   2.965   1.960  -8.314
  902   1HG1  VAL1030          1HG1      VAL1030   3.345   0.391 -10.159
  903   2HG1  VAL1030          2HG1      VAL1030   3.114  -0.448  -8.626
  904   3HG1  VAL1030          3HG1      VAL1030   1.804  -0.392  -9.806
  905   1HG2  VAL1030          1HG2      VAL1030   2.245   2.533 -10.591
  906   2HG2  VAL1030          2HG2      VAL1030   0.648   1.870 -10.244
  907   3HG2  VAL1030          3HG2      VAL1030   1.225   3.286  -9.365
  908    H    ASP1031           H        ASP1031   2.363   1.700  -5.444
  909    HA   ASP1031           HA       ASP1031   3.535  -0.895  -5.173
  910   1HB   ASP1031          HB1       ASP1031   4.681  -0.146  -3.276
  911   2HB   ASP1031          HB2       ASP1031   4.633   1.226  -4.360
  912    H    ALA1032           H        ALA1032   0.924   0.807  -3.481
  913    HA   ALA1032           HA       ALA1032   0.105  -1.324  -1.844
  914   1HB   ALA1032          HB1       ALA1032  -0.748   0.968  -1.630
  915   2HB   ALA1032          HB2       ALA1032  -1.589   0.798  -3.171
  916   3HB   ALA1032          HB3       ALA1032  -2.059  -0.201  -1.794
  917    H    LYS1033           H        LYS1033  -0.900  -0.382  -5.148
  918    HA   LYS1033           HA       LYS1033  -2.852  -2.341  -5.507
  919   1HB   LYS1033          HB1       LYS1033  -2.794  -0.418  -6.904
  920   2HB   LYS1033          HB2       LYS1033  -1.158  -0.767  -7.435
  921   1HG   LYS1033          HG1       LYS1033  -1.971  -2.720  -8.656
  922   2HG   LYS1033          HG2       LYS1033  -3.615  -2.374  -8.114
  923   1HD   LYS1033          HD1       LYS1033  -3.646  -0.303  -9.310
  924   2HD   LYS1033          HD2       LYS1033  -1.930  -0.438  -9.692
  925   1HE   LYS1033          HE1       LYS1033  -3.285  -1.014 -11.623
  926   2HE   LYS1033          HE2       LYS1033  -2.389  -2.418 -11.050
  927   1HZ   LYS1033          HZ1       LYS1033  -4.383  -3.228  -9.974
  928   2HZ   LYS1033          HZ2       LYS1033  -5.250  -1.857 -10.474
  929   3HZ   LYS1033          HZ3       LYS1033  -4.674  -2.962 -11.624
  930    H    ASN1034           H        ASN1034   0.616  -2.435  -6.223
  931    HA   ASN1034           HA       ASN1034   0.527  -4.870  -7.688
  932   1HB   ASN1034          HB1       ASN1034   2.388  -3.194  -7.789
  933   2HB   ASN1034          HB2       ASN1034   2.879  -3.710  -6.180
  934   1HD2  ASN1034          2HD2      ASN1034   3.866  -5.697  -5.916
  935   2HD2  ASN1034          1HD2      ASN1034   4.467  -6.618  -7.247
  936    H    LEU1035           H        LEU1035   1.221  -4.108  -4.340
  937    HA   LEU1035           HA       LEU1035   1.942  -6.796  -3.556
  938   1HB   LEU1035          HB1       LEU1035   2.802  -4.776  -2.417
  939   2HB   LEU1035          HB2       LEU1035   1.173  -4.328  -1.947
  940    HG   LEU1035           HG       LEU1035   2.663  -5.317  -0.159
  941   1HD1  LEU1035          1HD1      LEU1035   0.030  -6.663  -0.705
  942   2HD1  LEU1035          2HD1      LEU1035   0.883  -6.661   0.840
  943   3HD1  LEU1035          3HD1      LEU1035   0.280  -5.148   0.162
  944   1HD2  LEU1035          1HD2      LEU1035   2.854  -7.732  -0.073
  945   2HD2  LEU1035          2HD2      LEU1035   2.094  -7.858  -1.659
  946   3HD2  LEU1035          3HD2      LEU1035   3.666  -7.075  -1.494
  947    H    LEU1036           H        LEU1036  -0.926  -4.722  -3.514
  948    HA   LEU1036           HA       LEU1036  -2.775  -6.185  -2.136
  949   1HB   LEU1036          HB1       LEU1036  -3.326  -4.041  -3.018
  950   2HB   LEU1036          HB2       LEU1036  -3.035  -4.565  -4.660
  951    HG   LEU1036           HG       LEU1036  -5.230  -5.939  -3.198
  952   1HD1  LEU1036          1HD1      LEU1036  -5.515  -3.574  -2.561
  953   2HD1  LEU1036          2HD1      LEU1036  -5.469  -3.123  -4.265
  954   3HD1  LEU1036          3HD1      LEU1036  -6.787  -4.121  -3.653
  955   1HD2  LEU1036          1HD2      LEU1036  -6.271  -5.821  -5.406
  956   2HD2  LEU1036          2HD2      LEU1036  -4.938  -4.830  -5.994
  957   3HD2  LEU1036          3HD2      LEU1036  -4.649  -6.505  -5.519
  958    H    ASP1037           H        ASP1037  -1.716  -6.689  -5.440
  959    HA   ASP1037           HA       ASP1037  -3.584  -8.902  -5.786
  960   1HB   ASP1037          HB1       ASP1037  -3.387  -7.434  -7.689
  961   2HB   ASP1037          HB2       ASP1037  -1.634  -7.616  -7.705
  962    H    VAL1038           H        VAL1038  -0.127  -8.322  -5.704
  963    HA   VAL1038           HA       VAL1038   0.543 -11.044  -6.154
  964    HB   VAL1038           HB       VAL1038   2.419  -8.985  -4.962
  965   1HG1  VAL1038          1HG1      VAL1038   4.081 -10.306  -6.109
  966   2HG1  VAL1038          2HG1      VAL1038   3.072 -11.391  -5.150
  967   3HG1  VAL1038          3HG1      VAL1038   2.833 -11.281  -6.894
  968   1HG2  VAL1038          1HG2      VAL1038   1.700  -9.432  -7.877
  969   2HG2  VAL1038          2HG2      VAL1038   1.281  -8.010  -6.922
  970   3HG2  VAL1038          3HG2      VAL1038   2.972  -8.371  -7.271
  971    H    ILE1039           H        ILE1039   0.099  -9.212  -3.185
  972    HA   ILE1039           HA       ILE1039   0.726 -11.423  -1.425
  973    HB   ILE1039           HB       ILE1039   0.589  -8.783  -0.926
  974   1HG1  ILE1039          1HG1      ILE1039   0.009 -11.058   0.965
  975   2HG1  ILE1039          2HG1      ILE1039   1.561 -10.286   0.644
  976   1HG2  ILE1039          1HG2      ILE1039  -2.069  -9.820   0.038
  977   2HG2  ILE1039          2HG2      ILE1039  -1.382  -8.231   0.372
  978   3HG2  ILE1039          3HG2      ILE1039  -1.845  -8.661  -1.275
  979   1HD1  ILE1039          1HD1      ILE1039   0.560  -9.644   2.810
  980   2HD1  ILE1039          2HD1      ILE1039   0.841  -8.273   1.734
  981   3HD1  ILE1039          3HD1      ILE1039  -0.793  -8.922   1.930
  982    H    ASP1040           H        ASP1040  -2.282  -9.994  -2.758
  983    HA   ASP1040           HA       ASP1040  -4.074 -11.911  -1.912
  984   1HB   ASP1040          HB1       ASP1040  -4.769 -10.147  -3.449
  985   2HB   ASP1040          HB2       ASP1040  -3.741 -10.798  -4.717
  986    H    GLN1041           H        GLN1041  -1.540 -12.099  -4.308
  987    HA   GLN1041           HA       GLN1041  -1.939 -14.883  -4.831
  988   1HB   GLN1041          HB1       GLN1041   0.336 -13.037  -5.493
  989   2HB   GLN1041          HB2       GLN1041   0.342 -14.755  -5.874
  990   1HG   GLN1041          HG1       GLN1041  -1.538 -14.504  -7.332
  991   2HG   GLN1041          HG2       GLN1041  -1.756 -12.824  -6.841
  992   1HE2  GLN1041          2HE2      GLN1041  -0.434 -11.256  -7.674
  993   2HE2  GLN1041          1HE2      GLN1041   0.656 -11.539  -8.985
  994    H    ALA1042           H        ALA1042   0.101 -13.025  -2.498
  995    HA   ALA1042           HA       ALA1042   1.562 -15.056  -1.495
  996   1HB   ALA1042          HB1       ALA1042  -0.055 -13.138   0.167
  997   2HB   ALA1042          HB2       ALA1042   1.359 -14.046   0.705
  998   3HB   ALA1042          HB3       ALA1042   1.526 -12.805  -0.536
  999    H    ARG1043           H        ARG1043  -1.757 -14.320  -0.444
 1000    HA   ARG1043           HA       ARG1043  -2.117 -16.665   1.027
 1001   1HB   ARG1043          HB1       ARG1043  -3.628 -14.453   0.573
 1002   2HB   ARG1043          HB2       ARG1043  -4.545 -15.679  -0.297
 1003   1HG   ARG1043          HG1       ARG1043  -5.395 -15.543   1.925
 1004   2HG   ARG1043          HG2       ARG1043  -4.522 -17.068   1.761
 1005   1HD   ARG1043          HD1       ARG1043  -2.607 -16.139   2.905
 1006   2HD   ARG1043          HD2       ARG1043  -3.378 -14.553   2.955
 1007    HE   ARG1043           HE       ARG1043  -5.152 -16.156   4.247
 1008   1HH1  ARG1043          2HH1      ARG1043  -1.713 -15.581   4.700
 1009   2HH1  ARG1043          1HH1      ARG1043  -1.777 -15.819   6.422
 1010   1HH2  ARG1043          2HH2      ARG1043  -5.225 -16.459   6.500
 1011   2HH2  ARG1043          1HH2      ARG1043  -3.766 -16.315   7.434
 1012    H    LEU1044           H        LEU1044  -2.447 -16.127  -2.424
 1013    HA   LEU1044           HA       LEU1044  -3.600 -18.715  -2.948
 1014   1HB   LEU1044          HB1       LEU1044  -3.943 -16.786  -4.448
 1015   2HB   LEU1044          HB2       LEU1044  -2.235 -16.784  -4.826
 1016    HG   LEU1044           HG       LEU1044  -2.490 -19.052  -5.813
 1017   1HD1  LEU1044          1HD1      LEU1044  -4.451 -19.780  -4.567
 1018   2HD1  LEU1044          2HD1      LEU1044  -5.427 -18.546  -5.364
 1019   3HD1  LEU1044          3HD1      LEU1044  -4.741 -19.870  -6.305
 1020   1HD2  LEU1044          1HD2      LEU1044  -2.538 -17.065  -7.221
 1021   2HD2  LEU1044          2HD2      LEU1044  -3.636 -18.301  -7.841
 1022   3HD2  LEU1044          3HD2      LEU1044  -4.277 -16.913  -6.961
 1023    H    LYS1045           H        LYS1045  -0.439 -17.375  -2.623
 1024    HA   LYS1045           HA       LYS1045   1.170 -19.367  -3.763
 1025   1HB   LYS1045          HB1       LYS1045   1.456 -17.101  -1.955
 1026   2HB   LYS1045          HB2       LYS1045   2.508 -18.428  -1.494
 1027   1HG   LYS1045          HG1       LYS1045   3.526 -16.723  -2.981
 1028   2HG   LYS1045          HG2       LYS1045   3.626 -18.383  -3.564
 1029   1HD   LYS1045          HD1       LYS1045   1.624 -17.922  -4.990
 1030   2HD   LYS1045          HD2       LYS1045   1.731 -16.230  -4.499
 1031   1HE   LYS1045          HE1       LYS1045   2.807 -16.526  -6.638
 1032   2HE   LYS1045          HE2       LYS1045   4.015 -16.136  -5.415
 1033   1HZ   LYS1045          HZ1       LYS1045   4.510 -18.535  -5.259
 1034   2HZ   LYS1045          HZ2       LYS1045   3.421 -18.828  -6.526
 1035   3HZ   LYS1045          HZ3       LYS1045   4.816 -17.905  -6.806
 1036    H    MET1046           H        MET1046  -0.374 -19.018  -0.668
 1037    HA   MET1046           HA       MET1046   0.737 -21.365   0.516
 1038   1HB   MET1046          HB1       MET1046  -0.293 -19.507   1.803
 1039   2HB   MET1046          HB2       MET1046  -1.858 -19.962   1.158
 1040   1HG   MET1046          HG1       MET1046  -0.186 -21.912   2.678
 1041   2HG   MET1046          HG2       MET1046  -1.199 -20.739   3.517
 1042   1HE   MET1046          HE1       MET1046  -2.444 -22.778   4.749
 1043   2HE   MET1046          HE2       MET1046  -3.164 -24.135   3.883
 1044   3HE   MET1046          HE3       MET1046  -1.414 -23.913   3.879
 1045    H    ILE1047           H        ILE1047  -2.253 -20.649  -1.212
 1046    HA   ILE1047           HA       ILE1047  -3.374 -23.216  -1.228
 1047    HB   ILE1047           HB       ILE1047  -3.539 -21.088  -3.368
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.237 -20.265  -1.187
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.630 -20.436  -2.251
 1050   1HG2  ILE1047          1HG2      ILE1047  -4.261 -23.252  -4.207
 1051   2HG2  ILE1047          2HG2      ILE1047  -5.344 -23.440  -2.828
 1052   3HG2  ILE1047          3HG2      ILE1047  -5.639 -22.169  -4.013
 1053   1HD1  ILE1047          1HD1      ILE1047  -6.210 -22.535  -1.137
 1054   2HD1  ILE1047          2HD1      ILE1047  -4.821 -22.345  -0.067
 1055   3HD1  ILE1047          3HD1      ILE1047  -6.150 -21.186  -0.005
 1056    H    SER1048           H        SER1048  -0.868 -21.720  -3.108
 1057    HA   SER1048           HA       SER1048  -0.604 -23.629  -5.152
 1058   1HB   SER1048          HB1       SER1048   1.417 -21.730  -3.927
 1059   2HB   SER1048          HB2       SER1048   1.667 -22.628  -5.429
 1060    HG   SER1048           HG       SER1048  -0.537 -20.884  -5.010
 1061    H    GLN1049           H        GLN1049   0.527 -23.550  -1.846
 1062    HA   GLN1049           HA       GLN1049   2.327 -25.785  -2.199
 1063   1HB   GLN1049          HB1       GLN1049   2.701 -23.959  -0.523
 1064   2HB   GLN1049          HB2       GLN1049   1.312 -24.558   0.372
 1065   1HG   GLN1049          HG1       GLN1049   2.436 -26.678   0.737
 1066   2HG   GLN1049          HG2       GLN1049   3.819 -26.124  -0.207
 1067   1HE2  GLN1049          2HE2      GLN1049   2.091 -25.866   2.789
 1068   2HE2  GLN1049          1HE2      GLN1049   3.318 -24.995   3.658
 1069    H    SER1050           H        SER1050  -0.966 -25.236  -1.166
 1070    HA   SER1050           HA       SER1050  -1.345 -27.923  -0.172
 1071   1HB   SER1050          HB1       SER1050  -2.562 -26.056   0.849
 1072   2HB   SER1050          HB2       SER1050  -3.320 -25.682  -0.694
 1073    HG   SER1050           HG       SER1050  -4.162 -27.360   1.174
 1074    H    ARG1051           H        ARG1051  -1.430 -26.380  -3.180
 1075    HA   ARG1051           HA       ARG1051  -3.554 -27.570  -4.505
 1076   1HB   ARG1051          HB1       ARG1051  -2.202 -25.656  -5.327
 1077   2HB   ARG1051          HB2       ARG1051  -0.902 -26.775  -5.708
 1078   1HG   ARG1051          HG1       ARG1051  -2.360 -27.922  -7.305
 1079   2HG   ARG1051          HG2       ARG1051  -3.656 -26.787  -6.926
 1080   1HD   ARG1051          HD1       ARG1051  -2.196 -24.935  -7.670
 1081   2HD   ARG1051          HD2       ARG1051  -0.979 -26.120  -8.139
 1082    HE   ARG1051           HE       ARG1051  -3.589 -26.503  -9.338
 1083   1HH1  ARG1051          2HH1      ARG1051  -0.392 -25.117  -9.656
 1084   2HH1  ARG1051          1HH1      ARG1051  -0.539 -24.832 -11.370
 1085   1HH2  ARG1051          2HH2      ARG1051  -3.778 -26.188 -11.579
 1086   2HH2  ARG1051          1HH2      ARG1051  -2.466 -25.480 -12.478
 1087    HA   PRO1052           HA       PRO1052  -0.851 -31.123  -6.072
 1088   1HB   PRO1052          HB1       PRO1052   1.790 -31.177  -4.994
 1089   2HB   PRO1052          HB2       PRO1052   1.302 -30.783  -6.642
 1090   1HG   PRO1052          HG1       PRO1052   2.417 -28.994  -4.844
 1091   2HG   PRO1052          HG2       PRO1052   1.472 -28.546  -6.274
 1092   1HD   PRO1052          HD1       PRO1052   0.620 -28.712  -3.412
 1093   2HD   PRO1052          HD2       PRO1052   0.161 -27.534  -4.662
 1094    H    HIS1053           H        HIS1053  -1.637 -30.607  -3.024
 1095    HA   HIS1053           HA       HIS1053  -0.428 -33.043  -1.922
 1096   1HB   HIS1053          HB1       HIS1053  -0.291 -30.931  -0.598
 1097   2HB   HIS1053          HB2       HIS1053  -2.047 -30.925  -0.490
 1098    HD1  HIS1053           HD1      HIS1053   0.858 -33.188   0.465
 1099    HD2  HIS1053           HD2      HIS1053  -3.004 -32.236   1.691
 1100    HE1  HIS1053           HE1      HIS1053   0.500 -34.438   2.615
 1101    HE2  HIS1053           HE2      HIS1053  -1.734 -33.645   3.457
  Start of MODEL    4
    1   1H    ARG 920           H        ARG 920  -7.939 -20.703  -2.789
    2    HA   ARG 920           HA       ARG 920  -7.726 -18.446  -1.229
    3   1HB   ARG 920          HB1       ARG 920  -6.083 -18.919  -2.827
    4   2HB   ARG 920          HB2       ARG 920  -7.256 -18.863  -4.141
    5   1HG   ARG 920          HG1       ARG 920  -7.591 -16.415  -3.544
    6   2HG   ARG 920          HG2       ARG 920  -6.137 -16.585  -2.546
    7   1HD   ARG 920          HD1       ARG 920  -4.795 -17.055  -4.323
    8   2HD   ARG 920          HD2       ARG 920  -6.137 -17.598  -5.314
    9    HE   ARG 920           HE       ARG 920  -5.809 -14.736  -4.668
   10   1HH1  ARG 920          2HH1      ARG 920  -6.143 -17.336  -6.999
   11   2HH1  ARG 920          1HH1      ARG 920  -6.128 -16.284  -8.377
   12   1HH2  ARG 920          2HH2      ARG 920  -5.822 -13.339  -6.474
   13   2HH2  ARG 920          1HH2      ARG 920  -5.960 -14.007  -8.081
   14    H    SER 921           H        SER 921  -9.399 -17.225  -0.605
   15    HA   SER 921           HA       SER 921 -11.227 -16.194  -2.674
   16   1HB   SER 921          HB1       SER 921 -12.054 -17.490  -0.551
   17   2HB   SER 921          HB2       SER 921 -11.721 -15.978   0.288
   18    HG   SER 921           HG       SER 921 -13.281 -14.973  -0.869
   19    H    ASN 922           H        ASN 922  -8.540 -15.313  -2.178
   20    HA   ASN 922           HA       ASN 922  -7.191 -13.561  -1.637
   21   1HB   ASN 922          HB1       ASN 922  -9.159 -11.460  -1.988
   22   2HB   ASN 922          HB2       ASN 922  -7.677 -11.764  -2.878
   23   1HD2  ASN 922          2HD2      ASN 922  -7.710 -13.349  -4.533
   24   2HD2  ASN 922          1HD2      ASN 922  -9.162 -13.605  -5.464
   25    H    ASP 923           H        ASP 923  -7.668 -14.496   0.501
   26    HA   ASP 923           HA       ASP 923  -9.304 -13.569   2.466
   27   1HB   ASP 923          HB1       ASP 923  -7.498 -15.459   2.388
   28   2HB   ASP 923          HB2       ASP 923  -6.448 -14.234   3.085
   29    H    LYS 924           H        LYS 924  -8.017 -12.618   4.565
   30    HA   LYS 924           HA       LYS 924  -8.275  -9.929   4.588
   31   1HB   LYS 924          HB1       LYS 924  -7.648 -11.659   6.458
   32   2HB   LYS 924          HB2       LYS 924  -6.009 -11.110   6.153
   33   1HG   LYS 924          HG1       LYS 924  -8.180  -9.137   6.730
   34   2HG   LYS 924          HG2       LYS 924  -7.400 -10.020   8.039
   35   1HD   LYS 924          HD1       LYS 924  -5.228  -9.149   7.346
   36   2HD   LYS 924          HD2       LYS 924  -5.986  -8.299   6.000
   37   1HE   LYS 924          HE1       LYS 924  -5.563  -6.788   7.861
   38   2HE   LYS 924          HE2       LYS 924  -7.292  -6.959   7.566
   39   1HZ   LYS 924          HZ1       LYS 924  -6.719  -7.020   9.933
   40   2HZ   LYS 924          HZ2       LYS 924  -7.454  -8.460   9.425
   41   3HZ   LYS 924          HZ3       LYS 924  -5.775  -8.408   9.678
   42    H    VAL 925           H        VAL 925  -5.588 -11.635   3.238
   43    HA   VAL 925           HA       VAL 925  -3.682  -9.611   3.055
   44    HB   VAL 925           HB       VAL 925  -2.881 -10.891   1.020
   45   1HG1  VAL 925          1HG1      VAL 925  -2.162 -12.828   2.364
   46   2HG1  VAL 925          2HG1      VAL 925  -2.021 -11.322   3.271
   47   3HG1  VAL 925          3HG1      VAL 925  -3.364 -12.422   3.589
   48   1HG2  VAL 925          1HG2      VAL 925  -5.025 -11.781   0.297
   49   2HG2  VAL 925          2HG2      VAL 925  -3.909 -13.099   0.657
   50   3HG2  VAL 925          3HG2      VAL 925  -5.185 -12.685   1.804
   51    H    TYR 926           H        TYR 926  -6.306 -10.500   0.689
   52    HA   TYR 926           HA       TYR 926  -5.434  -8.360  -1.054
   53   1HB   TYR 926          HB1       TYR 926  -6.463 -10.233  -2.114
   54   2HB   TYR 926          HB2       TYR 926  -7.857 -10.160  -1.042
   55    HD1  TYR 926           HD1      TYR 926  -6.160  -8.487  -3.863
   56    HD2  TYR 926           HD2      TYR 926  -9.708  -8.747  -1.523
   57    HE1  TYR 926           HE1      TYR 926  -7.335  -7.085  -5.506
   58    HE2  TYR 926           HE2      TYR 926 -10.896  -7.345  -3.165
   59    HH   TYR 926           HH       TYR 926  -9.646  -6.674  -6.242
   60    H    GLU 927           H        GLU 927  -7.897  -8.948   1.320
   61    HA   GLU 927           HA       GLU 927  -9.564  -6.768   0.837
   62   1HB   GLU 927          HB1       GLU 927  -9.600  -8.936   2.483
   63   2HB   GLU 927          HB2       GLU 927  -9.306  -7.642   3.634
   64   1HG   GLU 927          HG1       GLU 927 -11.288  -6.459   2.643
   65   2HG   GLU 927          HG2       GLU 927 -11.629  -7.945   1.763
   66    H    ASN 928           H        ASN 928  -6.837  -7.137   3.081
   67    HA   ASN 928           HA       ASN 928  -7.267  -4.603   4.300
   68   1HB   ASN 928          HB1       ASN 928  -6.132  -6.594   5.366
   69   2HB   ASN 928          HB2       ASN 928  -4.717  -6.199   4.393
   70   1HD2  ASN 928          2HD2      ASN 928  -6.879  -3.811   5.749
   71   2HD2  ASN 928          1HD2      ASN 928  -5.741  -3.158   6.874
   72    H    VAL 929           H        VAL 929  -4.878  -5.768   1.907
   73    HA   VAL 929           HA       VAL 929  -3.568  -3.303   1.675
   74    HB   VAL 929           HB       VAL 929  -3.780  -5.432  -0.459
   75   1HG1  VAL 929          1HG1      VAL 929  -3.007  -3.279  -1.333
   76   2HG1  VAL 929          2HG1      VAL 929  -1.799  -3.183  -0.051
   77   3HG1  VAL 929          3HG1      VAL 929  -1.683  -4.443  -1.280
   78   1HG2  VAL 929          1HG2      VAL 929  -1.638  -6.193   0.439
   79   2HG2  VAL 929          2HG2      VAL 929  -1.737  -4.976   1.713
   80   3HG2  VAL 929          3HG2      VAL 929  -2.914  -6.288   1.653
   81    H    THR 930           H        THR 930  -6.478  -4.480   0.081
   82    HA   THR 930           HA       THR 930  -6.873  -2.284  -1.638
   83    HB   THR 930           HB       THR 930  -9.004  -3.790  -0.091
   84    HG1  THR 930           HG1      THR 930  -7.834  -5.273  -1.305
   85   1HG2  THR 930          1HG2      THR 930  -9.160  -2.244  -2.679
   86   2HG2  THR 930          2HG2      THR 930 -10.480  -3.145  -1.933
   87   3HG2  THR 930          3HG2      THR 930  -9.816  -1.723  -1.127
   88    H    GLY 931           H        GLY 931  -7.347  -2.798   1.756
   89   1HA   GLY 931          HA1       GLY 931  -8.559  -0.423   2.550
   90   2HA   GLY 931          HA2       GLY 931  -7.452  -1.362   3.538
   91    H    LEU 932           H        LEU 932  -5.094  -0.991   1.771
   92    HA   LEU 932           HA       LEU 932  -4.205   1.515   2.735
   93   1HB   LEU 932          HB1       LEU 932  -2.736  -0.424   1.949
   94   2HB   LEU 932          HB2       LEU 932  -3.079   0.105   0.309
   95    HG   LEU 932           HG       LEU 932  -1.764   1.886   2.378
   96   1HD1  LEU 932          1HD1      LEU 932  -0.459   0.177   0.268
   97   2HD1  LEU 932          2HD1      LEU 932   0.353   1.406   1.240
   98   3HD1  LEU 932          3HD1      LEU 932  -0.329  -0.023   2.017
   99   1HD2  LEU 932          1HD2      LEU 932  -2.798   3.075   0.500
  100   2HD2  LEU 932          2HD2      LEU 932  -1.039   3.194   0.448
  101   3HD2  LEU 932          3HD2      LEU 932  -1.880   2.083  -0.633
  102    H    VAL 933           H        VAL 933  -5.454   0.456  -0.399
  103    HA   VAL 933           HA       VAL 933  -5.352   2.879  -1.768
  104    HB   VAL 933           HB       VAL 933  -7.566   0.829  -1.973
  105   1HG1  VAL 933          1HG1      VAL 933  -6.537   2.836  -3.977
  106   2HG1  VAL 933          2HG1      VAL 933  -7.811   1.649  -4.258
  107   3HG1  VAL 933          3HG1      VAL 933  -8.057   2.947  -3.090
  108   1HG2  VAL 933          1HG2      VAL 933  -4.909   0.936  -3.402
  109   2HG2  VAL 933          2HG2      VAL 933  -5.406  -0.260  -2.204
  110   3HG2  VAL 933          3HG2      VAL 933  -6.222  -0.183  -3.766
  111    H    LYS 934           H        LYS 934  -7.865   1.610   0.375
  112    HA   LYS 934           HA       LYS 934  -9.669   3.739   0.192
  113   1HB   LYS 934          HB1       LYS 934  -9.190   2.106   2.682
  114   2HB   LYS 934          HB2       LYS 934 -10.674   2.910   2.201
  115   1HG   LYS 934          HG1       LYS 934  -9.436   0.577   0.756
  116   2HG   LYS 934          HG2       LYS 934 -10.733   0.456   1.941
  117   1HD   LYS 934          HD1       LYS 934 -11.960   0.464   0.014
  118   2HD   LYS 934          HD2       LYS 934 -11.896   2.197   0.329
  119   1HE   LYS 934          HE1       LYS 934 -10.077   2.457  -1.233
  120   2HE   LYS 934          HE2       LYS 934  -9.983   0.712  -1.470
  121   1HZ   LYS 934          HZ1       LYS 934 -12.240   0.778  -2.390
  122   2HZ   LYS 934          HZ2       LYS 934 -12.266   2.467  -2.224
  123   3HZ   LYS 934          HZ3       LYS 934 -11.165   1.738  -3.287
  124    H    ALA 935           H        ALA 935  -6.835   3.272   2.234
  125    HA   ALA 935           HA       ALA 935  -7.369   5.627   3.791
  126   1HB   ALA 935          HB1       ALA 935  -4.926   3.882   3.713
  127   2HB   ALA 935          HB2       ALA 935  -5.262   5.142   4.901
  128   3HB   ALA 935          HB3       ALA 935  -6.294   3.714   4.812
  129    H    VAL 936           H        VAL 936  -5.431   4.884   0.941
  130    HA   VAL 936           HA       VAL 936  -4.273   7.514   0.996
  131    HB   VAL 936           HB       VAL 936  -3.068   5.688  -0.139
  132   1HG1  VAL 936          1HG1      VAL 936  -3.775   4.913  -2.341
  133   2HG1  VAL 936          2HG1      VAL 936  -4.976   4.517  -1.112
  134   3HG1  VAL 936          3HG1      VAL 936  -5.255   5.866  -2.211
  135   1HG2  VAL 936          1HG2      VAL 936  -3.832   7.984  -1.939
  136   2HG2  VAL 936          2HG2      VAL 936  -2.552   7.978  -0.726
  137   3HG2  VAL 936          3HG2      VAL 936  -2.423   6.942  -2.148
  138    H    ILE 937           H        ILE 937  -7.226   6.110   0.024
  139    HA   ILE 937           HA       ILE 937  -8.189   8.314  -1.497
  140    HB   ILE 937           HB       ILE 937  -9.615   6.175   0.085
  141   1HG1  ILE 937          1HG1      ILE 937  -8.585   5.418  -1.977
  142   2HG1  ILE 937          2HG1      ILE 937 -10.336   5.428  -2.161
  143   1HG2  ILE 937          1HG2      ILE 937 -11.725   6.963  -0.860
  144   2HG2  ILE 937          2HG2      ILE 937 -10.991   8.180   0.185
  145   3HG2  ILE 937          3HG2      ILE 937 -10.892   8.348  -1.568
  146   1HD1  ILE 937          1HD1      ILE 937  -8.438   7.520  -3.204
  147   2HD1  ILE 937          2HD1      ILE 937  -9.230   6.262  -4.153
  148   3HD1  ILE 937          3HD1      ILE 937 -10.193   7.528  -3.392
  149    H    GLU 938           H        GLU 938  -8.132   7.479   1.934
  150    HA   GLU 938           HA       GLU 938  -9.325   9.697   3.061
  151   1HB   GLU 938          HB1       GLU 938  -6.775   8.345   3.975
  152   2HB   GLU 938          HB2       GLU 938  -7.709   9.477   4.941
  153   1HG   GLU 938          HG1       GLU 938  -8.708   6.829   3.919
  154   2HG   GLU 938          HG2       GLU 938  -8.131   7.147   5.554
  155    H    MET 939           H        MET 939  -6.050   9.387   1.752
  156    HA   MET 939           HA       MET 939  -5.035  11.879   2.445
  157   1HB   MET 939          HB1       MET 939  -3.657  10.098   1.498
  158   2HB   MET 939          HB2       MET 939  -4.498  10.241  -0.040
  159   1HG   MET 939          HG1       MET 939  -3.679  12.677  -0.016
  160   2HG   MET 939          HG2       MET 939  -2.554  12.131   1.226
  161   1HE   MET 939          HE1       MET 939  -3.669  11.908  -2.490
  162   2HE   MET 939          HE2       MET 939  -2.673  10.596  -3.118
  163   3HE   MET 939          HE3       MET 939  -3.951  10.252  -1.952
  164    H    SER 940           H        SER 940  -6.845  10.946  -0.485
  165    HA   SER 940           HA       SER 940  -6.652  13.558  -1.614
  166   1HB   SER 940          HB1       SER 940  -8.528  12.590  -3.139
  167   2HB   SER 940          HB2       SER 940  -6.910  11.896  -3.225
  168    HG   SER 940           HG       SER 940  -9.275  10.793  -2.294
  169    H    SER 941           H        SER 941  -8.817  12.037   0.628
  170    HA   SER 941           HA       SER 941 -10.958  13.943   0.168
  171   1HB   SER 941          HB1       SER 941 -10.585  11.974   2.448
  172   2HB   SER 941          HB2       SER 941 -12.073  12.825   2.029
  173    HG   SER 941           HG       SER 941 -10.746  10.772   0.601
  174    H    LYS 942           H        LYS 942  -8.483  13.206   2.477
  175    HA   LYS 942           HA       LYS 942  -8.784  15.188   4.356
  176   1HB   LYS 942          HB1       LYS 942  -6.758  13.317   3.488
  177   2HB   LYS 942          HB2       LYS 942  -6.027  14.835   3.986
  178   1HG   LYS 942          HG1       LYS 942  -8.033  13.436   5.712
  179   2HG   LYS 942          HG2       LYS 942  -6.317  13.007   5.738
  180   1HD   LYS 942          HD1       LYS 942  -5.691  15.201   6.373
  181   2HD   LYS 942          HD2       LYS 942  -7.324  15.813   6.083
  182   1HE   LYS 942          HE1       LYS 942  -6.870  15.547   8.480
  183   2HE   LYS 942          HE2       LYS 942  -8.170  14.486   7.946
  184   1HZ   LYS 942          HZ1       LYS 942  -6.756  12.615   8.044
  185   2HZ   LYS 942          HZ2       LYS 942  -5.366  13.566   8.211
  186   3HZ   LYS 942          HZ3       LYS 942  -6.481  13.476   9.480
  187    H    ILE 943           H        ILE 943  -6.884  15.286   1.332
  188    HA   ILE 943           HA       ILE 943  -5.856  17.869   1.802
  189    HB   ILE 943           HB       ILE 943  -4.812  16.280   0.215
  190   1HG1  ILE 943          1HG1      ILE 943  -5.603  18.917  -1.049
  191   2HG1  ILE 943          2HG1      ILE 943  -4.308  18.700   0.122
  192   1HG2  ILE 943          1HG2      ILE 943  -7.153  16.958  -1.560
  193   2HG2  ILE 943          2HG2      ILE 943  -5.713  16.071  -2.063
  194   3HG2  ILE 943          3HG2      ILE 943  -6.792  15.384  -0.849
  195   1HD1  ILE 943          1HD1      ILE 943  -3.415  18.857  -2.115
  196   2HD1  ILE 943          2HD1      ILE 943  -3.141  17.240  -1.464
  197   3HD1  ILE 943          3HD1      ILE 943  -4.428  17.511  -2.639
  198    H    GLN 944           H        GLN 944  -8.865  16.772   0.381
  199    HA   GLN 944           HA       GLN 944  -9.626  18.953  -1.107
  200   1HB   GLN 944          HB1       GLN 944 -11.333  17.198   0.651
  201   2HB   GLN 944          HB2       GLN 944 -11.990  18.381  -0.472
  202   1HG   GLN 944          HG1       GLN 944 -11.153  17.213  -2.344
  203   2HG   GLN 944          HG2       GLN 944 -10.139  16.181  -1.335
  204   1HE2  GLN 944          2HE2      GLN 944 -11.013  14.304  -2.128
  205   2HE2  GLN 944          1HE2      GLN 944 -12.609  13.765  -1.710
  206    HA   PRO 945           HA       PRO 945 -10.997  21.547   2.508
  207   1HB   PRO 945          HB1       PRO 945 -11.736  20.591   4.870
  208   2HB   PRO 945          HB2       PRO 945 -12.728  20.314   3.434
  209   1HG   PRO 945          HG1       PRO 945 -10.954  18.436   4.897
  210   2HG   PRO 945          HG2       PRO 945 -12.434  18.105   3.983
  211   1HD   PRO 945          HD1       PRO 945  -9.733  17.834   3.094
  212   2HD   PRO 945          HD2       PRO 945 -11.214  17.592   2.149
  213    H    ALA 946           H        ALA 946  -8.189  20.052   2.622
  214    HA   ALA 946           HA       ALA 946  -7.382  20.907   5.307
  215   1HB   ALA 946          HB1       ALA 946  -6.876  18.610   4.687
  216   2HB   ALA 946          HB2       ALA 946  -5.915  19.184   3.324
  217   3HB   ALA 946          HB3       ALA 946  -5.403  19.534   4.974
  218    HA   PRO 947           HA       PRO 947  -4.486  23.933   3.609
  219   1HB   PRO 947          HB1       PRO 947  -3.331  24.616   5.916
  220   2HB   PRO 947          HB2       PRO 947  -5.004  25.087   5.586
  221   1HG   PRO 947          HG1       PRO 947  -3.960  22.854   7.279
  222   2HG   PRO 947          HG2       PRO 947  -5.301  23.967   7.598
  223   1HD   PRO 947          HD1       PRO 947  -5.577  21.401   6.608
  224   2HD   PRO 947          HD2       PRO 947  -6.781  22.690   6.431
  225    HA   PRO 948           HA       PRO 948  -0.494  21.895   3.246
  226   1HB   PRO 948          HB1       PRO 948   1.211  23.452   4.829
  227   2HB   PRO 948          HB2       PRO 948   0.885  23.680   3.108
  228   1HG   PRO 948          HG1       PRO 948  -0.311  25.065   5.467
  229   2HG   PRO 948          HG2       PRO 948   0.099  25.716   3.869
  230   1HD   PRO 948          HD1       PRO 948  -2.431  25.199   4.521
  231   2HD   PRO 948          HD2       PRO 948  -1.826  24.846   2.885
  232    H    GLU 949           H        GLU 949  -1.312  22.922   6.495
  233    HA   GLU 949           HA       GLU 949   0.368  21.325   7.984
  234   1HB   GLU 949          HB1       GLU 949  -2.449  22.223   8.552
  235   2HB   GLU 949          HB2       GLU 949  -1.436  21.411   9.738
  236   1HG   GLU 949          HG1       GLU 949   0.247  23.306   9.234
  237   2HG   GLU 949          HG2       GLU 949  -1.158  24.139   8.566
  238    H    GLU 950           H        GLU 950  -2.725  20.496   6.463
  239    HA   GLU 950           HA       GLU 950  -2.481  17.800   7.548
  240   1HB   GLU 950          HB1       GLU 950  -4.735  19.280   6.277
  241   2HB   GLU 950          HB2       GLU 950  -4.725  17.519   6.262
  242   1HG   GLU 950          HG1       GLU 950  -6.017  18.266   8.124
  243   2HG   GLU 950          HG2       GLU 950  -4.530  17.537   8.724
  244    H    TYR 951           H        TYR 951  -1.301  19.339   4.896
  245    HA   TYR 951           HA       TYR 951  -1.732  17.348   2.916
  246   1HB   TYR 951          HB1       TYR 951   0.585  19.261   3.293
  247   2HB   TYR 951          HB2       TYR 951   0.429  18.178   1.913
  248    HD1  TYR 951           HD1      TYR 951   0.708  21.072   1.581
  249    HD2  TYR 951           HD2      TYR 951  -2.785  18.718   2.141
  250    HE1  TYR 951           HE1      TYR 951  -0.615  22.788   0.436
  251    HE2  TYR 951           HE2      TYR 951  -4.128  20.421   0.991
  252    HH   TYR 951           HH       TYR 951  -4.071  22.749   0.440
  253    H    VAL 952           H        VAL 952   0.632  17.801   5.495
  254    HA   VAL 952           HA       VAL 952   1.914  15.332   4.885
  255    HB   VAL 952           HB       VAL 952   3.442  16.504   6.026
  256   1HG1  VAL 952          1HG1      VAL 952   1.302  17.617   7.830
  257   2HG1  VAL 952          2HG1      VAL 952   3.022  17.976   7.964
  258   3HG1  VAL 952          3HG1      VAL 952   2.133  18.451   6.518
  259   1HG2  VAL 952          1HG2      VAL 952   2.046  15.104   8.304
  260   2HG2  VAL 952          2HG2      VAL 952   3.279  14.426   7.240
  261   3HG2  VAL 952          3HG2      VAL 952   3.694  15.730   8.352
  262    HA   PRO 953           HA       PRO 953  -0.916  13.458   8.543
  263   1HB   PRO 953          HB1       PRO 953  -3.125  15.376   7.958
  264   2HB   PRO 953          HB2       PRO 953  -2.785  14.477   9.447
  265   1HG   PRO 953          HG1       PRO 953  -2.104  17.015   9.288
  266   2HG   PRO 953          HG2       PRO 953  -0.983  15.844  10.007
  267   1HD   PRO 953          HD1       PRO 953  -0.894  17.152   7.332
  268   2HD   PRO 953          HD2       PRO 953   0.437  16.691   8.408
  269    H    MET 954           H        MET 954  -2.143  14.856   5.475
  270    HA   MET 954           HA       MET 954  -4.133  12.867   5.134
  271   1HB   MET 954          HB1       MET 954  -4.426  13.649   2.912
  272   2HB   MET 954          HB2       MET 954  -4.069  15.059   3.896
  273   1HG   MET 954          HG1       MET 954  -1.768  15.030   3.100
  274   2HG   MET 954          HG2       MET 954  -2.128  13.608   2.122
  275   1HE   MET 954          HE1       MET 954  -1.266  14.696  -0.059
  276   2HE   MET 954          HE2       MET 954  -1.734  16.301  -0.620
  277   3HE   MET 954          HE3       MET 954  -0.792  16.124   0.860
  278    H    VAL 955           H        VAL 955  -0.835  13.155   3.801
  279    HA   VAL 955           HA       VAL 955  -0.838  10.521   2.734
  280    HB   VAL 955           HB       VAL 955   1.543  12.213   3.529
  281   1HG1  VAL 955          1HG1      VAL 955   1.334   9.741   1.815
  282   2HG1  VAL 955          2HG1      VAL 955   2.775  10.741   1.990
  283   3HG1  VAL 955          3HG1      VAL 955   2.134   9.867   3.381
  284   1HG2  VAL 955          1HG2      VAL 955   0.102  13.265   1.838
  285   2HG2  VAL 955          2HG2      VAL 955   1.644  12.758   1.148
  286   3HG2  VAL 955          3HG2      VAL 955   0.189  11.803   0.857
  287    H    LYS 956           H        LYS 956  -0.361  11.807   5.908
  288    HA   LYS 956           HA       LYS 956   0.944   9.606   7.119
  289   1HB   LYS 956          HB1       LYS 956   0.630  11.783   8.239
  290   2HB   LYS 956          HB2       LYS 956  -1.104  11.492   8.295
  291   1HG   LYS 956          HG1       LYS 956  -0.801   9.653   9.807
  292   2HG   LYS 956          HG2       LYS 956   0.956   9.786   9.676
  293   1HD   LYS 956          HD1       LYS 956   0.911  11.962  10.710
  294   2HD   LYS 956          HD2       LYS 956  -0.853  11.964  10.715
  295   1HE   LYS 956          HE1       LYS 956   0.819   9.925  12.168
  296   2HE   LYS 956          HE2       LYS 956   0.216  11.405  12.912
  297   1HZ   LYS 956          HZ1       LYS 956  -1.111   9.179  13.068
  298   2HZ   LYS 956          HZ2       LYS 956  -1.922  10.658  12.894
  299   3HZ   LYS 956          HZ3       LYS 956  -1.698   9.647  11.549
  300    H    GLU 957           H        GLU 957  -2.453  10.342   6.526
  301    HA   GLU 957           HA       GLU 957  -3.686   8.097   7.535
  302   1HB   GLU 957          HB1       GLU 957  -4.397   9.257   4.825
  303   2HB   GLU 957          HB2       GLU 957  -5.472   8.465   5.966
  304   1HG   GLU 957          HG1       GLU 957  -4.115  11.111   6.419
  305   2HG   GLU 957          HG2       GLU 957  -5.774  10.901   5.866
  306    H    VAL 958           H        VAL 958  -2.116   8.505   4.387
  307    HA   VAL 958           HA       VAL 958  -2.440   5.868   3.445
  308    HB   VAL 958           HB       VAL 958  -0.054   7.553   2.752
  309   1HG1  VAL 958          1HG1      VAL 958  -0.190   5.388   1.719
  310   2HG1  VAL 958          2HG1      VAL 958  -1.828   5.725   1.160
  311   3HG1  VAL 958          3HG1      VAL 958  -0.469   6.649   0.518
  312   1HG2  VAL 958          1HG2      VAL 958  -2.897   8.048   1.915
  313   2HG2  VAL 958          2HG2      VAL 958  -1.806   9.158   2.738
  314   3HG2  VAL 958          3HG2      VAL 958  -1.497   8.699   1.064
  315    H    GLY 959           H        GLY 959  -0.128   7.296   5.660
  316   1HA   GLY 959          HA1       GLY 959   1.836   5.232   5.456
  317   2HA   GLY 959          HA2       GLY 959   1.719   6.423   6.741
  318    H    LEU 960           H        LEU 960  -0.706   5.879   7.857
  319    HA   LEU 960           HA       LEU 960  -0.386   3.495   9.299
  320   1HB   LEU 960          HB1       LEU 960  -2.710   5.337   8.868
  321   2HB   LEU 960          HB2       LEU 960  -2.948   3.819   9.709
  322    HG   LEU 960           HG       LEU 960  -2.640   5.602  11.311
  323   1HD1  LEU 960          1HD1      LEU 960  -1.764   3.404  11.886
  324   2HD1  LEU 960          2HD1      LEU 960  -0.207   3.830  11.172
  325   3HD1  LEU 960          3HD1      LEU 960  -0.787   4.687  12.600
  326   1HD2  LEU 960          1HD2      LEU 960  -0.534   6.843  11.464
  327   2HD2  LEU 960          2HD2      LEU 960   0.019   6.079   9.973
  328   3HD2  LEU 960          3HD2      LEU 960  -1.373   7.162   9.945
  329    H    ALA 961           H        ALA 961  -2.029   4.187   6.321
  330    HA   ALA 961           HA       ALA 961  -3.498   1.874   5.929
  331   1HB   ALA 961          HB1       ALA 961  -3.252   2.270   3.537
  332   2HB   ALA 961          HB2       ALA 961  -3.574   3.771   4.404
  333   3HB   ALA 961          HB3       ALA 961  -1.940   3.404   3.856
  334    H    LEU 962           H        LEU 962  -0.125   2.449   4.800
  335    HA   LEU 962           HA       LEU 962   0.261  -0.247   4.086
  336   1HB   LEU 962          HB1       LEU 962   1.636   1.463   3.117
  337   2HB   LEU 962          HB2       LEU 962   2.256   1.923   4.701
  338    HG   LEU 962           HG       LEU 962   3.343  -0.286   4.900
  339   1HD1  LEU 962          1HD1      LEU 962   3.448  -1.759   2.968
  340   2HD1  LEU 962          2HD1      LEU 962   1.780  -1.531   3.495
  341   3HD1  LEU 962          3HD1      LEU 962   2.380  -0.678   2.072
  342   1HD2  LEU 962          1HD2      LEU 962   5.093   0.091   3.237
  343   2HD2  LEU 962          2HD2      LEU 962   4.042   1.225   2.388
  344   3HD2  LEU 962          3HD2      LEU 962   4.607   1.597   4.016
  345    H    ARG 963           H        ARG 963   0.955   1.452   7.164
  346    HA   ARG 963           HA       ARG 963   2.385  -0.593   8.390
  347   1HB   ARG 963          HB1       ARG 963   1.904   1.746   9.295
  348   2HB   ARG 963          HB2       ARG 963   0.367   1.098   9.858
  349   1HG   ARG 963          HG1       ARG 963   1.594  -0.591  11.176
  350   2HG   ARG 963          HG2       ARG 963   3.111   0.149  10.665
  351   1HD   ARG 963          HD1       ARG 963   2.200   2.309  11.655
  352   2HD   ARG 963          HD2       ARG 963   0.952   1.313  12.402
  353    HE   ARG 963           HE       ARG 963   3.727   0.553  12.879
  354   1HH1  ARG 963          2HH1      ARG 963   0.799   2.037  14.104
  355   2HH1  ARG 963          1HH1      ARG 963   1.361   2.065  15.748
  356   1HH2  ARG 963          2HH2      ARG 963   4.450   0.591  15.030
  357   2HH2  ARG 963          1HH2      ARG 963   3.419   1.247  16.268
  358    H    THR 964           H        THR 964  -1.131  -0.032   8.528
  359    HA   THR 964           HA       THR 964  -1.893  -2.374   9.777
  360    HB   THR 964           HB       THR 964  -3.383  -1.133   7.457
  361    HG1  THR 964           HG1      THR 964  -4.342   0.173   9.068
  362   1HG2  THR 964          1HG2      THR 964  -4.278  -3.301   8.160
  363   2HG2  THR 964          2HG2      THR 964  -4.326  -2.749   9.833
  364   3HG2  THR 964          3HG2      THR 964  -5.372  -2.000   8.627
  365    H    LEU 965           H        LEU 965  -0.925  -1.935   6.430
  366    HA   LEU 965           HA       LEU 965  -1.670  -4.518   5.493
  367   1HB   LEU 965          HB1       LEU 965   0.578  -2.781   4.475
  368   2HB   LEU 965          HB2       LEU 965  -0.138  -4.139   3.635
  369    HG   LEU 965           HG       LEU 965  -1.186  -1.384   4.019
  370   1HD1  LEU 965          1HD1      LEU 965  -1.119  -3.345   1.737
  371   2HD1  LEU 965          2HD1      LEU 965  -1.762  -1.705   1.655
  372   3HD1  LEU 965          3HD1      LEU 965  -0.047  -1.964   1.973
  373   1HD2  LEU 965          1HD2      LEU 965  -2.952  -2.735   4.964
  374   2HD2  LEU 965          2HD2      LEU 965  -3.429  -2.154   3.369
  375   3HD2  LEU 965          3HD2      LEU 965  -2.897  -3.824   3.577
  376    H    LEU 966           H        LEU 966   1.233  -3.179   6.910
  377    HA   LEU 966           HA       LEU 966   2.983  -5.305   6.660
  378   1HB   LEU 966          HB1       LEU 966   3.368  -3.009   7.709
  379   2HB   LEU 966          HB2       LEU 966   2.725  -3.685   9.192
  380    HG   LEU 966           HG       LEU 966   5.064  -4.999   7.842
  381   1HD1  LEU 966          1HD1      LEU 966   5.661  -2.647   8.003
  382   2HD1  LEU 966          2HD1      LEU 966   5.181  -2.625   9.700
  383   3HD1  LEU 966          3HD1      LEU 966   6.560  -3.596   9.185
  384   1HD2  LEU 966          1HD2      LEU 966   3.974  -6.150   9.716
  385   2HD2  LEU 966          2HD2      LEU 966   5.614  -5.648  10.126
  386   3HD2  LEU 966          3HD2      LEU 966   4.234  -4.732  10.733
  387    H    ALA 967           H        ALA 967   0.271  -4.943   8.856
  388    HA   ALA 967           HA       ALA 967   0.765  -7.280  10.406
  389   1HB   ALA 967          HB1       ALA 967  -1.843  -5.863   9.864
  390   2HB   ALA 967          HB2       ALA 967  -1.559  -7.057  11.131
  391   3HB   ALA 967          HB3       ALA 967  -0.721  -5.504  11.176
  392    H    THR 968           H        THR 968  -1.307  -6.690   7.563
  393    HA   THR 968           HA       THR 968  -2.199  -9.399   7.438
  394    HB   THR 968           HB       THR 968  -3.447  -7.459   6.414
  395    HG1  THR 968           HG1      THR 968  -4.270  -8.772   4.797
  396   1HG2  THR 968          1HG2      THR 968  -1.584  -6.385   5.236
  397   2HG2  THR 968          2HG2      THR 968  -1.431  -7.796   4.190
  398   3HG2  THR 968          3HG2      THR 968  -2.888  -6.806   4.125
  399    H    VAL 969           H        VAL 969   0.411  -7.615   5.895
  400    HA   VAL 969           HA       VAL 969   1.546  -9.567   4.327
  401    HB   VAL 969           HB       VAL 969   2.857  -7.486   6.072
  402   1HG1  VAL 969          1HG1      VAL 969   4.919  -7.871   4.801
  403   2HG1  VAL 969          2HG1      VAL 969   4.458  -9.285   5.750
  404   3HG1  VAL 969          3HG1      VAL 969   4.166  -9.255   4.011
  405   1HG2  VAL 969          1HG2      VAL 969   2.374  -7.657   3.100
  406   2HG2  VAL 969          2HG2      VAL 969   1.513  -6.626   4.245
  407   3HG2  VAL 969          3HG2      VAL 969   3.227  -6.353   3.923
  408    H    ASP 970           H        ASP 970   1.519  -9.342   7.833
  409    HA   ASP 970           HA       ASP 970   3.502 -11.346   8.272
  410   1HB   ASP 970          HB1       ASP 970   2.877  -9.604   9.949
  411   2HB   ASP 970          HB2       ASP 970   1.325 -10.405  10.152
  412    H    GLU 971           H        GLU 971   0.101 -11.399   7.741
  413    HA   GLU 971           HA       GLU 971  -0.336 -14.164   8.308
  414   1HB   GLU 971          HB1       GLU 971  -1.672 -12.636   6.066
  415   2HB   GLU 971          HB2       GLU 971  -2.316 -14.000   6.969
  416   1HG   GLU 971          HG1       GLU 971  -1.766 -11.275   8.109
  417   2HG   GLU 971          HG2       GLU 971  -3.350 -11.858   7.580
  418    H    SER 972           H        SER 972   0.489 -12.417   5.393
  419    HA   SER 972           HA       SER 972   0.913 -14.641   3.729
  420   1HB   SER 972          HB1       SER 972   0.437 -12.484   2.784
  421   2HB   SER 972          HB2       SER 972   1.881 -11.788   3.537
  422    HG   SER 972           HG       SER 972   3.054 -13.436   2.258
  423    H    LEU 973           H        LEU 973   2.912 -13.163   6.145
  424    HA   LEU 973           HA       LEU 973   5.439 -13.786   5.082
  425   1HB   LEU 973          HB1       LEU 973   4.605 -12.400   7.239
  426   2HB   LEU 973          HB2       LEU 973   5.137 -13.866   8.033
  427    HG   LEU 973           HG       LEU 973   6.901 -12.204   8.047
  428   1HD1  LEU 973          1HD1      LEU 973   7.518 -14.448   6.136
  429   2HD1  LEU 973          2HD1      LEU 973   8.701 -13.493   7.029
  430   3HD1  LEU 973          3HD1      LEU 973   7.573 -14.534   7.897
  431   1HD2  LEU 973          1HD2      LEU 973   6.739 -12.287   5.039
  432   2HD2  LEU 973          2HD2      LEU 973   6.204 -10.955   6.063
  433   3HD2  LEU 973          3HD2      LEU 973   7.913 -11.385   5.997
  434    HA   PRO 974           HA       PRO 974   5.222 -18.097   7.413
  435   1HB   PRO 974          HB1       PRO 974   2.520 -18.862   7.577
  436   2HB   PRO 974          HB2       PRO 974   3.604 -18.534   8.931
  437   1HG   PRO 974          HG1       PRO 974   1.563 -16.789   7.669
  438   2HG   PRO 974          HG2       PRO 974   2.101 -16.860   9.357
  439   1HD   PRO 974          HD1       PRO 974   2.840 -14.867   7.721
  440   2HD   PRO 974          HD2       PRO 974   3.935 -15.512   8.959
  441    H    VAL 975           H        VAL 975   2.823 -16.755   5.182
  442    HA   VAL 975           HA       VAL 975   2.861 -19.114   3.478
  443    HB   VAL 975           HB       VAL 975   1.994 -16.387   2.568
  444   1HG1  VAL 975          1HG1      VAL 975   1.121 -19.188   1.876
  445   2HG1  VAL 975          2HG1      VAL 975   0.433 -17.706   1.209
  446   3HG1  VAL 975          3HG1      VAL 975   2.115 -18.124   0.880
  447   1HG2  VAL 975          1HG2      VAL 975  -0.249 -16.911   3.414
  448   2HG2  VAL 975          2HG2      VAL 975   0.385 -18.370   4.178
  449   3HG2  VAL 975          3HG2      VAL 975   0.925 -16.781   4.723
  450    H    LEU 976           H        LEU 976   5.023 -16.581   3.997
  451    HA   LEU 976           HA       LEU 976   6.201 -16.374   1.433
  452   1HB   LEU 976          HB1       LEU 976   6.654 -14.591   2.833
  453   2HB   LEU 976          HB2       LEU 976   7.061 -15.610   4.195
  454    HG   LEU 976           HG       LEU 976   8.864 -15.481   1.790
  455   1HD1  LEU 976          1HD1      LEU 976  10.076 -13.655   2.861
  456   2HD1  LEU 976          2HD1      LEU 976   8.427 -13.172   2.468
  457   3HD1  LEU 976          3HD1      LEU 976   8.854 -13.577   4.131
  458   1HD2  LEU 976          1HD2      LEU 976  10.597 -15.935   3.473
  459   2HD2  LEU 976          2HD2      LEU 976   9.359 -15.965   4.729
  460   3HD2  LEU 976          3HD2      LEU 976   9.357 -17.189   3.459
  461    HA   PRO 977           HA       PRO 977   9.325 -19.817   2.945
  462   1HB   PRO 977          HB1       PRO 977   7.634 -21.157   4.986
  463   2HB   PRO 977          HB2       PRO 977   9.382 -20.892   4.971
  464   1HG   PRO 977          HG1       PRO 977   7.813 -19.469   6.576
  465   2HG   PRO 977          HG2       PRO 977   9.191 -18.717   5.748
  466   1HD   PRO 977          HD1       PRO 977   6.277 -18.593   5.069
  467   2HD   PRO 977          HD2       PRO 977   7.494 -17.302   5.044
  468    H    ALA 978           H        ALA 978   5.821 -20.213   3.206
  469    HA   ALA 978           HA       ALA 978   5.601 -22.694   1.931
  470   1HB   ALA 978          HB1       ALA 978   3.661 -20.387   1.813
  471   2HB   ALA 978          HB2       ALA 978   3.299 -22.072   1.439
  472   3HB   ALA 978          HB3       ALA 978   3.735 -21.607   3.083
  473    H    SER 979           H        SER 979   5.383 -19.421   0.480
  474    HA   SER 979           HA       SER 979   6.655 -20.253  -1.931
  475   1HB   SER 979          HB1       SER 979   3.671 -20.236  -1.785
  476   2HB   SER 979          HB2       SER 979   4.446 -19.707  -3.285
  477    HG   SER 979           HG       SER 979   5.163 -22.141  -2.017
  478    H    THR 980           H        THR 980   4.563 -17.897  -0.357
  479    HA   THR 980           HA       THR 980   4.447 -15.889  -2.227
  480    HB   THR 980           HB       THR 980   4.582 -15.433   0.745
  481    HG1  THR 980           HG1      THR 980   2.412 -15.984   0.735
  482   1HG2  THR 980          1HG2      THR 980   3.063 -13.576   0.249
  483   2HG2  THR 980          2HG2      THR 980   4.578 -13.395  -0.636
  484   3HG2  THR 980          3HG2      THR 980   3.134 -13.967  -1.470
  485    H    HIS 981           H        HIS 981   7.283 -16.688  -0.425
  486    HA   HIS 981           HA       HIS 981   8.412 -14.287   0.181
  487   1HB   HIS 981          HB1       HIS 981  10.613 -15.366   0.060
  488   2HB   HIS 981          HB2       HIS 981   9.421 -16.386   0.851
  489    HD1  HIS 981           HD1      HIS 981   9.040 -18.676  -0.111
  490    HD2  HIS 981           HD2      HIS 981  11.359 -16.262  -2.579
  491    HE1  HIS 981           HE1      HIS 981   9.891 -20.188  -1.932
  492    HE2  HIS 981           HE2      HIS 981  11.136 -18.668  -3.510
  493    H    ARG 982           H        ARG 982   8.038 -15.481  -3.075
  494    HA   ARG 982           HA       ARG 982  10.117 -13.895  -4.219
  495   1HB   ARG 982          HB1       ARG 982   9.356 -15.708  -5.527
  496   2HB   ARG 982          HB2       ARG 982   7.670 -15.248  -5.343
  497   1HG   ARG 982          HG1       ARG 982   8.120 -13.239  -6.724
  498   2HG   ARG 982          HG2       ARG 982   9.761 -13.836  -6.987
  499   1HD   ARG 982          HD1       ARG 982   9.024 -15.666  -8.233
  500   2HD   ARG 982          HD2       ARG 982   7.378 -15.544  -7.608
  501    HE   ARG 982           HE       ARG 982   8.236 -13.268  -9.161
  502   1HH1  ARG 982          2HH1      ARG 982   6.827 -16.483  -9.369
  503   2HH1  ARG 982          1HH1      ARG 982   5.883 -16.100 -10.773
  504   1HH2  ARG 982          2HH2      ARG 982   7.021 -12.793 -11.013
  505   2HH2  ARG 982          1HH2      ARG 982   5.992 -14.010 -11.718
  506    H    GLU 983           H        GLU 983   6.552 -13.421  -4.222
  507    HA   GLU 983           HA       GLU 983   6.819 -10.725  -5.124
  508   1HB   GLU 983          HB1       GLU 983   4.545 -12.418  -4.261
  509   2HB   GLU 983          HB2       GLU 983   4.334 -10.682  -4.230
  510   1HG   GLU 983          HG1       GLU 983   3.808 -10.770  -6.353
  511   2HG   GLU 983          HG2       GLU 983   5.489 -11.202  -6.693
  512    H    ILE 984           H        ILE 984   6.259 -12.190  -1.972
  513    HA   ILE 984           HA       ILE 984   5.347  -9.847  -0.739
  514    HB   ILE 984           HB       ILE 984   5.038 -12.132   0.172
  515   1HG1  ILE 984          1HG1      ILE 984   5.352 -11.507   2.553
  516   2HG1  ILE 984          2HG1      ILE 984   6.338 -10.139   2.047
  517   1HG2  ILE 984          1HG2      ILE 984   6.816 -13.142   1.507
  518   2HG2  ILE 984          2HG2      ILE 984   7.287 -12.982  -0.186
  519   3HG2  ILE 984          3HG2      ILE 984   7.920 -11.857   1.017
  520   1HD1  ILE 984          1HD1      ILE 984   4.415  -9.202   0.873
  521   2HD1  ILE 984          2HD1      ILE 984   3.433 -10.565   1.409
  522   3HD1  ILE 984          3HD1      ILE 984   4.095  -9.437   2.591
  523    H    GLU 985           H        GLU 985   8.575 -11.049  -1.350
  524    HA   GLU 985           HA       GLU 985   9.867  -9.042   0.219
  525   1HB   GLU 985          HB1       GLU 985  10.848 -10.903  -1.932
  526   2HB   GLU 985          HB2       GLU 985  11.885  -9.673  -1.224
  527   1HG   GLU 985          HG1       GLU 985  11.438 -10.668   1.008
  528   2HG   GLU 985          HG2       GLU 985  10.556 -11.966   0.201
  529    H    MET 986           H        MET 986   8.929  -9.325  -3.205
  530    HA   MET 986           HA       MET 986  10.471  -7.120  -4.063
  531   1HB   MET 986          HB1       MET 986   9.356  -7.240  -6.165
  532   2HB   MET 986          HB2       MET 986   9.582  -8.883  -5.590
  533   1HG   MET 986          HG1       MET 986   7.288  -9.078  -5.011
  534   2HG   MET 986          HG2       MET 986   7.007  -7.360  -5.292
  535   1HE   MET 986          HE1       MET 986   7.784 -10.837  -6.917
  536   2HE   MET 986          HE2       MET 986   7.924 -10.422  -8.626
  537   3HE   MET 986          HE3       MET 986   9.139  -9.859  -7.479
  538    H    ALA 987           H        ALA 987   6.980  -7.263  -3.302
  539    HA   ALA 987           HA       ALA 987   6.625  -4.518  -3.913
  540   1HB   ALA 987          HB1       ALA 987   4.332  -4.820  -3.253
  541   2HB   ALA 987          HB2       ALA 987   4.841  -6.180  -4.255
  542   3HB   ALA 987          HB3       ALA 987   4.716  -6.371  -2.506
  543    H    GLN 988           H        GLN 988   7.042  -6.384  -0.904
  544    HA   GLN 988           HA       GLN 988   6.335  -4.329   0.851
  545   1HB   GLN 988          HB1       GLN 988   8.283  -6.600   1.104
  546   2HB   GLN 988          HB2       GLN 988   8.194  -5.382   2.366
  547   1HG   GLN 988          HG1       GLN 988   5.739  -5.901   2.528
  548   2HG   GLN 988          HG2       GLN 988   6.052  -7.281   1.471
  549   1HE2  GLN 988          2HE2      GLN 988   7.449  -8.931   2.209
  550   2HE2  GLN 988          1HE2      GLN 988   7.708  -9.184   3.901
  551    H    LYS 989           H        LYS 989   9.596  -5.169  -0.337
  552    HA   LYS 989           HA       LYS 989  10.972  -2.973   0.718
  553   1HB   LYS 989          HB1       LYS 989  12.046  -4.965  -0.267
  554   2HB   LYS 989          HB2       LYS 989  11.485  -4.479  -1.857
  555   1HG   LYS 989          HG1       LYS 989  12.851  -2.430  -1.668
  556   2HG   LYS 989          HG2       LYS 989  13.473  -3.028  -0.128
  557   1HD   LYS 989          HD1       LYS 989  13.750  -4.389  -2.810
  558   2HD   LYS 989          HD2       LYS 989  15.027  -3.535  -1.942
  559   1HE   LYS 989          HE1       LYS 989  14.994  -5.155  -0.175
  560   2HE   LYS 989          HE2       LYS 989  13.558  -5.929  -0.844
  561   1HZ   LYS 989          HZ1       LYS 989  14.836  -6.622  -2.753
  562   2HZ   LYS 989          HZ2       LYS 989  16.214  -5.821  -2.175
  563   3HZ   LYS 989          HZ3       LYS 989  15.598  -7.157  -1.336
  564    H    LEU 990           H        LEU 990   9.125  -3.425  -2.185
  565    HA   LEU 990           HA       LEU 990   9.697  -1.051  -3.541
  566   1HB   LEU 990          HB1       LEU 990   8.671  -2.739  -4.761
  567   2HB   LEU 990          HB2       LEU 990   7.475  -3.050  -3.522
  568    HG   LEU 990           HG       LEU 990   6.355  -0.946  -4.113
  569   1HD1  LEU 990          1HD1      LEU 990   8.265   0.258  -5.060
  570   2HD1  LEU 990          2HD1      LEU 990   8.359  -0.907  -6.382
  571   3HD1  LEU 990          3HD1      LEU 990   6.959   0.155  -6.240
  572   1HD2  LEU 990          1HD2      LEU 990   5.398  -1.746  -6.210
  573   2HD2  LEU 990          2HD2      LEU 990   6.741  -2.877  -6.387
  574   3HD2  LEU 990          3HD2      LEU 990   5.610  -3.052  -5.044
  575    H    LEU 991           H        LEU 991   6.826  -1.801  -1.499
  576    HA   LEU 991           HA       LEU 991   5.903   0.893  -1.724
  577   1HB   LEU 991          HB1       LEU 991   4.222   0.100   0.053
  578   2HB   LEU 991          HB2       LEU 991   4.141  -0.554  -1.567
  579    HG   LEU 991           HG       LEU 991   5.440  -2.552  -0.687
  580   1HD1  LEU 991          1HD1      LEU 991   4.646  -1.346   1.958
  581   2HD1  LEU 991          2HD1      LEU 991   5.266  -2.981   1.717
  582   3HD1  LEU 991          3HD1      LEU 991   6.290  -1.588   1.369
  583   1HD2  LEU 991          1HD2      LEU 991   2.701  -1.985   0.426
  584   2HD2  LEU 991          2HD2      LEU 991   3.062  -2.587  -1.193
  585   3HD2  LEU 991          3HD2      LEU 991   3.429  -3.578   0.220
  586    H    ASN 992           H        ASN 992   7.937  -0.747   0.541
  587    HA   ASN 992           HA       ASN 992   7.537   0.981   2.748
  588   1HB   ASN 992          HB1       ASN 992   8.741  -1.212   2.864
  589   2HB   ASN 992          HB2       ASN 992  10.065  -0.494   1.955
  590   1HD2  ASN 992          2HD2      ASN 992   8.500  -0.733   5.020
  591   2HD2  ASN 992          1HD2      ASN 992   9.670   0.160   5.922
  592    H    SER 993           H        SER 993   9.444   1.082  -0.159
  593    HA   SER 993           HA       SER 993  10.998   3.359   0.591
  594   1HB   SER 993          HB1       SER 993  10.548   2.135  -2.139
  595   2HB   SER 993          HB2       SER 993  11.830   3.266  -1.705
  596    HG   SER 993           HG       SER 993  11.472   0.575  -0.880
  597    H    ASP 994           H        ASP 994   7.944   2.896  -1.151
  598    HA   ASP 994           HA       ASP 994   8.129   5.652  -2.132
  599   1HB   ASP 994          HB1       ASP 994   7.326   3.487  -3.492
  600   2HB   ASP 994          HB2       ASP 994   5.769   4.032  -2.874
  601    H    LEU 995           H        LEU 995   6.091   3.629  -0.024
  602    HA   LEU 995           HA       LEU 995   4.299   5.678   0.691
  603   1HB   LEU 995          HB1       LEU 995   3.876   3.428   1.477
  604   2HB   LEU 995          HB2       LEU 995   5.404   3.379   2.328
  605    HG   LEU 995           HG       LEU 995   3.227   3.634   3.673
  606   1HD1  LEU 995          1HD1      LEU 995   5.430   3.858   4.667
  607   2HD1  LEU 995          2HD1      LEU 995   5.507   5.544   4.155
  608   3HD1  LEU 995          3HD1      LEU 995   4.312   5.039   5.351
  609   1HD2  LEU 995          1HD2      LEU 995   2.141   5.367   2.448
  610   2HD2  LEU 995          2HD2      LEU 995   2.573   6.017   4.029
  611   3HD2  LEU 995          3HD2      LEU 995   3.535   6.436   2.616
  612    H    ALA 996           H        ALA 996   7.592   4.950   1.704
  613    HA   ALA 996           HA       ALA 996   7.806   7.076   3.573
  614   1HB   ALA 996          HB1       ALA 996  10.022   5.775   1.995
  615   2HB   ALA 996          HB2       ALA 996  10.201   6.737   3.464
  616   3HB   ALA 996          HB3       ALA 996   9.376   5.180   3.526
  617    H    GLU 997           H        GLU 997   8.713   6.846   0.130
  618    HA   GLU 997           HA       GLU 997   9.481   9.430  -0.297
  619   1HB   GLU 997          HB1       GLU 997   7.843   7.611  -2.051
  620   2HB   GLU 997          HB2       GLU 997   8.396   9.192  -2.592
  621   1HG   GLU 997          HG1       GLU 997  10.278   7.139  -1.507
  622   2HG   GLU 997          HG2       GLU 997   9.807   7.169  -3.208
  623    H    LEU 998           H        LEU 998   6.141   8.254  -0.130
  624    HA   LEU 998           HA       LEU 998   5.047  10.834  -0.655
  625   1HB   LEU 998          HB1       LEU 998   3.984   8.217   0.230
  626   2HB   LEU 998          HB2       LEU 998   3.030   9.634   0.629
  627    HG   LEU 998           HG       LEU 998   2.287   8.618  -1.460
  628   1HD1  LEU 998          1HD1      LEU 998   3.638  11.284  -1.853
  629   2HD1  LEU 998          2HD1      LEU 998   2.338  10.625  -2.846
  630   3HD1  LEU 998          3HD1      LEU 998   2.039  11.023  -1.154
  631   1HD2  LEU 998          1HD2      LEU 998   4.386   7.634  -2.183
  632   2HD2  LEU 998          2HD2      LEU 998   3.728   8.679  -3.442
  633   3HD2  LEU 998          3HD2      LEU 998   5.069   9.239  -2.442
  634    H    ILE 999           H        ILE 999   6.116   9.130   2.158
  635    HA   ILE 999           HA       ILE 999   5.078  10.849   4.144
  636    HB   ILE 999           HB       ILE 999   7.585   9.173   4.115
  637   1HG1  ILE 999          1HG1      ILE 999   4.943   8.913   5.566
  638   2HG1  ILE 999          2HG1      ILE 999   5.465   7.959   4.180
  639   1HG2  ILE 999          1HG2      ILE 999   8.005  11.074   5.584
  640   2HG2  ILE 999          2HG2      ILE 999   6.494  10.762   6.438
  641   3HG2  ILE 999          3HG2      ILE 999   7.811   9.592   6.518
  642   1HD1  ILE 999          1HD1      ILE 999   5.685   6.713   6.249
  643   2HD1  ILE 999          2HD1      ILE 999   7.264   7.000   5.517
  644   3HD1  ILE 999          3HD1      ILE 999   6.745   7.960   6.903
  645    H    ASN1000           H        ASN1000   8.164  11.002   2.361
  646    HA   ASN1000           HA       ASN1000   8.773  13.574   3.537
  647   1HB   ASN1000          HB1       ASN1000  10.862  13.364   2.571
  648   2HB   ASN1000          HB2       ASN1000  10.375  11.677   2.688
  649   1HD2  ASN1000          2HD2      ASN1000  10.340  10.471   0.976
  650   2HD2  ASN1000          1HD2      ASN1000  10.593  11.008  -0.650
  651    H    LYS1001           H        LYS1001   6.939  12.518   0.877
  652    HA   LYS1001           HA       LYS1001   7.207  15.056  -0.480
  653   1HB   LYS1001          HB1       LYS1001   5.587  12.615  -1.137
  654   2HB   LYS1001          HB2       LYS1001   5.449  14.121  -2.043
  655   1HG   LYS1001          HG1       LYS1001   7.866  14.029  -2.522
  656   2HG   LYS1001          HG2       LYS1001   7.955  12.487  -1.675
  657   1HD   LYS1001          HD1       LYS1001   6.217  11.654  -3.323
  658   2HD   LYS1001          HD2       LYS1001   6.528  13.130  -4.238
  659   1HE   LYS1001          HE1       LYS1001   8.606  11.067  -3.493
  660   2HE   LYS1001          HE2       LYS1001   7.830  11.206  -5.068
  661   1HZ   LYS1001          HZ1       LYS1001  10.046  12.237  -4.980
  662   2HZ   LYS1001          HZ2       LYS1001   8.835  13.351  -5.381
  663   3HZ   LYS1001          HZ3       LYS1001   9.490  13.334  -3.813
  664    H    MET1002           H        MET1002   4.987  13.531   1.750
  665    HA   MET1002           HA       MET1002   3.064  15.663   1.657
  666   1HB   MET1002          HB1       MET1002   2.131  14.701   3.641
  667   2HB   MET1002          HB2       MET1002   2.648  13.349   2.644
  668   1HG   MET1002          HG1       MET1002   4.767  13.316   4.023
  669   2HG   MET1002          HG2       MET1002   3.963  14.440   5.114
  670   1HE   MET1002          HE1       MET1002   5.123  11.775   6.277
  671   2HE   MET1002          HE2       MET1002   4.194  12.951   7.204
  672   3HE   MET1002          HE3       MET1002   3.768  11.241   7.272
  673    H    LYS1003           H        LYS1003   5.960  14.834   3.326
  674    HA   LYS1003           HA       LYS1003   6.161  17.162   4.940
  675   1HB   LYS1003          HB1       LYS1003   7.312  15.063   5.501
  676   2HB   LYS1003          HB2       LYS1003   8.257  15.178   4.025
  677   1HG   LYS1003          HG1       LYS1003   9.404  17.105   4.828
  678   2HG   LYS1003          HG2       LYS1003   8.344  17.218   6.234
  679   1HD   LYS1003          HD1       LYS1003  10.459  16.248   6.886
  680   2HD   LYS1003          HD2       LYS1003   9.193  15.025   7.000
  681   1HE   LYS1003          HE1       LYS1003   9.886  14.110   4.843
  682   2HE   LYS1003          HE2       LYS1003  11.138  15.343   4.719
  683   1HZ   LYS1003          HZ1       LYS1003  12.124  13.336   5.503
  684   2HZ   LYS1003          HZ2       LYS1003  12.098  14.438   6.793
  685   3HZ   LYS1003          HZ3       LYS1003  10.970  13.173   6.737
  686    H    LEU1004           H        LEU1004   6.451  16.562   1.706
  687    HA   LEU1004           HA       LEU1004   8.660  18.425   1.140
  688   1HB   LEU1004          HB1       LEU1004   8.518  16.298  -0.139
  689   2HB   LEU1004          HB2       LEU1004   7.016  16.863  -0.850
  690    HG   LEU1004           HG       LEU1004   8.283  18.789  -1.819
  691   1HD1  LEU1004          1HD1      LEU1004  10.720  18.612  -1.939
  692   2HD1  LEU1004          2HD1      LEU1004  10.161  18.806  -0.278
  693   3HD1  LEU1004          3HD1      LEU1004  10.668  17.219  -0.859
  694   1HD2  LEU1004          1HD2      LEU1004   9.327  17.468  -3.601
  695   2HD2  LEU1004          2HD2      LEU1004   9.193  16.023  -2.599
  696   3HD2  LEU1004          3HD2      LEU1004   7.737  16.842  -3.165
  697    H    ALA1005           H        ALA1005   5.292  17.987   0.059
  698    HA   ALA1005           HA       ALA1005   5.015  20.511  -1.130
  699   1HB   ALA1005          HB1       ALA1005   3.432  18.666  -1.478
  700   2HB   ALA1005          HB2       ALA1005   2.877  18.837   0.187
  701   3HB   ALA1005          HB3       ALA1005   2.612  20.143  -0.968
  702    H    GLN1006           H        GLN1006   4.518  19.380   2.145
  703    HA   GLN1006           HA       GLN1006   3.634  21.903   3.156
  704   1HB   GLN1006          HB1       GLN1006   3.097  20.703   4.985
  705   2HB   GLN1006          HB2       GLN1006   3.499  19.297   4.011
  706   1HG   GLN1006          HG1       GLN1006   4.702  18.836   5.871
  707   2HG   GLN1006          HG2       GLN1006   5.910  19.751   4.971
  708   1HE2  GLN1006          2HE2      GLN1006   6.980  20.374   6.857
  709   2HE2  GLN1006          1HE2      GLN1006   6.336  21.572   7.924
  710    H    GLN1007           H        GLN1007   6.695  20.379   2.595
  711    HA   GLN1007           HA       GLN1007   8.293  21.985   4.302
  712   1HB   GLN1007          HB1       GLN1007   8.784  19.758   2.914
  713   2HB   GLN1007          HB2       GLN1007   9.349  20.921   1.728
  714   1HG   GLN1007          HG1       GLN1007  11.118  19.982   3.175
  715   2HG   GLN1007          HG2       GLN1007  11.014  21.748   3.237
  716   1HE2  GLN1007          2HE2      GLN1007   8.711  19.677   4.839
  717   2HE2  GLN1007          1HE2      GLN1007   9.232  20.023   6.458
  718    H    TYR1008           H        TYR1008   7.323  22.174   0.934
  719    HA   TYR1008           HA       TYR1008   8.688  24.596   0.336
  720   1HB   TYR1008          HB1       TYR1008   7.573  22.735  -1.200
  721   2HB   TYR1008          HB2       TYR1008   6.178  23.798  -1.083
  722    HD1  TYR1008           HD1      TYR1008   6.705  23.587  -3.671
  723    HD2  TYR1008           HD2      TYR1008   9.052  25.796  -0.888
  724    HE1  TYR1008           HE1      TYR1008   7.632  24.926  -5.519
  725    HE2  TYR1008           HE2      TYR1008   9.978  27.139  -2.726
  726    HH   TYR1008           HH       TYR1008   8.693  27.031  -5.912
  727    H    VAL1009           H        VAL1009   5.238  23.898   0.673
  728    HA   VAL1009           HA       VAL1009   3.441  25.215   1.067
  729    HB   VAL1009           HB       VAL1009   4.208  24.421   3.277
  730   1HG1  VAL1009          1HG1      VAL1009   5.431  27.162   3.556
  731   2HG1  VAL1009          2HG1      VAL1009   5.241  25.987   4.857
  732   3HG1  VAL1009          3HG1      VAL1009   6.299  25.629   3.491
  733   1HG2  VAL1009          1HG2      VAL1009   2.070  25.518   3.079
  734   2HG2  VAL1009          2HG2      VAL1009   2.825  25.948   4.615
  735   3HG2  VAL1009          3HG2      VAL1009   2.829  27.099   3.278
  736    H    MET1010           H        MET1010   5.321  26.546  -0.631
  737    HA   MET1010           HA       MET1010   4.939  29.360   0.043
  738   1HB   MET1010          HB1       MET1010   7.081  28.527  -0.987
  739   2HB   MET1010          HB2       MET1010   6.173  28.128  -2.434
  740   1HG   MET1010          HG1       MET1010   7.129  30.159  -2.954
  741   2HG   MET1010          HG2       MET1010   5.506  30.611  -2.444
  742   1HE   MET1010          HE1       MET1010   4.944  32.003  -0.317
  743   2HE   MET1010          HE2       MET1010   5.481  30.638   0.662
  744   3HE   MET1010          HE3       MET1010   6.067  32.265   1.017
  745    H    THR1011           H        THR1011   2.847  29.936  -0.243
  746    HA   THR1011           HA       THR1011   0.842  28.499  -1.186
  747    HB   THR1011           HB       THR1011   0.411  30.543  -0.042
  748    HG1  THR1011           HG1      THR1011  -1.121  31.486  -1.825
  749   1HG2  THR1011          1HG2      THR1011   0.549  32.737  -1.176
  750   2HG2  THR1011          2HG2      THR1011   2.124  31.976  -0.952
  751   3HG2  THR1011          3HG2      THR1011   1.352  31.953  -2.537
  752    H    SER1012           H        SER1012   2.585  30.705  -3.442
  753    HA   SER1012           HA       SER1012   0.832  29.925  -5.598
  754   1HB   SER1012          HB1       SER1012   3.387  31.543  -5.671
  755   2HB   SER1012          HB2       SER1012   2.207  31.407  -6.976
  756    HG   SER1012           HG       SER1012   0.710  32.474  -5.712
  757    H    LEU1013           H        LEU1013   4.183  29.230  -4.677
  758    HA   LEU1013           HA       LEU1013   4.611  27.649  -7.074
  759   1HB   LEU1013          HB1       LEU1013   6.365  28.358  -4.732
  760   2HB   LEU1013          HB2       LEU1013   6.870  27.214  -5.957
  761    HG   LEU1013           HG       LEU1013   7.869  29.299  -6.481
  762   1HD1  LEU1013          1HD1      LEU1013   7.026  28.050  -8.387
  763   2HD1  LEU1013          2HD1      LEU1013   5.487  28.904  -8.280
  764   3HD1  LEU1013          3HD1      LEU1013   6.959  29.787  -8.685
  765   1HD2  LEU1013          1HD2      LEU1013   6.591  31.360  -6.829
  766   2HD2  LEU1013          2HD2      LEU1013   5.123  30.533  -6.307
  767   3HD2  LEU1013          3HD2      LEU1013   6.450  30.772  -5.171
  768    H    GLN1014           H        GLN1014   3.225  27.110  -4.126
  769    HA   GLN1014           HA       GLN1014   4.273  24.671  -3.248
  770   1HB   GLN1014          HB1       GLN1014   2.774  26.220  -1.974
  771   2HB   GLN1014          HB2       GLN1014   1.432  25.652  -2.953
  772   1HG   GLN1014          HG1       GLN1014   2.981  23.564  -1.575
  773   2HG   GLN1014          HG2       GLN1014   2.060  24.657  -0.543
  774   1HE2  GLN1014          2HE2      GLN1014   1.901  22.151  -2.922
  775   2HE2  GLN1014          1HE2      GLN1014   0.197  21.877  -2.808
  776    H    GLN1015           H        GLN1015   1.914  25.395  -5.718
  777    HA   GLN1015           HA       GLN1015   0.687  22.895  -5.944
  778   1HB   GLN1015          HB1       GLN1015   0.100  23.589  -8.259
  779   2HB   GLN1015          HB2       GLN1015  -0.302  24.776  -7.028
  780   1HG   GLN1015          HG1       GLN1015   1.715  26.042  -7.617
  781   2HG   GLN1015          HG2       GLN1015   2.070  24.862  -8.878
  782   1HE2  GLN1015          2HE2      GLN1015   1.953  26.414 -10.491
  783   2HE2  GLN1015          1HE2      GLN1015   0.439  27.088 -11.014
  784    H    GLU1016           H        GLU1016   3.630  24.105  -7.545
  785    HA   GLU1016           HA       GLU1016   4.334  22.016  -9.112
  786   1HB   GLU1016          HB1       GLU1016   5.723  24.004  -8.858
  787   2HB   GLU1016          HB2       GLU1016   6.147  23.524  -7.221
  788   1HG   GLU1016          HG1       GLU1016   7.220  21.490  -8.154
  789   2HG   GLU1016          HG2       GLU1016   6.898  22.117  -9.769
  790    H    TYR1017           H        TYR1017   4.564  22.099  -5.585
  791    HA   TYR1017           HA       TYR1017   5.831  19.493  -5.543
  792   1HB   TYR1017          HB1       TYR1017   5.132  21.511  -3.432
  793   2HB   TYR1017          HB2       TYR1017   5.511  19.853  -2.978
  794    HD1  TYR1017           HD1      TYR1017   7.449  20.835  -1.682
  795    HD2  TYR1017           HD2      TYR1017   7.165  21.093  -5.927
  796    HE1  TYR1017           HE1      TYR1017   9.852  21.348  -1.819
  797    HE2  TYR1017           HE2      TYR1017   9.557  21.606  -6.063
  798    HH   TYR1017           HH       TYR1017  11.321  22.489  -4.713
  799    H    LYS1018           H        LYS1018   2.666  20.851  -5.240
  800    HA   LYS1018           HA       LYS1018   1.411  18.575  -4.085
  801   1HB   LYS1018          HB1       LYS1018   0.276  20.728  -4.097
  802   2HB   LYS1018          HB2       LYS1018   0.278  20.748  -5.857
  803   1HG   LYS1018          HG1       LYS1018  -1.086  18.609  -5.731
  804   2HG   LYS1018          HG2       LYS1018  -1.302  18.978  -4.019
  805   1HD   LYS1018          HD1       LYS1018  -2.399  21.033  -4.527
  806   2HD   LYS1018          HD2       LYS1018  -1.979  20.897  -6.236
  807   1HE   LYS1018          HE1       LYS1018  -3.367  18.846  -6.361
  808   2HE   LYS1018          HE2       LYS1018  -3.853  19.115  -4.687
  809   1HZ   LYS1018          HZ1       LYS1018  -4.897  21.156  -5.302
  810   2HZ   LYS1018          HZ2       LYS1018  -4.307  21.061  -6.884
  811   3HZ   LYS1018          HZ3       LYS1018  -5.467  19.948  -6.341
  812    H    LYS1019           H        LYS1019   1.941  19.651  -7.417
  813    HA   LYS1019           HA       LYS1019   0.512  17.665  -8.754
  814   1HB   LYS1019          HB1       LYS1019   1.435  19.691  -9.826
  815   2HB   LYS1019          HB2       LYS1019   3.058  19.053  -9.625
  816   1HG   LYS1019          HG1       LYS1019   2.353  17.105 -11.060
  817   2HG   LYS1019          HG2       LYS1019   0.874  18.003 -11.404
  818   1HD   LYS1019          HD1       LYS1019   3.686  18.946 -11.962
  819   2HD   LYS1019          HD2       LYS1019   2.549  18.329 -13.159
  820   1HE   LYS1019          HE1       LYS1019   1.041  20.181 -12.710
  821   2HE   LYS1019          HE2       LYS1019   2.128  20.783 -11.458
  822   1HZ   LYS1019          HZ1       LYS1019   2.454  22.016 -13.479
  823   2HZ   LYS1019          HZ2       LYS1019   3.833  21.076 -13.182
  824   3HZ   LYS1019          HZ3       LYS1019   2.718  20.594 -14.364
  825    H    GLN1020           H        GLN1020   4.023  17.785  -8.246
  826    HA   GLN1020           HA       GLN1020   4.635  15.195  -8.948
  827   1HB   GLN1020          HB1       GLN1020   5.975  16.891  -6.837
  828   2HB   GLN1020          HB2       GLN1020   6.689  15.490  -7.630
  829   1HG   GLN1020          HG1       GLN1020   6.567  16.634  -9.778
  830   2HG   GLN1020          HG2       GLN1020   5.823  18.029  -8.998
  831   1HE2  GLN1020          2HE2      GLN1020   7.079  19.379  -7.734
  832   2HE2  GLN1020          1HE2      GLN1020   8.812  19.359  -7.796
  833    H    MET1021           H        MET1021   3.488  16.390  -5.832
  834    HA   MET1021           HA       MET1021   3.907  14.014  -4.368
  835   1HB   MET1021          HB1       MET1021   3.520  16.137  -3.261
  836   2HB   MET1021          HB2       MET1021   1.917  16.250  -3.969
  837   1HG   MET1021          HG1       MET1021   1.181  14.342  -2.668
  838   2HG   MET1021          HG2       MET1021   2.801  14.156  -1.997
  839   1HE   MET1021          HE1       MET1021   1.185  17.621  -2.747
  840   2HE   MET1021          HE2       MET1021  -0.239  16.669  -2.327
  841   3HE   MET1021          HE3       MET1021   0.304  17.965  -1.260
  842    H    LEU1022           H        LEU1022   1.127  15.202  -6.222
  843    HA   LEU1022           HA       LEU1022  -0.610  13.066  -5.577
  844   1HB   LEU1022          HB1       LEU1022  -1.383  15.203  -6.513
  845   2HB   LEU1022          HB2       LEU1022  -0.575  14.834  -8.023
  846    HG   LEU1022           HG       LEU1022  -2.076  12.879  -8.316
  847   1HD1  LEU1022          1HD1      LEU1022  -4.077  12.705  -6.919
  848   2HD1  LEU1022          2HD1      LEU1022  -2.602  12.453  -5.984
  849   3HD1  LEU1022          3HD1      LEU1022  -3.461  13.990  -5.880
  850   1HD2  LEU1022          1HD2      LEU1022  -2.599  15.004  -9.382
  851   2HD2  LEU1022          2HD2      LEU1022  -4.072  14.168  -8.891
  852   3HD2  LEU1022          3HD2      LEU1022  -3.469  15.527  -7.940
  853    H    THR1023           H        THR1023   1.672  13.580  -8.223
  854    HA   THR1023           HA       THR1023   1.038  11.241  -9.692
  855    HB   THR1023           HB       THR1023   3.779  12.506  -9.623
  856    HG1  THR1023           HG1      THR1023   2.047  14.125  -9.843
  857   1HG2  THR1023          1HG2      THR1023   2.159  11.206 -11.818
  858   2HG2  THR1023          2HG2      THR1023   3.763  11.912 -12.015
  859   3HG2  THR1023          3HG2      THR1023   3.542  10.497 -10.984
  860    H    ALA1024           H        ALA1024   2.935  11.881  -6.919
  861    HA   ALA1024           HA       ALA1024   4.487   9.436  -7.013
  862   1HB   ALA1024          HB1       ALA1024   4.207  11.488  -4.824
  863   2HB   ALA1024          HB2       ALA1024   5.353  10.147  -4.833
  864   3HB   ALA1024          HB3       ALA1024   5.481  11.428  -6.039
  865    H    ALA1025           H        ALA1025   1.743  10.747  -5.228
  866    HA   ALA1025           HA       ALA1025   1.295   8.588  -3.502
  867   1HB   ALA1025          HB1       ALA1025  -0.734  10.454  -4.731
  868   2HB   ALA1025          HB2       ALA1025  -0.986   9.439  -3.311
  869   3HB   ALA1025          HB3       ALA1025   0.188  10.754  -3.258
  870    H    HIS1026           H        HIS1026   0.442   9.089  -6.868
  871    HA   HIS1026           HA       HIS1026  -1.221   6.828  -7.123
  872   1HB   HIS1026          HB1       HIS1026  -1.165   8.553  -8.856
  873   2HB   HIS1026          HB2       HIS1026   0.523   8.186  -9.196
  874    HD1  HIS1026           HD1      HIS1026   0.628   7.062 -11.392
  875    HD2  HIS1026           HD2      HIS1026  -2.613   5.745  -9.141
  876    HE1  HIS1026           HE1      HIS1026  -0.500   5.305 -12.790
  877    HE2  HIS1026           HE2      HIS1026  -2.568   4.670 -11.495
  878    H    ALA1027           H        ALA1027   2.261   7.278  -7.304
  879    HA   ALA1027           HA       ALA1027   2.867   4.673  -8.224
  880   1HB   ALA1027          HB1       ALA1027   5.148   5.159  -7.558
  881   2HB   ALA1027          HB2       ALA1027   4.436   6.540  -8.392
  882   3HB   ALA1027          HB3       ALA1027   4.599   6.559  -6.637
  883    H    LEU1028           H        LEU1028   2.776   6.077  -4.940
  884    HA   LEU1028           HA       LEU1028   3.521   3.637  -3.695
  885   1HB   LEU1028          HB1       LEU1028   3.781   4.951  -1.941
  886   2HB   LEU1028          HB2       LEU1028   3.090   6.293  -2.804
  887    HG   LEU1028           HG       LEU1028   1.453   4.340  -1.153
  888   1HD1  LEU1028          1HD1      LEU1028   2.592   7.018  -0.399
  889   2HD1  LEU1028          2HD1      LEU1028   1.448   6.078   0.560
  890   3HD1  LEU1028          3HD1      LEU1028   3.070   5.454   0.259
  891   1HD2  LEU1028          1HD2      LEU1028   0.144   5.587  -2.799
  892   2HD2  LEU1028          2HD2      LEU1028  -0.202   6.157  -1.168
  893   3HD2  LEU1028          3HD2      LEU1028   0.845   7.100  -2.227
  894    H    ALA1029           H        ALA1029   0.398   5.063  -4.504
  895    HA   ALA1029           HA       ALA1029  -1.267   3.066  -3.535
  896   1HB   ALA1029          HB1       ALA1029  -2.871   3.737  -5.232
  897   2HB   ALA1029          HB2       ALA1029  -2.079   5.152  -4.538
  898   3HB   ALA1029          HB3       ALA1029  -1.599   4.566  -6.130
  899    H    VAL1030           H        VAL1030   0.761   3.053  -6.395
  900    HA   VAL1030           HA       VAL1030  -0.296   0.573  -7.408
  901    HB   VAL1030           HB       VAL1030   2.261   2.018  -8.139
  902   1HG1  VAL1030          1HG1      VAL1030   0.880  -0.261  -9.549
  903   2HG1  VAL1030          2HG1      VAL1030   2.305   0.603 -10.123
  904   3HG1  VAL1030          3HG1      VAL1030   2.399  -0.371  -8.656
  905   1HG2  VAL1030          1HG2      VAL1030   0.304   3.322  -8.702
  906   2HG2  VAL1030          2HG2      VAL1030   1.012   2.657 -10.174
  907   3HG2  VAL1030          3HG2      VAL1030  -0.437   1.925  -9.485
  908    H    ASP1031           H        ASP1031   2.374   1.569  -5.403
  909    HA   ASP1031           HA       ASP1031   3.638  -0.891  -5.046
  910   1HB   ASP1031          HB1       ASP1031   3.264   1.467  -3.207
  911   2HB   ASP1031          HB2       ASP1031   4.226   0.063  -2.753
  912    H    ALA1032           H        ALA1032   0.907   0.539  -3.264
  913    HA   ALA1032           HA       ALA1032   0.219  -1.663  -1.657
  914   1HB   ALA1032          HB1       ALA1032  -2.035  -0.714  -1.641
  915   2HB   ALA1032          HB2       ALA1032  -0.814   0.541  -1.425
  916   3HB   ALA1032          HB3       ALA1032  -1.605   0.338  -2.988
  917    H    LYS1033           H        LYS1033  -0.919  -0.750  -4.891
  918    HA   LYS1033           HA       LYS1033  -2.638  -2.858  -5.387
  919   1HB   LYS1033          HB1       LYS1033  -2.251  -0.739  -6.755
  920   2HB   LYS1033          HB2       LYS1033  -0.904  -1.581  -7.503
  921   1HG   LYS1033          HG1       LYS1033  -3.660  -2.755  -7.527
  922   2HG   LYS1033          HG2       LYS1033  -3.172  -1.545  -8.711
  923   1HD   LYS1033          HD1       LYS1033  -1.308  -2.989  -9.397
  924   2HD   LYS1033          HD2       LYS1033  -1.826  -4.204  -8.226
  925   1HE   LYS1033          HE1       LYS1033  -2.613  -4.774 -10.458
  926   2HE   LYS1033          HE2       LYS1033  -3.968  -4.409  -9.395
  927   1HZ   LYS1033          HZ1       LYS1033  -4.222  -3.391 -11.579
  928   2HZ   LYS1033          HZ2       LYS1033  -4.118  -2.211 -10.369
  929   3HZ   LYS1033          HZ3       LYS1033  -2.782  -2.525 -11.362
  930    H    ASN1034           H        ASN1034   0.881  -2.746  -5.828
  931    HA   ASN1034           HA       ASN1034   0.991  -5.262  -7.164
  932   1HB   ASN1034          HB1       ASN1034   2.785  -3.497  -7.302
  933   2HB   ASN1034          HB2       ASN1034   3.261  -3.946  -5.665
  934   1HD2  ASN1034          2HD2      ASN1034   5.282  -4.692  -6.257
  935   2HD2  ASN1034          1HD2      ASN1034   5.519  -6.135  -7.169
  936    H    LEU1035           H        LEU1035   1.251  -4.276  -3.788
  937    HA   LEU1035           HA       LEU1035   2.194  -6.875  -2.913
  938   1HB   LEU1035          HB1       LEU1035   2.862  -4.967  -1.586
  939   2HB   LEU1035          HB2       LEU1035   1.183  -4.469  -1.369
  940    HG   LEU1035           HG       LEU1035   0.888  -6.734  -0.165
  941   1HD1  LEU1035          1HD1      LEU1035   3.884  -6.464  -0.034
  942   2HD1  LEU1035          2HD1      LEU1035   2.906  -7.610   0.881
  943   3HD1  LEU1035          3HD1      LEU1035   2.989  -7.729  -0.876
  944   1HD2  LEU1035          1HD2      LEU1035   2.560  -4.551   1.067
  945   2HD2  LEU1035          2HD2      LEU1035   0.798  -4.592   0.972
  946   3HD2  LEU1035          3HD2      LEU1035   1.658  -5.782   1.950
  947    H    LEU1036           H        LEU1036  -0.947  -5.308  -3.250
  948    HA   LEU1036           HA       LEU1036  -2.350  -7.319  -1.803
  949   1HB   LEU1036          HB1       LEU1036  -4.402  -6.454  -2.773
  950   2HB   LEU1036          HB2       LEU1036  -3.408  -5.149  -2.168
  951    HG   LEU1036           HG       LEU1036  -2.658  -4.919  -4.663
  952   1HD1  LEU1036          1HD1      LEU1036  -3.754  -6.916  -5.512
  953   2HD1  LEU1036          2HD1      LEU1036  -5.315  -6.310  -4.961
  954   3HD1  LEU1036          3HD1      LEU1036  -4.447  -5.469  -6.244
  955   1HD2  LEU1036          1HD2      LEU1036  -3.862  -3.235  -3.389
  956   2HD2  LEU1036          2HD2      LEU1036  -4.499  -3.353  -5.030
  957   3HD2  LEU1036          3HD2      LEU1036  -5.382  -4.078  -3.686
  958    H    ASP1037           H        ASP1037  -1.102  -7.006  -4.980
  959    HA   ASP1037           HA       ASP1037  -2.455  -9.351  -6.000
  960   1HB   ASP1037          HB1       ASP1037  -1.651  -7.558  -7.533
  961   2HB   ASP1037          HB2       ASP1037   0.006  -7.938  -7.072
  962    H    VAL1038           H        VAL1038   0.647  -8.447  -4.706
  963    HA   VAL1038           HA       VAL1038   2.067 -10.787  -4.710
  964    HB   VAL1038           HB       VAL1038   1.897  -8.552  -2.707
  965   1HG1  VAL1038          1HG1      VAL1038   3.783 -10.897  -2.603
  966   2HG1  VAL1038          2HG1      VAL1038   3.907  -9.438  -1.620
  967   3HG1  VAL1038          3HG1      VAL1038   2.522 -10.514  -1.432
  968   1HG2  VAL1038          1HG2      VAL1038   4.013  -9.386  -4.682
  969   2HG2  VAL1038          2HG2      VAL1038   2.899  -8.028  -4.848
  970   3HG2  VAL1038          3HG2      VAL1038   4.122  -8.017  -3.577
  971    H    ILE1039           H        ILE1039  -0.190  -9.726  -2.144
  972    HA   ILE1039           HA       ILE1039   0.235 -12.293  -0.874
  973    HB   ILE1039           HB       ILE1039  -0.839 -11.350   1.111
  974   1HG1  ILE1039          1HG1      ILE1039  -0.929  -8.807  -0.521
  975   2HG1  ILE1039          2HG1      ILE1039  -2.313  -9.698   0.109
  976   1HG2  ILE1039          1HG2      ILE1039   1.428  -9.750  -0.056
  977   2HG2  ILE1039          2HG2      ILE1039   0.987  -9.797   1.650
  978   3HG2  ILE1039          3HG2      ILE1039   1.559 -11.259   0.846
  979   1HD1  ILE1039          1HD1      ILE1039  -1.833  -7.750   1.470
  980   2HD1  ILE1039          2HD1      ILE1039  -1.578  -9.232   2.389
  981   3HD1  ILE1039          3HD1      ILE1039  -0.196  -8.337   1.757
  982    H    ASP1040           H        ASP1040  -2.493 -10.488  -2.318
  983    HA   ASP1040           HA       ASP1040  -4.435 -12.438  -1.880
  984   1HB   ASP1040          HB1       ASP1040  -5.182 -10.623  -3.172
  985   2HB   ASP1040          HB2       ASP1040  -3.840 -10.752  -4.303
  986    H    GLN1041           H        GLN1041  -1.753 -12.391  -4.146
  987    HA   GLN1041           HA       GLN1041  -2.288 -15.075  -5.034
  988   1HB   GLN1041          HB1       GLN1041   0.062 -13.270  -5.535
  989   2HB   GLN1041          HB2       GLN1041  -0.008 -14.937  -6.098
  990   1HG   GLN1041          HG1       GLN1041  -2.198 -14.298  -7.223
  991   2HG   GLN1041          HG2       GLN1041  -1.750 -12.625  -6.894
  992   1HE2  GLN1041          2HE2      GLN1041   1.116 -13.200  -7.286
  993   2HE2  GLN1041          1HE2      GLN1041   1.324 -13.346  -8.999
  994    H    ALA1042           H        ALA1042  -0.363 -13.597  -2.495
  995    HA   ALA1042           HA       ALA1042   1.157 -15.716  -1.674
  996   1HB   ALA1042          HB1       ALA1042   0.859 -14.934   0.623
  997   2HB   ALA1042          HB2       ALA1042   1.136 -13.594  -0.492
  998   3HB   ALA1042          HB3       ALA1042  -0.492 -13.929   0.099
  999    H    ARG1043           H        ARG1043  -2.232 -15.121  -0.756
 1000    HA   ARG1043           HA       ARG1043  -2.771 -17.566   0.433
 1001   1HB   ARG1043          HB1       ARG1043  -4.585 -15.867  -1.283
 1002   2HB   ARG1043          HB2       ARG1043  -5.135 -17.206  -0.283
 1003   1HG   ARG1043          HG1       ARG1043  -3.736 -14.742   0.730
 1004   2HG   ARG1043          HG2       ARG1043  -5.474 -15.044   0.804
 1005   1HD   ARG1043          HD1       ARG1043  -5.157 -16.911   2.242
 1006   2HD   ARG1043          HD2       ARG1043  -3.408 -16.844   2.037
 1007    HE   ARG1043           HE       ARG1043  -3.789 -14.493   3.118
 1008   1HH1  ARG1043          2HH1      ARG1043  -5.289 -17.538   3.964
 1009   2HH1  ARG1043          1HH1      ARG1043  -5.599 -17.076   5.613
 1010   1HH2  ARG1043          2HH2      ARG1043  -4.156 -13.890   5.312
 1011   2HH2  ARG1043          1HH2      ARG1043  -4.937 -15.007   6.387
 1012    H    LEU1044           H        LEU1044  -2.756 -16.725  -2.993
 1013    HA   LEU1044           HA       LEU1044  -3.466 -19.309  -3.943
 1014   1HB   LEU1044          HB1       LEU1044  -3.625 -17.296  -5.307
 1015   2HB   LEU1044          HB2       LEU1044  -1.886 -17.125  -5.296
 1016    HG   LEU1044           HG       LEU1044  -1.716 -19.286  -6.524
 1017   1HD1  LEU1044          1HD1      LEU1044  -4.716 -19.035  -6.702
 1018   2HD1  LEU1044          2HD1      LEU1044  -3.724 -20.201  -7.577
 1019   3HD1  LEU1044          3HD1      LEU1044  -3.829 -20.276  -5.818
 1020   1HD2  LEU1044          1HD2      LEU1044  -2.459 -18.389  -8.675
 1021   2HD2  LEU1044          2HD2      LEU1044  -3.396 -17.153  -7.836
 1022   3HD2  LEU1044          3HD2      LEU1044  -1.637 -17.163  -7.711
 1023    H    LYS1045           H        LYS1045  -0.436 -17.881  -2.931
 1024    HA   LYS1045           HA       LYS1045   1.306 -19.861  -3.979
 1025   1HB   LYS1045          HB1       LYS1045   1.646 -18.168  -1.486
 1026   2HB   LYS1045          HB2       LYS1045   2.920 -19.032  -2.325
 1027   1HG   LYS1045          HG1       LYS1045   1.361 -16.687  -3.334
 1028   2HG   LYS1045          HG2       LYS1045   3.060 -16.732  -2.861
 1029   1HD   LYS1045          HD1       LYS1045   3.682 -17.955  -4.745
 1030   2HD   LYS1045          HD2       LYS1045   2.037 -18.522  -5.040
 1031   1HE   LYS1045          HE1       LYS1045   2.755 -16.833  -6.679
 1032   2HE   LYS1045          HE2       LYS1045   1.363 -16.302  -5.732
 1033   1HZ   LYS1045          HZ1       LYS1045   3.000 -14.543  -5.975
 1034   2HZ   LYS1045          HZ2       LYS1045   2.855 -15.003  -4.350
 1035   3HZ   LYS1045          HZ3       LYS1045   4.188 -15.519  -5.257
 1036    H    MET1046           H        MET1046  -0.387 -19.406  -0.971
 1037    HA   MET1046           HA       MET1046   0.473 -21.698   0.391
 1038   1HB   MET1046          HB1       MET1046  -0.886 -19.794   1.324
 1039   2HB   MET1046          HB2       MET1046  -2.284 -20.472   0.498
 1040   1HG   MET1046          HG1       MET1046  -2.117 -22.494   1.805
 1041   2HG   MET1046          HG2       MET1046  -0.641 -21.901   2.569
 1042   1HE   MET1046          HE1       MET1046  -3.252 -21.799   5.488
 1043   2HE   MET1046          HE2       MET1046  -3.096 -23.004   4.209
 1044   3HE   MET1046          HE3       MET1046  -1.654 -22.353   4.987
 1045    H    ILE1047           H        ILE1047  -2.313 -21.168  -1.739
 1046    HA   ILE1047           HA       ILE1047  -3.197 -23.815  -1.931
 1047    HB   ILE1047           HB       ILE1047  -3.283 -21.595  -3.986
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.460 -21.070  -1.899
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.599 -21.292  -3.222
 1050   1HG2  ILE1047          1HG2      ILE1047  -4.820 -24.186  -3.941
 1051   2HG2  ILE1047          2HG2      ILE1047  -5.072 -22.857  -5.072
 1052   3HG2  ILE1047          3HG2      ILE1047  -3.549 -23.746  -5.082
 1053   1HD1  ILE1047          1HD1      ILE1047  -6.106 -23.534  -2.412
 1054   2HD1  ILE1047          2HD1      ILE1047  -4.952 -23.320  -1.096
 1055   3HD1  ILE1047          3HD1      ILE1047  -6.400 -22.317  -1.171
 1056    H    SER1048           H        SER1048  -0.930 -22.001  -3.981
 1057    HA   SER1048           HA       SER1048  -0.256 -23.760  -5.911
 1058   1HB   SER1048          HB1       SER1048   1.637 -21.996  -4.337
 1059   2HB   SER1048          HB2       SER1048   2.053 -22.781  -5.863
 1060    HG   SER1048           HG       SER1048  -0.117 -20.978  -5.489
 1061    H    GLN1049           H        GLN1049   1.145 -23.855  -2.625
 1062    HA   GLN1049           HA       GLN1049   2.621 -26.252  -3.408
 1063   1HB   GLN1049          HB1       GLN1049   3.846 -24.433  -2.305
 1064   2HB   GLN1049          HB2       GLN1049   2.819 -24.603  -0.890
 1065   1HG   GLN1049          HG1       GLN1049   3.704 -26.750  -0.402
 1066   2HG   GLN1049          HG2       GLN1049   4.543 -26.823  -1.951
 1067   1HE2  GLN1049          2HE2      GLN1049   4.514 -25.405   1.232
 1068   2HE2  GLN1049          1HE2      GLN1049   6.149 -24.832   1.198
 1069    H    SER1050           H        SER1050   0.056 -25.273  -1.179
 1070    HA   SER1050           HA       SER1050   0.179 -27.821   0.209
 1071   1HB   SER1050          HB1       SER1050  -1.868 -25.630   0.584
 1072   2HB   SER1050          HB2       SER1050  -1.432 -26.906   1.721
 1073    HG   SER1050           HG       SER1050  -0.065 -24.561   1.043
 1074    H    ARG1051           H        ARG1051  -1.783 -26.286  -2.249
 1075    HA   ARG1051           HA       ARG1051  -3.205 -28.796  -2.665
 1076   1HB   ARG1051          HB1       ARG1051  -4.606 -27.467  -1.092
 1077   2HB   ARG1051          HB2       ARG1051  -4.674 -26.178  -2.282
 1078   1HG   ARG1051          HG1       ARG1051  -5.840 -27.649  -3.832
 1079   2HG   ARG1051          HG2       ARG1051  -5.755 -28.964  -2.657
 1080   1HD   ARG1051          HD1       ARG1051  -7.055 -27.597  -1.073
 1081   2HD   ARG1051          HD2       ARG1051  -7.178 -26.329  -2.293
 1082    HE   ARG1051           HE       ARG1051  -8.329 -28.154  -3.665
 1083   1HH1  ARG1051          2HH1      ARG1051  -8.488 -27.939  -0.174
 1084   2HH1  ARG1051          1HH1      ARG1051 -10.043 -28.701  -0.072
 1085   1HH2  ARG1051          2HH2      ARG1051 -10.373 -29.165  -3.537
 1086   2HH2  ARG1051          1HH2      ARG1051 -11.106 -29.418  -1.974
 1087    HA   PRO1052           HA       PRO1052  -1.506 -26.536  -6.376
 1088   1HB   PRO1052          HB1       PRO1052  -1.253 -29.335  -7.322
 1089   2HB   PRO1052          HB2       PRO1052  -0.062 -28.031  -7.335
 1090   1HG   PRO1052          HG1       PRO1052   0.142 -30.044  -5.604
 1091   2HG   PRO1052          HG2       PRO1052   0.542 -28.383  -5.123
 1092   1HD   PRO1052          HD1       PRO1052  -1.923 -29.982  -4.551
 1093   2HD   PRO1052          HD2       PRO1052  -1.020 -28.885  -3.486
 1094    H    HIS1053           H        HIS1053  -2.625 -25.912  -8.112
 1095    HA   HIS1053           HA       HIS1053  -4.609 -27.658  -9.313
 1096   1HB   HIS1053          HB1       HIS1053  -5.771 -26.375  -7.473
 1097   2HB   HIS1053          HB2       HIS1053  -5.395 -24.897  -8.353
 1098    HD1  HIS1053           HD1      HIS1053  -7.595 -27.902  -8.418
 1099    HD2  HIS1053           HD2      HIS1053  -6.935 -24.471 -10.672
 1100    HE1  HIS1053           HE1      HIS1053  -9.523 -27.768 -10.027
 1101    HE2  HIS1053           HE2      HIS1053  -8.968 -25.822 -11.533
  Start of MODEL    5
    1   1H    ARG 920           H        ARG 920  -7.509 -18.910  -3.961
    2    HA   ARG 920           HA       ARG 920  -8.396 -19.578  -1.393
    3   1HB   ARG 920          HB1       ARG 920  -6.167 -18.759  -1.729
    4   2HB   ARG 920          HB2       ARG 920  -6.771 -17.228  -2.355
    5   1HG   ARG 920          HG1       ARG 920  -5.997 -16.959  -0.083
    6   2HG   ARG 920          HG2       ARG 920  -7.748 -16.726  -0.174
    7   1HD   ARG 920          HD1       ARG 920  -7.969 -19.163   0.502
    8   2HD   ARG 920          HD2       ARG 920  -6.240 -19.138   0.837
    9    HE   ARG 920           HE       ARG 920  -8.076 -17.269   2.194
   10   1HH1  ARG 920          2HH1      ARG 920  -5.690 -19.836   2.318
   11   2HH1  ARG 920          1HH1      ARG 920  -5.495 -19.760   4.042
   12   1HH2  ARG 920          2HH2      ARG 920  -7.817 -17.151   4.474
   13   2HH2  ARG 920          1HH2      ARG 920  -6.720 -18.246   5.273
   14    H    SER 921           H        SER 921  -9.443 -17.028  -3.543
   15    HA   SER 921           HA       SER 921 -11.116 -15.497  -3.426
   16   1HB   SER 921          HB1       SER 921 -12.451 -17.209  -2.188
   17   2HB   SER 921          HB2       SER 921 -11.785 -16.592  -0.677
   18    HG   SER 921           HG       SER 921 -12.821 -14.652  -1.022
   19    H    ASN 922           H        ASN 922  -8.376 -15.278  -2.354
   20    HA   ASN 922           HA       ASN 922  -7.002 -13.660  -1.555
   21   1HB   ASN 922          HB1       ASN 922  -8.709 -11.392  -1.994
   22   2HB   ASN 922          HB2       ASN 922  -7.260 -11.886  -2.861
   23   1HD2  ASN 922          2HD2      ASN 922  -7.479 -13.522  -4.468
   24   2HD2  ASN 922          1HD2      ASN 922  -8.937 -13.614  -5.403
   25    H    ASP 923           H        ASP 923  -7.413 -14.499   0.528
   26    HA   ASP 923           HA       ASP 923  -9.065 -13.668   2.513
   27   1HB   ASP 923          HB1       ASP 923  -7.277 -15.473   2.489
   28   2HB   ASP 923          HB2       ASP 923  -6.124 -14.212   2.894
   29    H    LYS 924           H        LYS 924  -7.865 -12.590   4.583
   30    HA   LYS 924           HA       LYS 924  -8.269  -9.919   4.515
   31   1HB   LYS 924          HB1       LYS 924  -7.662 -11.555   6.461
   32   2HB   LYS 924          HB2       LYS 924  -6.030 -10.955   6.211
   33   1HG   LYS 924          HG1       LYS 924  -8.192  -8.950   6.516
   34   2HG   LYS 924          HG2       LYS 924  -7.709  -9.860   7.947
   35   1HD   LYS 924          HD1       LYS 924  -5.427  -9.124   7.698
   36   2HD   LYS 924          HD2       LYS 924  -5.810  -8.329   6.171
   37   1HE   LYS 924          HE1       LYS 924  -5.660  -6.729   8.017
   38   2HE   LYS 924          HE2       LYS 924  -7.279  -6.773   7.323
   39   1HZ   LYS 924          HZ1       LYS 924  -6.457  -8.194   9.804
   40   2HZ   LYS 924          HZ2       LYS 924  -7.282  -6.712   9.758
   41   3HZ   LYS 924          HZ3       LYS 924  -8.027  -8.111   9.158
   42    H    VAL 925           H        VAL 925  -5.435 -11.528   3.315
   43    HA   VAL 925           HA       VAL 925  -3.657  -9.447   3.019
   44    HB   VAL 925           HB       VAL 925  -2.873 -10.693   0.950
   45   1HG1  VAL 925          1HG1      VAL 925  -3.171 -12.230   3.531
   46   2HG1  VAL 925          2HG1      VAL 925  -1.997 -12.569   2.261
   47   3HG1  VAL 925          3HG1      VAL 925  -1.909 -11.057   3.164
   48   1HG2  VAL 925          1HG2      VAL 925  -5.021 -11.692   0.337
   49   2HG2  VAL 925          2HG2      VAL 925  -3.790 -12.929   0.596
   50   3HG2  VAL 925          3HG2      VAL 925  -5.014 -12.631   1.830
   51    H    TYR 926           H        TYR 926  -6.348 -10.368   0.715
   52    HA   TYR 926           HA       TYR 926  -5.503  -8.258  -1.108
   53   1HB   TYR 926          HB1       TYR 926  -6.582 -10.014  -2.196
   54   2HB   TYR 926          HB2       TYR 926  -7.810 -10.184  -0.950
   55    HD1  TYR 926           HD1      TYR 926  -6.798  -8.315  -3.941
   56    HD2  TYR 926           HD2      TYR 926  -9.805  -8.823  -0.968
   57    HE1  TYR 926           HE1      TYR 926  -8.360  -6.991  -5.303
   58    HE2  TYR 926           HE2      TYR 926 -11.375  -7.500  -2.324
   59    HH   TYR 926           HH       TYR 926 -10.905  -6.807  -5.531
   60    H    GLU 927           H        GLU 927  -7.637  -8.699   1.568
   61    HA   GLU 927           HA       GLU 927  -9.426  -6.570   1.099
   62   1HB   GLU 927          HB1       GLU 927  -9.162  -8.693   2.899
   63   2HB   GLU 927          HB2       GLU 927  -9.131  -7.242   3.892
   64   1HG   GLU 927          HG1       GLU 927 -11.231  -7.660   1.804
   65   2HG   GLU 927          HG2       GLU 927 -11.382  -8.355   3.415
   66    H    ASN 928           H        ASN 928  -6.703  -6.857   3.401
   67    HA   ASN 928           HA       ASN 928  -7.002  -4.173   4.313
   68   1HB   ASN 928          HB1       ASN 928  -5.902  -6.160   5.528
   69   2HB   ASN 928          HB2       ASN 928  -4.473  -5.780   4.576
   70   1HD2  ASN 928          2HD2      ASN 928  -4.998  -2.874   4.664
   71   2HD2  ASN 928          1HD2      ASN 928  -4.597  -2.381   6.271
   72    H    VAL 929           H        VAL 929  -4.817  -5.734   1.995
   73    HA   VAL 929           HA       VAL 929  -3.263  -3.505   1.412
   74    HB   VAL 929           HB       VAL 929  -2.845  -5.858   0.613
   75   1HG1  VAL 929          1HG1      VAL 929  -5.030  -6.346  -0.284
   76   2HG1  VAL 929          2HG1      VAL 929  -4.834  -5.089  -1.507
   77   3HG1  VAL 929          3HG1      VAL 929  -3.797  -6.517  -1.533
   78   1HG2  VAL 929          1HG2      VAL 929  -1.763  -5.131  -1.473
   79   2HG2  VAL 929          2HG2      VAL 929  -2.675  -3.625  -1.404
   80   3HG2  VAL 929          3HG2      VAL 929  -1.497  -3.997  -0.147
   81    H    THR 930           H        THR 930  -6.459  -4.399   0.183
   82    HA   THR 930           HA       THR 930  -6.676  -2.226  -1.647
   83    HB   THR 930           HB       THR 930  -8.860  -3.763  -0.211
   84    HG1  THR 930           HG1      THR 930  -7.801  -5.176  -1.523
   85   1HG2  THR 930          1HG2      THR 930  -9.650  -1.590  -1.061
   86   2HG2  THR 930          2HG2      THR 930  -9.032  -2.000  -2.661
   87   3HG2  THR 930          3HG2      THR 930 -10.353  -2.937  -1.962
   88    H    GLY 931           H        GLY 931  -7.397  -2.722   1.733
   89   1HA   GLY 931          HA1       GLY 931  -8.543  -0.275   2.403
   90   2HA   GLY 931          HA2       GLY 931  -7.569  -1.255   3.486
   91    H    LEU 932           H        LEU 932  -5.169  -1.044   1.739
   92    HA   LEU 932           HA       LEU 932  -4.086   1.386   2.725
   93   1HB   LEU 932          HB1       LEU 932  -2.848  -0.767   2.023
   94   2HB   LEU 932          HB2       LEU 932  -2.984  -0.163   0.384
   95    HG   LEU 932           HG       LEU 932  -1.586   1.320   2.621
   96   1HD1  LEU 932          1HD1      LEU 932  -0.410  -0.739   2.161
   97   2HD1  LEU 932          2HD1      LEU 932  -0.443  -0.399   0.431
   98   3HD1  LEU 932          3HD1      LEU 932   0.494   0.630   1.515
   99   1HD2  LEU 932          1HD2      LEU 932  -2.384   2.769   0.826
  100   2HD2  LEU 932          2HD2      LEU 932  -0.624   2.652   0.815
  101   3HD2  LEU 932          3HD2      LEU 932  -1.574   1.750  -0.364
  102    H    VAL 933           H        VAL 933  -5.179   0.334  -0.482
  103    HA   VAL 933           HA       VAL 933  -4.814   2.763  -1.821
  104    HB   VAL 933           HB       VAL 933  -7.064   0.820  -2.362
  105   1HG1  VAL 933          1HG1      VAL 933  -7.169   2.922  -3.598
  106   2HG1  VAL 933          2HG1      VAL 933  -5.524   2.665  -4.180
  107   3HG1  VAL 933          3HG1      VAL 933  -6.814   1.567  -4.671
  108   1HG2  VAL 933          1HG2      VAL 933  -5.512  -0.368  -3.845
  109   2HG2  VAL 933          2HG2      VAL 933  -4.198   0.671  -3.295
  110   3HG2  VAL 933          3HG2      VAL 933  -4.984  -0.431  -2.163
  111    H    LYS 934           H        LYS 934  -7.549   1.567   0.079
  112    HA   LYS 934           HA       LYS 934  -9.193   3.842  -0.331
  113   1HB   LYS 934          HB1       LYS 934  -9.267   1.967   2.041
  114   2HB   LYS 934          HB2       LYS 934 -10.566   2.997   1.469
  115   1HG   LYS 934          HG1       LYS 934  -9.426   0.628  -0.002
  116   2HG   LYS 934          HG2       LYS 934 -10.930   0.648   0.915
  117   1HD   LYS 934          HD1       LYS 934 -11.671   0.925  -1.265
  118   2HD   LYS 934          HD2       LYS 934 -11.584   2.589  -0.685
  119   1HE   LYS 934          HE1       LYS 934  -9.514   2.952  -1.808
  120   2HE   LYS 934          HE2       LYS 934  -9.357   1.240  -2.203
  121   1HZ   LYS 934          HZ1       LYS 934 -11.410   1.496  -3.567
  122   2HZ   LYS 934          HZ2       LYS 934 -11.330   3.167  -3.308
  123   3HZ   LYS 934          HZ3       LYS 934 -10.082   2.381  -4.139
  124    H    ALA 935           H        ALA 935  -6.466   3.251   1.678
  125    HA   ALA 935           HA       ALA 935  -7.044   5.449   3.449
  126   1HB   ALA 935          HB1       ALA 935  -4.494   3.905   3.080
  127   2HB   ALA 935          HB2       ALA 935  -4.839   5.053   4.373
  128   3HB   ALA 935          HB3       ALA 935  -5.759   3.552   4.256
  129    H    VAL 936           H        VAL 936  -5.345   4.951   0.429
  130    HA   VAL 936           HA       VAL 936  -4.384   7.664   0.559
  131    HB   VAL 936           HB       VAL 936  -2.932   6.073  -0.566
  132   1HG1  VAL 936          1HG1      VAL 936  -3.490   5.106  -2.721
  133   2HG1  VAL 936          2HG1      VAL 936  -4.655   4.588  -1.501
  134   3HG1  VAL 936          3HG1      VAL 936  -5.093   5.839  -2.665
  135   1HG2  VAL 936          1HG2      VAL 936  -2.530   7.350  -2.644
  136   2HG2  VAL 936          2HG2      VAL 936  -4.064   8.185  -2.402
  137   3HG2  VAL 936          3HG2      VAL 936  -2.762   8.380  -1.230
  138    H    ILE 937           H        ILE 937  -7.295   6.104  -0.334
  139    HA   ILE 937           HA       ILE 937  -8.198   8.455  -1.751
  140    HB   ILE 937           HB       ILE 937 -10.326   7.536  -1.972
  141   1HG1  ILE 937          1HG1      ILE 937  -9.782   5.512   0.196
  142   2HG1  ILE 937          2HG1      ILE 937 -10.639   7.029   0.469
  143   1HG2  ILE 937          1HG2      ILE 937  -8.458   5.188  -1.860
  144   2HG2  ILE 937          2HG2      ILE 937 -10.003   5.234  -2.708
  145   3HG2  ILE 937          3HG2      ILE 937  -8.682   6.282  -3.226
  146   1HD1  ILE 937          1HD1      ILE 937 -12.366   6.335  -1.101
  147   2HD1  ILE 937          2HD1      ILE 937 -11.499   4.829  -1.400
  148   3HD1  ILE 937          3HD1      ILE 937 -12.170   5.159   0.197
  149    H    GLU 938           H        GLU 938  -8.201   7.182   1.526
  150    HA   GLU 938           HA       GLU 938  -9.439   9.286   2.858
  151   1HB   GLU 938          HB1       GLU 938  -6.912   7.801   3.639
  152   2HB   GLU 938          HB2       GLU 938  -7.805   8.874   4.709
  153   1HG   GLU 938          HG1       GLU 938  -9.797   7.413   4.445
  154   2HG   GLU 938          HG2       GLU 938  -8.810   6.306   3.493
  155    H    MET 939           H        MET 939  -6.242   9.023   1.471
  156    HA   MET 939           HA       MET 939  -5.173  11.460   2.278
  157   1HB   MET 939          HB1       MET 939  -3.687   9.942   1.277
  158   2HB   MET 939          HB2       MET 939  -4.726   9.695  -0.115
  159   1HG   MET 939          HG1       MET 939  -3.466  12.362   0.362
  160   2HG   MET 939          HG2       MET 939  -2.534  11.050  -0.351
  161   1HE   MET 939          HE1       MET 939  -3.320  13.316  -3.443
  162   2HE   MET 939          HE2       MET 939  -2.965  13.840  -1.796
  163   3HE   MET 939          HE3       MET 939  -2.060  12.506  -2.511
  164    H    SER 940           H        SER 940  -7.149  10.686  -0.571
  165    HA   SER 940           HA       SER 940  -7.159  13.327  -1.581
  166   1HB   SER 940          HB1       SER 940  -9.188  11.126  -2.035
  167   2HB   SER 940          HB2       SER 940  -8.952  12.555  -3.043
  168    HG   SER 940           HG       SER 940  -6.610  11.267  -2.703
  169    H    SER 941           H        SER 941  -8.995  11.746   0.927
  170    HA   SER 941           HA       SER 941 -11.202  13.626   0.778
  171   1HB   SER 941          HB1       SER 941 -10.587  11.541   2.894
  172   2HB   SER 941          HB2       SER 941 -12.116  12.391   2.676
  173    HG   SER 941           HG       SER 941 -10.903  10.622   0.803
  174    H    LYS 942           H        LYS 942  -8.537  12.787   2.839
  175    HA   LYS 942           HA       LYS 942  -8.835  14.582   4.916
  176   1HB   LYS 942          HB1       LYS 942  -7.079  12.598   4.188
  177   2HB   LYS 942          HB2       LYS 942  -6.076  14.035   4.081
  178   1HG   LYS 942          HG1       LYS 942  -7.701  13.393   6.514
  179   2HG   LYS 942          HG2       LYS 942  -6.064  12.782   6.274
  180   1HD   LYS 942          HD1       LYS 942  -5.271  15.087   6.026
  181   2HD   LYS 942          HD2       LYS 942  -6.910  15.664   6.350
  182   1HE   LYS 942          HE1       LYS 942  -5.181  14.040   8.221
  183   2HE   LYS 942          HE2       LYS 942  -5.534  15.760   8.367
  184   1HZ   LYS 942          HZ1       LYS 942  -7.671  13.712   8.373
  185   2HZ   LYS 942          HZ2       LYS 942  -6.888  14.198   9.792
  186   3HZ   LYS 942          HZ3       LYS 942  -7.766  15.327   8.879
  187    H    ILE 943           H        ILE 943  -7.083  14.924   1.833
  188    HA   ILE 943           HA       ILE 943  -5.958  17.442   2.469
  189    HB   ILE 943           HB       ILE 943  -5.033  15.936   0.731
  190   1HG1  ILE 943          1HG1      ILE 943  -5.773  18.691  -0.280
  191   2HG1  ILE 943          2HG1      ILE 943  -4.425  18.324   0.789
  192   1HG2  ILE 943          1HG2      ILE 943  -6.017  15.872  -1.495
  193   2HG2  ILE 943          2HG2      ILE 943  -7.137  15.228  -0.294
  194   3HG2  ILE 943          3HG2      ILE 943  -7.370  16.854  -0.936
  195   1HD1  ILE 943          1HD1      ILE 943  -3.391  16.988  -0.969
  196   2HD1  ILE 943          2HD1      ILE 943  -4.746  17.348  -2.039
  197   3HD1  ILE 943          3HD1      ILE 943  -3.680  18.646  -1.500
  198    H    GLN 944           H        GLN 944  -9.034  16.509   1.031
  199    HA   GLN 944           HA       GLN 944  -9.789  18.844  -0.212
  200   1HB   GLN 944          HB1       GLN 944 -11.498  16.947   1.391
  201   2HB   GLN 944          HB2       GLN 944 -12.150  18.234   0.386
  202   1HG   GLN 944          HG1       GLN 944 -11.166  17.243  -1.582
  203   2HG   GLN 944          HG2       GLN 944 -10.400  15.996  -0.600
  204   1HE2  GLN 944          2HE2      GLN 944 -11.400  14.323  -1.638
  205   2HE2  GLN 944          1HE2      GLN 944 -13.091  13.986  -1.487
  206    HA   PRO 945           HA       PRO 945 -10.976  21.074   3.701
  207   1HB   PRO 945          HB1       PRO 945 -11.619  19.879   5.988
  208   2HB   PRO 945          HB2       PRO 945 -12.702  19.803   4.593
  209   1HG   PRO 945          HG1       PRO 945 -10.943  17.709   5.734
  210   2HG   PRO 945          HG2       PRO 945 -12.471  17.541   4.856
  211   1HD   PRO 945          HD1       PRO 945  -9.819  17.284   3.825
  212   2HD   PRO 945          HD2       PRO 945 -11.345  17.189   2.928
  213    H    ALA 946           H        ALA 946  -8.206  20.056   3.286
  214    HA   ALA 946           HA       ALA 946  -7.145  20.442   6.014
  215   1HB   ALA 946          HB1       ALA 946  -5.903  18.798   3.821
  216   2HB   ALA 946          HB2       ALA 946  -5.284  19.009   5.459
  217   3HB   ALA 946          HB3       ALA 946  -6.805  18.156   5.194
  218    HA   PRO 947           HA       PRO 947  -4.382  23.475   4.152
  219   1HB   PRO 947          HB1       PRO 947  -3.271  24.317   6.431
  220   2HB   PRO 947          HB2       PRO 947  -4.944  24.733   6.047
  221   1HG   PRO 947          HG1       PRO 947  -3.883  22.688   7.935
  222   2HG   PRO 947          HG2       PRO 947  -5.308  23.729   8.091
  223   1HD   PRO 947          HD1       PRO 947  -5.297  21.053   7.260
  224   2HD   PRO 947          HD2       PRO 947  -6.636  22.200   7.073
  225    HA   PRO 948           HA       PRO 948  -0.381  21.449   3.911
  226   1HB   PRO 948          HB1       PRO 948   1.326  23.086   5.422
  227   2HB   PRO 948          HB2       PRO 948   1.014  23.217   3.689
  228   1HG   PRO 948          HG1       PRO 948  -0.181  24.746   5.951
  229   2HG   PRO 948          HG2       PRO 948   0.221  25.289   4.313
  230   1HD   PRO 948          HD1       PRO 948  -2.311  24.815   5.025
  231   2HD   PRO 948          HD2       PRO 948  -1.720  24.383   3.405
  232    H    GLU 949           H        GLU 949  -1.266  22.611   7.086
  233    HA   GLU 949           HA       GLU 949   0.350  21.065   8.712
  234   1HB   GLU 949          HB1       GLU 949  -2.491  21.997   9.124
  235   2HB   GLU 949          HB2       GLU 949  -1.496  21.291  10.393
  236   1HG   GLU 949          HG1       GLU 949   0.051  23.099  10.285
  237   2HG   GLU 949          HG2       GLU 949  -0.728  23.750   8.843
  238    H    GLU 950           H        GLU 950  -2.815  20.227   7.281
  239    HA   GLU 950           HA       GLU 950  -2.446  17.488   8.221
  240   1HB   GLU 950          HB1       GLU 950  -4.791  18.890   6.989
  241   2HB   GLU 950          HB2       GLU 950  -4.695  17.129   7.028
  242   1HG   GLU 950          HG1       GLU 950  -6.012  17.895   8.874
  243   2HG   GLU 950          HG2       GLU 950  -4.500  17.225   9.479
  244    H    TYR 951           H        TYR 951  -1.406  19.198   5.645
  245    HA   TYR 951           HA       TYR 951  -1.979  17.500   3.486
  246   1HB   TYR 951          HB1       TYR 951   0.228  19.439   4.051
  247   2HB   TYR 951          HB2       TYR 951   0.376  18.350   2.678
  248    HD1  TYR 951           HD1      TYR 951   0.509  20.895   1.777
  249    HD2  TYR 951           HD2      TYR 951  -3.027  18.889   3.029
  250    HE1  TYR 951           HE1      TYR 951  -0.831  22.419   0.397
  251    HE2  TYR 951           HE2      TYR 951  -4.384  20.413   1.656
  252    HH   TYR 951           HH       TYR 951  -4.271  22.577   0.624
  253    H    VAL 952           H        VAL 952   0.765  17.492   5.778
  254    HA   VAL 952           HA       VAL 952   1.652  14.987   4.677
  255    HB   VAL 952           HB       VAL 952   3.479  16.134   5.453
  256   1HG1  VAL 952          1HG1      VAL 952   2.390  17.851   6.758
  257   2HG1  VAL 952          2HG1      VAL 952   2.033  16.697   8.043
  258   3HG1  VAL 952          3HG1      VAL 952   3.705  17.137   7.690
  259   1HG2  VAL 952          1HG2      VAL 952   4.411  14.864   7.326
  260   2HG2  VAL 952          2HG2      VAL 952   2.809  14.228   7.692
  261   3HG2  VAL 952          3HG2      VAL 952   3.590  13.822   6.163
  262    HA   PRO 953           HA       PRO 953  -0.630  13.174   8.761
  263   1HB   PRO 953          HB1       PRO 953  -2.795  15.184   8.412
  264   2HB   PRO 953          HB2       PRO 953  -2.324  14.287   9.869
  265   1HG   PRO 953          HG1       PRO 953  -1.566  16.791   9.621
  266   2HG   PRO 953          HG2       PRO 953  -0.405  15.578  10.194
  267   1HD   PRO 953          HD1       PRO 953  -0.621  16.870   7.507
  268   2HD   PRO 953          HD2       PRO 953   0.827  16.410   8.424
  269    H    MET 954           H        MET 954  -2.076  14.761   5.960
  270    HA   MET 954           HA       MET 954  -4.110  12.961   5.395
  271   1HB   MET 954          HB1       MET 954  -3.966  14.960   4.116
  272   2HB   MET 954          HB2       MET 954  -2.303  14.634   3.650
  273   1HG   MET 954          HG1       MET 954  -3.230  12.621   2.416
  274   2HG   MET 954          HG2       MET 954  -4.813  13.360   2.650
  275   1HE   MET 954          HE1       MET 954  -1.377  15.175   0.172
  276   2HE   MET 954          HE2       MET 954  -1.261  14.911   1.913
  277   3HE   MET 954          HE3       MET 954  -1.376  13.533   0.819
  278    H    VAL 955           H        VAL 955  -0.843  13.033   4.039
  279    HA   VAL 955           HA       VAL 955  -0.772  10.447   3.068
  280    HB   VAL 955           HB       VAL 955   1.584  11.938   4.216
  281   1HG1  VAL 955          1HG1      VAL 955   1.405   9.722   2.177
  282   2HG1  VAL 955          2HG1      VAL 955   2.879  10.573   2.639
  283   3HG1  VAL 955          3HG1      VAL 955   2.030   9.575   3.819
  284   1HG2  VAL 955          1HG2      VAL 955   0.395  13.287   2.575
  285   2HG2  VAL 955          2HG2      VAL 955   1.936  12.728   1.923
  286   3HG2  VAL 955          3HG2      VAL 955   0.434  11.947   1.428
  287    H    LYS 956           H        LYS 956  -0.439  11.561   6.362
  288    HA   LYS 956           HA       LYS 956   0.767   9.270   7.482
  289   1HB   LYS 956          HB1       LYS 956   0.438  11.358   8.736
  290   2HB   LYS 956          HB2       LYS 956  -1.300  11.109   8.697
  291   1HG   LYS 956          HG1       LYS 956  -0.951   9.009  10.003
  292   2HG   LYS 956          HG2       LYS 956   0.747   9.466  10.167
  293   1HD   LYS 956          HD1       LYS 956   0.119  11.521  11.288
  294   2HD   LYS 956          HD2       LYS 956  -1.591  11.154  11.056
  295   1HE   LYS 956          HE1       LYS 956  -1.244   9.086  12.415
  296   2HE   LYS 956          HE2       LYS 956   0.391   9.653  12.761
  297   1HZ   LYS 956          HZ1       LYS 956  -1.098  10.264  14.543
  298   2HZ   LYS 956          HZ2       LYS 956  -0.582  11.663  13.738
  299   3HZ   LYS 956          HZ3       LYS 956  -2.135  11.051  13.459
  300    H    GLU 957           H        GLU 957  -2.585  10.047   6.740
  301    HA   GLU 957           HA       GLU 957  -3.793   7.760   7.748
  302   1HB   GLU 957          HB1       GLU 957  -4.613   9.336   5.298
  303   2HB   GLU 957          HB2       GLU 957  -5.628   8.172   6.141
  304   1HG   GLU 957          HG1       GLU 957  -5.212   9.638   8.214
  305   2HG   GLU 957          HG2       GLU 957  -4.688  10.856   7.054
  306    H    VAL 958           H        VAL 958  -2.439   8.252   4.446
  307    HA   VAL 958           HA       VAL 958  -2.913   5.508   3.784
  308    HB   VAL 958           HB       VAL 958  -2.738   7.275   2.047
  309   1HG1  VAL 958          1HG1      VAL 958  -0.533   7.991   1.272
  310   2HG1  VAL 958          2HG1      VAL 958  -0.861   8.535   2.917
  311   3HG1  VAL 958          3HG1      VAL 958   0.212   7.163   2.640
  312   1HG2  VAL 958          1HG2      VAL 958  -0.813   4.977   1.736
  313   2HG2  VAL 958          2HG2      VAL 958  -2.555   4.921   1.463
  314   3HG2  VAL 958          3HG2      VAL 958  -1.530   5.912   0.424
  315    H    GLY 959           H        GLY 959  -0.348   7.148   5.463
  316   1HA   GLY 959          HA1       GLY 959   1.637   5.119   5.108
  317   2HA   GLY 959          HA2       GLY 959   1.624   6.343   6.370
  318    H    LEU 960           H        LEU 960  -0.643   5.827   7.728
  319    HA   LEU 960           HA       LEU 960  -0.220   3.538   9.263
  320   1HB   LEU 960          HB1       LEU 960  -2.726   5.153   8.811
  321   2HB   LEU 960          HB2       LEU 960  -2.604   3.877  10.009
  322    HG   LEU 960           HG       LEU 960  -0.879   6.354   9.969
  323   1HD1  LEU 960          1HD1      LEU 960  -3.259   5.672  11.690
  324   2HD1  LEU 960          2HD1      LEU 960  -2.216   7.083  11.879
  325   3HD1  LEU 960          3HD1      LEU 960  -3.208   6.907  10.432
  326   1HD2  LEU 960          1HD2      LEU 960   0.176   4.400  11.005
  327   2HD2  LEU 960          2HD2      LEU 960  -0.217   5.636  12.202
  328   3HD2  LEU 960          3HD2      LEU 960  -1.229   4.199  12.051
  329    H    ALA 961           H        ALA 961  -1.837   3.950   6.273
  330    HA   ALA 961           HA       ALA 961  -3.348   1.588   6.148
  331   1HB   ALA 961          HB1       ALA 961  -1.893   2.898   3.865
  332   2HB   ALA 961          HB2       ALA 961  -3.254   1.781   3.751
  333   3HB   ALA 961          HB3       ALA 961  -3.480   3.376   4.468
  334    H    LEU 962           H        LEU 962  -0.021   2.147   4.872
  335    HA   LEU 962           HA       LEU 962   0.437  -0.585   4.394
  336   1HB   LEU 962          HB1       LEU 962   1.809   0.957   3.253
  337   2HB   LEU 962          HB2       LEU 962   2.294   1.749   4.747
  338    HG   LEU 962           HG       LEU 962   3.553  -0.278   5.394
  339   1HD1  LEU 962          1HD1      LEU 962   2.235  -1.923   4.174
  340   2HD1  LEU 962          2HD1      LEU 962   2.805  -1.256   2.643
  341   3HD1  LEU 962          3HD1      LEU 962   3.943  -2.032   3.746
  342   1HD2  LEU 962          1HD2      LEU 962   4.268   0.854   2.695
  343   2HD2  LEU 962          2HD2      LEU 962   4.696   1.538   4.264
  344   3HD2  LEU 962          3HD2      LEU 962   5.360  -0.018   3.770
  345    H    ARG 963           H        ARG 963   1.092   1.407   7.304
  346    HA   ARG 963           HA       ARG 963   2.315  -0.489   8.884
  347   1HB   ARG 963          HB1       ARG 963   1.976   1.760   9.664
  348   2HB   ARG 963          HB2       ARG 963   0.230   1.576   9.599
  349   1HG   ARG 963          HG1       ARG 963   0.938   1.485  11.879
  350   2HG   ARG 963          HG2       ARG 963   0.384  -0.116  11.396
  351   1HD   ARG 963          HD1       ARG 963   2.714  -0.810  11.062
  352   2HD   ARG 963          HD2       ARG 963   3.256   0.791  11.569
  353    HE   ARG 963           HE       ARG 963   1.619  -0.806  13.412
  354   1HH1  ARG 963          2HH1      ARG 963   4.736   0.560  12.573
  355   2HH1  ARG 963          1HH1      ARG 963   5.382   0.405  14.181
  356   1HH2  ARG 963          2HH2      ARG 963   2.480  -1.039  15.525
  357   2HH2  ARG 963          1HH2      ARG 963   4.119  -0.539  15.843
  358    H    THR 964           H        THR 964  -1.202   0.077   8.793
  359    HA   THR 964           HA       THR 964  -1.993  -2.240  10.112
  360    HB   THR 964           HB       THR 964  -3.525  -0.983   7.830
  361    HG1  THR 964           HG1      THR 964  -3.162   0.738   9.103
  362   1HG2  THR 964          1HG2      THR 964  -4.485  -3.054   8.733
  363   2HG2  THR 964          2HG2      THR 964  -4.438  -2.366  10.357
  364   3HG2  THR 964          3HG2      THR 964  -5.487  -1.657   9.129
  365    H    LEU 965           H        LEU 965  -1.260  -1.732   6.703
  366    HA   LEU 965           HA       LEU 965  -1.951  -4.292   5.769
  367   1HB   LEU 965          HB1       LEU 965  -1.598  -2.405   4.272
  368   2HB   LEU 965          HB2       LEU 965   0.095  -2.344   4.725
  369    HG   LEU 965           HG       LEU 965   0.465  -4.536   3.698
  370   1HD1  LEU 965          1HD1      LEU 965  -2.432  -4.350   2.886
  371   2HD1  LEU 965          2HD1      LEU 965  -1.285  -5.583   2.360
  372   3HD1  LEU 965          3HD1      LEU 965  -1.756  -5.482   4.056
  373   1HD2  LEU 965          1HD2      LEU 965   0.776  -2.525   2.367
  374   2HD2  LEU 965          2HD2      LEU 965   0.171  -3.853   1.375
  375   3HD2  LEU 965          3HD2      LEU 965  -0.922  -2.568   1.890
  376    H    LEU 966           H        LEU 966   0.851  -3.087   7.430
  377    HA   LEU 966           HA       LEU 966   2.665  -5.164   6.850
  378   1HB   LEU 966          HB1       LEU 966   3.331  -3.044   7.906
  379   2HB   LEU 966          HB2       LEU 966   2.448  -3.487   9.354
  380    HG   LEU 966           HG       LEU 966   3.996  -5.426   9.642
  381   1HD1  LEU 966          1HD1      LEU 966   6.082  -5.457   8.386
  382   2HD1  LEU 966          2HD1      LEU 966   4.699  -5.654   7.310
  383   3HD1  LEU 966          3HD1      LEU 966   5.525  -4.100   7.406
  384   1HD2  LEU 966          1HD2      LEU 966   5.256  -2.688   9.531
  385   2HD2  LEU 966          2HD2      LEU 966   4.344  -3.368  10.879
  386   3HD2  LEU 966          3HD2      LEU 966   5.893  -4.074  10.419
  387    H    ALA 967           H        ALA 967   0.083  -4.862   9.223
  388    HA   ALA 967           HA       ALA 967   0.543  -7.279  10.600
  389   1HB   ALA 967          HB1       ALA 967  -1.803  -7.177  11.248
  390   2HB   ALA 967          HB2       ALA 967  -1.054  -5.585  11.376
  391   3HB   ALA 967          HB3       ALA 967  -2.107  -5.958  10.010
  392    H    THR 968           H        THR 968  -1.222  -6.543   7.633
  393    HA   THR 968           HA       THR 968  -2.021  -9.215   7.065
  394    HB   THR 968           HB       THR 968  -1.749  -6.734   5.402
  395    HG1  THR 968           HG1      THR 968  -4.056  -8.290   5.555
  396   1HG2  THR 968          1HG2      THR 968  -1.082  -8.545   3.912
  397   2HG2  THR 968          2HG2      THR 968  -2.514  -9.466   4.371
  398   3HG2  THR 968          3HG2      THR 968  -2.686  -7.951   3.485
  399    H    VAL 969           H        VAL 969   0.812  -7.308   6.208
  400    HA   VAL 969           HA       VAL 969   2.147  -9.128   4.593
  401    HB   VAL 969           HB       VAL 969   3.341  -7.206   6.604
  402   1HG1  VAL 969          1HG1      VAL 969   4.666  -8.655   4.314
  403   2HG1  VAL 969          2HG1      VAL 969   5.404  -7.373   5.274
  404   3HG1  VAL 969          3HG1      VAL 969   4.976  -8.906   6.032
  405   1HG2  VAL 969          1HG2      VAL 969   3.667  -5.741   4.689
  406   2HG2  VAL 969          2HG2      VAL 969   2.920  -6.935   3.629
  407   3HG2  VAL 969          3HG2      VAL 969   1.961  -6.143   4.881
  408    H    ASP 970           H        ASP 970   1.708  -9.094   8.057
  409    HA   ASP 970           HA       ASP 970   3.589 -11.202   8.589
  410   1HB   ASP 970          HB1       ASP 970   3.061  -9.524  10.301
  411   2HB   ASP 970          HB2       ASP 970   1.379 -10.038  10.300
  412    H    GLU 971           H        GLU 971   0.261 -11.053   7.721
  413    HA   GLU 971           HA       GLU 971  -0.334 -13.805   8.276
  414   1HB   GLU 971          HB1       GLU 971  -1.536 -12.075   6.100
  415   2HB   GLU 971          HB2       GLU 971  -2.249 -13.508   6.827
  416   1HG   GLU 971          HG1       GLU 971  -1.702 -10.916   8.249
  417   2HG   GLU 971          HG2       GLU 971  -3.277 -11.441   7.634
  418    H    SER 972           H        SER 972   0.593 -11.998   5.429
  419    HA   SER 972           HA       SER 972   0.998 -14.165   3.687
  420   1HB   SER 972          HB1       SER 972   0.640 -11.886   2.901
  421   2HB   SER 972          HB2       SER 972   2.151 -11.370   3.660
  422    HG   SER 972           HG       SER 972   3.231 -12.851   2.253
  423    H    LEU 973           H        LEU 973   2.907 -12.812   6.220
  424    HA   LEU 973           HA       LEU 973   5.475 -13.474   5.325
  425   1HB   LEU 973          HB1       LEU 973   4.850 -11.936   7.234
  426   2HB   LEU 973          HB2       LEU 973   4.580 -13.364   8.210
  427    HG   LEU 973           HG       LEU 973   7.250 -12.879   6.917
  428   1HD1  LEU 973          1HD1      LEU 973   6.747 -10.851   8.145
  429   2HD1  LEU 973          2HD1      LEU 973   6.283 -11.795   9.561
  430   3HD1  LEU 973          3HD1      LEU 973   7.959 -11.796   9.011
  431   1HD2  LEU 973          1HD2      LEU 973   8.033 -14.206   8.834
  432   2HD2  LEU 973          2HD2      LEU 973   6.368 -14.359   9.395
  433   3HD2  LEU 973          3HD2      LEU 973   6.852 -15.086   7.862
  434    HA   PRO 974           HA       PRO 974   5.182 -17.738   7.626
  435   1HB   PRO 974          HB1       PRO 974   2.237 -18.124   7.655
  436   2HB   PRO 974          HB2       PRO 974   3.446 -18.617   8.848
  437   1HG   PRO 974          HG1       PRO 974   1.824 -16.560   9.326
  438   2HG   PRO 974          HG2       PRO 974   3.526 -16.517   9.826
  439   1HD   PRO 974          HD1       PRO 974   2.202 -15.209   7.484
  440   2HD   PRO 974          HD2       PRO 974   3.454 -14.574   8.570
  441    H    VAL 975           H        VAL 975   2.821 -16.502   5.341
  442    HA   VAL 975           HA       VAL 975   2.850 -18.913   3.735
  443    HB   VAL 975           HB       VAL 975   2.035 -16.225   2.680
  444   1HG1  VAL 975          1HG1      VAL 975   1.079 -19.039   2.158
  445   2HG1  VAL 975          2HG1      VAL 975   0.451 -17.581   1.389
  446   3HG1  VAL 975          3HG1      VAL 975   2.118 -18.081   1.106
  447   1HG2  VAL 975          1HG2      VAL 975  -0.232 -16.684   3.538
  448   2HG2  VAL 975          2HG2      VAL 975   0.406 -18.059   4.439
  449   3HG2  VAL 975          3HG2      VAL 975   0.940 -16.425   4.832
  450    H    LEU 976           H        LEU 976   5.090 -16.368   4.148
  451    HA   LEU 976           HA       LEU 976   6.032 -16.407   1.450
  452   1HB   LEU 976          HB1       LEU 976   7.587 -14.767   1.967
  453   2HB   LEU 976          HB2       LEU 976   6.189 -14.389   2.937
  454    HG   LEU 976           HG       LEU 976   7.507 -15.572   4.855
  455   1HD1  LEU 976          1HD1      LEU 976   9.755 -14.833   2.981
  456   2HD1  LEU 976          2HD1      LEU 976   9.930 -15.328   4.665
  457   3HD1  LEU 976          3HD1      LEU 976   9.311 -16.469   3.471
  458   1HD2  LEU 976          1HD2      LEU 976   8.340 -12.888   3.762
  459   2HD2  LEU 976          2HD2      LEU 976   6.931 -13.198   4.776
  460   3HD2  LEU 976          3HD2      LEU 976   8.553 -13.444   5.423
  461    HA   PRO 977           HA       PRO 977   9.536 -19.244   3.127
  462   1HB   PRO 977          HB1       PRO 977   8.262 -20.638   5.385
  463   2HB   PRO 977          HB2       PRO 977   9.889 -19.958   5.266
  464   1HG   PRO 977          HG1       PRO 977   8.011 -18.834   6.809
  465   2HG   PRO 977          HG2       PRO 977   9.203 -17.855   5.930
  466   1HD   PRO 977          HD1       PRO 977   6.351 -18.451   5.219
  467   2HD   PRO 977          HD2       PRO 977   7.224 -16.907   5.154
  468    H    ALA 978           H        ALA 978   6.123 -19.971   3.616
  469    HA   ALA 978           HA       ALA 978   6.097 -22.546   2.517
  470   1HB   ALA 978          HB1       ALA 978   3.956 -20.425   2.317
  471   2HB   ALA 978          HB2       ALA 978   3.733 -22.158   2.076
  472   3HB   ALA 978          HB3       ALA 978   4.173 -21.539   3.668
  473    H    SER 979           H        SER 979   5.532 -19.394   0.904
  474    HA   SER 979           HA       SER 979   6.749 -20.312  -1.533
  475   1HB   SER 979          HB1       SER 979   3.744 -20.101  -1.303
  476   2HB   SER 979          HB2       SER 979   4.573 -19.988  -2.862
  477    HG   SER 979           HG       SER 979   5.437 -22.112  -1.394
  478    H    THR 980           H        THR 980   4.683 -17.915   0.003
  479    HA   THR 980           HA       THR 980   4.501 -15.954  -1.896
  480    HB   THR 980           HB       THR 980   4.676 -15.627   1.087
  481    HG1  THR 980           HG1      THR 980   2.438 -15.816   0.953
  482   1HG2  THR 980          1HG2      THR 980   4.997 -13.483  -0.036
  483   2HG2  THR 980          2HG2      THR 980   3.548 -13.763  -1.001
  484   3HG2  THR 980          3HG2      THR 980   3.419 -13.552   0.746
  485    H    HIS 981           H        HIS 981   7.443 -16.562  -0.041
  486    HA   HIS 981           HA       HIS 981   8.248 -13.990   0.426
  487   1HB   HIS 981          HB1       HIS 981  10.407 -14.748   0.875
  488   2HB   HIS 981          HB2       HIS 981   9.379 -16.131   1.207
  489    HD1  HIS 981           HD1      HIS 981  12.068 -14.903  -1.050
  490    HD2  HIS 981           HD2      HIS 981   9.747 -18.324  -0.530
  491    HE1  HIS 981           HE1      HIS 981  13.162 -16.693  -2.443
  492    HE2  HIS 981           HE2      HIS 981  11.840 -18.789  -1.980
  493    H    ARG 982           H        ARG 982   8.833 -15.772  -2.598
  494    HA   ARG 982           HA       ARG 982  10.415 -13.911  -3.883
  495   1HB   ARG 982          HB1       ARG 982   8.208 -15.577  -5.094
  496   2HB   ARG 982          HB2       ARG 982   9.395 -14.678  -6.030
  497   1HG   ARG 982          HG1       ARG 982  11.003 -16.117  -4.390
  498   2HG   ARG 982          HG2       ARG 982   9.646 -17.225  -4.605
  499   1HD   ARG 982          HD1       ARG 982  11.291 -15.938  -6.781
  500   2HD   ARG 982          HD2       ARG 982  11.316 -17.635  -6.309
  501    HE   ARG 982           HE       ARG 982   8.802 -17.465  -7.006
  502   1HH1  ARG 982          2HH1      ARG 982  11.542 -15.938  -8.578
  503   2HH1  ARG 982          1HH1      ARG 982  10.804 -15.959 -10.154
  504   1HH2  ARG 982          2HH2      ARG 982   7.838 -17.478  -9.054
  505   2HH2  ARG 982          1HH2      ARG 982   8.695 -16.846 -10.431
  506    H    GLU 983           H        GLU 983   6.834 -13.933  -3.864
  507    HA   GLU 983           HA       GLU 983   6.672 -11.483  -5.296
  508   1HB   GLU 983          HB1       GLU 983   4.845 -13.406  -4.810
  509   2HB   GLU 983          HB2       GLU 983   4.375 -12.232  -3.595
  510   1HG   GLU 983          HG1       GLU 983   3.170 -11.341  -5.253
  511   2HG   GLU 983          HG2       GLU 983   4.722 -10.633  -5.746
  512    H    ILE 984           H        ILE 984   6.263 -12.301  -1.850
  513    HA   ILE 984           HA       ILE 984   5.370  -9.747  -1.100
  514    HB   ILE 984           HB       ILE 984   5.089 -11.733   0.333
  515   1HG1  ILE 984          1HG1      ILE 984   5.712 -10.636   2.507
  516   2HG1  ILE 984          2HG1      ILE 984   6.573  -9.407   1.585
  517   1HG2  ILE 984          1HG2      ILE 984   8.021 -11.416   0.975
  518   2HG2  ILE 984          2HG2      ILE 984   6.903 -12.593   1.667
  519   3HG2  ILE 984          3HG2      ILE 984   7.333 -12.684  -0.039
  520   1HD1  ILE 984          1HD1      ILE 984   4.482  -8.761   0.508
  521   2HD1  ILE 984          2HD1      ILE 984   3.627  -9.989   1.442
  522   3HD1  ILE 984          3HD1      ILE 984   4.385  -8.625   2.264
  523    H    GLU 985           H        GLU 985   8.593 -11.044  -1.582
  524    HA   GLU 985           HA       GLU 985   9.973  -8.835  -0.450
  525   1HB   GLU 985          HB1       GLU 985  10.796 -10.946  -2.436
  526   2HB   GLU 985          HB2       GLU 985  11.887  -9.665  -1.928
  527   1HG   GLU 985          HG1       GLU 985  11.699 -10.412   0.388
  528   2HG   GLU 985          HG2       GLU 985  10.585 -11.683  -0.111
  529    H    MET 986           H        MET 986   8.626  -9.474  -3.670
  530    HA   MET 986           HA       MET 986  10.036  -7.378  -4.927
  531   1HB   MET 986          HB1       MET 986   8.782  -7.722  -6.860
  532   2HB   MET 986          HB2       MET 986   8.895  -9.304  -6.112
  533   1HG   MET 986          HG1       MET 986   6.653  -9.229  -5.395
  534   2HG   MET 986          HG2       MET 986   6.511  -7.510  -5.760
  535   1HE   MET 986          HE1       MET 986   6.622  -7.528  -9.680
  536   2HE   MET 986          HE2       MET 986   6.542  -6.533  -8.224
  537   3HE   MET 986          HE3       MET 986   8.022  -7.407  -8.617
  538    H    ALA 987           H        ALA 987   6.713  -7.467  -3.652
  539    HA   ALA 987           HA       ALA 987   6.297  -4.725  -4.392
  540   1HB   ALA 987          HB1       ALA 987   4.510  -6.464  -4.470
  541   2HB   ALA 987          HB2       ALA 987   4.492  -6.424  -2.708
  542   3HB   ALA 987          HB3       ALA 987   4.080  -4.976  -3.626
  543    H    GLN 988           H        GLN 988   6.755  -6.516  -1.352
  544    HA   GLN 988           HA       GLN 988   6.050  -4.333   0.280
  545   1HB   GLN 988          HB1       GLN 988   6.077  -6.726   1.001
  546   2HB   GLN 988          HB2       GLN 988   7.832  -6.653   1.046
  547   1HG   GLN 988          HG1       GLN 988   6.315  -4.642   2.611
  548   2HG   GLN 988          HG2       GLN 988   6.342  -6.302   3.200
  549   1HE2  GLN 988          2HE2      GLN 988   7.493  -3.882   4.349
  550   2HE2  GLN 988          1HE2      GLN 988   9.180  -4.211   4.551
  551    H    LYS 989           H        LYS 989   9.177  -5.382  -1.015
  552    HA   LYS 989           HA       LYS 989  10.731  -3.399   0.285
  553   1HB   LYS 989          HB1       LYS 989  11.806  -5.270  -0.812
  554   2HB   LYS 989          HB2       LYS 989  11.122  -4.806  -2.364
  555   1HG   LYS 989          HG1       LYS 989  12.434  -2.690  -2.227
  556   2HG   LYS 989          HG2       LYS 989  13.209  -3.333  -0.778
  557   1HD   LYS 989          HD1       LYS 989  14.115  -5.186  -2.030
  558   2HD   LYS 989          HD2       LYS 989  13.234  -4.685  -3.475
  559   1HE   LYS 989          HE1       LYS 989  15.420  -3.132  -2.091
  560   2HE   LYS 989          HE2       LYS 989  15.580  -4.028  -3.600
  561   1HZ   LYS 989          HZ1       LYS 989  15.285  -1.714  -4.082
  562   2HZ   LYS 989          HZ2       LYS 989  13.884  -2.541  -4.563
  563   3HZ   LYS 989          HZ3       LYS 989  13.883  -1.634  -3.134
  564    H    LEU 990           H        LEU 990   8.979  -3.509  -2.755
  565    HA   LEU 990           HA       LEU 990   9.667  -0.975  -3.725
  566   1HB   LEU 990          HB1       LEU 990   8.705  -2.041  -5.431
  567   2HB   LEU 990          HB2       LEU 990   7.838  -3.126  -4.370
  568    HG   LEU 990           HG       LEU 990   6.085  -1.346  -4.112
  569   1HD1  LEU 990          1HD1      LEU 990   5.993   0.441  -5.758
  570   2HD1  LEU 990          2HD1      LEU 990   7.472   0.578  -4.808
  571   3HD1  LEU 990          3HD1      LEU 990   7.532  -0.079  -6.442
  572   1HD2  LEU 990          1HD2      LEU 990   5.051  -1.816  -6.265
  573   2HD2  LEU 990          2HD2      LEU 990   6.600  -2.369  -6.899
  574   3HD2  LEU 990          3HD2      LEU 990   5.811  -3.260  -5.596
  575    H    LEU 991           H        LEU 991   6.893  -1.983  -1.698
  576    HA   LEU 991           HA       LEU 991   5.743   0.640  -1.838
  577   1HB   LEU 991          HB1       LEU 991   4.165  -0.270  -0.069
  578   2HB   LEU 991          HB2       LEU 991   4.124  -0.998  -1.657
  579    HG   LEU 991           HG       LEU 991   5.635  -2.820  -0.657
  580   1HD1  LEU 991          1HD1      LEU 991   4.493  -1.687   1.891
  581   2HD1  LEU 991          2HD1      LEU 991   5.432  -3.171   1.722
  582   3HD1  LEU 991          3HD1      LEU 991   6.189  -1.608   1.417
  583   1HD2  LEU 991          1HD2      LEU 991   3.668  -3.997   0.205
  584   2HD2  LEU 991          2HD2      LEU 991   2.775  -2.474   0.208
  585   3HD2  LEU 991          3HD2      LEU 991   3.340  -3.163  -1.315
  586    H    ASN 992           H        ASN 992   7.817  -1.040   0.396
  587    HA   ASN 992           HA       ASN 992   7.615   0.694   2.574
  588   1HB   ASN 992          HB1       ASN 992   8.946  -1.400   2.607
  589   2HB   ASN 992          HB2       ASN 992  10.121  -0.654   1.527
  590   1HD2  ASN 992          2HD2      ASN 992  11.481   0.956   2.315
  591   2HD2  ASN 992          1HD2      ASN 992  11.715   1.219   4.008
  592    H    SER 993           H        SER 993   9.457   0.903  -0.400
  593    HA   SER 993           HA       SER 993  10.871   3.275   0.355
  594   1HB   SER 993          HB1       SER 993  10.579   2.086  -2.409
  595   2HB   SER 993          HB2       SER 993  11.885   3.110  -1.809
  596    HG   SER 993           HG       SER 993  11.386   0.392  -1.370
  597    H    ASP 994           H        ASP 994   7.796   2.648  -1.127
  598    HA   ASP 994           HA       ASP 994   7.802   5.302  -2.378
  599   1HB   ASP 994          HB1       ASP 994   6.265   2.804  -2.973
  600   2HB   ASP 994          HB2       ASP 994   5.647   4.367  -3.499
  601    H    LEU 995           H        LEU 995   5.670   3.256  -0.347
  602    HA   LEU 995           HA       LEU 995   3.762   5.188   0.294
  603   1HB   LEU 995          HB1       LEU 995   4.156   2.625   1.083
  604   2HB   LEU 995          HB2       LEU 995   4.750   3.444   2.507
  605    HG   LEU 995           HG       LEU 995   2.521   2.916   2.968
  606   1HD1  LEU 995          1HD1      LEU 995   2.590   5.781   2.052
  607   2HD1  LEU 995          2HD1      LEU 995   1.379   5.080   3.126
  608   3HD1  LEU 995          3HD1      LEU 995   3.066   5.167   3.635
  609   1HD2  LEU 995          1HD2      LEU 995   1.830   4.012   0.251
  610   2HD2  LEU 995          2HD2      LEU 995   1.792   2.322   0.755
  611   3HD2  LEU 995          3HD2      LEU 995   0.659   3.477   1.456
  612    H    ALA 996           H        ALA 996   6.751   4.346   1.985
  613    HA   ALA 996           HA       ALA 996   6.808   6.436   3.811
  614   1HB   ALA 996          HB1       ALA 996   8.341   4.534   3.920
  615   2HB   ALA 996          HB2       ALA 996   9.205   5.155   2.513
  616   3HB   ALA 996          HB3       ALA 996   9.200   6.070   4.020
  617    H    GLU 997           H        GLU 997   8.171   6.402   0.506
  618    HA   GLU 997           HA       GLU 997   9.321   8.892   0.514
  619   1HB   GLU 997          HB1       GLU 997   9.408   7.250  -1.374
  620   2HB   GLU 997          HB2       GLU 997   7.791   7.775  -1.831
  621   1HG   GLU 997          HG1       GLU 997   8.683  10.091  -2.034
  622   2HG   GLU 997          HG2       GLU 997  10.296   9.435  -1.781
  623    H    LEU 998           H        LEU 998   5.877   8.116   0.064
  624    HA   LEU 998           HA       LEU 998   5.220  10.769  -0.785
  625   1HB   LEU 998          HB1       LEU 998   3.805   8.819  -1.340
  626   2HB   LEU 998          HB2       LEU 998   3.359   8.683   0.353
  627    HG   LEU 998           HG       LEU 998   2.353  10.951   0.238
  628   1HD1  LEU 998          1HD1      LEU 998   1.980  11.993  -1.929
  629   2HD1  LEU 998          2HD1      LEU 998   3.704  11.833  -1.593
  630   3HD1  LEU 998          3HD1      LEU 998   2.917  10.721  -2.714
  631   1HD2  LEU 998          1HD2      LEU 998   1.285   8.998  -1.793
  632   2HD2  LEU 998          2HD2      LEU 998   0.956   8.976  -0.061
  633   3HD2  LEU 998          3HD2      LEU 998   0.382  10.317  -1.051
  634    H    ILE 999           H        ILE 999   5.381   9.153   2.308
  635    HA   ILE 999           HA       ILE 999   4.060  11.046   3.892
  636    HB   ILE 999           HB       ILE 999   6.491   9.416   4.662
  637   1HG1  ILE 999          1HG1      ILE 999   3.545   8.768   4.917
  638   2HG1  ILE 999          2HG1      ILE 999   4.652   8.031   3.767
  639   1HG2  ILE 999          1HG2      ILE 999   6.040  11.205   6.242
  640   2HG2  ILE 999          2HG2      ILE 999   4.354  10.704   6.357
  641   3HG2  ILE 999          3HG2      ILE 999   5.631   9.644   6.955
  642   1HD1  ILE 999          1HD1      ILE 999   4.826   7.811   6.763
  643   2HD1  ILE 999          2HD1      ILE 999   4.231   6.570   5.660
  644   3HD1  ILE 999          3HD1      ILE 999   5.924   7.062   5.604
  645    H    ASN1000           H        ASN1000   7.244  10.966   2.535
  646    HA   ASN1000           HA       ASN1000   8.024  13.515   3.796
  647   1HB   ASN1000          HB1       ASN1000   9.596  11.660   1.985
  648   2HB   ASN1000          HB2       ASN1000  10.233  13.088   2.795
  649   1HD2  ASN1000          2HD2      ASN1000   9.196   9.797   3.168
  650   2HD2  ASN1000          1HD2      ASN1000   9.845   9.564   4.756
  651    H    LYS1001           H        LYS1001   6.503  12.360   1.071
  652    HA   LYS1001           HA       LYS1001   7.614  14.251  -0.808
  653   1HB   LYS1001          HB1       LYS1001   6.524  11.848  -1.212
  654   2HB   LYS1001          HB2       LYS1001   5.065  12.816  -1.371
  655   1HG   LYS1001          HG1       LYS1001   5.900  12.555  -3.548
  656   2HG   LYS1001          HG2       LYS1001   6.333  14.199  -3.071
  657   1HD   LYS1001          HD1       LYS1001   8.589  13.506  -2.574
  658   2HD   LYS1001          HD2       LYS1001   8.175  11.817  -2.882
  659   1HE   LYS1001          HE1       LYS1001   7.598  12.487  -5.228
  660   2HE   LYS1001          HE2       LYS1001   8.263  14.081  -4.870
  661   1HZ   LYS1001          HZ1       LYS1001   9.760  11.520  -4.686
  662   2HZ   LYS1001          HZ2       LYS1001   9.869  12.623  -5.970
  663   3HZ   LYS1001          HZ3       LYS1001  10.398  13.072  -4.418
  664    H    MET1002           H        MET1002   4.449  13.735   0.816
  665    HA   MET1002           HA       MET1002   3.616  16.365  -0.012
  666   1HB   MET1002          HB1       MET1002   2.001  14.474   0.419
  667   2HB   MET1002          HB2       MET1002   2.339  14.696   2.136
  668   1HG   MET1002          HG1       MET1002   0.379  15.933   1.652
  669   2HG   MET1002          HG2       MET1002   1.708  17.088   1.877
  670   1HE   MET1002          HE1       MET1002  -0.876  18.341  -1.047
  671   2HE   MET1002          HE2       MET1002  -1.320  17.151   0.176
  672   3HE   MET1002          HE3       MET1002  -0.436  18.606   0.639
  673    H    LYS1003           H        LYS1003   5.135  14.852   2.753
  674    HA   LYS1003           HA       LYS1003   5.128  17.015   4.504
  675   1HB   LYS1003          HB1       LYS1003   6.218  14.713   4.852
  676   2HB   LYS1003          HB2       LYS1003   7.583  15.347   3.944
  677   1HG   LYS1003          HG1       LYS1003   7.812  17.151   5.610
  678   2HG   LYS1003          HG2       LYS1003   6.507  16.414   6.540
  679   1HD   LYS1003          HD1       LYS1003   7.859  14.324   6.653
  680   2HD   LYS1003          HD2       LYS1003   9.184  15.198   5.884
  681   1HE   LYS1003          HE1       LYS1003   7.911  15.812   8.548
  682   2HE   LYS1003          HE2       LYS1003   9.524  15.159   8.272
  683   1HZ   LYS1003          HZ1       LYS1003   8.529  17.893   7.755
  684   2HZ   LYS1003          HZ2       LYS1003   9.879  17.401   8.654
  685   3HZ   LYS1003          HZ3       LYS1003   9.915  17.304   6.963
  686    H    LEU1004           H        LEU1004   7.369  16.230   1.870
  687    HA   LEU1004           HA       LEU1004   8.795  18.581   1.760
  688   1HB   LEU1004          HB1       LEU1004   9.213  16.464   0.524
  689   2HB   LEU1004          HB2       LEU1004   7.917  16.906  -0.568
  690    HG   LEU1004           HG       LEU1004   9.189  18.929  -1.224
  691   1HD1  LEU1004          1HD1      LEU1004  11.390  17.717   0.442
  692   2HD1  LEU1004          2HD1      LEU1004  11.532  19.132  -0.600
  693   3HD1  LEU1004          3HD1      LEU1004  10.497  19.189   0.826
  694   1HD2  LEU1004          1HD2      LEU1004  10.877  17.755  -2.553
  695   2HD2  LEU1004          2HD2      LEU1004  10.649  16.314  -1.561
  696   3HD2  LEU1004          3HD2      LEU1004   9.330  16.912  -2.568
  697    H    ALA1005           H        ALA1005   5.715  17.835   0.112
  698    HA   ALA1005           HA       ALA1005   5.520  20.292  -1.257
  699   1HB   ALA1005          HB1       ALA1005   3.317  18.453  -0.339
  700   2HB   ALA1005          HB2       ALA1005   3.134  19.759  -1.509
  701   3HB   ALA1005          HB3       ALA1005   4.166  18.377  -1.882
  702    H    GLN1006           H        GLN1006   4.331  19.257   1.891
  703    HA   GLN1006           HA       GLN1006   3.173  21.804   2.535
  704   1HB   GLN1006          HB1       GLN1006   2.477  20.792   4.511
  705   2HB   GLN1006          HB2       GLN1006   2.607  19.408   3.433
  706   1HG   GLN1006          HG1       GLN1006   3.756  18.479   5.089
  707   2HG   GLN1006          HG2       GLN1006   5.092  19.471   4.513
  708   1HE2  GLN1006          2HE2      GLN1006   2.262  20.720   6.145
  709   2HE2  GLN1006          1HE2      GLN1006   3.075  21.226   7.587
  710    H    GLN1007           H        GLN1007   6.269  20.545   2.392
  711    HA   GLN1007           HA       GLN1007   7.455  22.136   4.469
  712   1HB   GLN1007          HB1       GLN1007   8.104  19.777   3.222
  713   2HB   GLN1007          HB2       GLN1007   9.159  20.928   2.414
  714   1HG   GLN1007          HG1       GLN1007  10.287  19.895   4.273
  715   2HG   GLN1007          HG2       GLN1007  10.053  21.615   4.588
  716   1HE2  GLN1007          2HE2      GLN1007   7.354  19.402   4.811
  717   2HE2  GLN1007          1HE2      GLN1007   7.245  19.440   6.549
  718    H    TYR1008           H        TYR1008   6.740  22.312   1.135
  719    HA   TYR1008           HA       TYR1008   8.455  24.575   0.578
  720   1HB   TYR1008          HB1       TYR1008   7.412  22.628  -0.984
  721   2HB   TYR1008          HB2       TYR1008   6.190  23.871  -1.211
  722    HD1  TYR1008           HD1      TYR1008   6.913  23.614  -3.621
  723    HD2  TYR1008           HD2      TYR1008   9.462  25.215  -0.612
  724    HE1  TYR1008           HE1      TYR1008   8.330  24.621  -5.365
  725    HE2  TYR1008           HE2      TYR1008  10.883  26.231  -2.348
  726    HH   TYR1008           HH       TYR1008   9.955  26.243  -5.723
  727    H    VAL1009           H        VAL1009   4.994  23.908   0.586
  728    HA   VAL1009           HA       VAL1009   3.188  25.297   0.580
  729    HB   VAL1009           HB       VAL1009   3.423  24.538   2.856
  730   1HG1  VAL1009          1HG1      VAL1009   5.630  25.406   3.381
  731   2HG1  VAL1009          2HG1      VAL1009   4.989  27.049   3.397
  732   3HG1  VAL1009          3HG1      VAL1009   4.450  25.880   4.603
  733   1HG2  VAL1009          1HG2      VAL1009   2.118  26.279   3.996
  734   2HG2  VAL1009          2HG2      VAL1009   2.509  27.404   2.694
  735   3HG2  VAL1009          3HG2      VAL1009   1.544  25.965   2.359
  736    H    MET1010           H        MET1010   4.186  26.562  -1.196
  737    HA   MET1010           HA       MET1010   4.290  29.397  -0.405
  738   1HB   MET1010          HB1       MET1010   5.656  28.058  -2.756
  739   2HB   MET1010          HB2       MET1010   5.623  29.792  -2.474
  740   1HG   MET1010          HG1       MET1010   6.863  27.762  -0.631
  741   2HG   MET1010          HG2       MET1010   7.741  28.740  -1.806
  742   1HE   MET1010          HE1       MET1010   9.357  29.530   0.200
  743   2HE   MET1010          HE2       MET1010   8.759  30.251   1.693
  744   3HE   MET1010          HE3       MET1010   8.416  28.560   1.332
  745    H    THR1011           H        THR1011   3.271  30.861  -2.005
  746    HA   THR1011           HA       THR1011   0.646  30.073  -2.373
  747    HB   THR1011           HB       THR1011   0.425  32.107  -3.839
  748    HG1  THR1011           HG1      THR1011   2.871  33.119  -3.195
  749   1HG2  THR1011          1HG2      THR1011   1.863  32.441  -1.205
  750   2HG2  THR1011          2HG2      THR1011   0.920  33.687  -2.023
  751   3HG2  THR1011          3HG2      THR1011   0.125  32.231  -1.421
  752    H    SER1012           H        SER1012   3.048  30.541  -4.978
  753    HA   SER1012           HA       SER1012   1.297  29.032  -6.771
  754   1HB   SER1012          HB1       SER1012   2.957  29.863  -8.519
  755   2HB   SER1012          HB2       SER1012   1.990  31.098  -7.713
  756    HG   SER1012           HG       SER1012   4.551  31.114  -7.914
  757    H    LEU1013           H        LEU1013   4.158  28.665  -4.934
  758    HA   LEU1013           HA       LEU1013   5.325  26.690  -6.701
  759   1HB   LEU1013          HB1       LEU1013   6.213  27.726  -4.014
  760   2HB   LEU1013          HB2       LEU1013   7.084  26.513  -4.928
  761    HG   LEU1013           HG       LEU1013   8.224  28.513  -5.337
  762   1HD1  LEU1013          1HD1      LEU1013   7.859  27.256  -7.371
  763   2HD1  LEU1013          2HD1      LEU1013   6.340  28.107  -7.651
  764   3HD1  LEU1013          3HD1      LEU1013   7.870  28.985  -7.712
  765   1HD2  LEU1013          1HD2      LEU1013   6.550  30.053  -4.441
  766   2HD2  LEU1013          2HD2      LEU1013   7.183  30.609  -5.990
  767   3HD2  LEU1013          3HD2      LEU1013   5.588  29.859  -5.908
  768    H    GLN1014           H        GLN1014   3.197  26.696  -3.998
  769    HA   GLN1014           HA       GLN1014   3.836  24.204  -2.845
  770   1HB   GLN1014          HB1       GLN1014   2.198  26.074  -2.045
  771   2HB   GLN1014          HB2       GLN1014   1.016  25.215  -3.020
  772   1HG   GLN1014          HG1       GLN1014   2.597  23.749  -0.960
  773   2HG   GLN1014          HG2       GLN1014   1.197  24.717  -0.497
  774   1HE2  GLN1014          2HE2      GLN1014   2.296  21.891  -2.178
  775   2HE2  GLN1014          1HE2      GLN1014   0.737  21.190  -2.416
  776    H    GLN1015           H        GLN1015   1.531  25.082  -5.398
  777    HA   GLN1015           HA       GLN1015   0.486  22.512  -5.815
  778   1HB   GLN1015          HB1       GLN1015  -0.326  23.350  -7.958
  779   2HB   GLN1015          HB2       GLN1015  -0.611  24.520  -6.679
  780   1HG   GLN1015          HG1       GLN1015   1.243  25.857  -7.419
  781   2HG   GLN1015          HG2       GLN1015   1.684  24.642  -8.617
  782   1HE2  GLN1015          2HE2      GLN1015   0.401  24.366 -10.432
  783   2HE2  GLN1015          1HE2      GLN1015  -0.695  25.598 -10.969
  784    H    GLU1016           H        GLU1016   3.211  24.165  -7.343
  785    HA   GLU1016           HA       GLU1016   4.093  22.289  -9.107
  786   1HB   GLU1016          HB1       GLU1016   5.241  24.406  -8.792
  787   2HB   GLU1016          HB2       GLU1016   5.781  23.913  -7.195
  788   1HG   GLU1016          HG1       GLU1016   7.542  23.791  -8.912
  789   2HG   GLU1016          HG2       GLU1016   7.223  22.246  -8.129
  790    H    TYR1017           H        TYR1017   4.845  22.279  -5.606
  791    HA   TYR1017           HA       TYR1017   6.119  19.729  -5.736
  792   1HB   TYR1017          HB1       TYR1017   5.368  21.614  -3.575
  793   2HB   TYR1017          HB2       TYR1017   5.551  19.924  -3.125
  794    HD1  TYR1017           HD1      TYR1017   7.450  20.763  -1.638
  795    HD2  TYR1017           HD2      TYR1017   7.560  20.988  -5.900
  796    HE1  TYR1017           HE1      TYR1017   9.894  21.026  -1.573
  797    HE2  TYR1017           HE2      TYR1017   9.996  21.260  -5.829
  798    HH   TYR1017           HH       TYR1017  11.729  21.936  -4.343
  799    H    LYS1018           H        LYS1018   2.840  20.772  -5.343
  800    HA   LYS1018           HA       LYS1018   1.814  18.324  -4.301
  801   1HB   LYS1018          HB1       LYS1018   0.571  20.413  -4.090
  802   2HB   LYS1018          HB2       LYS1018   0.458  20.552  -5.837
  803   1HG   LYS1018          HG1       LYS1018  -0.969  18.612  -5.941
  804   2HG   LYS1018          HG2       LYS1018  -0.767  18.334  -4.210
  805   1HD   LYS1018          HD1       LYS1018  -1.885  20.421  -3.709
  806   2HD   LYS1018          HD2       LYS1018  -2.005  20.803  -5.428
  807   1HE   LYS1018          HE1       LYS1018  -3.248  18.375  -4.149
  808   2HE   LYS1018          HE2       LYS1018  -4.104  19.894  -4.405
  809   1HZ   LYS1018          HZ1       LYS1018  -4.005  19.643  -6.706
  810   2HZ   LYS1018          HZ2       LYS1018  -2.795  18.460  -6.639
  811   3HZ   LYS1018          HZ3       LYS1018  -4.375  18.089  -6.146
  812    H    LYS1019           H        LYS1019   2.335  19.646  -7.497
  813    HA   LYS1019           HA       LYS1019   1.225  17.560  -9.041
  814   1HB   LYS1019          HB1       LYS1019   1.709  19.695 -10.021
  815   2HB   LYS1019          HB2       LYS1019   3.393  19.604  -9.541
  816   1HG   LYS1019          HG1       LYS1019   3.626  17.659 -11.112
  817   2HG   LYS1019          HG2       LYS1019   2.006  18.048 -11.702
  818   1HD   LYS1019          HD1       LYS1019   2.730  20.274 -12.324
  819   2HD   LYS1019          HD2       LYS1019   4.328  19.971 -11.643
  820   1HE   LYS1019          HE1       LYS1019   4.623  18.141 -13.293
  821   2HE   LYS1019          HE2       LYS1019   3.080  18.597 -14.016
  822   1HZ   LYS1019          HZ1       LYS1019   5.489  20.323 -13.805
  823   2HZ   LYS1019          HZ2       LYS1019   4.907  19.587 -15.216
  824   3HZ   LYS1019          HZ3       LYS1019   4.002  20.800 -14.458
  825    H    GLN1020           H        GLN1020   4.172  17.923  -7.306
  826    HA   GLN1020           HA       GLN1020   5.559  15.798  -8.731
  827   1HB   GLN1020          HB1       GLN1020   6.384  17.479  -6.355
  828   2HB   GLN1020          HB2       GLN1020   7.402  16.262  -7.114
  829   1HG   GLN1020          HG1       GLN1020   7.363  17.507  -9.203
  830   2HG   GLN1020          HG2       GLN1020   6.301  18.710  -8.475
  831   1HE2  GLN1020          2HE2      GLN1020   7.749  20.364  -8.859
  832   2HE2  GLN1020          1HE2      GLN1020   9.209  20.542  -7.941
  833    H    MET1021           H        MET1021   4.047  16.391  -5.600
  834    HA   MET1021           HA       MET1021   4.682  13.816  -4.558
  835   1HB   MET1021          HB1       MET1021   3.293  14.341  -2.708
  836   2HB   MET1021          HB2       MET1021   4.089  15.838  -3.164
  837   1HG   MET1021          HG1       MET1021   1.938  16.518  -2.745
  838   2HG   MET1021          HG2       MET1021   1.927  16.310  -4.493
  839   1HE   MET1021          HE1       MET1021  -0.734  16.516  -2.787
  840   2HE   MET1021          HE2       MET1021  -0.727  16.259  -4.530
  841   3HE   MET1021          HE3       MET1021  -1.699  15.218  -3.490
  842    H    LEU1022           H        LEU1022   2.193  15.075  -6.617
  843    HA   LEU1022           HA       LEU1022   0.317  12.985  -6.341
  844   1HB   LEU1022          HB1       LEU1022  -0.007  15.241  -7.475
  845   2HB   LEU1022          HB2       LEU1022   0.843  14.575  -8.853
  846    HG   LEU1022           HG       LEU1022  -1.692  14.603  -8.976
  847   1HD1  LEU1022          1HD1      LEU1022  -0.294  11.958  -9.318
  848   2HD1  LEU1022          2HD1      LEU1022  -1.837  12.411 -10.043
  849   3HD1  LEU1022          3HD1      LEU1022  -0.364  13.265 -10.501
  850   1HD2  LEU1022          1HD2      LEU1022  -2.859  12.753  -7.868
  851   2HD2  LEU1022          2HD2      LEU1022  -1.376  12.349  -7.003
  852   3HD2  LEU1022          3HD2      LEU1022  -2.173  13.894  -6.711
  853    H    THR1023           H        THR1023   3.090  13.455  -8.490
  854    HA   THR1023           HA       THR1023   2.894  11.098  -9.974
  855    HB   THR1023           HB       THR1023   5.476  12.379  -9.063
  856    HG1  THR1023           HG1      THR1023   3.465  13.294 -10.752
  857   1HG2  THR1023          1HG2      THR1023   5.702  10.233 -10.239
  858   2HG2  THR1023          2HG2      THR1023   4.747  10.866 -11.579
  859   3HG2  THR1023          3HG2      THR1023   6.324  11.566 -11.212
  860    H    ALA1024           H        ALA1024   4.133  11.716  -6.760
  861    HA   ALA1024           HA       ALA1024   5.283   9.078  -6.455
  862   1HB   ALA1024          HB1       ALA1024   5.757   9.750  -4.167
  863   2HB   ALA1024          HB2       ALA1024   6.267  11.003  -5.298
  864   3HB   ALA1024          HB3       ALA1024   4.778  11.203  -4.375
  865    H    ALA1025           H        ALA1025   2.379  10.796  -5.451
  866    HA   ALA1025           HA       ALA1025   1.299   8.853  -3.749
  867   1HB   ALA1025          HB1       ALA1025  -0.827   9.988  -4.069
  868   2HB   ALA1025          HB2       ALA1025   0.478  11.158  -3.868
  869   3HB   ALA1025          HB3       ALA1025  -0.179  10.839  -5.472
  870    H    HIS1026           H        HIS1026   1.209   9.184  -7.250
  871    HA   HIS1026           HA       HIS1026  -0.670   7.075  -7.618
  872   1HB   HIS1026          HB1       HIS1026  -0.327   8.753  -9.376
  873   2HB   HIS1026          HB2       HIS1026   1.339   8.219  -9.573
  874    HD1  HIS1026           HD1      HIS1026  -2.207   7.063 -10.161
  875    HD2  HIS1026           HD2      HIS1026   1.685   6.010 -11.193
  876    HE1  HIS1026           HE1      HIS1026  -2.426   5.267 -11.910
  877    HE2  HIS1026           HE2      HIS1026  -0.066   4.514 -12.372
  878    H    ALA1027           H        ALA1027   2.859   7.282  -7.629
  879    HA   ALA1027           HA       ALA1027   3.362   4.580  -8.255
  880   1HB   ALA1027          HB1       ALA1027   5.577   4.964  -7.320
  881   2HB   ALA1027          HB2       ALA1027   5.086   6.327  -8.326
  882   3HB   ALA1027          HB3       ALA1027   5.017   6.459  -6.569
  883    H    LEU1028           H        LEU1028   2.804   6.286  -5.254
  884    HA   LEU1028           HA       LEU1028   3.060   4.211  -3.407
  885   1HB   LEU1028          HB1       LEU1028   2.859   6.458  -2.669
  886   2HB   LEU1028          HB2       LEU1028   1.347   6.680  -3.511
  887    HG   LEU1028           HG       LEU1028   1.168   4.572  -1.505
  888   1HD1  LEU1028          1HD1      LEU1028   2.837   5.959  -0.372
  889   2HD1  LEU1028          2HD1      LEU1028   1.826   7.382  -0.619
  890   3HD1  LEU1028          3HD1      LEU1028   1.268   6.074   0.423
  891   1HD2  LEU1028          1HD2      LEU1028  -0.811   5.838  -0.900
  892   2HD2  LEU1028          2HD2      LEU1028  -0.296   7.168  -1.936
  893   3HD2  LEU1028          3HD2      LEU1028  -0.724   5.610  -2.646
  894    H    ALA1029           H        ALA1029   0.162   5.416  -5.031
  895    HA   ALA1029           HA       ALA1029  -1.615   3.483  -4.201
  896   1HB   ALA1029          HB1       ALA1029  -1.529   4.766  -6.933
  897   2HB   ALA1029          HB2       ALA1029  -2.922   3.957  -6.216
  898   3HB   ALA1029          HB3       ALA1029  -2.297   5.440  -5.496
  899    H    VAL1030           H        VAL1030   0.643   3.346  -6.940
  900    HA   VAL1030           HA       VAL1030  -0.005   0.757  -7.792
  901    HB   VAL1030           HB       VAL1030   2.598   2.264  -8.057
  902   1HG1  VAL1030          1HG1      VAL1030   3.097   0.719  -9.904
  903   2HG1  VAL1030          2HG1      VAL1030   3.009  -0.111  -8.350
  904   3HG1  VAL1030          3HG1      VAL1030   1.666  -0.222  -9.488
  905   1HG2  VAL1030          1HG2      VAL1030   0.683   3.367  -9.104
  906   2HG2  VAL1030          2HG2      VAL1030   1.814   2.758 -10.314
  907   3HG2  VAL1030          3HG2      VAL1030   0.315   1.887  -9.991
  908    H    ASP1031           H        ASP1031   2.084   1.818  -5.140
  909    HA   ASP1031           HA       ASP1031   3.408  -0.717  -5.000
  910   1HB   ASP1031          HB1       ASP1031   4.508   0.013  -3.040
  911   2HB   ASP1031          HB2       ASP1031   4.426   1.397  -4.112
  912    H    ALA1032           H        ALA1032   0.688   0.753  -3.279
  913    HA   ALA1032           HA       ALA1032  -0.009  -1.455  -1.696
  914   1HB   ALA1032          HB1       ALA1032  -2.253  -0.479  -1.671
  915   2HB   ALA1032          HB2       ALA1032  -1.017   0.758  -1.439
  916   3HB   ALA1032          HB3       ALA1032  -1.810   0.587  -3.005
  917    H    LYS1033           H        LYS1033  -1.130  -0.538  -4.987
  918    HA   LYS1033           HA       LYS1033  -2.843  -2.756  -5.273
  919   1HB   LYS1033          HB1       LYS1033  -1.570  -0.960  -7.331
  920   2HB   LYS1033          HB2       LYS1033  -2.743  -2.206  -7.727
  921   1HG   LYS1033          HG1       LYS1033  -4.365  -1.077  -6.219
  922   2HG   LYS1033          HG2       LYS1033  -3.188   0.223  -6.007
  923   1HD   LYS1033          HD1       LYS1033  -3.199   0.603  -8.436
  924   2HD   LYS1033          HD2       LYS1033  -4.412  -0.665  -8.618
  925   1HE   LYS1033          HE1       LYS1033  -5.928   0.645  -7.158
  926   2HE   LYS1033          HE2       LYS1033  -4.725   1.934  -7.119
  927   1HZ   LYS1033          HZ1       LYS1033  -4.909   2.070  -9.560
  928   2HZ   LYS1033          HZ2       LYS1033  -6.147   0.914  -9.521
  929   3HZ   LYS1033          HZ3       LYS1033  -6.374   2.422  -8.779
  930    H    ASN1034           H        ASN1034   0.564  -2.336  -5.984
  931    HA   ASN1034           HA       ASN1034   0.795  -4.682  -7.573
  932   1HB   ASN1034          HB1       ASN1034   2.451  -2.760  -7.512
  933   2HB   ASN1034          HB2       ASN1034   3.021  -3.408  -5.975
  934   1HD2  ASN1034          2HD2      ASN1034   4.212  -5.287  -5.956
  935   2HD2  ASN1034          1HD2      ASN1034   4.835  -6.025  -7.383
  936    H    LEU1035           H        LEU1035   1.040  -4.008  -4.124
  937    HA   LEU1035           HA       LEU1035   1.973  -6.676  -3.499
  938   1HB   LEU1035          HB1       LEU1035   2.567  -4.775  -2.043
  939   2HB   LEU1035          HB2       LEU1035   0.864  -4.547  -1.655
  940    HG   LEU1035           HG       LEU1035   0.994  -7.027  -0.843
  941   1HD1  LEU1035          1HD1      LEU1035   3.888  -6.217  -0.703
  942   2HD1  LEU1035          2HD1      LEU1035   3.176  -7.641   0.054
  943   3HD1  LEU1035          3HD1      LEU1035   3.208  -7.501  -1.704
  944   1HD2  LEU1035          1HD2      LEU1035   2.272  -4.784   0.703
  945   2HD2  LEU1035          2HD2      LEU1035   0.550  -5.157   0.629
  946   3HD2  LEU1035          3HD2      LEU1035   1.668  -6.292   1.387
  947    H    LEU1036           H        LEU1036  -1.126  -5.111  -3.895
  948    HA   LEU1036           HA       LEU1036  -2.700  -6.920  -2.452
  949   1HB   LEU1036          HB1       LEU1036  -4.535  -5.947  -3.410
  950   2HB   LEU1036          HB2       LEU1036  -3.356  -4.701  -3.735
  951    HG   LEU1036           HG       LEU1036  -3.143  -5.856  -6.068
  952   1HD1  LEU1036          1HD1      LEU1036  -5.213  -6.908  -6.830
  953   2HD1  LEU1036          2HD1      LEU1036  -4.467  -7.846  -5.537
  954   3HD1  LEU1036          3HD1      LEU1036  -5.865  -6.826  -5.194
  955   1HD2  LEU1036          1HD2      LEU1036  -5.620  -4.321  -5.290
  956   2HD2  LEU1036          2HD2      LEU1036  -4.045  -3.614  -5.654
  957   3HD2  LEU1036          3HD2      LEU1036  -4.946  -4.459  -6.913
  958    H    ASP1037           H        ASP1037  -1.514  -6.942  -5.710
  959    HA   ASP1037           HA       ASP1037  -2.536  -9.511  -6.409
  960   1HB   ASP1037          HB1       ASP1037  -2.005  -7.753  -8.066
  961   2HB   ASP1037          HB2       ASP1037  -0.301  -7.892  -7.651
  962    H    VAL1038           H        VAL1038   0.220  -8.347  -4.734
  963    HA   VAL1038           HA       VAL1038   1.880 -10.671  -5.051
  964    HB   VAL1038           HB       VAL1038   1.977  -8.236  -3.293
  965   1HG1  VAL1038          1HG1      VAL1038   2.767 -10.061  -1.902
  966   2HG1  VAL1038          2HG1      VAL1038   3.864 -10.584  -3.180
  967   3HG1  VAL1038          3HG1      VAL1038   4.111  -9.027  -2.386
  968   1HG2  VAL1038          1HG2      VAL1038   2.675  -7.995  -5.606
  969   2HG2  VAL1038          2HG2      VAL1038   4.056  -7.835  -4.524
  970   3HG2  VAL1038          3HG2      VAL1038   3.809  -9.333  -5.421
  971    H    ILE1039           H        ILE1039  -0.210  -9.427  -2.467
  972    HA   ILE1039           HA       ILE1039   0.352 -11.779  -0.867
  973    HB   ILE1039           HB       ILE1039  -0.954 -10.652   0.921
  974   1HG1  ILE1039          1HG1      ILE1039  -1.054  -8.432  -1.126
  975   2HG1  ILE1039          2HG1      ILE1039  -2.412  -9.213  -0.323
  976   1HG2  ILE1039          1HG2      ILE1039   1.455 -10.514   0.848
  977   2HG2  ILE1039          2HG2      ILE1039   1.370  -9.142  -0.256
  978   3HG2  ILE1039          3HG2      ILE1039   0.785  -8.978   1.399
  979   1HD1  ILE1039          1HD1      ILE1039  -0.362  -7.433   0.968
  980   2HD1  ILE1039          2HD1      ILE1039  -2.033  -7.015   0.594
  981   3HD1  ILE1039          3HD1      ILE1039  -1.683  -8.245   1.808
  982    H    ASP1040           H        ASP1040  -2.492 -10.292  -2.469
  983    HA   ASP1040           HA       ASP1040  -4.315 -12.319  -1.898
  984   1HB   ASP1040          HB1       ASP1040  -5.252 -10.745  -3.322
  985   2HB   ASP1040          HB2       ASP1040  -3.829 -10.684  -4.357
  986    H    GLN1041           H        GLN1041  -1.776 -12.239  -4.339
  987    HA   GLN1041           HA       GLN1041  -2.102 -15.014  -4.968
  988   1HB   GLN1041          HB1       GLN1041  -0.004 -13.024  -5.747
  989   2HB   GLN1041          HB2       GLN1041   0.151 -14.738  -6.122
  990   1HG   GLN1041          HG1       GLN1041  -1.993 -14.643  -7.328
  991   2HG   GLN1041          HG2       GLN1041  -2.081 -12.914  -7.005
  992   1HE2  GLN1041          2HE2      GLN1041   0.773 -12.517  -7.359
  993   2HE2  GLN1041          1HE2      GLN1041   1.069 -12.611  -9.060
  994    H    ALA1042           H        ALA1042  -0.087 -13.230  -2.657
  995    HA   ALA1042           HA       ALA1042   1.477 -15.287  -1.746
  996   1HB   ALA1042          HB1       ALA1042   1.295 -14.306   0.477
  997   2HB   ALA1042          HB2       ALA1042   1.491 -13.061  -0.757
  998   3HB   ALA1042          HB3       ALA1042  -0.098 -13.362  -0.053
  999    H    ARG1043           H        ARG1043  -1.834 -14.571  -0.690
 1000    HA   ARG1043           HA       ARG1043  -2.309 -16.967   0.661
 1001   1HB   ARG1043          HB1       ARG1043  -3.830 -14.718  -0.177
 1002   2HB   ARG1043          HB2       ARG1043  -4.713 -16.165  -0.638
 1003   1HG   ARG1043          HG1       ARG1043  -5.401 -15.406   1.549
 1004   2HG   ARG1043          HG2       ARG1043  -4.601 -16.973   1.659
 1005   1HD   ARG1043          HD1       ARG1043  -2.692 -16.063   2.641
 1006   2HD   ARG1043          HD2       ARG1043  -3.068 -14.433   2.080
 1007    HE   ARG1043           HE       ARG1043  -5.076 -14.734   3.698
 1008   1HH1  ARG1043          2HH1      ARG1043  -1.838 -15.945   4.277
 1009   2HH1  ARG1043          1HH1      ARG1043  -1.959 -15.772   6.000
 1010   1HH2  ARG1043          2HH2      ARG1043  -5.238 -14.519   5.945
 1011   2HH2  ARG1043          1HH2      ARG1043  -3.878 -14.969   6.945
 1012    H    LEU1044           H        LEU1044  -2.355 -16.265  -2.771
 1013    HA   LEU1044           HA       LEU1044  -3.387 -18.845  -3.509
 1014   1HB   LEU1044          HB1       LEU1044  -1.987 -16.718  -5.115
 1015   2HB   LEU1044          HB2       LEU1044  -2.589 -18.211  -5.803
 1016    HG   LEU1044           HG       LEU1044  -4.263 -16.071  -4.485
 1017   1HD1  LEU1044          1HD1      LEU1044  -5.120 -15.685  -6.734
 1018   2HD1  LEU1044          2HD1      LEU1044  -3.378 -15.411  -6.664
 1019   3HD1  LEU1044          3HD1      LEU1044  -4.009 -16.897  -7.373
 1020   1HD2  LEU1044          1HD2      LEU1044  -5.181 -18.311  -4.139
 1021   2HD2  LEU1044          2HD2      LEU1044  -6.173 -17.379  -5.262
 1022   3HD2  LEU1044          3HD2      LEU1044  -5.080 -18.622  -5.872
 1023    H    LYS1045           H        LYS1045  -0.233 -17.516  -2.828
 1024    HA   LYS1045           HA       LYS1045   1.376 -19.613  -3.798
 1025   1HB   LYS1045          HB1       LYS1045   1.740 -17.937  -1.297
 1026   2HB   LYS1045          HB2       LYS1045   2.973 -18.959  -2.014
 1027   1HG   LYS1045          HG1       LYS1045   1.741 -16.526  -3.257
 1028   2HG   LYS1045          HG2       LYS1045   3.344 -16.646  -2.529
 1029   1HD   LYS1045          HD1       LYS1045   3.984 -18.302  -4.216
 1030   2HD   LYS1045          HD2       LYS1045   2.383 -18.180  -4.946
 1031   1HE   LYS1045          HE1       LYS1045   4.334 -15.902  -4.666
 1032   2HE   LYS1045          HE2       LYS1045   4.110 -16.856  -6.130
 1033   1HZ   LYS1045          HZ1       LYS1045   1.984 -15.255  -4.818
 1034   2HZ   LYS1045          HZ2       LYS1045   2.889 -14.738  -6.157
 1035   3HZ   LYS1045          HZ3       LYS1045   1.858 -16.081  -6.292
 1036    H    MET1046           H        MET1046  -0.514 -19.128  -0.927
 1037    HA   MET1046           HA       MET1046   0.238 -21.538   0.385
 1038   1HB   MET1046          HB1       MET1046  -0.820 -19.650   1.558
 1039   2HB   MET1046          HB2       MET1046  -2.298 -19.919   0.649
 1040   1HG   MET1046          HG1       MET1046  -1.152 -22.135   2.261
 1041   2HG   MET1046          HG2       MET1046  -2.030 -20.839   3.075
 1042   1HE   MET1046          HE1       MET1046  -3.696 -22.719   4.030
 1043   2HE   MET1046          HE2       MET1046  -4.595 -23.836   3.004
 1044   3HE   MET1046          HE3       MET1046  -2.842 -23.976   3.137
 1045    H    ILE1047           H        ILE1047  -2.386 -20.657  -1.815
 1046    HA   ILE1047           HA       ILE1047  -3.608 -23.170  -2.045
 1047    HB   ILE1047           HB       ILE1047  -3.285 -20.992  -4.117
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.497 -20.266  -2.129
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.601 -20.409  -3.490
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.146 -23.362  -4.139
 1051   2HG2  ILE1047          2HG2      ILE1047  -5.157 -22.030  -5.295
 1052   3HG2  ILE1047          3HG2      ILE1047  -3.766 -23.109  -5.208
 1053   1HD1  ILE1047          1HD1      ILE1047  -6.602 -21.265  -1.456
 1054   2HD1  ILE1047          2HD1      ILE1047  -6.376 -22.559  -2.633
 1055   3HD1  ILE1047          3HD1      ILE1047  -5.272 -22.408  -1.266
 1056    H    SER1048           H        SER1048  -0.809 -21.755  -3.627
 1057    HA   SER1048           HA       SER1048  -0.250 -23.827  -5.450
 1058   1HB   SER1048          HB1       SER1048   1.654 -21.854  -4.132
 1059   2HB   SER1048          HB2       SER1048   1.997 -22.804  -5.584
 1060    HG   SER1048           HG       SER1048  -0.180 -20.987  -5.370
 1061    H    GLN1049           H        GLN1049   0.763 -23.236  -2.124
 1062    HA   GLN1049           HA       GLN1049   2.564 -25.442  -2.000
 1063   1HB   GLN1049          HB1       GLN1049   2.742 -23.425  -0.560
 1064   2HB   GLN1049          HB2       GLN1049   1.258 -23.905   0.253
 1065   1HG   GLN1049          HG1       GLN1049   3.140 -24.532   1.598
 1066   2HG   GLN1049          HG2       GLN1049   2.361 -25.986   0.975
 1067   1HE2  GLN1049          2HE2      GLN1049   4.411 -23.899  -0.933
 1068   2HE2  GLN1049          1HE2      GLN1049   5.722 -25.014  -1.103
 1069    H    SER1050           H        SER1050  -0.759 -24.892  -0.896
 1070    HA   SER1050           HA       SER1050  -1.042 -27.395   0.400
 1071   1HB   SER1050          HB1       SER1050  -2.449 -25.396   0.886
 1072   2HB   SER1050          HB2       SER1050  -3.221 -25.589  -0.688
 1073    HG   SER1050           HG       SER1050  -3.308 -27.334   1.547
 1074    H    ARG1051           H        ARG1051  -1.641 -26.275  -2.866
 1075    HA   ARG1051           HA       ARG1051  -2.128 -27.326  -4.806
 1076   1HB   ARG1051          HB1       ARG1051  -1.201 -29.733  -3.243
 1077   2HB   ARG1051          HB2       ARG1051  -1.683 -29.826  -4.929
 1078   1HG   ARG1051          HG1       ARG1051   0.469 -27.965  -3.969
 1079   2HG   ARG1051          HG2       ARG1051   0.790 -29.628  -4.459
 1080   1HD   ARG1051          HD1       ARG1051  -0.562 -27.569  -6.195
 1081   2HD   ARG1051          HD2       ARG1051   1.159 -27.943  -6.259
 1082    HE   ARG1051           HE       ARG1051  -0.910 -29.980  -6.804
 1083   1HH1  ARG1051          2HH1      ARG1051   1.977 -28.233  -7.715
 1084   2HH1  ARG1051          1HH1      ARG1051   2.362 -29.290  -9.043
 1085   1HH2  ARG1051          2HH2      ARG1051  -0.411 -31.389  -8.557
 1086   2HH2  ARG1051          1HH2      ARG1051   1.019 -31.092  -9.500
 1087    HA   PRO1052           HA       PRO1052  -6.356 -28.583  -3.642
 1088   1HB   PRO1052          HB1       PRO1052  -7.621 -26.991  -5.398
 1089   2HB   PRO1052          HB2       PRO1052  -7.030 -26.381  -3.848
 1090   1HG   PRO1052          HG1       PRO1052  -5.827 -26.110  -6.574
 1091   2HG   PRO1052          HG2       PRO1052  -5.939 -24.910  -5.275
 1092   1HD   PRO1052          HD1       PRO1052  -3.687 -26.389  -5.828
 1093   2HD   PRO1052          HD2       PRO1052  -4.050 -25.679  -4.244
 1094    H    HIS1053           H        HIS1053  -4.340 -28.761  -6.293
 1095    HA   HIS1053           HA       HIS1053  -5.851 -30.944  -7.440
 1096   1HB   HIS1053          HB1       HIS1053  -5.289 -29.997  -9.792
 1097   2HB   HIS1053          HB2       HIS1053  -6.698 -29.380  -8.944
 1098    HD1  HIS1053           HD1      HIS1053  -3.134 -28.389  -9.783
 1099    HD2  HIS1053           HD2      HIS1053  -6.716 -26.688  -8.539
 1100    HE1  HIS1053           HE1      HIS1053  -2.778 -25.903  -9.896
 1101    HE2  HIS1053           HE2      HIS1053  -5.033 -24.903  -9.350
  Start of MODEL    6
    1   1H    ARG 920           H        ARG 920  -7.187 -20.463  -3.100
    2    HA   ARG 920           HA       ARG 920  -8.580 -19.881  -0.615
    3   1HB   ARG 920          HB1       ARG 920  -6.027 -19.949  -0.832
    4   2HB   ARG 920          HB2       ARG 920  -6.173 -18.424  -1.695
    5   1HG   ARG 920          HG1       ARG 920  -5.712 -17.822   0.505
    6   2HG   ARG 920          HG2       ARG 920  -7.454 -17.584   0.336
    7   1HD   ARG 920          HD1       ARG 920  -7.595 -20.027   1.217
    8   2HD   ARG 920          HD2       ARG 920  -5.956 -19.721   1.797
    9    HE   ARG 920           HE       ARG 920  -8.177 -17.926   2.533
   10   1HH1  ARG 920          2HH1      ARG 920  -5.567 -20.078   3.474
   11   2HH1  ARG 920          1HH1      ARG 920  -5.762 -19.773   5.171
   12   1HH2  ARG 920          2HH2      ARG 920  -8.436 -17.549   4.786
   13   2HH2  ARG 920          1HH2      ARG 920  -7.372 -18.350   5.910
   14    H    SER 921           H        SER 921  -9.916 -18.215  -0.365
   15    HA   SER 921           HA       SER 921 -10.625 -16.648  -2.689
   16   1HB   SER 921          HB1       SER 921 -11.759 -16.666   0.107
   17   2HB   SER 921          HB2       SER 921 -12.498 -15.909  -1.304
   18    HG   SER 921           HG       SER 921 -13.110 -17.819  -2.032
   19    H    ASN 922           H        ASN 922  -8.045 -16.188  -1.303
   20    HA   ASN 922           HA       ASN 922  -6.646 -14.501  -0.729
   21   1HB   ASN 922          HB1       ASN 922  -8.357 -12.445  -1.983
   22   2HB   ASN 922          HB2       ASN 922  -6.636 -12.747  -2.172
   23   1HD2  ASN 922          2HD2      ASN 922  -5.972 -14.541  -3.483
   24   2HD2  ASN 922          1HD2      ASN 922  -6.971 -15.052  -4.796
   25    H    ASP 923           H        ASP 923  -7.427 -14.934   1.331
   26    HA   ASP 923           HA       ASP 923  -9.209 -13.655   2.931
   27   1HB   ASP 923          HB1       ASP 923  -7.767 -15.617   3.459
   28   2HB   ASP 923          HB2       ASP 923  -6.406 -14.526   3.664
   29    H    LYS 924           H        LYS 924  -8.134 -12.389   4.959
   30    HA   LYS 924           HA       LYS 924  -8.110  -9.778   4.779
   31   1HB   LYS 924          HB1       LYS 924  -7.210 -11.571   6.642
   32   2HB   LYS 924          HB2       LYS 924  -5.761 -10.634   6.316
   33   1HG   LYS 924          HG1       LYS 924  -8.415  -9.511   7.198
   34   2HG   LYS 924          HG2       LYS 924  -7.003  -9.759   8.224
   35   1HD   LYS 924          HD1       LYS 924  -5.754  -8.238   6.638
   36   2HD   LYS 924          HD2       LYS 924  -7.318  -7.845   5.925
   37   1HE   LYS 924          HE1       LYS 924  -6.551  -7.458   8.812
   38   2HE   LYS 924          HE2       LYS 924  -6.607  -6.193   7.588
   39   1HZ   LYS 924          HZ1       LYS 924  -8.897  -7.763   8.646
   40   2HZ   LYS 924          HZ2       LYS 924  -8.601  -6.110   8.852
   41   3HZ   LYS 924          HZ3       LYS 924  -9.008  -6.709   7.321
   42    H    VAL 925           H        VAL 925  -5.453 -11.657   3.467
   43    HA   VAL 925           HA       VAL 925  -3.563  -9.664   3.058
   44    HB   VAL 925           HB       VAL 925  -2.899 -11.077   1.029
   45   1HG1  VAL 925          1HG1      VAL 925  -1.986 -12.846   2.454
   46   2HG1  VAL 925          2HG1      VAL 925  -1.826 -11.266   3.217
   47   3HG1  VAL 925          3HG1      VAL 925  -3.088 -12.378   3.749
   48   1HG2  VAL 925          1HG2      VAL 925  -5.050 -12.096   0.581
   49   2HG2  VAL 925          2HG2      VAL 925  -3.864 -13.338   0.978
   50   3HG2  VAL 925          3HG2      VAL 925  -5.056 -12.842   2.179
   51    H    TYR 926           H        TYR 926  -6.212 -10.700   0.788
   52    HA   TYR 926           HA       TYR 926  -5.487  -8.549  -1.059
   53   1HB   TYR 926          HB1       TYR 926  -6.394 -10.561  -1.995
   54   2HB   TYR 926          HB2       TYR 926  -7.772 -10.544  -0.905
   55    HD1  TYR 926           HD1      TYR 926  -6.258  -8.129  -3.349
   56    HD2  TYR 926           HD2      TYR 926  -9.745 -10.116  -1.939
   57    HE1  TYR 926           HE1      TYR 926  -7.603  -6.962  -5.048
   58    HE2  TYR 926           HE2      TYR 926 -11.099  -8.952  -3.633
   59    HH   TYR 926           HH       TYR 926 -11.030  -6.963  -4.996
   60    H    GLU 927           H        GLU 927  -7.563  -9.075   1.641
   61    HA   GLU 927           HA       GLU 927  -9.466  -7.039   1.224
   62   1HB   GLU 927          HB1       GLU 927  -8.545  -8.616   3.596
   63   2HB   GLU 927          HB2       GLU 927  -9.679  -7.292   3.805
   64   1HG   GLU 927          HG1       GLU 927 -11.195  -8.384   2.194
   65   2HG   GLU 927          HG2       GLU 927 -10.065  -9.735   2.091
   66    H    ASN 928           H        ASN 928  -6.685  -7.087   3.488
   67    HA   ASN 928           HA       ASN 928  -7.141  -4.367   4.236
   68   1HB   ASN 928          HB1       ASN 928  -6.040  -6.252   5.623
   69   2HB   ASN 928          HB2       ASN 928  -4.570  -5.835   4.756
   70   1HD2  ASN 928          2HD2      ASN 928  -5.192  -2.961   4.676
   71   2HD2  ASN 928          1HD2      ASN 928  -4.956  -2.383   6.289
   72    H    VAL 929           H        VAL 929  -4.894  -5.949   2.003
   73    HA   VAL 929           HA       VAL 929  -3.350  -3.699   1.445
   74    HB   VAL 929           HB       VAL 929  -2.834  -5.989   0.639
   75   1HG1  VAL 929          1HG1      VAL 929  -3.835  -6.742  -1.470
   76   2HG1  VAL 929          2HG1      VAL 929  -5.012  -6.640  -0.161
   77   3HG1  VAL 929          3HG1      VAL 929  -4.962  -5.387  -1.402
   78   1HG2  VAL 929          1HG2      VAL 929  -2.872  -3.805  -1.438
   79   2HG2  VAL 929          2HG2      VAL 929  -1.627  -4.078  -0.219
   80   3HG2  VAL 929          3HG2      VAL 929  -1.876  -5.261  -1.504
   81    H    THR 930           H        THR 930  -6.545  -4.608   0.217
   82    HA   THR 930           HA       THR 930  -6.843  -2.448  -1.575
   83    HB   THR 930           HB       THR 930  -8.979  -3.763   0.134
   84    HG1  THR 930           HG1      THR 930  -8.045  -5.324  -1.176
   85   1HG2  THR 930          1HG2      THR 930 -10.550  -2.957  -1.548
   86   2HG2  THR 930          2HG2      THR 930  -9.675  -1.606  -0.828
   87   3HG2  THR 930          3HG2      THR 930  -9.233  -2.186  -2.433
   88    H    GLY 931           H        GLY 931  -7.342  -2.817   1.869
   89   1HA   GLY 931          HA1       GLY 931  -8.194  -0.250   2.564
   90   2HA   GLY 931          HA2       GLY 931  -7.266  -1.317   3.606
   91    H    LEU 932           H        LEU 932  -4.973  -1.372   1.690
   92    HA   LEU 932           HA       LEU 932  -3.543   0.895   2.588
   93   1HB   LEU 932          HB1       LEU 932  -2.377  -1.111   2.100
   94   2HB   LEU 932          HB2       LEU 932  -3.086  -1.221   0.502
   95    HG   LEU 932           HG       LEU 932  -1.666   0.542  -0.315
   96   1HD1  LEU 932          1HD1      LEU 932  -1.597   1.987   1.632
   97   2HD1  LEU 932          2HD1      LEU 932  -0.641   0.788   2.504
   98   3HD1  LEU 932          3HD1      LEU 932   0.036   1.596   1.090
   99   1HD2  LEU 932          1HD2      LEU 932  -0.116  -1.431   1.355
  100   2HD2  LEU 932          2HD2      LEU 932  -0.743  -1.710  -0.268
  101   3HD2  LEU 932          3HD2      LEU 932   0.524  -0.511  -0.006
  102    H    VAL 933           H        VAL 933  -5.318   0.099  -0.330
  103    HA   VAL 933           HA       VAL 933  -4.760   2.587  -1.639
  104    HB   VAL 933           HB       VAL 933  -6.970   0.589  -2.169
  105   1HG1  VAL 933          1HG1      VAL 933  -5.908   2.829  -3.891
  106   2HG1  VAL 933          2HG1      VAL 933  -7.106   1.631  -4.384
  107   3HG1  VAL 933          3HG1      VAL 933  -7.484   2.781  -3.100
  108   1HG2  VAL 933          1HG2      VAL 933  -4.271   0.911  -3.487
  109   2HG2  VAL 933          2HG2      VAL 933  -4.739  -0.392  -2.393
  110   3HG2  VAL 933          3HG2      VAL 933  -5.527  -0.234  -3.962
  111    H    LYS 934           H        LYS 934  -7.352   1.314   0.388
  112    HA   LYS 934           HA       LYS 934  -9.194   3.387   0.173
  113   1HB   LYS 934          HB1       LYS 934  -8.609   1.784   2.666
  114   2HB   LYS 934          HB2       LYS 934 -10.080   2.675   2.325
  115   1HG   LYS 934          HG1       LYS 934  -9.094   0.286   0.787
  116   2HG   LYS 934          HG2       LYS 934 -10.342   0.259   2.032
  117   1HD   LYS 934          HD1       LYS 934 -11.654   0.369   0.160
  118   2HD   LYS 934          HD2       LYS 934 -11.440   2.091   0.479
  119   1HE   LYS 934          HE1       LYS 934  -9.653   2.204  -1.154
  120   2HE   LYS 934          HE2       LYS 934  -9.757   0.464  -1.427
  121   1HZ   LYS 934          HZ1       LYS 934 -10.921   1.655  -3.159
  122   2HZ   LYS 934          HZ2       LYS 934 -12.037   0.784  -2.226
  123   3HZ   LYS 934          HZ3       LYS 934 -11.884   2.463  -2.020
  124    H    ALA 935           H        ALA 935  -6.334   3.099   2.201
  125    HA   ALA 935           HA       ALA 935  -6.942   5.504   3.636
  126   1HB   ALA 935          HB1       ALA 935  -4.841   5.180   4.768
  127   2HB   ALA 935          HB2       ALA 935  -5.770   3.682   4.726
  128   3HB   ALA 935          HB3       ALA 935  -4.408   3.906   3.630
  129    H    VAL 936           H        VAL 936  -5.031   4.719   0.775
  130    HA   VAL 936           HA       VAL 936  -4.041   7.417   0.681
  131    HB   VAL 936           HB       VAL 936  -2.761   5.646  -0.436
  132   1HG1  VAL 936          1HG1      VAL 936  -4.993   5.583  -2.463
  133   2HG1  VAL 936          2HG1      VAL 936  -3.472   4.694  -2.541
  134   3HG1  VAL 936          3HG1      VAL 936  -4.649   4.319  -1.283
  135   1HG2  VAL 936          1HG2      VAL 936  -3.760   7.803  -2.288
  136   2HG2  VAL 936          2HG2      VAL 936  -2.435   7.933  -1.131
  137   3HG2  VAL 936          3HG2      VAL 936  -2.290   6.855  -2.519
  138    H    ILE 937           H        ILE 937  -6.948   5.799  -0.108
  139    HA   ILE 937           HA       ILE 937  -8.094   7.969  -1.575
  140    HB   ILE 937           HB       ILE 937  -9.449   5.806   0.052
  141   1HG1  ILE 937          1HG1      ILE 937  -8.258   4.920  -1.879
  142   2HG1  ILE 937          2HG1      ILE 937  -9.993   4.850  -2.169
  143   1HG2  ILE 937          1HG2      ILE 937 -10.668   7.783  -1.874
  144   2HG2  ILE 937          2HG2      ILE 937 -11.514   6.455  -1.080
  145   3HG2  ILE 937          3HG2      ILE 937 -10.867   7.787  -0.122
  146   1HD1  ILE 937          1HD1      ILE 937  -9.837   6.855  -3.553
  147   2HD1  ILE 937          2HD1      ILE 937  -8.097   6.913  -3.263
  148   3HD1  ILE 937          3HD1      ILE 937  -8.798   5.561  -4.152
  149    H    GLU 938           H        GLU 938  -8.007   7.001   1.852
  150    HA   GLU 938           HA       GLU 938  -9.152   9.209   3.062
  151   1HB   GLU 938          HB1       GLU 938  -6.559   7.856   3.863
  152   2HB   GLU 938          HB2       GLU 938  -7.467   8.960   4.883
  153   1HG   GLU 938          HG1       GLU 938  -8.543   6.352   3.828
  154   2HG   GLU 938          HG2       GLU 938  -7.825   6.567   5.424
  155    H    MET 939           H        MET 939  -5.912   8.817   1.773
  156    HA   MET 939           HA       MET 939  -4.871  11.309   2.465
  157   1HB   MET 939          HB1       MET 939  -3.657   9.264   1.527
  158   2HB   MET 939          HB2       MET 939  -4.182   9.806  -0.061
  159   1HG   MET 939          HG1       MET 939  -3.050  12.018   0.538
  160   2HG   MET 939          HG2       MET 939  -2.274  11.112   1.835
  161   1HE   MET 939          HE1       MET 939  -3.261  10.124  -1.854
  162   2HE   MET 939          HE2       MET 939  -2.568  11.741  -1.981
  163   3HE   MET 939          HE3       MET 939  -1.717  10.361  -2.674
  164    H    SER 940           H        SER 940  -6.798  10.266  -0.273
  165    HA   SER 940           HA       SER 940  -6.629  12.736  -1.688
  166   1HB   SER 940          HB1       SER 940  -8.607  10.460  -1.958
  167   2HB   SER 940          HB2       SER 940  -8.372  11.768  -3.118
  168    HG   SER 940           HG       SER 940  -6.499   9.761  -2.373
  169    H    SER 941           H        SER 941  -8.869  11.388   0.679
  170    HA   SER 941           HA       SER 941 -10.889  13.393   0.173
  171   1HB   SER 941          HB1       SER 941 -10.671  11.368   2.419
  172   2HB   SER 941          HB2       SER 941 -12.106  12.304   1.994
  173    HG   SER 941           HG       SER 941 -10.913  10.145   0.653
  174    H    LYS 942           H        LYS 942  -8.535  12.578   2.595
  175    HA   LYS 942           HA       LYS 942  -9.099  14.519   4.507
  176   1HB   LYS 942          HB1       LYS 942  -7.506  12.388   4.412
  177   2HB   LYS 942          HB2       LYS 942  -6.297  13.600   4.031
  178   1HG   LYS 942          HG1       LYS 942  -8.052  13.738   6.463
  179   2HG   LYS 942          HG2       LYS 942  -6.473  12.948   6.439
  180   1HD   LYS 942          HD1       LYS 942  -5.416  15.022   5.798
  181   2HD   LYS 942          HD2       LYS 942  -6.988  15.823   5.720
  182   1HE   LYS 942          HE1       LYS 942  -5.643  14.685   8.174
  183   2HE   LYS 942          HE2       LYS 942  -5.905  16.389   7.804
  184   1HZ   LYS 942          HZ1       LYS 942  -7.576  15.737   9.329
  185   2HZ   LYS 942          HZ2       LYS 942  -8.334  15.881   7.820
  186   3HZ   LYS 942          HZ3       LYS 942  -7.962  14.347   8.435
  187    H    ILE 943           H        ILE 943  -7.159  14.644   1.555
  188    HA   ILE 943           HA       ILE 943  -6.007  17.199   2.185
  189    HB   ILE 943           HB       ILE 943  -4.860  15.570   0.669
  190   1HG1  ILE 943          1HG1      ILE 943  -5.452  18.318  -0.446
  191   2HG1  ILE 943          2HG1      ILE 943  -4.163  17.894   0.674
  192   1HG2  ILE 943          1HG2      ILE 943  -6.780  14.794  -0.595
  193   2HG2  ILE 943          2HG2      ILE 943  -6.980  16.398  -1.303
  194   3HG2  ILE 943          3HG2      ILE 943  -5.544  15.444  -1.672
  195   1HD1  ILE 943          1HD1      ILE 943  -4.402  16.966  -2.179
  196   2HD1  ILE 943          2HD1      ILE 943  -3.307  18.207  -1.569
  197   3HD1  ILE 943          3HD1      ILE 943  -3.112  16.530  -1.057
  198    H    GLN 944           H        GLN 944  -8.920  16.097   0.624
  199    HA   GLN 944           HA       GLN 944  -9.564  18.248  -0.971
  200   1HB   GLN 944          HB1       GLN 944 -11.443  16.621   0.745
  201   2HB   GLN 944          HB2       GLN 944 -11.952  17.717  -0.531
  202   1HG   GLN 944          HG1       GLN 944 -10.257  15.255  -0.877
  203   2HG   GLN 944          HG2       GLN 944 -11.961  15.420  -1.296
  204   1HE2  GLN 944          2HE2      GLN 944  -9.577  14.796  -2.922
  205   2HE2  GLN 944          1HE2      GLN 944  -9.571  15.955  -4.210
  206    HA   PRO 945           HA       PRO 945 -10.933  20.941   2.604
  207   1HB   PRO 945          HB1       PRO 945 -11.672  19.993   4.980
  208   2HB   PRO 945          HB2       PRO 945 -12.694  19.751   3.557
  209   1HG   PRO 945          HG1       PRO 945 -10.994  17.810   5.009
  210   2HG   PRO 945          HG2       PRO 945 -12.454  17.528   4.048
  211   1HD   PRO 945          HD1       PRO 945  -9.711  17.245   3.246
  212   2HD   PRO 945          HD2       PRO 945 -11.170  16.950   2.283
  213    H    ALA 946           H        ALA 946  -8.157  19.822   2.434
  214    HA   ALA 946           HA       ALA 946  -7.205  20.142   5.192
  215   1HB   ALA 946          HB1       ALA 946  -6.602  18.048   4.124
  216   2HB   ALA 946          HB2       ALA 946  -5.808  18.929   2.819
  217   3HB   ALA 946          HB3       ALA 946  -5.167  19.017   4.459
  218    HA   PRO 947           HA       PRO 947  -4.777  23.768   3.998
  219   1HB   PRO 947          HB1       PRO 947  -4.056  24.347   6.539
  220   2HB   PRO 947          HB2       PRO 947  -5.622  24.839   5.884
  221   1HG   PRO 947          HG1       PRO 947  -4.951  22.527   7.658
  222   2HG   PRO 947          HG2       PRO 947  -6.332  23.635   7.736
  223   1HD   PRO 947          HD1       PRO 947  -6.464  21.131   6.648
  224   2HD   PRO 947          HD2       PRO 947  -7.510  22.474   6.151
  225    HA   PRO 948           HA       PRO 948  -0.764  21.920   3.884
  226   1HB   PRO 948          HB1       PRO 948   0.772  23.525   5.616
  227   2HB   PRO 948          HB2       PRO 948   0.579  23.737   3.874
  228   1HG   PRO 948          HG1       PRO 948  -0.812  25.107   6.119
  229   2HG   PRO 948          HG2       PRO 948  -0.364  25.732   4.522
  230   1HD   PRO 948          HD1       PRO 948  -2.900  25.109   5.114
  231   2HD   PRO 948          HD2       PRO 948  -2.226  24.798   3.499
  232    H    GLU 949           H        GLU 949  -1.672  22.902   7.110
  233    HA   GLU 949           HA       GLU 949  -0.027  21.198   8.585
  234   1HB   GLU 949          HB1       GLU 949  -2.732  22.343   9.250
  235   2HB   GLU 949          HB2       GLU 949  -1.636  21.615  10.417
  236   1HG   GLU 949          HG1       GLU 949   0.021  23.334   9.939
  237   2HG   GLU 949          HG2       GLU 949  -1.072  24.063   8.764
  238    H    GLU 950           H        GLU 950  -2.942  20.545   6.820
  239    HA   GLU 950           HA       GLU 950  -3.240  17.962   8.197
  240   1HB   GLU 950          HB1       GLU 950  -5.103  19.301   6.244
  241   2HB   GLU 950          HB2       GLU 950  -5.388  17.766   7.056
  242   1HG   GLU 950          HG1       GLU 950  -5.050  20.412   8.460
  243   2HG   GLU 950          HG2       GLU 950  -6.603  19.679   8.063
  244    H    TYR 951           H        TYR 951  -2.101  19.362   5.288
  245    HA   TYR 951           HA       TYR 951  -2.383  17.269   3.476
  246   1HB   TYR 951          HB1       TYR 951  -0.232  19.309   3.911
  247   2HB   TYR 951          HB2       TYR 951   0.011  18.030   2.735
  248    HD1  TYR 951           HD1      TYR 951  -0.767  18.269   0.575
  249    HD2  TYR 951           HD2      TYR 951  -2.297  20.819   3.601
  250    HE1  TYR 951           HE1      TYR 951  -1.833  19.647  -1.141
  251    HE2  TYR 951           HE2      TYR 951  -3.383  22.202   1.891
  252    HH   TYR 951           HH       TYR 951  -3.034  22.714  -0.547
  253    H    VAL 952           H        VAL 952   0.206  17.818   5.880
  254    HA   VAL 952           HA       VAL 952   1.457  15.357   5.233
  255    HB   VAL 952           HB       VAL 952   3.003  16.770   6.121
  256   1HG1  VAL 952          1HG1      VAL 952   1.601  18.498   6.993
  257   2HG1  VAL 952          2HG1      VAL 952   1.080  17.472   8.331
  258   3HG1  VAL 952          3HG1      VAL 952   2.751  18.031   8.244
  259   1HG2  VAL 952          1HG2      VAL 952   2.223  15.107   8.515
  260   2HG2  VAL 952          2HG2      VAL 952   3.222  14.575   7.163
  261   3HG2  VAL 952          3HG2      VAL 952   3.798  15.852   8.234
  262    HA   PRO 953           HA       PRO 953  -1.031  13.456   9.049
  263   1HB   PRO 953          HB1       PRO 953  -3.424  15.145   8.575
  264   2HB   PRO 953          HB2       PRO 953  -2.862  14.398  10.081
  265   1HG   PRO 953          HG1       PRO 953  -2.510  16.985   9.704
  266   2HG   PRO 953          HG2       PRO 953  -1.202  16.007  10.400
  267   1HD   PRO 953          HD1       PRO 953  -1.509  17.053   7.608
  268   2HD   PRO 953          HD2       PRO 953  -0.052  16.954   8.618
  269    H    MET 954           H        MET 954  -2.534  14.881   6.191
  270    HA   MET 954           HA       MET 954  -4.298  12.774   5.614
  271   1HB   MET 954          HB1       MET 954  -4.873  14.554   4.348
  272   2HB   MET 954          HB2       MET 954  -3.232  15.164   4.284
  273   1HG   MET 954          HG1       MET 954  -3.777  12.777   2.666
  274   2HG   MET 954          HG2       MET 954  -4.599  14.253   2.170
  275   1HE   MET 954          HE1       MET 954  -2.918  13.230  -0.044
  276   2HE   MET 954          HE2       MET 954  -3.497  14.895  -0.057
  277   3HE   MET 954          HE3       MET 954  -1.811  14.547  -0.437
  278    H    VAL 955           H        VAL 955  -1.124  13.522   4.229
  279    HA   VAL 955           HA       VAL 955  -0.704  11.065   3.022
  280    HB   VAL 955           HB       VAL 955   0.800  13.308   3.200
  281   1HG1  VAL 955          1HG1      VAL 955   2.981  12.721   4.148
  282   2HG1  VAL 955          2HG1      VAL 955   1.714  12.841   5.369
  283   3HG1  VAL 955          3HG1      VAL 955   2.269  11.257   4.827
  284   1HG2  VAL 955          1HG2      VAL 955   2.435  12.129   1.838
  285   2HG2  VAL 955          2HG2      VAL 955   1.769  10.584   2.365
  286   3HG2  VAL 955          3HG2      VAL 955   0.790  11.682   1.391
  287    H    LYS 956           H        LYS 956  -0.587  11.850   6.391
  288    HA   LYS 956           HA       LYS 956   0.927   9.592   7.246
  289   1HB   LYS 956          HB1       LYS 956   0.423  11.591   8.673
  290   2HB   LYS 956          HB2       LYS 956  -1.244  11.046   8.771
  291   1HG   LYS 956          HG1       LYS 956  -0.208   8.843   9.665
  292   2HG   LYS 956          HG2       LYS 956   1.207   9.846   9.984
  293   1HD   LYS 956          HD1       LYS 956   0.009   9.907  11.989
  294   2HD   LYS 956          HD2       LYS 956  -0.432  11.417  11.190
  295   1HE   LYS 956          HE1       LYS 956  -2.081   8.905  10.985
  296   2HE   LYS 956          HE2       LYS 956  -2.329  10.108  12.246
  297   1HZ   LYS 956          HZ1       LYS 956  -3.083  11.662  10.737
  298   2HZ   LYS 956          HZ2       LYS 956  -2.361  10.901   9.407
  299   3HZ   LYS 956          HZ3       LYS 956  -3.740  10.224  10.118
  300    H    GLU 957           H        GLU 957  -2.440  10.192   6.564
  301    HA   GLU 957           HA       GLU 957  -3.610   7.866   7.511
  302   1HB   GLU 957          HB1       GLU 957  -4.374   9.343   4.987
  303   2HB   GLU 957          HB2       GLU 957  -5.409   8.269   5.918
  304   1HG   GLU 957          HG1       GLU 957  -4.253  10.856   6.937
  305   2HG   GLU 957          HG2       GLU 957  -5.881  10.661   6.291
  306    H    VAL 958           H        VAL 958  -2.192   8.421   4.241
  307    HA   VAL 958           HA       VAL 958  -2.568   5.703   3.474
  308    HB   VAL 958           HB       VAL 958  -2.219   7.503   1.805
  309   1HG1  VAL 958          1HG1      VAL 958   0.641   7.420   2.731
  310   2HG1  VAL 958          2HG1      VAL 958   0.068   8.224   1.269
  311   3HG1  VAL 958          3HG1      VAL 958  -0.470   8.782   2.854
  312   1HG2  VAL 958          1HG2      VAL 958  -0.280   5.204   1.662
  313   2HG2  VAL 958          2HG2      VAL 958  -1.966   5.198   1.141
  314   3HG2  VAL 958          3HG2      VAL 958  -0.786   6.198   0.294
  315    H    GLY 959           H        GLY 959  -0.154   7.278   5.408
  316   1HA   GLY 959          HA1       GLY 959   1.853   5.263   5.201
  317   2HA   GLY 959          HA2       GLY 959   1.687   6.423   6.512
  318    H    LEU 960           H        LEU 960  -0.729   5.842   7.557
  319    HA   LEU 960           HA       LEU 960  -0.478   3.472   9.014
  320   1HB   LEU 960          HB1       LEU 960  -2.707   5.376   8.493
  321   2HB   LEU 960          HB2       LEU 960  -3.109   3.824   9.200
  322    HG   LEU 960           HG       LEU 960  -2.855   5.518  10.925
  323   1HD1  LEU 960          1HD1      LEU 960  -1.271   4.358  12.358
  324   2HD1  LEU 960          2HD1      LEU 960  -2.253   3.211  11.446
  325   3HD1  LEU 960          3HD1      LEU 960  -0.591   3.533  10.956
  326   1HD2  LEU 960          1HD2      LEU 960  -0.021   5.798   9.928
  327   2HD2  LEU 960          2HD2      LEU 960  -1.297   7.008   9.784
  328   3HD2  LEU 960          3HD2      LEU 960  -0.686   6.554  11.377
  329    H    ALA 961           H        ALA 961  -1.655   4.012   5.856
  330    HA   ALA 961           HA       ALA 961  -3.329   1.769   5.531
  331   1HB   ALA 961          HB1       ALA 961  -3.226   3.634   3.937
  332   2HB   ALA 961          HB2       ALA 961  -1.627   3.090   3.429
  333   3HB   ALA 961          HB3       ALA 961  -3.037   2.065   3.154
  334    H    LEU 962           H        LEU 962   0.089   2.154   4.482
  335    HA   LEU 962           HA       LEU 962   0.362  -0.610   3.939
  336   1HB   LEU 962          HB1       LEU 962   1.819   0.765   2.742
  337   2HB   LEU 962          HB2       LEU 962   2.286   1.676   4.174
  338    HG   LEU 962           HG       LEU 962   3.474  -0.405   4.987
  339   1HD1  LEU 962          1HD1      LEU 962   4.041  -2.095   3.329
  340   2HD1  LEU 962          2HD1      LEU 962   2.300  -2.028   3.601
  341   3HD1  LEU 962          3HD1      LEU 962   2.996  -1.303   2.151
  342   1HD2  LEU 962          1HD2      LEU 962   4.409   0.822   2.395
  343   2HD2  LEU 962          2HD2      LEU 962   4.680   1.467   4.013
  344   3HD2  LEU 962          3HD2      LEU 962   5.416  -0.064   3.538
  345    H    ARG 963           H        ARG 963   1.045   1.361   6.824
  346    HA   ARG 963           HA       ARG 963   2.310  -0.526   8.384
  347   1HB   ARG 963          HB1       ARG 963   1.870   1.854   8.994
  348   2HB   ARG 963          HB2       ARG 963   0.198   1.421   9.322
  349   1HG   ARG 963          HG1       ARG 963   1.422   1.530  11.386
  350   2HG   ARG 963          HG2       ARG 963   0.978  -0.147  11.061
  351   1HD   ARG 963          HD1       ARG 963   3.248  -0.484  10.088
  352   2HD   ARG 963          HD2       ARG 963   3.665   1.142  10.622
  353    HE   ARG 963           HE       ARG 963   2.728  -0.146  12.869
  354   1HH1  ARG 963          2HH1      ARG 963   5.352  -0.543  10.573
  355   2HH1  ARG 963          1HH1      ARG 963   6.359  -1.436  11.678
  356   1HH2  ARG 963          2HH2      ARG 963   4.073  -1.276  14.344
  357   2HH2  ARG 963          1HH2      ARG 963   5.631  -1.859  13.823
  358    H    THR 964           H        THR 964  -1.206   0.113   8.513
  359    HA   THR 964           HA       THR 964  -1.958  -2.158   9.906
  360    HB   THR 964           HB       THR 964  -3.594  -0.915   7.683
  361    HG1  THR 964           HG1      THR 964  -3.083   0.774   9.000
  362   1HG2  THR 964          1HG2      THR 964  -4.409  -2.341  10.221
  363   2HG2  THR 964          2HG2      THR 964  -5.508  -1.605   9.054
  364   3HG2  THR 964          3HG2      THR 964  -4.524  -2.992   8.585
  365    H    LEU 965           H        LEU 965  -1.295  -1.739   6.516
  366    HA   LEU 965           HA       LEU 965  -2.109  -4.262   5.578
  367   1HB   LEU 965          HB1       LEU 965  -1.775  -2.377   4.116
  368   2HB   LEU 965          HB2       LEU 965  -0.090  -2.268   4.566
  369    HG   LEU 965           HG       LEU 965  -0.656  -3.223   2.277
  370   1HD1  LEU 965          1HD1      LEU 965   1.173  -4.831   2.392
  371   2HD1  LEU 965          2HD1      LEU 965   1.552  -3.349   3.268
  372   3HD1  LEU 965          3HD1      LEU 965   1.087  -4.803   4.152
  373   1HD2  LEU 965          1HD2      LEU 965  -2.461  -4.704   2.927
  374   2HD2  LEU 965          2HD2      LEU 965  -1.136  -5.633   2.227
  375   3HD2  LEU 965          3HD2      LEU 965  -1.368  -5.612   3.974
  376    H    LEU 966           H        LEU 966   0.721  -3.188   7.260
  377    HA   LEU 966           HA       LEU 966   2.427  -5.372   6.582
  378   1HB   LEU 966          HB1       LEU 966   2.499  -3.488   8.937
  379   2HB   LEU 966          HB2       LEU 966   3.730  -4.694   8.617
  380    HG   LEU 966           HG       LEU 966   3.038  -2.367   6.821
  381   1HD1  LEU 966          1HD1      LEU 966   5.434  -2.880   8.578
  382   2HD1  LEU 966          2HD1      LEU 966   5.259  -1.539   7.447
  383   3HD1  LEU 966          3HD1      LEU 966   4.185  -1.661   8.841
  384   1HD2  LEU 966          1HD2      LEU 966   5.023  -3.053   5.547
  385   2HD2  LEU 966          2HD2      LEU 966   5.175  -4.482   6.570
  386   3HD2  LEU 966          3HD2      LEU 966   3.766  -4.290   5.527
  387    H    ALA 967           H        ALA 967  -0.019  -4.863   9.035
  388    HA   ALA 967           HA       ALA 967   0.462  -7.217  10.534
  389   1HB   ALA 967          HB1       ALA 967  -1.074  -5.460  11.289
  390   2HB   ALA 967          HB2       ALA 967  -2.178  -5.864   9.975
  391   3HB   ALA 967          HB3       ALA 967  -1.865  -7.037  11.254
  392    H    THR 968           H        THR 968  -1.517  -6.583   7.675
  393    HA   THR 968           HA       THR 968  -2.313  -9.243   7.164
  394    HB   THR 968           HB       THR 968  -2.039  -6.786   5.481
  395    HG1  THR 968           HG1      THR 968  -4.365  -8.154   5.357
  396   1HG2  THR 968          1HG2      THR 968  -1.302  -8.562   3.993
  397   2HG2  THR 968          2HG2      THR 968  -2.717  -9.524   4.416
  398   3HG2  THR 968          3HG2      THR 968  -2.913  -8.006   3.540
  399    H    VAL 969           H        VAL 969   0.535  -7.417   6.157
  400    HA   VAL 969           HA       VAL 969   1.820  -9.318   4.609
  401    HB   VAL 969           HB       VAL 969   2.994  -7.257   6.475
  402   1HG1  VAL 969          1HG1      VAL 969   5.124  -7.575   5.314
  403   2HG1  VAL 969          2HG1      VAL 969   4.636  -9.039   6.167
  404   3HG1  VAL 969          3HG1      VAL 969   4.436  -8.928   4.417
  405   1HG2  VAL 969          1HG2      VAL 969   2.724  -7.343   3.477
  406   2HG2  VAL 969          2HG2      VAL 969   1.707  -6.410   4.575
  407   3HG2  VAL 969          3HG2      VAL 969   3.423  -6.030   4.421
  408    H    ASP 970           H        ASP 970   1.486  -9.193   8.100
  409    HA   ASP 970           HA       ASP 970   3.465 -11.207   8.600
  410   1HB   ASP 970          HB1       ASP 970   2.706  -9.459  10.271
  411   2HB   ASP 970          HB2       ASP 970   1.212 -10.370  10.434
  412    H    GLU 971           H        GLU 971   0.134 -11.226   7.805
  413    HA   GLU 971           HA       GLU 971  -0.298 -14.024   8.306
  414   1HB   GLU 971          HB1       GLU 971  -1.613 -12.169   6.310
  415   2HB   GLU 971          HB2       GLU 971  -2.192 -13.775   6.735
  416   1HG   GLU 971          HG1       GLU 971  -1.863 -11.545   8.712
  417   2HG   GLU 971          HG2       GLU 971  -3.371 -11.888   7.850
  418    H    SER 972           H        SER 972   0.598 -12.108   5.517
  419    HA   SER 972           HA       SER 972   1.033 -14.253   3.751
  420   1HB   SER 972          HB1       SER 972   0.611 -11.931   3.043
  421   2HB   SER 972          HB2       SER 972   2.191 -11.462   3.691
  422    HG   SER 972           HG       SER 972   3.121 -12.977   2.214
  423    H    LEU 973           H        LEU 973   2.917 -12.892   6.301
  424    HA   LEU 973           HA       LEU 973   5.490 -13.546   5.423
  425   1HB   LEU 973          HB1       LEU 973   4.981 -12.040   7.320
  426   2HB   LEU 973          HB2       LEU 973   4.493 -13.427   8.273
  427    HG   LEU 973           HG       LEU 973   6.784 -14.314   8.151
  428   1HD1  LEU 973          1HD1      LEU 973   8.581 -12.879   7.279
  429   2HD1  LEU 973          2HD1      LEU 973   7.450 -13.364   6.015
  430   3HD1  LEU 973          3HD1      LEU 973   7.369 -11.738   6.694
  431   1HD2  LEU 973          1HD2      LEU 973   6.086 -12.867  10.011
  432   2HD2  LEU 973          2HD2      LEU 973   7.802 -12.696   9.642
  433   3HD2  LEU 973          3HD2      LEU 973   6.657 -11.461   9.114
  434    HA   PRO 974           HA       PRO 974   4.987 -17.935   7.550
  435   1HB   PRO 974          HB1       PRO 974   2.022 -18.136   7.333
  436   2HB   PRO 974          HB2       PRO 974   3.111 -18.822   8.547
  437   1HG   PRO 974          HG1       PRO 974   1.600 -16.713   9.117
  438   2HG   PRO 974          HG2       PRO 974   3.266 -16.830   9.719
  439   1HD   PRO 974          HD1       PRO 974   2.178 -15.212   7.450
  440   2HD   PRO 974          HD2       PRO 974   3.420 -14.786   8.644
  441    H    VAL 975           H        VAL 975   2.832 -16.465   5.193
  442    HA   VAL 975           HA       VAL 975   2.873 -18.746   3.399
  443    HB   VAL 975           HB       VAL 975   2.239 -15.875   2.717
  444   1HG1  VAL 975          1HG1      VAL 975   0.989 -16.848   0.864
  445   2HG1  VAL 975          2HG1      VAL 975   2.696 -17.290   0.788
  446   3HG1  VAL 975          3HG1      VAL 975   1.506 -18.461   1.358
  447   1HG2  VAL 975          1HG2      VAL 975  -0.109 -16.492   3.052
  448   2HG2  VAL 975          2HG2      VAL 975   0.393 -18.086   3.614
  449   3HG2  VAL 975          3HG2      VAL 975   0.819 -16.649   4.543
  450    H    LEU 976           H        LEU 976   5.089 -16.304   4.162
  451    HA   LEU 976           HA       LEU 976   6.411 -16.076   1.683
  452   1HB   LEU 976          HB1       LEU 976   6.733 -14.296   3.115
  453   2HB   LEU 976          HB2       LEU 976   7.120 -15.316   4.488
  454    HG   LEU 976           HG       LEU 976   9.040 -15.375   2.230
  455   1HD1  LEU 976          1HD1      LEU 976   8.735 -12.978   4.040
  456   2HD1  LEU 976          2HD1      LEU 976  10.084 -13.276   2.943
  457   3HD1  LEU 976          3HD1      LEU 976   8.465 -13.003   2.297
  458   1HD2  LEU 976          1HD2      LEU 976   9.340 -15.109   5.220
  459   2HD2  LEU 976          2HD2      LEU 976   9.416 -16.618   4.310
  460   3HD2  LEU 976          3HD2      LEU 976  10.646 -15.377   4.066
  461    HA   PRO 977           HA       PRO 977   9.493 -19.490   3.255
  462   1HB   PRO 977          HB1       PRO 977   7.789 -20.887   5.236
  463   2HB   PRO 977          HB2       PRO 977   9.526 -20.565   5.280
  464   1HG   PRO 977          HG1       PRO 977   7.839 -19.220   6.846
  465   2HG   PRO 977          HG2       PRO 977   9.242 -18.423   6.109
  466   1HD   PRO 977          HD1       PRO 977   6.363 -18.325   5.301
  467   2HD   PRO 977          HD2       PRO 977   7.567 -17.023   5.343
  468    H    ALA 978           H        ALA 978   5.996 -19.816   3.317
  469    HA   ALA 978           HA       ALA 978   5.845 -22.347   2.074
  470   1HB   ALA 978          HB1       ALA 978   3.524 -21.805   1.620
  471   2HB   ALA 978          HB2       ALA 978   3.956 -21.319   3.259
  472   3HB   ALA 978          HB3       ALA 978   3.828 -20.107   1.984
  473    H    SER 979           H        SER 979   5.424 -19.079   0.629
  474    HA   SER 979           HA       SER 979   6.579 -19.916  -1.857
  475   1HB   SER 979          HB1       SER 979   3.573 -19.628  -1.654
  476   2HB   SER 979          HB2       SER 979   4.454 -19.606  -3.186
  477    HG   SER 979           HG       SER 979   5.125 -21.723  -1.578
  478    H    THR 980           H        THR 980   4.639 -17.500  -0.135
  479    HA   THR 980           HA       THR 980   4.569 -15.608  -2.205
  480    HB   THR 980           HB       THR 980   3.102 -15.639  -0.104
  481    HG1  THR 980           HG1      THR 980   3.056 -13.210  -0.265
  482   1HG2  THR 980          1HG2      THR 980   4.880 -15.487   1.560
  483   2HG2  THR 980          2HG2      THR 980   5.399 -13.946   0.877
  484   3HG2  THR 980          3HG2      THR 980   3.820 -14.080   1.650
  485    H    HIS 981           H        HIS 981   7.203 -16.387  -0.182
  486    HA   HIS 981           HA       HIS 981   8.540 -14.061   0.322
  487   1HB   HIS 981          HB1       HIS 981   9.355 -16.273   0.995
  488   2HB   HIS 981          HB2       HIS 981   9.723 -16.667  -0.676
  489    HD1  HIS 981           HD1      HIS 981  11.098 -14.989   2.310
  490    HD2  HIS 981           HD2      HIS 981  12.039 -15.359  -1.716
  491    HE1  HIS 981           HE1      HIS 981  13.468 -14.197   2.101
  492    HE2  HIS 981           HE2      HIS 981  13.942 -14.233  -0.371
  493    H    ARG 982           H        ARG 982   7.928 -15.389  -2.791
  494    HA   ARG 982           HA       ARG 982   9.992 -13.854  -4.131
  495   1HB   ARG 982          HB1       ARG 982   9.181 -15.931  -5.159
  496   2HB   ARG 982          HB2       ARG 982   7.565 -15.251  -5.282
  497   1HG   ARG 982          HG1       ARG 982   8.571 -15.094  -7.426
  498   2HG   ARG 982          HG2       ARG 982   8.518 -13.463  -6.751
  499   1HD   ARG 982          HD1       ARG 982  10.666 -13.674  -7.687
  500   2HD   ARG 982          HD2       ARG 982  10.896 -13.885  -5.952
  501    HE   ARG 982           HE       ARG 982  10.642 -16.219  -7.719
  502   1HH1  ARG 982          2HH1      ARG 982  12.462 -14.383  -5.345
  503   2HH1  ARG 982          1HH1      ARG 982  13.721 -15.579  -5.219
  504   1HH2  ARG 982          2HH2      ARG 982  12.257 -17.789  -7.524
  505   2HH2  ARG 982          1HH2      ARG 982  13.589 -17.526  -6.429
  506    H    GLU 983           H        GLU 983   6.432 -13.689  -4.013
  507    HA   GLU 983           HA       GLU 983   6.355 -11.176  -5.346
  508   1HB   GLU 983          HB1       GLU 983   4.531 -13.136  -4.971
  509   2HB   GLU 983          HB2       GLU 983   4.007 -11.975  -3.765
  510   1HG   GLU 983          HG1       GLU 983   2.976 -10.827  -5.337
  511   2HG   GLU 983          HG2       GLU 983   4.545 -10.514  -6.105
  512    H    ILE 984           H        ILE 984   5.873 -12.155  -1.965
  513    HA   ILE 984           HA       ILE 984   4.905  -9.693  -1.079
  514    HB   ILE 984           HB       ILE 984   4.771 -11.793   0.236
  515   1HG1  ILE 984          1HG1      ILE 984   6.062  -9.449   1.665
  516   2HG1  ILE 984          2HG1      ILE 984   4.350  -9.609   1.285
  517   1HG2  ILE 984          1HG2      ILE 984   7.054 -12.596  -0.091
  518   2HG2  ILE 984          2HG2      ILE 984   7.683 -11.232   0.833
  519   3HG2  ILE 984          3HG2      ILE 984   6.688 -12.452   1.629
  520   1HD1  ILE 984          1HD1      ILE 984   4.230 -11.575   2.747
  521   2HD1  ILE 984          2HD1      ILE 984   5.935 -11.362   3.149
  522   3HD1  ILE 984          3HD1      ILE 984   4.760 -10.128   3.605
  523    H    GLU 985           H        GLU 985   8.185 -10.822  -1.591
  524    HA   GLU 985           HA       GLU 985   9.399  -8.570  -0.335
  525   1HB   GLU 985          HB1       GLU 985  10.485 -10.598  -2.281
  526   2HB   GLU 985          HB2       GLU 985  11.452  -9.287  -1.624
  527   1HG   GLU 985          HG1       GLU 985  10.753 -10.194   0.673
  528   2HG   GLU 985          HG2       GLU 985  10.280 -11.645  -0.213
  529    H    MET 986           H        MET 986   8.280  -9.255  -3.630
  530    HA   MET 986           HA       MET 986   9.715  -7.191  -4.851
  531   1HB   MET 986          HB1       MET 986   8.426  -7.449  -6.798
  532   2HB   MET 986          HB2       MET 986   8.595  -9.044  -6.094
  533   1HG   MET 986          HG1       MET 986   6.345  -9.027  -5.326
  534   2HG   MET 986          HG2       MET 986   6.156  -7.325  -5.748
  535   1HE   MET 986          HE1       MET 986   6.659 -10.704  -8.858
  536   2HE   MET 986          HE2       MET 986   7.979 -10.117  -7.846
  537   3HE   MET 986          HE3       MET 986   6.622 -10.978  -7.114
  538    H    ALA 987           H        ALA 987   6.270  -7.077  -3.832
  539    HA   ALA 987           HA       ALA 987   6.213  -4.279  -4.500
  540   1HB   ALA 987          HB1       ALA 987   4.301  -5.751  -5.023
  541   2HB   ALA 987          HB2       ALA 987   4.002  -5.917  -3.293
  542   3HB   ALA 987          HB3       ALA 987   3.867  -4.334  -4.064
  543    H    GLN 988           H        GLN 988   6.338  -6.216  -1.520
  544    HA   GLN 988           HA       GLN 988   5.489  -4.126   0.179
  545   1HB   GLN 988          HB1       GLN 988   5.489  -6.371   1.042
  546   2HB   GLN 988          HB2       GLN 988   7.227  -6.515   0.799
  547   1HG   GLN 988          HG1       GLN 988   7.494  -4.607   2.417
  548   2HG   GLN 988          HG2       GLN 988   5.779  -4.780   2.779
  549   1HE2  GLN 988          2HE2      GLN 988   6.277  -5.257   4.925
  550   2HE2  GLN 988          1HE2      GLN 988   6.896  -6.802   5.394
  551    H    LYS 989           H        LYS 989   8.780  -5.192  -0.730
  552    HA   LYS 989           HA       LYS 989  10.060  -3.125   0.761
  553   1HB   LYS 989          HB1       LYS 989  11.199  -5.227  -0.077
  554   2HB   LYS 989          HB2       LYS 989  11.181  -4.507  -1.684
  555   1HG   LYS 989          HG1       LYS 989  12.352  -2.506  -0.519
  556   2HG   LYS 989          HG2       LYS 989  12.720  -3.684   0.739
  557   1HD   LYS 989          HD1       LYS 989  14.563  -3.540  -0.826
  558   2HD   LYS 989          HD2       LYS 989  13.785  -5.120  -0.964
  559   1HE   LYS 989          HE1       LYS 989  12.743  -4.553  -2.987
  560   2HE   LYS 989          HE2       LYS 989  13.027  -2.830  -2.750
  561   1HZ   LYS 989          HZ1       LYS 989  14.500  -3.905  -4.413
  562   2HZ   LYS 989          HZ2       LYS 989  15.327  -3.112  -3.163
  563   3HZ   LYS 989          HZ3       LYS 989  15.203  -4.805  -3.157
  564    H    LEU 990           H        LEU 990   8.605  -3.413  -2.341
  565    HA   LEU 990           HA       LEU 990   9.617  -1.094  -3.586
  566   1HB   LEU 990          HB1       LEU 990   8.610  -2.689  -4.956
  567   2HB   LEU 990          HB2       LEU 990   7.254  -2.907  -3.881
  568    HG   LEU 990           HG       LEU 990   6.216  -0.892  -4.671
  569   1HD1  LEU 990          1HD1      LEU 990   8.703  -0.548  -6.366
  570   2HD1  LEU 990          2HD1      LEU 990   7.240   0.428  -6.496
  571   3HD1  LEU 990          3HD1      LEU 990   8.214   0.487  -5.025
  572   1HD2  LEU 990          1HD2      LEU 990   7.274  -2.554  -6.946
  573   2HD2  LEU 990          2HD2      LEU 990   5.897  -2.950  -5.919
  574   3HD2  LEU 990          3HD2      LEU 990   5.830  -1.541  -6.976
  575    H    LEU 991           H        LEU 991   6.875  -1.764  -1.498
  576    HA   LEU 991           HA       LEU 991   5.695   0.815  -1.565
  577   1HB   LEU 991          HB1       LEU 991   5.525  -1.374   0.507
  578   2HB   LEU 991          HB2       LEU 991   4.474   0.031   0.432
  579    HG   LEU 991           HG       LEU 991   4.696  -2.065  -1.719
  580   1HD1  LEU 991          1HD1      LEU 991   2.477  -2.772  -0.947
  581   2HD1  LEU 991          2HD1      LEU 991   3.696  -2.977   0.312
  582   3HD1  LEU 991          3HD1      LEU 991   2.572  -1.619   0.384
  583   1HD2  LEU 991          1HD2      LEU 991   2.820   0.264  -1.312
  584   2HD2  LEU 991          2HD2      LEU 991   4.080   0.136  -2.540
  585   3HD2  LEU 991          3HD2      LEU 991   2.689  -0.946  -2.588
  586    H    ASN 992           H        ASN 992   8.196  -0.682   0.324
  587    HA   ASN 992           HA       ASN 992   8.231   1.018   2.527
  588   1HB   ASN 992          HB1       ASN 992   9.565  -1.119   2.175
  589   2HB   ASN 992          HB2       ASN 992  10.676  -0.171   1.195
  590   1HD2  ASN 992          2HD2      ASN 992  11.067  -1.633   3.697
  591   2HD2  ASN 992          1HD2      ASN 992  11.707  -0.485   4.822
  592    H    SER 993           H        SER 993   9.840   1.251  -0.616
  593    HA   SER 993           HA       SER 993  11.046   3.759   0.018
  594   1HB   SER 993          HB1       SER 993  11.402   3.609  -2.624
  595   2HB   SER 993          HB2       SER 993  12.369   2.675  -1.482
  596    HG   SER 993           HG       SER 993  10.243   1.843  -3.131
  597    H    ASP 994           H        ASP 994   7.986   2.850  -1.499
  598    HA   ASP 994           HA       ASP 994   7.766   5.544  -2.604
  599   1HB   ASP 994          HB1       ASP 994   5.594   4.765  -3.615
  600   2HB   ASP 994          HB2       ASP 994   7.065   4.036  -4.234
  601    H    LEU 995           H        LEU 995   5.791   3.437  -0.507
  602    HA   LEU 995           HA       LEU 995   3.900   5.315   0.281
  603   1HB   LEU 995          HB1       LEU 995   4.338   2.745   0.950
  604   2HB   LEU 995          HB2       LEU 995   5.005   3.506   2.376
  605    HG   LEU 995           HG       LEU 995   2.785   2.938   2.903
  606   1HD1  LEU 995          1HD1      LEU 995   1.683   5.085   3.279
  607   2HD1  LEU 995          2HD1      LEU 995   3.398   5.134   3.693
  608   3HD1  LEU 995          3HD1      LEU 995   2.833   5.856   2.186
  609   1HD2  LEU 995          1HD2      LEU 995   1.952   2.519   0.681
  610   2HD2  LEU 995          2HD2      LEU 995   0.867   3.619   1.531
  611   3HD2  LEU 995          3HD2      LEU 995   1.981   4.245   0.316
  612    H    ALA 996           H        ALA 996   6.977   4.499   1.800
  613    HA   ALA 996           HA       ALA 996   6.968   6.509   3.730
  614   1HB   ALA 996          HB1       ALA 996   9.412   5.333   2.432
  615   2HB   ALA 996          HB2       ALA 996   9.358   6.197   3.968
  616   3HB   ALA 996          HB3       ALA 996   8.541   4.642   3.800
  617    H    GLU 997           H        GLU 997   8.409   6.700   0.410
  618    HA   GLU 997           HA       GLU 997   9.402   9.278   0.907
  619   1HB   GLU 997          HB1       GLU 997   9.875   9.535  -1.378
  620   2HB   GLU 997          HB2       GLU 997  10.128   7.833  -1.018
  621   1HG   GLU 997          HG1       GLU 997   8.110   7.229  -2.106
  622   2HG   GLU 997          HG2       GLU 997   7.609   8.912  -2.245
  623    H    LEU 998           H        LEU 998   6.238   8.184  -0.100
  624    HA   LEU 998           HA       LEU 998   5.333  10.727  -0.991
  625   1HB   LEU 998          HB1       LEU 998   4.089   8.137  -0.383
  626   2HB   LEU 998          HB2       LEU 998   3.047   9.529  -0.145
  627    HG   LEU 998           HG       LEU 998   2.736   8.653  -2.372
  628   1HD1  LEU 998          1HD1      LEU 998   4.280  11.242  -2.372
  629   2HD1  LEU 998          2HD1      LEU 998   3.221  10.677  -3.665
  630   3HD1  LEU 998          3HD1      LEU 998   2.552  11.055  -2.076
  631   1HD2  LEU 998          1HD2      LEU 998   4.883   7.552  -2.659
  632   2HD2  LEU 998          2HD2      LEU 998   4.570   8.652  -4.001
  633   3HD2  LEU 998          3HD2      LEU 998   5.697   9.114  -2.725
  634    H    ILE 999           H        ILE 999   5.136   9.050   2.101
  635    HA   ILE 999           HA       ILE 999   3.828  10.967   3.624
  636    HB   ILE 999           HB       ILE 999   6.194   9.276   4.474
  637   1HG1  ILE 999          1HG1      ILE 999   3.221   8.778   4.760
  638   2HG1  ILE 999          2HG1      ILE 999   4.267   7.994   3.579
  639   1HG2  ILE 999          1HG2      ILE 999   5.327   9.589   6.758
  640   2HG2  ILE 999          2HG2      ILE 999   5.828  11.112   6.023
  641   3HG2  ILE 999          3HG2      ILE 999   4.115  10.706   6.130
  642   1HD1  ILE 999          1HD1      ILE 999   4.500   7.762   6.569
  643   2HD1  ILE 999          2HD1      ILE 999   3.831   6.548   5.478
  644   3HD1  ILE 999          3HD1      ILE 999   5.541   6.971   5.386
  645    H    ASN1000           H        ASN1000   7.153  10.831   2.576
  646    HA   ASN1000           HA       ASN1000   7.864  13.340   3.925
  647   1HB   ASN1000          HB1       ASN1000   9.548  11.644   2.054
  648   2HB   ASN1000          HB2       ASN1000  10.115  12.947   3.089
  649   1HD2  ASN1000          2HD2      ASN1000  10.964  10.199   2.942
  650   2HD2  ASN1000          1HD2      ASN1000  10.741   9.524   4.516
  651    H    LYS1001           H        LYS1001   6.424  12.427   1.059
  652    HA   LYS1001           HA       LYS1001   7.707  14.455  -0.593
  653   1HB   LYS1001          HB1       LYS1001   6.289  12.056  -1.142
  654   2HB   LYS1001          HB2       LYS1001   5.359  13.378  -1.838
  655   1HG   LYS1001          HG1       LYS1001   6.902  12.477  -3.469
  656   2HG   LYS1001          HG2       LYS1001   7.352  14.131  -3.054
  657   1HD   LYS1001          HD1       LYS1001   9.037  13.229  -1.474
  658   2HD   LYS1001          HD2       LYS1001   8.630  11.601  -2.013
  659   1HE   LYS1001          HE1       LYS1001   9.703  13.805  -3.773
  660   2HE   LYS1001          HE2       LYS1001  10.657  12.487  -3.101
  661   1HZ   LYS1001          HZ1       LYS1001   8.472  12.298  -5.099
  662   2HZ   LYS1001          HZ2       LYS1001  10.103  11.905  -5.304
  663   3HZ   LYS1001          HZ3       LYS1001   9.127  10.941  -4.312
  664    H    MET1002           H        MET1002   4.641  13.797   0.973
  665    HA   MET1002           HA       MET1002   3.514  16.322   0.208
  666   1HB   MET1002          HB1       MET1002   2.056  14.388   0.677
  667   2HB   MET1002          HB2       MET1002   2.649  14.352   2.333
  668   1HG   MET1002          HG1       MET1002   0.750  15.518   2.671
  669   2HG   MET1002          HG2       MET1002   1.833  16.860   2.293
  670   1HE   MET1002          HE1       MET1002   1.847  18.148  -0.027
  671   2HE   MET1002          HE2       MET1002   2.196  16.644  -0.878
  672   3HE   MET1002          HE3       MET1002   0.877  17.681  -1.423
  673    H    LYS1003           H        LYS1003   5.120  14.837   2.950
  674    HA   LYS1003           HA       LYS1003   5.029  17.037   4.664
  675   1HB   LYS1003          HB1       LYS1003   5.780  14.813   5.395
  676   2HB   LYS1003          HB2       LYS1003   7.227  14.975   4.406
  677   1HG   LYS1003          HG1       LYS1003   8.121  16.635   5.777
  678   2HG   LYS1003          HG2       LYS1003   6.564  16.975   6.535
  679   1HD   LYS1003          HD1       LYS1003   6.629  14.771   7.619
  680   2HD   LYS1003          HD2       LYS1003   8.201  14.461   6.875
  681   1HE   LYS1003          HE1       LYS1003   9.217  16.239   8.097
  682   2HE   LYS1003          HE2       LYS1003   7.652  16.813   8.673
  683   1HZ   LYS1003          HZ1       LYS1003   7.409  14.901  10.027
  684   2HZ   LYS1003          HZ2       LYS1003   8.770  14.152   9.349
  685   3HZ   LYS1003          HZ3       LYS1003   8.957  15.527  10.327
  686    H    LEU1004           H        LEU1004   7.629  16.081   2.365
  687    HA   LEU1004           HA       LEU1004   9.076  18.432   2.493
  688   1HB   LEU1004          HB1       LEU1004   8.732  16.346   0.405
  689   2HB   LEU1004          HB2       LEU1004   9.520  17.845  -0.058
  690    HG   LEU1004           HG       LEU1004  10.424  16.000   2.157
  691   1HD1  LEU1004          1HD1      LEU1004  11.564  16.506  -0.589
  692   2HD1  LEU1004          2HD1      LEU1004  12.313  15.520   0.667
  693   3HD1  LEU1004          3HD1      LEU1004  10.777  15.025  -0.045
  694   1HD2  LEU1004          1HD2      LEU1004  12.414  17.422   2.229
  695   2HD2  LEU1004          2HD2      LEU1004  11.696  18.492   1.026
  696   3HD2  LEU1004          3HD2      LEU1004  10.959  18.336   2.621
  697    H    ALA1005           H        ALA1005   6.255  17.730   0.453
  698    HA   ALA1005           HA       ALA1005   6.302  20.131  -0.990
  699   1HB   ALA1005          HB1       ALA1005   3.945  19.703  -1.476
  700   2HB   ALA1005          HB2       ALA1005   4.904  18.229  -1.630
  701   3HB   ALA1005          HB3       ALA1005   3.900  18.484  -0.202
  702    H    GLN1006           H        GLN1006   4.674  19.279   2.015
  703    HA   GLN1006           HA       GLN1006   3.740  21.954   2.462
  704   1HB   GLN1006          HB1       GLN1006   3.837  19.498   4.209
  705   2HB   GLN1006          HB2       GLN1006   3.106  21.027   4.711
  706   1HG   GLN1006          HG1       GLN1006   2.195  19.023   2.734
  707   2HG   GLN1006          HG2       GLN1006   1.283  19.897   3.962
  708   1HE2  GLN1006          2HE2      GLN1006   2.403  19.870   0.721
  709   2HE2  GLN1006          1HE2      GLN1006   1.573  21.288   0.188
  710    H    GLN1007           H        GLN1007   6.649  20.371   2.805
  711    HA   GLN1007           HA       GLN1007   7.710  22.061   4.857
  712   1HB   GLN1007          HB1       GLN1007   8.293  19.560   3.789
  713   2HB   GLN1007          HB2       GLN1007   9.589  20.587   3.213
  714   1HG   GLN1007          HG1       GLN1007  10.150  19.440   5.293
  715   2HG   GLN1007          HG2       GLN1007  10.159  21.194   5.492
  716   1HE2  GLN1007          2HE2      GLN1007   7.168  19.344   5.303
  717   2HE2  GLN1007          1HE2      GLN1007   6.733  19.570   6.973
  718    H    TYR1008           H        TYR1008   6.927  22.353   1.694
  719    HA   TYR1008           HA       TYR1008   8.854  24.535   1.240
  720   1HB   TYR1008          HB1       TYR1008   9.316  22.573  -0.153
  721   2HB   TYR1008          HB2       TYR1008   7.658  22.564  -0.719
  722    HD1  TYR1008           HD1      TYR1008   7.166  23.523  -2.738
  723    HD2  TYR1008           HD2      TYR1008  10.668  24.778  -0.666
  724    HE1  TYR1008           HE1      TYR1008   7.846  24.862  -4.690
  725    HE2  TYR1008           HE2      TYR1008  11.344  26.124  -2.607
  726    HH   TYR1008           HH       TYR1008   9.236  26.580  -5.356
  727    H    VAL1009           H        VAL1009   5.792  23.869   2.012
  728    HA   VAL1009           HA       VAL1009   4.102  25.068   0.193
  729    HB   VAL1009           HB       VAL1009   3.217  23.823   2.076
  730   1HG1  VAL1009          1HG1      VAL1009   4.835  24.505   3.787
  731   2HG1  VAL1009          2HG1      VAL1009   4.112  26.113   3.825
  732   3HG1  VAL1009          3HG1      VAL1009   3.174  24.713   4.341
  733   1HG2  VAL1009          1HG2      VAL1009   2.308  26.699   2.086
  734   2HG2  VAL1009          2HG2      VAL1009   1.707  25.401   1.053
  735   3HG2  VAL1009          3HG2      VAL1009   1.414  25.351   2.791
  736    H    MET1010           H        MET1010   4.151  26.994  -0.657
  737    HA   MET1010           HA       MET1010   4.454  29.294   1.145
  738   1HB   MET1010          HB1       MET1010   6.533  29.013  -0.194
  739   2HB   MET1010          HB2       MET1010   5.578  29.152  -1.665
  740   1HG   MET1010          HG1       MET1010   6.695  31.242  -1.142
  741   2HG   MET1010          HG2       MET1010   4.944  31.423  -1.052
  742   1HE   MET1010          HE1       MET1010   8.268  31.023   0.990
  743   2HE   MET1010          HE2       MET1010   7.681  31.068   2.652
  744   3HE   MET1010          HE3       MET1010   7.289  29.698   1.613
  745    H    THR1011           H        THR1011   3.885  29.113  -2.337
  746    HA   THR1011           HA       THR1011   1.047  29.673  -1.953
  747    HB   THR1011           HB       THR1011   1.300  31.406  -3.872
  748    HG1  THR1011           HG1      THR1011   3.450  32.522  -3.490
  749   1HG2  THR1011          1HG2      THR1011   1.643  33.228  -2.283
  750   2HG2  THR1011          2HG2      THR1011   0.590  31.989  -1.599
  751   3HG2  THR1011          3HG2      THR1011   2.278  32.091  -1.096
  752    H    SER1012           H        SER1012   2.537  30.292  -5.005
  753    HA   SER1012           HA       SER1012   1.247  28.084  -6.280
  754   1HB   SER1012          HB1       SER1012   1.672  30.207  -7.459
  755   2HB   SER1012          HB2       SER1012   3.408  29.963  -7.287
  756    HG   SER1012           HG       SER1012   2.926  29.252  -9.292
  757    H    LEU1013           H        LEU1013   4.336  28.719  -4.884
  758    HA   LEU1013           HA       LEU1013   5.895  26.669  -5.944
  759   1HB   LEU1013          HB1       LEU1013   5.944  27.856  -3.167
  760   2HB   LEU1013          HB2       LEU1013   7.197  26.827  -3.828
  761    HG   LEU1013           HG       LEU1013   7.469  28.615  -5.648
  762   1HD1  LEU1013          1HD1      LEU1013   5.936  30.225  -3.611
  763   2HD1  LEU1013          2HD1      LEU1013   6.802  30.877  -5.001
  764   3HD1  LEU1013          3HD1      LEU1013   5.403  29.833  -5.246
  765   1HD2  LEU1013          1HD2      LEU1013   8.946  29.940  -4.236
  766   2HD2  LEU1013          2HD2      LEU1013   8.166  29.289  -2.795
  767   3HD2  LEU1013          3HD2      LEU1013   9.083  28.222  -3.859
  768    H    GLN1014           H        GLN1014   3.398  26.620  -3.500
  769    HA   GLN1014           HA       GLN1014   4.030  24.127  -2.335
  770   1HB   GLN1014          HB1       GLN1014   2.396  25.936  -1.497
  771   2HB   GLN1014          HB2       GLN1014   1.237  25.221  -2.608
  772   1HG   GLN1014          HG1       GLN1014   2.622  23.528  -0.578
  773   2HG   GLN1014          HG2       GLN1014   1.232  24.513  -0.131
  774   1HE2  GLN1014          2HE2      GLN1014   2.352  21.818  -2.001
  775   2HE2  GLN1014          1HE2      GLN1014   0.787  21.181  -2.379
  776    H    GLN1015           H        GLN1015   1.790  25.046  -4.925
  777    HA   GLN1015           HA       GLN1015   0.799  22.465  -5.446
  778   1HB   GLN1015          HB1       GLN1015   1.074  24.761  -7.372
  779   2HB   GLN1015          HB2       GLN1015   0.034  23.366  -7.584
  780   1HG   GLN1015          HG1       GLN1015  -1.126  24.089  -5.455
  781   2HG   GLN1015          HG2       GLN1015  -0.230  25.602  -5.601
  782   1HE2  GLN1015          2HE2      GLN1015  -2.787  23.656  -6.852
  783   2HE2  GLN1015          1HE2      GLN1015  -3.427  24.824  -7.951
  784    H    GLU1016           H        GLU1016   3.489  24.275  -6.845
  785    HA   GLU1016           HA       GLU1016   4.470  22.536  -8.698
  786   1HB   GLU1016          HB1       GLU1016   5.556  24.674  -8.144
  787   2HB   GLU1016          HB2       GLU1016   6.128  23.989  -6.627
  788   1HG   GLU1016          HG1       GLU1016   7.422  22.326  -7.906
  789   2HG   GLU1016          HG2       GLU1016   6.909  23.117  -9.394
  790    H    TYR1017           H        TYR1017   5.153  22.364  -5.195
  791    HA   TYR1017           HA       TYR1017   6.531  19.888  -5.411
  792   1HB   TYR1017          HB1       TYR1017   5.750  21.691  -3.219
  793   2HB   TYR1017          HB2       TYR1017   5.734  19.978  -2.793
  794    HD1  TYR1017           HD1      TYR1017   7.620  20.256  -1.222
  795    HD2  TYR1017           HD2      TYR1017   8.008  21.215  -5.364
  796    HE1  TYR1017           HE1      TYR1017  10.067  20.255  -1.002
  797    HE2  TYR1017           HE2      TYR1017  10.450  21.238  -5.140
  798    HH   TYR1017           HH       TYR1017  12.142  21.503  -3.423
  799    H    LYS1018           H        LYS1018   3.166  20.729  -5.020
  800    HA   LYS1018           HA       LYS1018   2.349  18.104  -4.202
  801   1HB   LYS1018          HB1       LYS1018   1.010  20.163  -3.729
  802   2HB   LYS1018          HB2       LYS1018   0.645  20.277  -5.447
  803   1HG   LYS1018          HG1       LYS1018  -0.545  18.182  -5.383
  804   2HG   LYS1018          HG2       LYS1018  -0.065  17.922  -3.706
  805   1HD   LYS1018          HD1       LYS1018  -2.314  18.692  -3.681
  806   2HD   LYS1018          HD2       LYS1018  -1.307  20.029  -3.128
  807   1HE   LYS1018          HE1       LYS1018  -2.961  20.881  -4.642
  808   2HE   LYS1018          HE2       LYS1018  -1.384  20.967  -5.424
  809   1HZ   LYS1018          HZ1       LYS1018  -3.395  18.823  -5.887
  810   2HZ   LYS1018          HZ2       LYS1018  -3.132  20.150  -6.912
  811   3HZ   LYS1018          HZ3       LYS1018  -1.909  18.998  -6.687
  812    H    LYS1019           H        LYS1019   2.993  19.683  -7.201
  813    HA   LYS1019           HA       LYS1019   1.615  17.959  -8.964
  814   1HB   LYS1019          HB1       LYS1019   2.447  20.114  -9.671
  815   2HB   LYS1019          HB2       LYS1019   4.096  19.663  -9.273
  816   1HG   LYS1019          HG1       LYS1019   3.875  17.880 -11.069
  817   2HG   LYS1019          HG2       LYS1019   2.402  18.726 -11.559
  818   1HD   LYS1019          HD1       LYS1019   3.680  20.790 -11.844
  819   2HD   LYS1019          HD2       LYS1019   5.152  19.955 -11.349
  820   1HE   LYS1019          HE1       LYS1019   5.177  20.074 -13.714
  821   2HE   LYS1019          HE2       LYS1019   4.804  18.406 -13.289
  822   1HZ   LYS1019          HZ1       LYS1019   3.405  19.205 -15.082
  823   2HZ   LYS1019          HZ2       LYS1019   2.466  18.853 -13.711
  824   3HZ   LYS1019          HZ3       LYS1019   2.825  20.463 -14.107
  825    H    GLN1020           H        GLN1020   5.148  18.085  -8.501
  826    HA   GLN1020           HA       GLN1020   5.892  15.572  -9.096
  827   1HB   GLN1020          HB1       GLN1020   6.845  17.404  -6.934
  828   2HB   GLN1020          HB2       GLN1020   7.511  15.783  -7.038
  829   1HG   GLN1020          HG1       GLN1020   8.946  17.337  -8.180
  830   2HG   GLN1020          HG2       GLN1020   8.217  16.234  -9.344
  831   1HE2  GLN1020          2HE2      GLN1020   8.358  19.491  -8.182
  832   2HE2  GLN1020          1HE2      GLN1020   7.514  20.219  -9.499
  833    H    MET1021           H        MET1021   4.369  16.501  -6.035
  834    HA   MET1021           HA       MET1021   4.606  13.991  -4.780
  835   1HB   MET1021          HB1       MET1021   4.094  16.049  -3.555
  836   2HB   MET1021          HB2       MET1021   2.541  16.162  -4.364
  837   1HG   MET1021          HG1       MET1021   3.238  13.775  -2.702
  838   2HG   MET1021          HG2       MET1021   2.642  15.259  -1.962
  839   1HE   MET1021          HE1       MET1021   1.228  12.479  -1.574
  840   2HE   MET1021          HE2       MET1021   0.572  13.965  -0.890
  841   3HE   MET1021          HE3       MET1021  -0.471  12.887  -1.815
  842    H    LEU1022           H        LEU1022   2.019  15.373  -6.775
  843    HA   LEU1022           HA       LEU1022   0.150  13.317  -6.443
  844   1HB   LEU1022          HB1       LEU1022  -0.376  15.514  -7.408
  845   2HB   LEU1022          HB2       LEU1022   0.561  15.111  -8.834
  846    HG   LEU1022           HG       LEU1022  -1.029  13.237  -9.278
  847   1HD1  LEU1022          1HD1      LEU1022  -2.631  14.526  -7.072
  848   2HD1  LEU1022          2HD1      LEU1022  -3.175  13.225  -8.132
  849   3HD1  LEU1022          3HD1      LEU1022  -1.856  12.943  -6.998
  850   1HD2  LEU1022          1HD2      LEU1022  -1.237  15.347 -10.448
  851   2HD2  LEU1022          2HD2      LEU1022  -2.833  14.683 -10.099
  852   3HD2  LEU1022          3HD2      LEU1022  -2.199  16.010  -9.126
  853    H    THR1023           H        THR1023   2.819  13.651  -8.729
  854    HA   THR1023           HA       THR1023   2.147  11.371 -10.300
  855    HB   THR1023           HB       THR1023   4.889  12.587  -9.904
  856    HG1  THR1023           HG1      THR1023   2.715  13.723 -10.895
  857   1HG2  THR1023          1HG2      THR1023   3.709  11.008 -12.195
  858   2HG2  THR1023          2HG2      THR1023   5.327  11.710 -12.151
  859   3HG2  THR1023          3HG2      THR1023   4.897  10.413 -11.036
  860    H    ALA1024           H        ALA1024   3.828  11.882  -7.326
  861    HA   ALA1024           HA       ALA1024   5.107   9.283  -7.290
  862   1HB   ALA1024          HB1       ALA1024   5.907   9.926  -5.081
  863   2HB   ALA1024          HB2       ALA1024   6.206  11.214  -6.248
  864   3HB   ALA1024          HB3       ALA1024   4.869  11.351  -5.105
  865    H    ALA1025           H        ALA1025   2.355  10.909  -5.809
  866    HA   ALA1025           HA       ALA1025   1.579   8.839  -4.065
  867   1HB   ALA1025          HB1       ALA1025  -0.594   9.971  -3.999
  868   2HB   ALA1025          HB2       ALA1025   0.735  11.123  -3.864
  869   3HB   ALA1025          HB3       ALA1025  -0.128  10.948  -5.391
  870    H    HIS1026           H        HIS1026   0.833   9.486  -7.455
  871    HA   HIS1026           HA       HIS1026  -1.062   7.405  -7.703
  872   1HB   HIS1026          HB1       HIS1026  -0.786   9.240  -9.383
  873   2HB   HIS1026          HB2       HIS1026   0.735   8.506  -9.878
  874    HD1  HIS1026           HD1      HIS1026  -2.987   7.911  -9.958
  875    HD2  HIS1026           HD2      HIS1026   0.505   6.357 -11.609
  876    HE1  HIS1026           HE1      HIS1026  -3.733   6.296 -11.740
  877    HE2  HIS1026           HE2      HIS1026  -1.612   5.237 -12.597
  878    H    ALA1027           H        ALA1027   2.410   7.532  -7.796
  879    HA   ALA1027           HA       ALA1027   2.829   4.916  -8.799
  880   1HB   ALA1027          HB1       ALA1027   5.106   5.160  -7.970
  881   2HB   ALA1027          HB2       ALA1027   4.590   6.627  -8.800
  882   3HB   ALA1027          HB3       ALA1027   4.633   6.580  -7.037
  883    H    LEU1028           H        LEU1028   2.661   6.241  -5.489
  884    HA   LEU1028           HA       LEU1028   3.279   3.721  -4.296
  885   1HB   LEU1028          HB1       LEU1028   3.622   4.944  -2.485
  886   2HB   LEU1028          HB2       LEU1028   3.144   6.367  -3.358
  887    HG   LEU1028           HG       LEU1028   1.246   4.662  -1.722
  888   1HD1  LEU1028          1HD1      LEU1028   1.416   6.399  -0.042
  889   2HD1  LEU1028          2HD1      LEU1028   2.993   5.668  -0.343
  890   3HD1  LEU1028          3HD1      LEU1028   2.609   7.249  -1.022
  891   1HD2  LEU1028          1HD2      LEU1028   0.105   5.985  -3.418
  892   2HD2  LEU1028          2HD2      LEU1028  -0.186   6.662  -1.817
  893   3HD2  LEU1028          3HD2      LEU1028   0.974   7.428  -2.900
  894    H    ALA1029           H        ALA1029   0.301   5.396  -5.095
  895    HA   ALA1029           HA       ALA1029  -1.538   3.587  -4.052
  896   1HB   ALA1029          HB1       ALA1029  -2.155   5.740  -5.033
  897   2HB   ALA1029          HB2       ALA1029  -1.771   5.115  -6.637
  898   3HB   ALA1029          HB3       ALA1029  -3.099   4.414  -5.711
  899    H    VAL1030           H        VAL1030   0.132   3.468  -7.202
  900    HA   VAL1030           HA       VAL1030  -1.222   1.057  -7.970
  901    HB   VAL1030           HB       VAL1030   1.169   2.403  -9.237
  902   1HG1  VAL1030          1HG1      VAL1030   1.042   0.049  -9.867
  903   2HG1  VAL1030          2HG1      VAL1030  -0.650   0.247 -10.322
  904   3HG1  VAL1030          3HG1      VAL1030   0.611   1.080 -11.233
  905   1HG2  VAL1030          1HG2      VAL1030  -0.790   3.828  -9.254
  906   2HG2  VAL1030          2HG2      VAL1030  -0.463   3.227 -10.880
  907   3HG2  VAL1030          3HG2      VAL1030  -1.765   2.518  -9.924
  908    H    ASP1031           H        ASP1031   1.481   1.790  -6.130
  909    HA   ASP1031           HA       ASP1031   2.633  -0.855  -6.484
  910   1HB   ASP1031          HB1       ASP1031   3.527   1.491  -4.814
  911   2HB   ASP1031          HB2       ASP1031   4.329  -0.084  -4.789
  912    H    ALA1032           H        ALA1032   0.840   0.981  -4.015
  913    HA   ALA1032           HA       ALA1032   0.245  -1.056  -2.185
  914   1HB   ALA1032          HB1       ALA1032  -1.631   0.981  -3.403
  915   2HB   ALA1032          HB2       ALA1032  -1.899   0.086  -1.905
  916   3HB   ALA1032          HB3       ALA1032  -0.584   1.257  -2.011
  917    H    LYS1033           H        LYS1033  -1.253  -0.232  -5.265
  918    HA   LYS1033           HA       LYS1033  -3.036  -2.373  -5.473
  919   1HB   LYS1033          HB1       LYS1033  -3.166  -0.360  -6.854
  920   2HB   LYS1033          HB2       LYS1033  -1.658  -0.789  -7.646
  921   1HG   LYS1033          HG1       LYS1033  -2.748  -2.818  -8.539
  922   2HG   LYS1033          HG2       LYS1033  -4.269  -2.281  -7.818
  923   1HD   LYS1033          HD1       LYS1033  -4.230  -0.269  -9.183
  924   2HD   LYS1033          HD2       LYS1033  -2.660  -0.725  -9.847
  925   1HE   LYS1033          HE1       LYS1033  -5.248  -2.233 -10.192
  926   2HE   LYS1033          HE2       LYS1033  -4.445  -1.249 -11.414
  927   1HZ   LYS1033          HZ1       LYS1033  -3.901  -3.497 -11.841
  928   2HZ   LYS1033          HZ2       LYS1033  -2.508  -2.782 -11.188
  929   3HZ   LYS1033          HZ3       LYS1033  -3.474  -3.788 -10.224
  930    H    ASN1034           H        ASN1034   0.416  -2.228  -6.110
  931    HA   ASN1034           HA       ASN1034   0.428  -4.599  -7.722
  932   1HB   ASN1034          HB1       ASN1034   2.218  -2.808  -7.770
  933   2HB   ASN1034          HB2       ASN1034   2.784  -3.444  -6.227
  934   1HD2  ASN1034          2HD2      ASN1034   4.742  -4.112  -7.011
  935   2HD2  ASN1034          1HD2      ASN1034   4.934  -5.425  -8.114
  936    H    LEU1035           H        LEU1035   0.728  -3.850  -4.319
  937    HA   LEU1035           HA       LEU1035   1.689  -6.490  -3.655
  938   1HB   LEU1035          HB1       LEU1035   2.281  -4.482  -2.299
  939   2HB   LEU1035          HB2       LEU1035   0.602  -4.379  -1.789
  940    HG   LEU1035           HG       LEU1035   0.871  -6.728  -0.866
  941   1HD1  LEU1035          1HD1      LEU1035   2.881  -7.328  -2.125
  942   2HD1  LEU1035          2HD1      LEU1035   3.790  -6.093  -1.253
  943   3HD1  LEU1035          3HD1      LEU1035   3.131  -7.479  -0.385
  944   1HD2  LEU1035          1HD2      LEU1035   2.570  -4.545   0.309
  945   2HD2  LEU1035          2HD2      LEU1035   0.836  -4.755   0.549
  946   3HD2  LEU1035          3HD2      LEU1035   1.963  -5.962   1.165
  947    H    LEU1036           H        LEU1036  -1.421  -4.962  -3.996
  948    HA   LEU1036           HA       LEU1036  -2.892  -6.846  -2.522
  949   1HB   LEU1036          HB1       LEU1036  -4.859  -6.055  -3.569
  950   2HB   LEU1036          HB2       LEU1036  -3.826  -4.664  -3.363
  951    HG   LEU1036           HG       LEU1036  -3.204  -5.095  -5.869
  952   1HD1  LEU1036          1HD1      LEU1036  -5.069  -6.006  -7.167
  953   2HD1  LEU1036          2HD1      LEU1036  -4.356  -7.226  -6.113
  954   3HD1  LEU1036          3HD1      LEU1036  -5.883  -6.463  -5.672
  955   1HD2  LEU1036          1HD2      LEU1036  -4.350  -3.121  -5.011
  956   2HD2  LEU1036          2HD2      LEU1036  -5.051  -3.644  -6.542
  957   3HD2  LEU1036          3HD2      LEU1036  -5.881  -3.994  -5.025
  958    H    ASP1037           H        ASP1037  -1.849  -6.661  -5.815
  959    HA   ASP1037           HA       ASP1037  -2.858  -9.118  -6.749
  960   1HB   ASP1037          HB1       ASP1037  -1.916  -7.236  -8.146
  961   2HB   ASP1037          HB2       ASP1037  -0.311  -7.722  -7.619
  962    H    VAL1038           H        VAL1038   0.201  -8.164  -5.325
  963    HA   VAL1038           HA       VAL1038   1.599 -10.531  -5.246
  964    HB   VAL1038           HB       VAL1038   1.509  -8.257  -3.275
  965   1HG1  VAL1038          1HG1      VAL1038   3.443 -10.565  -3.325
  966   2HG1  VAL1038          2HG1      VAL1038   3.586  -9.123  -2.320
  967   3HG1  VAL1038          3HG1      VAL1038   2.243 -10.240  -2.075
  968   1HG2  VAL1038          1HG2      VAL1038   3.474  -9.040  -5.421
  969   2HG2  VAL1038          2HG2      VAL1038   2.368  -7.667  -5.447
  970   3HG2  VAL1038          3HG2      VAL1038   3.692  -7.709  -4.284
  971    H    ILE1039           H        ILE1039  -0.177  -9.290  -2.434
  972    HA   ILE1039           HA       ILE1039   0.061 -11.816  -1.134
  973    HB   ILE1039           HB       ILE1039  -1.157 -10.748   0.755
  974   1HG1  ILE1039          1HG1      ILE1039  -1.075  -8.377  -1.114
  975   2HG1  ILE1039          2HG1      ILE1039  -2.492  -9.096  -0.354
  976   1HG2  ILE1039          1HG2      ILE1039   0.730  -9.296   1.352
  977   2HG2  ILE1039          2HG2      ILE1039   1.270 -10.811   0.628
  978   3HG2  ILE1039          3HG2      ILE1039   1.276  -9.326  -0.324
  979   1HD1  ILE1039          1HD1      ILE1039  -1.880  -7.005   0.709
  980   2HD1  ILE1039          2HD1      ILE1039  -1.697  -8.356   1.826
  981   3HD1  ILE1039          3HD1      ILE1039  -0.274  -7.641   1.067
  982    H    ASP1040           H        ASP1040  -2.660 -10.143  -2.703
  983    HA   ASP1040           HA       ASP1040  -4.700 -11.944  -2.208
  984   1HB   ASP1040          HB1       ASP1040  -5.011 -10.122  -3.803
  985   2HB   ASP1040          HB2       ASP1040  -3.822 -10.822  -4.889
  986    H    GLN1041           H        GLN1041  -1.989 -12.255  -4.416
  987    HA   GLN1041           HA       GLN1041  -2.557 -15.013  -4.972
  988   1HB   GLN1041          HB1       GLN1041  -0.271 -13.220  -5.752
  989   2HB   GLN1041          HB2       GLN1041  -0.321 -14.935  -6.152
  990   1HG   GLN1041          HG1       GLN1041  -2.412 -14.597  -7.365
  991   2HG   GLN1041          HG2       GLN1041  -2.373 -12.882  -6.968
  992   1HE2  GLN1041          2HE2      GLN1041   0.512 -12.676  -7.339
  993   2HE2  GLN1041          1HE2      GLN1041   0.772 -12.719  -9.045
  994    H    ALA1042           H        ALA1042  -0.466 -13.253  -2.691
  995    HA   ALA1042           HA       ALA1042   1.108 -15.294  -1.798
  996   1HB   ALA1042          HB1       ALA1042   1.097 -14.237   0.383
  997   2HB   ALA1042          HB2       ALA1042   1.184 -13.026  -0.897
  998   3HB   ALA1042          HB3       ALA1042  -0.340 -13.314  -0.059
  999    H    ARG1043           H        ARG1043  -2.113 -14.532  -0.454
 1000    HA   ARG1043           HA       ARG1043  -2.391 -16.831   1.070
 1001   1HB   ARG1043          HB1       ARG1043  -4.004 -14.688   0.445
 1002   2HB   ARG1043          HB2       ARG1043  -4.891 -16.049  -0.228
 1003   1HG   ARG1043          HG1       ARG1043  -5.601 -15.550   2.053
 1004   2HG   ARG1043          HG2       ARG1043  -4.882 -17.155   1.939
 1005   1HD   ARG1043          HD1       ARG1043  -3.003 -16.546   3.130
 1006   2HD   ARG1043          HD2       ARG1043  -3.150 -14.845   2.692
 1007    HE   ARG1043           HE       ARG1043  -5.330 -15.250   4.229
 1008   1HH1  ARG1043          2HH1      ARG1043  -1.967 -16.062   4.771
 1009   2HH1  ARG1043          1HH1      ARG1043  -2.043 -15.751   6.472
 1010   1HH2  ARG1043          2HH2      ARG1043  -5.434 -14.815   6.451
 1011   2HH2  ARG1043          1HH2      ARG1043  -4.007 -15.022   7.441
 1012    H    LEU1044           H        LEU1044  -2.849 -16.422  -2.402
 1013    HA   LEU1044           HA       LEU1044  -3.786 -19.098  -2.846
 1014   1HB   LEU1044          HB1       LEU1044  -4.145 -17.223  -4.434
 1015   2HB   LEU1044          HB2       LEU1044  -2.428 -17.213  -4.775
 1016    HG   LEU1044           HG       LEU1044  -2.608 -19.505  -5.677
 1017   1HD1  LEU1044          1HD1      LEU1044  -5.564 -19.116  -5.223
 1018   2HD1  LEU1044          2HD1      LEU1044  -4.826 -20.447  -6.115
 1019   3HD1  LEU1044          3HD1      LEU1044  -4.526 -20.269  -4.384
 1020   1HD2  LEU1044          1HD2      LEU1044  -3.791 -18.898  -7.729
 1021   2HD2  LEU1044          2HD2      LEU1044  -4.505 -17.508  -6.911
 1022   3HD2  LEU1044          3HD2      LEU1044  -2.761 -17.579  -7.170
 1023    H    LYS1045           H        LYS1045  -0.637 -17.513  -2.901
 1024    HA   LYS1045           HA       LYS1045   1.073 -19.537  -3.682
 1025   1HB   LYS1045          HB1       LYS1045   1.244 -17.091  -2.091
 1026   2HB   LYS1045          HB2       LYS1045   2.369 -18.315  -1.531
 1027   1HG   LYS1045          HG1       LYS1045   3.521 -16.947  -3.050
 1028   2HG   LYS1045          HG2       LYS1045   3.219 -18.475  -3.874
 1029   1HD   LYS1045          HD1       LYS1045   1.338 -17.464  -5.070
 1030   2HD   LYS1045          HD2       LYS1045   1.622 -15.934  -4.238
 1031   1HE   LYS1045          HE1       LYS1045   3.885 -15.863  -5.231
 1032   2HE   LYS1045          HE2       LYS1045   3.514 -17.337  -6.117
 1033   1HZ   LYS1045          HZ1       LYS1045   3.155 -15.545  -7.585
 1034   2HZ   LYS1045          HZ2       LYS1045   1.612 -16.077  -7.127
 1035   3HZ   LYS1045          HZ3       LYS1045   2.262 -14.664  -6.445
 1036    H    MET1046           H        MET1046  -0.447 -18.917  -0.594
 1037    HA   MET1046           HA       MET1046   0.817 -20.910   0.931
 1038   1HB   MET1046          HB1       MET1046  -0.606 -19.067   1.824
 1039   2HB   MET1046          HB2       MET1046  -2.020 -19.897   1.190
 1040   1HG   MET1046          HG1       MET1046  -1.573 -21.791   2.650
 1041   2HG   MET1046          HG2       MET1046  -0.139 -20.970   3.272
 1042   1HE   MET1046          HE1       MET1046  -1.055 -21.316   5.766
 1043   2HE   MET1046          HE2       MET1046  -2.660 -20.808   6.291
 1044   3HE   MET1046          HE3       MET1046  -2.489 -22.124   5.130
 1045    H    ILE1047           H        ILE1047  -2.132 -20.950  -1.008
 1046    HA   ILE1047           HA       ILE1047  -2.728 -23.704  -0.610
 1047    HB   ILE1047           HB       ILE1047  -3.576 -21.918  -2.894
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.148 -20.934  -0.737
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.598 -21.495  -1.563
 1050   1HG2  ILE1047          1HG2      ILE1047  -3.969 -24.254  -3.384
 1051   2HG2  ILE1047          2HG2      ILE1047  -4.762 -24.478  -1.826
 1052   3HG2  ILE1047          3HG2      ILE1047  -5.505 -23.452  -3.053
 1053   1HD1  ILE1047          1HD1      ILE1047  -4.176 -22.944   0.661
 1054   2HD1  ILE1047          2HD1      ILE1047  -5.657 -22.000   0.820
 1055   3HD1  ILE1047          3HD1      ILE1047  -5.650 -23.474  -0.149
 1056    H    SER1048           H        SER1048  -0.682 -21.928  -2.762
 1057    HA   SER1048           HA       SER1048  -0.425 -23.720  -4.881
 1058   1HB   SER1048          HB1       SER1048   1.569 -21.737  -3.762
 1059   2HB   SER1048          HB2       SER1048   1.721 -22.533  -5.331
 1060    HG   SER1048           HG       SER1048  -0.670 -21.200  -4.754
 1061    H    GLN1049           H        GLN1049   1.756 -23.365  -2.042
 1062    HA   GLN1049           HA       GLN1049   3.086 -25.827  -2.746
 1063   1HB   GLN1049          HB1       GLN1049   4.286 -23.926  -1.658
 1064   2HB   GLN1049          HB2       GLN1049   3.356 -24.227  -0.195
 1065   1HG   GLN1049          HG1       GLN1049   4.398 -26.290   0.180
 1066   2HG   GLN1049          HG2       GLN1049   5.037 -26.362  -1.460
 1067   1HE2  GLN1049          2HE2      GLN1049   5.408 -24.987   1.708
 1068   2HE2  GLN1049          1HE2      GLN1049   7.017 -24.387   1.471
 1069    H    SER1050           H        SER1050   0.285 -24.992  -1.070
 1070    HA   SER1050           HA       SER1050   0.175 -27.389   0.549
 1071   1HB   SER1050          HB1       SER1050  -0.940 -25.279   1.260
 1072   2HB   SER1050          HB2       SER1050  -2.017 -25.408  -0.128
 1073    HG   SER1050           HG       SER1050  -3.152 -26.858   0.881
 1074    H    ARG1051           H        ARG1051  -0.026 -26.768  -2.648
 1075    HA   ARG1051           HA       ARG1051  -1.900 -28.966  -3.195
 1076   1HB   ARG1051          HB1       ARG1051  -2.446 -26.924  -4.385
 1077   2HB   ARG1051          HB2       ARG1051  -0.800 -26.780  -4.978
 1078   1HG   ARG1051          HG1       ARG1051  -2.108 -27.546  -6.783
 1079   2HG   ARG1051          HG2       ARG1051  -1.168 -28.929  -6.228
 1080   1HD   ARG1051          HD1       ARG1051  -3.977 -28.425  -5.292
 1081   2HD   ARG1051          HD2       ARG1051  -3.635 -29.308  -6.775
 1082    HE   ARG1051           HE       ARG1051  -2.238 -30.782  -5.180
 1083   1HH1  ARG1051          2HH1      ARG1051  -5.243 -29.184  -4.357
 1084   2HH1  ARG1051          1HH1      ARG1051  -5.736 -30.413  -3.236
 1085   1HH2  ARG1051          2HH2      ARG1051  -2.901 -32.421  -3.711
 1086   2HH2  ARG1051          1HH2      ARG1051  -4.421 -32.252  -2.877
 1087    HA   PRO1052           HA       PRO1052   2.138 -31.039  -3.835
 1088   1HB   PRO1052          HB1       PRO1052   0.512 -33.423  -3.268
 1089   2HB   PRO1052          HB2       PRO1052   1.988 -32.862  -2.479
 1090   1HG   PRO1052          HG1       PRO1052  -0.394 -32.765  -1.246
 1091   2HG   PRO1052          HG2       PRO1052   0.844 -31.518  -0.992
 1092   1HD   PRO1052          HD1       PRO1052  -1.593 -31.441  -2.741
 1093   2HD   PRO1052          HD2       PRO1052  -0.943 -30.187  -1.662
 1094    H    HIS1053           H        HIS1053   2.777 -31.813  -5.752
 1095    HA   HIS1053           HA       HIS1053   0.735 -32.417  -7.750
 1096   1HB   HIS1053          HB1       HIS1053   3.723 -32.020  -8.010
 1097   2HB   HIS1053          HB2       HIS1053   2.644 -32.363  -9.357
 1098    HD1  HIS1053           HD1      HIS1053   1.567 -30.389 -10.459
 1099    HD2  HIS1053           HD2      HIS1053   3.166 -29.464  -6.729
 1100    HE1  HIS1053           HE1      HIS1053   1.333 -27.895 -10.215
 1101    HE2  HIS1053           HE2      HIS1053   2.113 -27.398  -7.869
  Start of MODEL    7
    1   1H    ARG 920           H        ARG 920  -7.472 -20.283  -1.273
    2    HA   ARG 920           HA       ARG 920  -6.261 -18.184  -0.034
    3   1HB   ARG 920          HB1       ARG 920  -5.945 -18.515  -2.316
    4   2HB   ARG 920          HB2       ARG 920  -7.668 -18.446  -2.662
    5   1HG   ARG 920          HG1       ARG 920  -7.715 -16.178  -2.669
    6   2HG   ARG 920          HG2       ARG 920  -6.368 -16.036  -1.530
    7   1HD   ARG 920          HD1       ARG 920  -4.817 -16.196  -3.117
    8   2HD   ARG 920          HD2       ARG 920  -5.744 -17.314  -4.105
    9    HE   ARG 920           HE       ARG 920  -6.124 -14.373  -4.006
   10   1HH1  ARG 920          2HH1      ARG 920  -6.464 -17.431  -5.724
   11   2HH1  ARG 920          1HH1      ARG 920  -6.858 -16.662  -7.232
   12   1HH2  ARG 920          2HH2      ARG 920  -6.672 -13.394  -5.976
   13   2HH2  ARG 920          1HH2      ARG 920  -6.989 -14.389  -7.375
   14    H    SER 921           H        SER 921  -9.455 -17.738  -1.592
   15    HA   SER 921           HA       SER 921 -11.276 -16.502  -1.035
   16   1HB   SER 921          HB1       SER 921 -11.312 -17.899   0.971
   17   2HB   SER 921          HB2       SER 921 -10.195 -16.798   1.774
   18    HG   SER 921           HG       SER 921 -11.908 -15.153   1.336
   19    H    ASN 922           H        ASN 922  -8.398 -15.317  -1.230
   20    HA   ASN 922           HA       ASN 922  -7.267 -13.353  -0.968
   21   1HB   ASN 922          HB1       ASN 922  -9.626 -11.647  -1.151
   22   2HB   ASN 922          HB2       ASN 922  -8.215 -11.717  -2.196
   23   1HD2  ASN 922          2HD2      ASN 922  -8.106 -13.430  -3.744
   24   2HD2  ASN 922          1HD2      ASN 922  -9.569 -14.017  -4.471
   25    H    ASP 923           H        ASP 923  -7.559 -14.312   1.327
   26    HA   ASP 923           HA       ASP 923  -8.980 -13.285   3.385
   27   1HB   ASP 923          HB1       ASP 923  -7.203 -15.128   3.335
   28   2HB   ASP 923          HB2       ASP 923  -6.023 -13.851   3.590
   29    H    LYS 924           H        LYS 924  -7.551 -12.083   5.243
   30    HA   LYS 924           HA       LYS 924  -7.880  -9.393   4.904
   31   1HB   LYS 924          HB1       LYS 924  -7.139 -10.981   6.955
   32   2HB   LYS 924          HB2       LYS 924  -5.610 -10.177   6.636
   33   1HG   LYS 924          HG1       LYS 924  -8.052  -8.502   6.879
   34   2HG   LYS 924          HG2       LYS 924  -7.371  -9.211   8.343
   35   1HD   LYS 924          HD1       LYS 924  -5.211  -8.183   7.832
   36   2HD   LYS 924          HD2       LYS 924  -5.893  -7.477   6.366
   37   1HE   LYS 924          HE1       LYS 924  -5.760  -5.901   8.289
   38   2HE   LYS 924          HE2       LYS 924  -7.384  -6.108   7.638
   39   1HZ   LYS 924          HZ1       LYS 924  -7.994  -7.465   9.453
   40   2HZ   LYS 924          HZ2       LYS 924  -6.393  -7.610  10.001
   41   3HZ   LYS 924          HZ3       LYS 924  -7.204  -6.125  10.124
   42    H    VAL 925           H        VAL 925  -5.384 -11.290   3.570
   43    HA   VAL 925           HA       VAL 925  -3.437  -9.362   3.049
   44    HB   VAL 925           HB       VAL 925  -2.863 -10.838   1.074
   45   1HG1  VAL 925          1HG1      VAL 925  -2.082 -12.690   2.523
   46   2HG1  VAL 925          2HG1      VAL 925  -1.753 -11.096   3.204
   47   3HG1  VAL 925          3HG1      VAL 925  -3.093 -12.061   3.824
   48   1HG2  VAL 925          1HG2      VAL 925  -5.099 -12.512   2.229
   49   2HG2  VAL 925          2HG2      VAL 925  -5.072 -11.756   0.635
   50   3HG2  VAL 925          3HG2      VAL 925  -3.939 -13.052   1.015
   51    H    TYR 926           H        TYR 926  -6.261 -10.369   0.950
   52    HA   TYR 926           HA       TYR 926  -5.517  -8.278  -0.956
   53   1HB   TYR 926          HB1       TYR 926  -6.573 -10.287  -1.819
   54   2HB   TYR 926          HB2       TYR 926  -7.953 -10.085  -0.744
   55    HD1  TYR 926           HD1      TYR 926  -6.135  -8.180  -3.397
   56    HD2  TYR 926           HD2      TYR 926  -9.868  -9.181  -1.626
   57    HE1  TYR 926           HE1      TYR 926  -7.294  -6.864  -5.122
   58    HE2  TYR 926           HE2      TYR 926 -11.045  -7.867  -3.347
   59    HH   TYR 926           HH       TYR 926 -10.589  -6.015  -4.895
   60    H    GLU 927           H        GLU 927  -7.560  -8.758   1.785
   61    HA   GLU 927           HA       GLU 927  -9.408  -6.686   1.462
   62   1HB   GLU 927          HB1       GLU 927  -8.335  -8.101   3.888
   63   2HB   GLU 927          HB2       GLU 927  -9.597  -6.887   3.991
   64   1HG   GLU 927          HG1       GLU 927 -10.994  -8.243   2.490
   65   2HG   GLU 927          HG2       GLU 927  -9.729  -9.472   2.464
   66    H    ASN 928           H        ASN 928  -6.575  -6.688   3.663
   67    HA   ASN 928           HA       ASN 928  -6.984  -3.964   4.347
   68   1HB   ASN 928          HB1       ASN 928  -5.728  -5.781   5.689
   69   2HB   ASN 928          HB2       ASN 928  -4.340  -5.346   4.693
   70   1HD2  ASN 928          2HD2      ASN 928  -3.566  -3.155   4.798
   71   2HD2  ASN 928          1HD2      ASN 928  -3.849  -2.196   6.210
   72    H    VAL 929           H        VAL 929  -4.850  -5.570   2.021
   73    HA   VAL 929           HA       VAL 929  -3.286  -3.336   1.388
   74    HB   VAL 929           HB       VAL 929  -2.773  -5.666   0.697
   75   1HG1  VAL 929          1HG1      VAL 929  -4.852  -5.160  -1.413
   76   2HG1  VAL 929          2HG1      VAL 929  -3.745  -6.531  -1.365
   77   3HG1  VAL 929          3HG1      VAL 929  -4.956  -6.331  -0.097
   78   1HG2  VAL 929          1HG2      VAL 929  -1.725  -5.055  -1.399
   79   2HG2  VAL 929          2HG2      VAL 929  -2.793  -3.659  -1.551
   80   3HG2  VAL 929          3HG2      VAL 929  -1.606  -3.724  -0.247
   81    H    THR 930           H        THR 930  -6.393  -4.390   0.007
   82    HA   THR 930           HA       THR 930  -6.641  -2.232  -1.817
   83    HB   THR 930           HB       THR 930  -8.850  -3.768  -0.413
   84    HG1  THR 930           HG1      THR 930  -7.762  -5.285  -1.549
   85   1HG2  THR 930          1HG2      THR 930 -10.212  -3.123  -2.350
   86   2HG2  THR 930          2HG2      THR 930  -9.645  -1.710  -1.460
   87   3HG2  THR 930          3HG2      THR 930  -8.866  -2.170  -2.976
   88    H    GLY 931           H        GLY 931  -7.390  -2.734   1.545
   89   1HA   GLY 931          HA1       GLY 931  -8.614  -0.342   2.227
   90   2HA   GLY 931          HA2       GLY 931  -7.566  -1.261   3.294
   91    H    LEU 932           H        LEU 932  -5.165  -0.929   1.575
   92    HA   LEU 932           HA       LEU 932  -4.234   1.580   2.480
   93   1HB   LEU 932          HB1       LEU 932  -3.216  -0.306   0.378
   94   2HB   LEU 932          HB2       LEU 932  -2.478   1.265   0.601
   95    HG   LEU 932           HG       LEU 932  -2.187   0.516   3.074
   96   1HD1  LEU 932          1HD1      LEU 932  -2.543  -2.133   1.703
   97   2HD1  LEU 932          2HD1      LEU 932  -1.923  -1.885   3.336
   98   3HD1  LEU 932          3HD1      LEU 932  -3.588  -1.452   2.949
   99   1HD2  LEU 932          1HD2      LEU 932  -0.380   0.906   1.482
  100   2HD2  LEU 932          2HD2      LEU 932  -0.050  -0.492   2.506
  101   3HD2  LEU 932          3HD2      LEU 932  -0.589  -0.724   0.843
  102    H    VAL 933           H        VAL 933  -5.405   0.491  -0.683
  103    HA   VAL 933           HA       VAL 933  -5.198   2.999  -1.961
  104    HB   VAL 933           HB       VAL 933  -7.162   0.776  -2.557
  105   1HG1  VAL 933          1HG1      VAL 933  -7.222   1.729  -4.818
  106   2HG1  VAL 933          2HG1      VAL 933  -7.809   2.875  -3.611
  107   3HG1  VAL 933          3HG1      VAL 933  -6.187   3.053  -4.281
  108   1HG2  VAL 933          1HG2      VAL 933  -4.399   1.310  -3.650
  109   2HG2  VAL 933          2HG2      VAL 933  -4.870  -0.028  -2.599
  110   3HG2  VAL 933          3HG2      VAL 933  -5.510   0.071  -4.239
  111    H    LYS 934           H        LYS 934  -7.820   1.545  -0.081
  112    HA   LYS 934           HA       LYS 934  -9.645   3.671  -0.387
  113   1HB   LYS 934          HB1       LYS 934  -9.441   1.870   2.025
  114   2HB   LYS 934          HB2       LYS 934 -10.861   2.723   1.448
  115   1HG   LYS 934          HG1       LYS 934  -9.499   0.453   0.010
  116   2HG   LYS 934          HG2       LYS 934 -10.937   0.303   1.014
  117   1HD   LYS 934          HD1       LYS 934 -11.856   0.406  -1.096
  118   2HD   LYS 934          HD2       LYS 934 -11.910   2.102  -0.618
  119   1HE   LYS 934          HE1       LYS 934  -9.971   2.603  -1.914
  120   2HE   LYS 934          HE2       LYS 934  -9.658   0.896  -2.213
  121   1HZ   LYS 934          HZ1       LYS 934 -11.572   0.753  -3.587
  122   2HZ   LYS 934          HZ2       LYS 934 -12.085   2.315  -3.169
  123   3HZ   LYS 934          HZ3       LYS 934 -10.682   2.102  -4.103
  124    H    ALA 935           H        ALA 935  -6.949   3.137   1.770
  125    HA   ALA 935           HA       ALA 935  -7.554   5.346   3.491
  126   1HB   ALA 935          HB1       ALA 935  -6.290   3.428   4.301
  127   2HB   ALA 935          HB2       ALA 935  -4.985   3.809   3.176
  128   3HB   ALA 935          HB3       ALA 935  -5.378   4.926   4.483
  129    H    VAL 936           H        VAL 936  -5.730   4.930   0.520
  130    HA   VAL 936           HA       VAL 936  -4.665   7.590   0.745
  131    HB   VAL 936           HB       VAL 936  -3.461   5.830  -0.527
  132   1HG1  VAL 936          1HG1      VAL 936  -5.339   4.787  -1.672
  133   2HG1  VAL 936          2HG1      VAL 936  -5.618   6.264  -2.594
  134   3HG1  VAL 936          3HG1      VAL 936  -4.133   5.341  -2.831
  135   1HG2  VAL 936          1HG2      VAL 936  -2.769   7.293  -2.380
  136   2HG2  VAL 936          2HG2      VAL 936  -4.152   8.337  -2.051
  137   3HG2  VAL 936          3HG2      VAL 936  -2.882   8.148  -0.842
  138    H    ILE 937           H        ILE 937  -7.645   6.261   0.005
  139    HA   ILE 937           HA       ILE 937  -8.661   8.511  -1.444
  140    HB   ILE 937           HB       ILE 937 -10.138   6.474   0.239
  141   1HG1  ILE 937          1HG1      ILE 937  -9.787   6.721  -2.758
  142   2HG1  ILE 937          2HG1      ILE 937  -9.027   5.514  -1.728
  143   1HG2  ILE 937          1HG2      ILE 937 -11.410   8.543   0.079
  144   2HG2  ILE 937          2HG2      ILE 937 -11.213   8.548  -1.673
  145   3HG2  ILE 937          3HG2      ILE 937 -12.165   7.282  -0.897
  146   1HD1  ILE 937          1HD1      ILE 937 -10.920   4.589  -2.930
  147   2HD1  ILE 937          2HD1      ILE 937 -11.215   4.590  -1.190
  148   3HD1  ILE 937          3HD1      ILE 937 -11.981   5.804  -2.215
  149    H    GLU 938           H        GLU 938  -8.345   7.568   1.946
  150    HA   GLU 938           HA       GLU 938  -9.412   9.770   3.236
  151   1HB   GLU 938          HB1       GLU 938  -6.800   8.371   3.894
  152   2HB   GLU 938          HB2       GLU 938  -7.652   9.471   4.969
  153   1HG   GLU 938          HG1       GLU 938  -8.682   6.825   3.962
  154   2HG   GLU 938          HG2       GLU 938  -8.078   7.168   5.583
  155    H    MET 939           H        MET 939  -6.318   9.415   1.618
  156    HA   MET 939           HA       MET 939  -5.205  11.912   2.184
  157   1HB   MET 939          HB1       MET 939  -3.914  10.122   1.178
  158   2HB   MET 939          HB2       MET 939  -4.936  10.128  -0.248
  159   1HG   MET 939          HG1       MET 939  -3.352  12.544   0.528
  160   2HG   MET 939          HG2       MET 939  -2.616  11.217  -0.364
  161   1HE   MET 939          HE1       MET 939  -3.313  10.505  -2.817
  162   2HE   MET 939          HE2       MET 939  -4.962  10.234  -2.250
  163   3HE   MET 939          HE3       MET 939  -4.676  11.209  -3.691
  164    H    SER 940           H        SER 940  -7.288  10.889  -0.503
  165    HA   SER 940           HA       SER 940  -7.422  13.393  -1.771
  166   1HB   SER 940          HB1       SER 940  -9.443  11.138  -1.796
  167   2HB   SER 940          HB2       SER 940  -9.375  12.469  -2.951
  168    HG   SER 940           HG       SER 940  -7.223  11.723  -3.475
  169    H    SER 941           H        SER 941  -9.161  12.064   0.972
  170    HA   SER 941           HA       SER 941 -11.320  13.991   0.790
  171   1HB   SER 941          HB1       SER 941 -10.588  12.203   3.123
  172   2HB   SER 941          HB2       SER 941 -12.151  12.959   2.806
  173    HG   SER 941           HG       SER 941 -10.930  11.083   1.053
  174    H    LYS 942           H        LYS 942  -8.516  13.355   2.739
  175    HA   LYS 942           HA       LYS 942  -8.638  15.374   4.615
  176   1HB   LYS 942          HB1       LYS 942  -6.574  13.628   3.435
  177   2HB   LYS 942          HB2       LYS 942  -5.984  15.072   4.250
  178   1HG   LYS 942          HG1       LYS 942  -7.919  13.179   5.535
  179   2HG   LYS 942          HG2       LYS 942  -6.162  12.989   5.649
  180   1HD   LYS 942          HD1       LYS 942  -5.904  14.814   6.946
  181   2HD   LYS 942          HD2       LYS 942  -7.253  15.672   6.183
  182   1HE   LYS 942          HE1       LYS 942  -7.672  15.066   8.568
  183   2HE   LYS 942          HE2       LYS 942  -8.852  14.385   7.450
  184   1HZ   LYS 942          HZ1       LYS 942  -8.135  12.779   9.125
  185   2HZ   LYS 942          HZ2       LYS 942  -7.716  12.267   7.565
  186   3HZ   LYS 942          HZ3       LYS 942  -6.531  12.917   8.593
  187    H    ILE 943           H        ILE 943  -7.113  15.379   1.418
  188    HA   ILE 943           HA       ILE 943  -5.953  17.909   1.785
  189    HB   ILE 943           HB       ILE 943  -5.029  16.323   0.181
  190   1HG1  ILE 943          1HG1      ILE 943  -6.040  18.828  -1.182
  191   2HG1  ILE 943          2HG1      ILE 943  -4.581  18.702  -0.204
  192   1HG2  ILE 943          1HG2      ILE 943  -6.143  15.889  -1.968
  193   2HG2  ILE 943          2HG2      ILE 943  -7.056  15.268  -0.593
  194   3HG2  ILE 943          3HG2      ILE 943  -7.563  16.760  -1.387
  195   1HD1  ILE 943          1HD1      ILE 943  -5.075  17.258  -2.798
  196   2HD1  ILE 943          2HD1      ILE 943  -4.089  18.706  -2.592
  197   3HD1  ILE 943          3HD1      ILE 943  -3.601  17.192  -1.829
  198    H    GLN 944           H        GLN 944  -9.075  16.879   0.637
  199    HA   GLN 944           HA       GLN 944  -9.859  19.036  -0.893
  200   1HB   GLN 944          HB1       GLN 944 -11.468  17.230   0.892
  201   2HB   GLN 944          HB2       GLN 944 -12.214  18.468  -0.111
  202   1HG   GLN 944          HG1       GLN 944 -11.355  17.437  -2.106
  203   2HG   GLN 944          HG2       GLN 944 -10.458  16.259  -1.147
  204   1HE2  GLN 944          2HE2      GLN 944 -11.493  14.529  -2.119
  205   2HE2  GLN 944          1HE2      GLN 944 -13.141  14.118  -1.773
  206    HA   PRO 945           HA       PRO 945 -11.810  21.416   2.664
  207   1HB   PRO 945          HB1       PRO 945 -11.164  20.350   5.266
  208   2HB   PRO 945          HB2       PRO 945 -12.739  20.479   4.481
  209   1HG   PRO 945          HG1       PRO 945 -11.482  18.102   4.975
  210   2HG   PRO 945          HG2       PRO 945 -12.646  18.350   3.662
  211   1HD   PRO 945          HD1       PRO 945  -9.651  18.328   3.559
  212   2HD   PRO 945          HD2       PRO 945 -10.823  17.611   2.431
  213    H    ALA 946           H        ALA 946  -8.580  20.254   3.628
  214    HA   ALA 946           HA       ALA 946  -8.182  22.795   5.072
  215   1HB   ALA 946          HB1       ALA 946  -6.512  21.654   6.383
  216   2HB   ALA 946          HB2       ALA 946  -8.009  20.722   6.386
  217   3HB   ALA 946          HB3       ALA 946  -6.657  20.216   5.372
  218    HA   PRO 947           HA       PRO 947  -4.579  23.909   2.553
  219   1HB   PRO 947          HB1       PRO 947  -3.261  24.875   4.987
  220   2HB   PRO 947          HB2       PRO 947  -3.859  25.801   3.610
  221   1HG   PRO 947          HG1       PRO 947  -5.027  25.921   6.033
  222   2HG   PRO 947          HG2       PRO 947  -5.956  26.060   4.528
  223   1HD   PRO 947          HD1       PRO 947  -5.595  23.674   6.315
  224   2HD   PRO 947          HD2       PRO 947  -7.077  24.297   5.555
  225    HA   PRO 948           HA       PRO 948  -1.251  21.066   2.594
  226   1HB   PRO 948          HB1       PRO 948   0.677  22.969   3.841
  227   2HB   PRO 948          HB2       PRO 948   0.863  21.966   2.396
  228   1HG   PRO 948          HG1       PRO 948   0.354  24.552   2.148
  229   2HG   PRO 948          HG2       PRO 948  -0.452  23.380   1.089
  230   1HD   PRO 948          HD1       PRO 948  -1.531  24.883   3.428
  231   2HD   PRO 948          HD2       PRO 948  -2.336  24.411   1.919
  232    H    GLU 949           H        GLU 949  -1.780  22.564   5.647
  233    HA   GLU 949           HA       GLU 949  -0.323  20.881   7.317
  234   1HB   GLU 949          HB1       GLU 949  -2.082  21.306   8.991
  235   2HB   GLU 949          HB2       GLU 949  -1.442  22.767   8.246
  236   1HG   GLU 949          HG1       GLU 949  -3.400  23.066   6.959
  237   2HG   GLU 949          HG2       GLU 949  -3.984  21.446   7.346
  238    H    GLU 950           H        GLU 950  -3.107  20.195   5.341
  239    HA   GLU 950           HA       GLU 950  -3.579  17.714   6.774
  240   1HB   GLU 950          HB1       GLU 950  -5.126  17.237   4.777
  241   2HB   GLU 950          HB2       GLU 950  -5.598  18.496   5.904
  242   1HG   GLU 950          HG1       GLU 950  -6.035  19.125   3.587
  243   2HG   GLU 950          HG2       GLU 950  -4.880  20.208   4.349
  244    H    TYR 951           H        TYR 951  -1.640  18.871   4.255
  245    HA   TYR 951           HA       TYR 951  -1.604  16.757   2.474
  246   1HB   TYR 951          HB1       TYR 951  -0.296  19.184   2.704
  247   2HB   TYR 951          HB2       TYR 951   1.012  18.007   2.803
  248    HD1  TYR 951           HD1      TYR 951   1.780  16.898   0.882
  249    HD2  TYR 951           HD2      TYR 951  -1.867  19.080   0.749
  250    HE1  TYR 951           HE1      TYR 951   1.709  16.609  -1.557
  251    HE2  TYR 951           HE2      TYR 951  -1.947  18.799  -1.695
  252    HH   TYR 951           HH       TYR 951  -0.105  16.582  -3.350
  253    H    VAL 952           H        VAL 952   0.554  17.378   5.237
  254    HA   VAL 952           HA       VAL 952   1.730  14.789   4.831
  255    HB   VAL 952           HB       VAL 952   3.338  16.104   5.706
  256   1HG1  VAL 952          1HG1      VAL 952   2.024  18.034   6.309
  257   2HG1  VAL 952          2HG1      VAL 952   1.365  17.198   7.715
  258   3HG1  VAL 952          3HG1      VAL 952   3.078  17.611   7.657
  259   1HG2  VAL 952          1HG2      VAL 952   3.856  15.359   7.989
  260   2HG2  VAL 952          2HG2      VAL 952   2.210  14.745   8.155
  261   3HG2  VAL 952          3HG2      VAL 952   3.300  14.034   6.965
  262    HA   PRO 953           HA       PRO 953  -1.052  13.484   8.678
  263   1HB   PRO 953          HB1       PRO 953  -3.311  15.250   7.892
  264   2HB   PRO 953          HB2       PRO 953  -2.884  14.614   9.492
  265   1HG   PRO 953          HG1       PRO 953  -2.298  17.111   8.928
  266   2HG   PRO 953          HG2       PRO 953  -1.086  16.093   9.733
  267   1HD   PRO 953          HD1       PRO 953  -1.255  16.913   6.851
  268   2HD   PRO 953          HD2       PRO 953   0.167  16.817   7.911
  269    H    MET 954           H        MET 954  -2.201  14.425   5.439
  270    HA   MET 954           HA       MET 954  -4.074  12.271   5.378
  271   1HB   MET 954          HB1       MET 954  -4.458  12.775   3.072
  272   2HB   MET 954          HB2       MET 954  -4.332  14.288   3.949
  273   1HG   MET 954          HG1       MET 954  -2.074  14.595   3.120
  274   2HG   MET 954          HG2       MET 954  -2.170  13.053   2.268
  275   1HE   MET 954          HE1       MET 954  -2.303  15.647  -0.655
  276   2HE   MET 954          HE2       MET 954  -1.357  15.748   0.829
  277   3HE   MET 954          HE3       MET 954  -1.501  14.211  -0.021
  278    H    VAL 955           H        VAL 955  -0.768  12.726   4.155
  279    HA   VAL 955           HA       VAL 955  -0.463  10.127   3.212
  280    HB   VAL 955           HB       VAL 955   1.271  12.125   3.221
  281   1HG1  VAL 955          1HG1      VAL 955   3.177  11.668   4.680
  282   2HG1  VAL 955          2HG1      VAL 955   1.740  12.115   5.598
  283   3HG1  VAL 955          3HG1      VAL 955   2.240  10.426   5.510
  284   1HG2  VAL 955          1HG2      VAL 955   2.045   9.214   3.251
  285   2HG2  VAL 955          2HG2      VAL 955   1.367  10.090   1.880
  286   3HG2  VAL 955          3HG2      VAL 955   2.959  10.523   2.503
  287    H    LYS 956           H        LYS 956  -0.575  11.335   6.466
  288    HA   LYS 956           HA       LYS 956   0.487   9.129   7.846
  289   1HB   LYS 956          HB1       LYS 956  -0.118  11.120   9.060
  290   2HB   LYS 956          HB2       LYS 956  -1.794  10.990   8.543
  291   1HG   LYS 956          HG1       LYS 956  -2.139   9.066   9.921
  292   2HG   LYS 956          HG2       LYS 956  -0.422   8.985  10.321
  293   1HD   LYS 956          HD1       LYS 956  -1.841   9.981  12.113
  294   2HD   LYS 956          HD2       LYS 956  -0.544  11.035  11.550
  295   1HE   LYS 956          HE1       LYS 956  -2.589  12.300  11.836
  296   2HE   LYS 956          HE2       LYS 956  -2.147  12.233  10.132
  297   1HZ   LYS 956          HZ1       LYS 956  -3.793  10.486   9.807
  298   2HZ   LYS 956          HZ2       LYS 956  -4.209  10.545  11.451
  299   3HZ   LYS 956          HZ3       LYS 956  -4.508  11.879  10.453
  300    H    GLU 957           H        GLU 957  -2.682   9.752   6.548
  301    HA   GLU 957           HA       GLU 957  -4.025   7.474   7.344
  302   1HB   GLU 957          HB1       GLU 957  -4.470   8.826   4.677
  303   2HB   GLU 957          HB2       GLU 957  -5.651   7.990   5.674
  304   1HG   GLU 957          HG1       GLU 957  -4.313  10.617   6.280
  305   2HG   GLU 957          HG2       GLU 957  -5.996  10.359   5.828
  306    H    VAL 958           H        VAL 958  -2.123   7.939   4.331
  307    HA   VAL 958           HA       VAL 958  -2.575   5.258   3.459
  308    HB   VAL 958           HB       VAL 958  -1.150   5.671   1.633
  309   1HG1  VAL 958          1HG1      VAL 958  -2.404   8.305   2.394
  310   2HG1  VAL 958          2HG1      VAL 958  -1.910   7.823   0.770
  311   3HG1  VAL 958          3HG1      VAL 958  -3.208   6.957   1.592
  312   1HG2  VAL 958          1HG2      VAL 958   0.816   6.469   2.832
  313   2HG2  VAL 958          2HG2      VAL 958   0.421   7.538   1.487
  314   3HG2  VAL 958          3HG2      VAL 958   0.019   8.012   3.137
  315    H    GLY 959           H        GLY 959  -0.121   6.772   5.461
  316   1HA   GLY 959          HA1       GLY 959   1.722   4.582   5.303
  317   2HA   GLY 959          HA2       GLY 959   1.743   5.861   6.502
  318    H    LEU 960           H        LEU 960  -0.693   5.571   7.717
  319    HA   LEU 960           HA       LEU 960  -0.548   3.343   9.384
  320   1HB   LEU 960          HB1       LEU 960  -1.890   5.361   9.844
  321   2HB   LEU 960          HB2       LEU 960  -2.999   4.914   8.562
  322    HG   LEU 960           HG       LEU 960  -3.623   2.889   9.828
  323   1HD1  LEU 960          1HD1      LEU 960  -1.561   2.558  11.063
  324   2HD1  LEU 960          2HD1      LEU 960  -1.840   4.049  11.963
  325   3HD1  LEU 960          3HD1      LEU 960  -2.932   2.679  12.167
  326   1HD2  LEU 960          1HD2      LEU 960  -4.952   4.910  10.054
  327   2HD2  LEU 960          2HD2      LEU 960  -4.887   4.040  11.586
  328   3HD2  LEU 960          3HD2      LEU 960  -3.898   5.481  11.347
  329    H    ALA 961           H        ALA 961  -2.139   3.819   6.326
  330    HA   ALA 961           HA       ALA 961  -3.513   1.397   6.083
  331   1HB   ALA 961          HB1       ALA 961  -2.143   2.933   3.881
  332   2HB   ALA 961          HB2       ALA 961  -3.416   1.729   3.681
  333   3HB   ALA 961          HB3       ALA 961  -3.762   3.250   4.502
  334    H    LEU 962           H        LEU 962  -0.149   2.176   5.093
  335    HA   LEU 962           HA       LEU 962   0.420  -0.496   4.354
  336   1HB   LEU 962          HB1       LEU 962   1.802   1.087   3.378
  337   2HB   LEU 962          HB2       LEU 962   2.121   1.903   4.902
  338    HG   LEU 962           HG       LEU 962   3.405  -0.179   5.597
  339   1HD1  LEU 962          1HD1      LEU 962   3.235  -0.772   2.648
  340   2HD1  LEU 962          2HD1      LEU 962   4.193  -1.646   3.845
  341   3HD1  LEU 962          3HD1      LEU 962   2.431  -1.687   3.925
  342   1HD2  LEU 962          1HD2      LEU 962   5.404   0.457   4.326
  343   2HD2  LEU 962          2HD2      LEU 962   4.395   1.419   3.244
  344   3HD2  LEU 962          3HD2      LEU 962   4.534   1.861   4.946
  345    H    ARG 963           H        ARG 963   0.909   1.254   7.458
  346    HA   ARG 963           HA       ARG 963   2.248  -0.850   8.714
  347   1HB   ARG 963          HB1       ARG 963   1.888   1.525   9.585
  348   2HB   ARG 963          HB2       ARG 963   0.336   0.946  10.182
  349   1HG   ARG 963          HG1       ARG 963   1.444  -0.726  11.543
  350   2HG   ARG 963          HG2       ARG 963   3.012  -0.238  10.899
  351   1HD   ARG 963          HD1       ARG 963   2.866   0.811  12.984
  352   2HD   ARG 963          HD2       ARG 963   2.486   2.074  11.818
  353    HE   ARG 963           HE       ARG 963   0.132   0.765  12.767
  354   1HH1  ARG 963          2HH1      ARG 963   2.541   3.195  13.567
  355   2HH1  ARG 963          1HH1      ARG 963   1.500   4.047  14.674
  356   1HH2  ARG 963          2HH2      ARG 963  -1.229   1.868  14.252
  357   2HH2  ARG 963          1HH2      ARG 963  -0.618   3.266  15.090
  358    H    THR 964           H        THR 964  -1.277  -0.166   8.776
  359    HA   THR 964           HA       THR 964  -2.064  -2.541  10.015
  360    HB   THR 964           HB       THR 964  -4.190  -2.384   8.638
  361    HG1  THR 964           HG1      THR 964  -3.097   0.084   7.749
  362   1HG2  THR 964          1HG2      THR 964  -3.301   0.106  10.090
  363   2HG2  THR 964          2HG2      THR 964  -4.970  -0.339   9.728
  364   3HG2  THR 964          3HG2      THR 964  -4.009  -1.331  10.827
  365    H    LEU 965           H        LEU 965  -1.163  -1.913   6.689
  366    HA   LEU 965           HA       LEU 965  -1.745  -4.433   5.605
  367   1HB   LEU 965          HB1       LEU 965  -1.275  -2.499   4.229
  368   2HB   LEU 965          HB2       LEU 965   0.362  -2.425   4.851
  369    HG   LEU 965           HG       LEU 965   0.809  -4.637   3.814
  370   1HD1  LEU 965          1HD1      LEU 965  -0.756  -5.458   2.114
  371   2HD1  LEU 965          2HD1      LEU 965  -1.453  -5.495   3.734
  372   3HD1  LEU 965          3HD1      LEU 965  -1.919  -4.224   2.603
  373   1HD2  LEU 965          1HD2      LEU 965   1.462  -2.589   2.705
  374   2HD2  LEU 965          2HD2      LEU 965   0.926  -3.780   1.521
  375   3HD2  LEU 965          3HD2      LEU 965  -0.137  -2.449   1.976
  376    H    LEU 966           H        LEU 966   1.011  -3.191   7.356
  377    HA   LEU 966           HA       LEU 966   2.831  -5.266   6.889
  378   1HB   LEU 966          HB1       LEU 966   2.490  -3.554   9.347
  379   2HB   LEU 966          HB2       LEU 966   3.852  -4.624   9.078
  380    HG   LEU 966           HG       LEU 966   3.125  -2.237   7.376
  381   1HD1  LEU 966          1HD1      LEU 966   5.384  -2.674   9.323
  382   2HD1  LEU 966          2HD1      LEU 966   5.177  -1.263   8.284
  383   3HD1  LEU 966          3HD1      LEU 966   4.001  -1.604   9.554
  384   1HD2  LEU 966          1HD2      LEU 966   5.248  -2.651   6.246
  385   2HD2  LEU 966          2HD2      LEU 966   5.484  -4.111   7.208
  386   3HD2  LEU 966          3HD2      LEU 966   4.149  -4.019   6.058
  387    H    ALA 967           H        ALA 967   0.157  -5.074   9.188
  388    HA   ALA 967           HA       ALA 967   0.689  -7.516  10.531
  389   1HB   ALA 967          HB1       ALA 967  -1.977  -6.193  10.009
  390   2HB   ALA 967          HB2       ALA 967  -1.662  -7.458  11.198
  391   3HB   ALA 967          HB3       ALA 967  -0.918  -5.870  11.383
  392    H    THR 968           H        THR 968  -1.214  -6.690   7.698
  393    HA   THR 968           HA       THR 968  -2.077  -9.252   6.951
  394    HB   THR 968           HB       THR 968  -1.524  -6.727   5.418
  395    HG1  THR 968           HG1      THR 968  -4.034  -7.831   5.382
  396   1HG2  THR 968          1HG2      THR 968  -2.557  -7.730   3.455
  397   2HG2  THR 968          2HG2      THR 968  -1.076  -8.582   3.895
  398   3HG2  THR 968          3HG2      THR 968  -2.646  -9.282   4.287
  399    H    VAL 969           H        VAL 969   0.824  -7.440   6.102
  400    HA   VAL 969           HA       VAL 969   2.060  -9.241   4.414
  401    HB   VAL 969           HB       VAL 969   3.346  -7.388   6.428
  402   1HG1  VAL 969          1HG1      VAL 969   4.598  -8.826   4.091
  403   2HG1  VAL 969          2HG1      VAL 969   5.378  -7.580   5.067
  404   3HG1  VAL 969          3HG1      VAL 969   4.928  -9.121   5.799
  405   1HG2  VAL 969          1HG2      VAL 969   2.851  -7.083   3.468
  406   2HG2  VAL 969          2HG2      VAL 969   1.953  -6.278   4.755
  407   3HG2  VAL 969          3HG2      VAL 969   3.662  -5.914   4.512
  408    H    ASP 970           H        ASP 970   1.912  -9.266   7.937
  409    HA   ASP 970           HA       ASP 970   3.828 -11.358   8.253
  410   1HB   ASP 970          HB1       ASP 970   3.187  -9.701  10.046
  411   2HB   ASP 970          HB2       ASP 970   1.668 -10.574  10.216
  412    H    GLU 971           H        GLU 971   0.461 -11.311   7.564
  413    HA   GLU 971           HA       GLU 971  -0.001 -14.099   8.068
  414   1HB   GLU 971          HB1       GLU 971  -1.347 -12.341   5.997
  415   2HB   GLU 971          HB2       GLU 971  -1.966 -13.852   6.651
  416   1HG   GLU 971          HG1       GLU 971  -1.469 -11.385   8.295
  417   2HG   GLU 971          HG2       GLU 971  -3.031 -11.805   7.578
  418    H    SER 972           H        SER 972   0.854 -12.186   5.283
  419    HA   SER 972           HA       SER 972   1.195 -14.316   3.471
  420   1HB   SER 972          HB1       SER 972   0.693 -12.079   2.714
  421   2HB   SER 972          HB2       SER 972   2.195 -11.463   3.426
  422    HG   SER 972           HG       SER 972   3.246 -13.049   1.962
  423    H    LEU 973           H        LEU 973   3.278 -12.949   5.894
  424    HA   LEU 973           HA       LEU 973   5.761 -13.637   4.771
  425   1HB   LEU 973          HB1       LEU 973   4.894 -13.093   7.593
  426   2HB   LEU 973          HB2       LEU 973   6.534 -13.599   7.236
  427    HG   LEU 973           HG       LEU 973   5.199 -11.144   6.093
  428   1HD1  LEU 973          1HD1      LEU 973   6.725  -9.905   7.557
  429   2HD1  LEU 973          2HD1      LEU 973   5.594 -10.900   8.474
  430   3HD1  LEU 973          3HD1      LEU 973   7.265 -11.425   8.270
  431   1HD2  LEU 973          1HD2      LEU 973   7.456 -10.580   5.321
  432   2HD2  LEU 973          2HD2      LEU 973   8.045 -12.131   5.921
  433   3HD2  LEU 973          3HD2      LEU 973   6.876 -12.082   4.601
  434    HA   PRO 974           HA       PRO 974   5.594 -17.907   7.112
  435   1HB   PRO 974          HB1       PRO 974   2.945 -18.766   7.363
  436   2HB   PRO 974          HB2       PRO 974   4.007 -18.299   8.694
  437   1HG   PRO 974          HG1       PRO 974   1.899 -16.729   7.308
  438   2HG   PRO 974          HG2       PRO 974   2.385 -16.706   9.013
  439   1HD   PRO 974          HD1       PRO 974   3.092 -14.747   7.323
  440   2HD   PRO 974          HD2       PRO 974   4.181 -15.297   8.612
  441    H    VAL 975           H        VAL 975   3.105 -16.621   4.958
  442    HA   VAL 975           HA       VAL 975   3.169 -18.968   3.251
  443    HB   VAL 975           HB       VAL 975   2.204 -16.309   2.285
  444   1HG1  VAL 975          1HG1      VAL 975   0.595 -17.760   1.106
  445   2HG1  VAL 975          2HG1      VAL 975   2.270 -18.147   0.713
  446   3HG1  VAL 975          3HG1      VAL 975   1.367 -19.171   1.832
  447   1HG2  VAL 975          1HG2      VAL 975   0.657 -18.200   4.062
  448   2HG2  VAL 975          2HG2      VAL 975   1.254 -16.610   4.537
  449   3HG2  VAL 975          3HG2      VAL 975   0.023 -16.752   3.282
  450    H    LEU 976           H        LEU 976   5.279 -16.373   3.717
  451    HA   LEU 976           HA       LEU 976   6.327 -16.113   1.112
  452   1HB   LEU 976          HB1       LEU 976   6.820 -14.386   2.619
  453   2HB   LEU 976          HB2       LEU 976   7.450 -15.484   3.828
  454    HG   LEU 976           HG       LEU 976   8.887 -15.114   1.208
  455   1HD1  LEU 976          1HD1      LEU 976  10.201 -13.327   2.260
  456   2HD1  LEU 976          2HD1      LEU 976   8.508 -12.870   2.074
  457   3HD1  LEU 976          3HD1      LEU 976   9.121 -13.361   3.654
  458   1HD2  LEU 976          1HD2      LEU 976  10.849 -15.650   2.562
  459   2HD2  LEU 976          2HD2      LEU 976   9.838 -15.741   4.006
  460   3HD2  LEU 976          3HD2      LEU 976   9.626 -16.914   2.707
  461    HA   PRO 977           HA       PRO 977   9.579 -19.537   2.312
  462   1HB   PRO 977          HB1       PRO 977   8.133 -20.920   4.505
  463   2HB   PRO 977          HB2       PRO 977   9.861 -20.602   4.326
  464   1HG   PRO 977          HG1       PRO 977   8.393 -19.236   6.080
  465   2HG   PRO 977          HG2       PRO 977   9.684 -18.446   5.152
  466   1HD   PRO 977          HD1       PRO 977   6.723 -18.370   4.726
  467   2HD   PRO 977          HD2       PRO 977   7.911 -17.060   4.591
  468    H    ALA 978           H        ALA 978   6.132 -19.964   2.885
  469    HA   ALA 978           HA       ALA 978   5.791 -22.461   1.677
  470   1HB   ALA 978          HB1       ALA 978   3.854 -20.150   1.759
  471   2HB   ALA 978          HB2       ALA 978   3.446 -21.836   1.442
  472   3HB   ALA 978          HB3       ALA 978   4.069 -21.362   3.023
  473    H    SER 979           H        SER 979   5.451 -19.196   0.229
  474    HA   SER 979           HA       SER 979   6.419 -20.044  -2.312
  475   1HB   SER 979          HB1       SER 979   3.471 -20.008  -1.823
  476   2HB   SER 979          HB2       SER 979   4.068 -19.461  -3.397
  477    HG   SER 979           HG       SER 979   4.570 -21.976  -2.160
  478    H    THR 980           H        THR 980   4.595 -17.648  -0.486
  479    HA   THR 980           HA       THR 980   4.381 -15.635  -2.379
  480    HB   THR 980           HB       THR 980   4.678 -15.091   0.562
  481    HG1  THR 980           HG1      THR 980   2.599 -15.795   0.793
  482   1HG2  THR 980          1HG2      THR 980   4.486 -13.137  -0.907
  483   2HG2  THR 980          2HG2      THR 980   3.035 -13.823  -1.639
  484   3HG2  THR 980          3HG2      THR 980   3.021 -13.343   0.057
  485    H    HIS 981           H        HIS 981   7.247 -16.577  -0.770
  486    HA   HIS 981           HA       HIS 981   8.632 -14.292  -0.257
  487   1HB   HIS 981          HB1       HIS 981  10.720 -15.553  -0.705
  488   2HB   HIS 981          HB2       HIS 981   9.566 -16.453   0.268
  489    HD1  HIS 981           HD1      HIS 981   8.891 -18.714  -0.569
  490    HD2  HIS 981           HD2      HIS 981  10.894 -16.489  -3.454
  491    HE1  HIS 981           HE1      HIS 981   9.310 -20.298  -2.477
  492    HE2  HIS 981           HE2      HIS 981  10.657 -18.973  -4.146
  493    H    ARG 982           H        ARG 982   7.685 -15.263  -3.401
  494    HA   ARG 982           HA       ARG 982   9.793 -13.772  -4.743
  495   1HB   ARG 982          HB1       ARG 982   7.186 -14.737  -5.928
  496   2HB   ARG 982          HB2       ARG 982   8.584 -14.155  -6.816
  497   1HG   ARG 982          HG1       ARG 982   9.788 -16.134  -5.591
  498   2HG   ARG 982          HG2       ARG 982   8.142 -16.759  -5.459
  499   1HD   ARG 982          HD1       ARG 982   9.726 -16.140  -7.932
  500   2HD   ARG 982          HD2       ARG 982   8.966 -17.660  -7.467
  501    HE   ARG 982           HE       ARG 982   6.817 -16.155  -7.741
  502   1HH1  ARG 982          2HH1      ARG 982   9.678 -16.301  -9.766
  503   2HH1  ARG 982          1HH1      ARG 982   8.832 -15.841 -11.219
  504   1HH2  ARG 982          2HH2      ARG 982   5.699 -15.533  -9.659
  505   2HH2  ARG 982          1HH2      ARG 982   6.581 -15.381 -11.151
  506    H    GLU 983           H        GLU 983   6.276 -13.350  -4.320
  507    HA   GLU 983           HA       GLU 983   6.393 -10.688  -5.367
  508   1HB   GLU 983          HB1       GLU 983   4.293 -12.547  -4.713
  509   2HB   GLU 983          HB2       GLU 983   3.935 -10.938  -4.132
  510   1HG   GLU 983          HG1       GLU 983   3.051 -11.050  -6.277
  511   2HG   GLU 983          HG2       GLU 983   4.526 -10.089  -6.388
  512    H    ILE 984           H        ILE 984   5.933 -12.067  -2.136
  513    HA   ILE 984           HA       ILE 984   5.082  -9.665  -0.960
  514    HB   ILE 984           HB       ILE 984   4.816 -11.916   0.076
  515   1HG1  ILE 984          1HG1      ILE 984   4.699  -9.682   1.359
  516   2HG1  ILE 984          2HG1      ILE 984   4.842 -11.162   2.298
  517   1HG2  ILE 984          1HG2      ILE 984   6.664 -12.864   1.380
  518   2HG2  ILE 984          2HG2      ILE 984   7.024 -12.812  -0.346
  519   3HG2  ILE 984          3HG2      ILE 984   7.743 -11.624   0.742
  520   1HD1  ILE 984          1HD1      ILE 984   7.081  -9.252   1.665
  521   2HD1  ILE 984          2HD1      ILE 984   6.238  -9.401   3.207
  522   3HD1  ILE 984          3HD1      ILE 984   7.225 -10.736   2.608
  523    H    GLU 985           H        GLU 985   8.250 -10.971  -1.637
  524    HA   GLU 985           HA       GLU 985   9.673  -8.892  -0.314
  525   1HB   GLU 985          HB1       GLU 985  10.498 -10.810  -2.492
  526   2HB   GLU 985          HB2       GLU 985  11.600  -9.689  -1.703
  527   1HG   GLU 985          HG1       GLU 985  10.018 -11.802  -0.260
  528   2HG   GLU 985          HG2       GLU 985  11.673 -12.013  -0.826
  529    H    MET 986           H        MET 986   8.317  -9.299  -3.579
  530    HA   MET 986           HA       MET 986   9.819  -7.172  -4.684
  531   1HB   MET 986          HB1       MET 986   8.692  -7.467  -6.670
  532   2HB   MET 986          HB2       MET 986   8.594  -9.060  -5.941
  533   1HG   MET 986          HG1       MET 986   6.314  -8.677  -5.297
  534   2HG   MET 986          HG2       MET 986   6.399  -7.003  -5.839
  535   1HE   MET 986          HE1       MET 986   6.845  -7.532  -9.739
  536   2HE   MET 986          HE2       MET 986   6.809  -6.343  -8.435
  537   3HE   MET 986          HE3       MET 986   8.155  -7.474  -8.560
  538    H    ALA 987           H        ALA 987   6.452  -7.282  -3.536
  539    HA   ALA 987           HA       ALA 987   6.123  -4.491  -4.117
  540   1HB   ALA 987          HB1       ALA 987   4.357  -6.258  -4.470
  541   2HB   ALA 987          HB2       ALA 987   4.132  -6.230  -2.724
  542   3HB   ALA 987          HB3       ALA 987   3.852  -4.770  -3.671
  543    H    GLN 988           H        GLN 988   6.451  -6.516  -1.200
  544    HA   GLN 988           HA       GLN 988   5.558  -4.443   0.514
  545   1HB   GLN 988          HB1       GLN 988   5.573  -6.874   1.117
  546   2HB   GLN 988          HB2       GLN 988   7.316  -6.769   1.303
  547   1HG   GLN 988          HG1       GLN 988   5.584  -4.895   2.840
  548   2HG   GLN 988          HG2       GLN 988   5.713  -6.570   3.363
  549   1HE2  GLN 988          2HE2      GLN 988   6.599  -4.126   4.682
  550   2HE2  GLN 988          1HE2      GLN 988   8.300  -4.322   4.956
  551    H    LYS 989           H        LYS 989   8.788  -5.458  -0.556
  552    HA   LYS 989           HA       LYS 989  10.126  -3.463   1.003
  553   1HB   LYS 989          HB1       LYS 989  11.094  -4.862  -1.503
  554   2HB   LYS 989          HB2       LYS 989  12.089  -3.956  -0.372
  555   1HG   LYS 989          HG1       LYS 989  10.669  -6.562   0.113
  556   2HG   LYS 989          HG2       LYS 989  12.408  -6.265   0.074
  557   1HD   LYS 989          HD1       LYS 989  12.265  -4.924   2.078
  558   2HD   LYS 989          HD2       LYS 989  10.506  -5.072   2.089
  559   1HE   LYS 989          HE1       LYS 989  10.838  -7.564   2.268
  560   2HE   LYS 989          HE2       LYS 989  12.550  -7.235   2.535
  561   1HZ   LYS 989          HZ1       LYS 989  11.910  -5.864   4.453
  562   2HZ   LYS 989          HZ2       LYS 989  10.292  -6.304   4.222
  563   3HZ   LYS 989          HZ3       LYS 989  11.438  -7.482   4.630
  564    H    LEU 990           H        LEU 990   8.464  -3.574  -1.989
  565    HA   LEU 990           HA       LEU 990   9.465  -1.139  -3.079
  566   1HB   LEU 990          HB1       LEU 990   8.602  -2.543  -4.685
  567   2HB   LEU 990          HB2       LEU 990   7.297  -3.093  -3.660
  568    HG   LEU 990           HG       LEU 990   6.086  -1.031  -4.066
  569   1HD1  LEU 990          1HD1      LEU 990   7.998   0.473  -4.427
  570   2HD1  LEU 990          2HD1      LEU 990   8.355  -0.351  -5.946
  571   3HD1  LEU 990          3HD1      LEU 990   6.853   0.556  -5.766
  572   1HD2  LEU 990          1HD2      LEU 990   7.012  -2.418  -6.571
  573   2HD2  LEU 990          2HD2      LEU 990   5.704  -2.935  -5.509
  574   3HD2  LEU 990          3HD2      LEU 990   5.556  -1.434  -6.422
  575    H    LEU 991           H        LEU 991   6.708  -2.091  -1.091
  576    HA   LEU 991           HA       LEU 991   5.272   0.322  -1.063
  577   1HB   LEU 991          HB1       LEU 991   5.569  -1.684   1.175
  578   2HB   LEU 991          HB2       LEU 991   4.326  -0.454   1.056
  579    HG   LEU 991           HG       LEU 991   4.550  -2.457  -1.140
  580   1HD1  LEU 991          1HD1      LEU 991   3.104  -3.984   0.142
  581   2HD1  LEU 991          2HD1      LEU 991   4.682  -3.790   0.907
  582   3HD1  LEU 991          3HD1      LEU 991   3.275  -2.949   1.560
  583   1HD2  LEU 991          1HD2      LEU 991   2.956  -0.457  -1.037
  584   2HD2  LEU 991          2HD2      LEU 991   2.233  -2.031  -1.366
  585   3HD2  LEU 991          3HD2      LEU 991   2.127  -1.324   0.249
  586    H    ASN 992           H        ASN 992   7.735  -0.947   1.146
  587    HA   ASN 992           HA       ASN 992   7.764   1.164   2.953
  588   1HB   ASN 992          HB1       ASN 992   8.899  -0.988   3.346
  589   2HB   ASN 992          HB2       ASN 992  10.070  -0.600   2.091
  590   1HD2  ASN 992          2HD2      ASN 992   8.989   0.107   5.322
  591   2HD2  ASN 992          1HD2      ASN 992  10.403   0.966   5.821
  592    H    SER 993           H        SER 993   9.384   0.743  -0.130
  593    HA   SER 993           HA       SER 993  11.110   2.963   0.113
  594   1HB   SER 993          HB1       SER 993  10.107   1.608  -2.399
  595   2HB   SER 993          HB2       SER 993  11.520   2.657  -2.272
  596    HG   SER 993           HG       SER 993  11.158   0.024  -1.403
  597    H    ASP 994           H        ASP 994   7.763   2.698  -1.110
  598    HA   ASP 994           HA       ASP 994   8.050   5.509  -1.953
  599   1HB   ASP 994          HB1       ASP 994   6.650   3.266  -3.314
  600   2HB   ASP 994          HB2       ASP 994   6.035   4.905  -3.513
  601    H    LEU 995           H        LEU 995   5.834   3.265  -0.291
  602    HA   LEU 995           HA       LEU 995   3.890   5.148   0.432
  603   1HB   LEU 995          HB1       LEU 995   5.038   2.760   1.833
  604   2HB   LEU 995          HB2       LEU 995   4.067   3.873   2.773
  605    HG   LEU 995           HG       LEU 995   2.825   1.904   1.961
  606   1HD1  LEU 995          1HD1      LEU 995   1.883   4.551   0.886
  607   2HD1  LEU 995          2HD1      LEU 995   0.873   3.131   1.157
  608   3HD1  LEU 995          3HD1      LEU 995   1.646   3.937   2.522
  609   1HD2  LEU 995          1HD2      LEU 995   3.928   1.591  -0.187
  610   2HD2  LEU 995          2HD2      LEU 995   2.186   1.769  -0.399
  611   3HD2  LEU 995          3HD2      LEU 995   3.261   3.119  -0.765
  612    H    ALA 996           H        ALA 996   6.924   4.323   2.029
  613    HA   ALA 996           HA       ALA 996   6.997   6.494   3.803
  614   1HB   ALA 996          HB1       ALA 996   8.519   4.599   4.031
  615   2HB   ALA 996          HB2       ALA 996   9.364   5.102   2.566
  616   3HB   ALA 996          HB3       ALA 996   9.395   6.131   4.000
  617    H    GLU 997           H        GLU 997   8.331   6.242   0.490
  618    HA   GLU 997           HA       GLU 997   9.507   8.704   0.305
  619   1HB   GLU 997          HB1       GLU 997   9.536   7.062  -1.510
  620   2HB   GLU 997          HB2       GLU 997   7.828   7.356  -1.810
  621   1HG   GLU 997          HG1       GLU 997   8.863   8.606  -3.440
  622   2HG   GLU 997          HG2       GLU 997   8.536   9.790  -2.175
  623    H    LEU 998           H        LEU 998   6.069   7.943  -0.009
  624    HA   LEU 998           HA       LEU 998   5.359  10.555  -0.886
  625   1HB   LEU 998          HB1       LEU 998   3.927   8.081  -0.185
  626   2HB   LEU 998          HB2       LEU 998   3.022   9.569   0.029
  627    HG   LEU 998           HG       LEU 998   2.644   8.537  -2.180
  628   1HD1  LEU 998          1HD1      LEU 998   4.097  11.179  -2.253
  629   2HD1  LEU 998          2HD1      LEU 998   3.017  10.565  -3.503
  630   3HD1  LEU 998          3HD1      LEU 998   2.384  10.944  -1.901
  631   1HD2  LEU 998          1HD2      LEU 998   4.418   8.540  -3.843
  632   2HD2  LEU 998          2HD2      LEU 998   5.561   9.152  -2.647
  633   3HD2  LEU 998          3HD2      LEU 998   4.869   7.539  -2.461
  634    H    ILE 999           H        ILE 999   5.503   8.993   2.271
  635    HA   ILE 999           HA       ILE 999   4.133  11.039   3.652
  636    HB   ILE 999           HB       ILE 999   4.944  10.233   5.691
  637   1HG1  ILE 999          1HG1      ILE 999   7.231   8.893   4.233
  638   2HG1  ILE 999          2HG1      ILE 999   7.358  10.373   5.175
  639   1HG2  ILE 999          1HG2      ILE 999   4.940   7.893   3.796
  640   2HG2  ILE 999          2HG2      ILE 999   4.718   7.805   5.543
  641   3HG2  ILE 999          3HG2      ILE 999   3.527   8.637   4.544
  642   1HD1  ILE 999          1HD1      ILE 999   8.160   8.423   6.400
  643   2HD1  ILE 999          2HD1      ILE 999   6.770   9.165   7.189
  644   3HD1  ILE 999          3HD1      ILE 999   6.567   7.680   6.261
  645    H    ASN1000           H        ASN1000   7.285  10.907   2.287
  646    HA   ASN1000           HA       ASN1000   8.122  13.398   3.601
  647   1HB   ASN1000          HB1       ASN1000   9.553  11.707   1.531
  648   2HB   ASN1000          HB2       ASN1000  10.229  13.103   2.361
  649   1HD2  ASN1000          2HD2      ASN1000   9.053   9.854   2.747
  650   2HD2  ASN1000          1HD2      ASN1000   9.995   9.477   4.150
  651    H    LYS1001           H        LYS1001   6.406  12.406   0.889
  652    HA   LYS1001           HA       LYS1001   7.223  14.627  -0.792
  653   1HB   LYS1001          HB1       LYS1001   4.979  12.626  -1.112
  654   2HB   LYS1001          HB2       LYS1001   5.355  13.886  -2.276
  655   1HG   LYS1001          HG1       LYS1001   7.096  11.561  -1.497
  656   2HG   LYS1001          HG2       LYS1001   6.275  11.816  -3.036
  657   1HD   LYS1001          HD1       LYS1001   7.649  13.870  -3.361
  658   2HD   LYS1001          HD2       LYS1001   8.545  13.449  -1.898
  659   1HE   LYS1001          HE1       LYS1001   9.104  11.263  -2.962
  660   2HE   LYS1001          HE2       LYS1001   8.346  11.849  -4.442
  661   1HZ   LYS1001          HZ1       LYS1001  10.680  12.192  -4.603
  662   2HZ   LYS1001          HZ2       LYS1001   9.960  13.716  -4.401
  663   3HZ   LYS1001          HZ3       LYS1001  10.744  12.967  -3.096
  664    H    MET1002           H        MET1002   4.482  13.671   1.203
  665    HA   MET1002           HA       MET1002   3.009  16.080   0.875
  666   1HB   MET1002          HB1       MET1002   2.948  14.382   3.345
  667   2HB   MET1002          HB2       MET1002   1.625  15.226   2.554
  668   1HG   MET1002          HG1       MET1002   3.035  12.819   1.433
  669   2HG   MET1002          HG2       MET1002   1.535  12.765   2.357
  670   1HE   MET1002          HE1       MET1002   0.112  11.549   0.582
  671   2HE   MET1002          HE2       MET1002   0.133  11.946  -1.137
  672   3HE   MET1002          HE3       MET1002   1.594  11.346  -0.351
  673    H    LYS1003           H        LYS1003   5.234  14.773   3.247
  674    HA   LYS1003           HA       LYS1003   5.507  16.959   4.937
  675   1HB   LYS1003          HB1       LYS1003   6.408  14.701   5.362
  676   2HB   LYS1003          HB2       LYS1003   7.583  14.933   4.080
  677   1HG   LYS1003          HG1       LYS1003   8.724  16.604   5.331
  678   2HG   LYS1003          HG2       LYS1003   7.453  16.629   6.558
  679   1HD   LYS1003          HD1       LYS1003   7.963  14.333   7.167
  680   2HD   LYS1003          HD2       LYS1003   9.179  14.246   5.894
  681   1HE   LYS1003          HE1       LYS1003  10.523  15.913   7.011
  682   2HE   LYS1003          HE2       LYS1003   9.273  16.145   8.234
  683   1HZ   LYS1003          HZ1       LYS1003   9.636  13.973   9.077
  684   2HZ   LYS1003          HZ2       LYS1003  10.644  13.551   7.778
  685   3HZ   LYS1003          HZ3       LYS1003  11.164  14.691   8.918
  686    H    LEU1004           H        LEU1004   7.416  16.081   2.053
  687    HA   LEU1004           HA       LEU1004   8.951  18.309   1.714
  688   1HB   LEU1004          HB1       LEU1004   8.783  16.173   0.337
  689   2HB   LEU1004          HB2       LEU1004   7.500  16.975  -0.544
  690    HG   LEU1004           HG       LEU1004   9.102  18.757  -1.198
  691   1HD1  LEU1004          1HD1      LEU1004  11.502  18.351  -0.880
  692   2HD1  LEU1004          2HD1      LEU1004  10.658  18.581   0.651
  693   3HD1  LEU1004          3HD1      LEU1004  11.121  16.960   0.135
  694   1HD2  LEU1004          1HD2      LEU1004   8.665  16.910  -2.710
  695   2HD2  LEU1004          2HD2      LEU1004  10.359  17.392  -2.807
  696   3HD2  LEU1004          3HD2      LEU1004   9.905  15.940  -1.915
  697    H    ALA1005           H        ALA1005   5.670  17.898   0.333
  698    HA   ALA1005           HA       ALA1005   5.548  20.438  -0.847
  699   1HB   ALA1005          HB1       ALA1005   4.007  18.597  -1.389
  700   2HB   ALA1005          HB2       ALA1005   3.242  18.793   0.188
  701   3HB   ALA1005          HB3       ALA1005   3.154  20.092  -1.001
  702    H    GLN1006           H        GLN1006   4.557  19.310   2.338
  703    HA   GLN1006           HA       GLN1006   3.620  21.877   3.203
  704   1HB   GLN1006          HB1       GLN1006   2.941  20.772   5.099
  705   2HB   GLN1006          HB2       GLN1006   3.085  19.400   4.007
  706   1HG   GLN1006          HG1       GLN1006   4.175  18.543   5.779
  707   2HG   GLN1006          HG2       GLN1006   5.538  19.345   5.000
  708   1HE2  GLN1006          2HE2      GLN1006   6.657  19.559   6.928
  709   2HE2  GLN1006          1HE2      GLN1006   6.192  20.681   8.157
  710    H    GLN1007           H        GLN1007   6.633  20.344   2.907
  711    HA   GLN1007           HA       GLN1007   8.093  21.794   4.890
  712   1HB   GLN1007          HB1       GLN1007   8.615  19.530   3.623
  713   2HB   GLN1007          HB2       GLN1007   9.350  20.603   2.446
  714   1HG   GLN1007          HG1       GLN1007  11.026  19.780   3.920
  715   2HG   GLN1007          HG2       GLN1007  10.799  21.504   4.240
  716   1HE2  GLN1007          2HE2      GLN1007   8.544  19.050   5.267
  717   2HE2  GLN1007          1HE2      GLN1007   8.879  19.166   6.967
  718    H    TYR1008           H        TYR1008   7.546  22.030   1.445
  719    HA   TYR1008           HA       TYR1008   9.096  24.373   1.003
  720   1HB   TYR1008          HB1       TYR1008   8.250  22.625  -0.698
  721   2HB   TYR1008          HB2       TYR1008   6.718  23.485  -0.629
  722    HD1  TYR1008           HD1      TYR1008   7.463  23.413  -3.185
  723    HD2  TYR1008           HD2      TYR1008   9.216  25.883  -0.197
  724    HE1  TYR1008           HE1      TYR1008   8.283  24.940  -4.934
  725    HE2  TYR1008           HE2      TYR1008  10.034  27.416  -1.932
  726    HH   TYR1008           HH       TYR1008  10.555  27.442  -4.257
  727    H    VAL1009           H        VAL1009   5.627  23.757   1.223
  728    HA   VAL1009           HA       VAL1009   3.847  25.171   1.345
  729    HB   VAL1009           HB       VAL1009   4.215  24.424   3.609
  730   1HG1  VAL1009          1HG1      VAL1009   5.365  25.816   5.278
  731   2HG1  VAL1009          2HG1      VAL1009   6.457  25.214   4.029
  732   3HG1  VAL1009          3HG1      VAL1009   5.906  26.889   3.987
  733   1HG2  VAL1009          1HG2      VAL1009   3.351  27.307   3.487
  734   2HG2  VAL1009          2HG2      VAL1009   2.338  25.890   3.213
  735   3HG2  VAL1009          3HG2      VAL1009   3.015  26.194   4.813
  736    H    MET1010           H        MET1010   4.357  26.510  -0.436
  737    HA   MET1010           HA       MET1010   4.653  29.303   0.400
  738   1HB   MET1010          HB1       MET1010   6.780  28.390  -0.678
  739   2HB   MET1010          HB2       MET1010   5.847  28.224  -2.158
  740   1HG   MET1010          HG1       MET1010   5.443  30.609  -2.205
  741   2HG   MET1010          HG2       MET1010   6.296  30.803  -0.674
  742   1HE   MET1010          HE1       MET1010   7.050  32.599  -3.059
  743   2HE   MET1010          HE2       MET1010   7.993  32.606  -1.569
  744   3HE   MET1010          HE3       MET1010   8.808  32.474  -3.127
  745    H    THR1011           H        THR1011   3.018  30.519  -0.356
  746    HA   THR1011           HA       THR1011   0.660  29.379  -0.935
  747    HB   THR1011           HB       THR1011   0.813  31.679  -0.253
  748    HG1  THR1011           HG1      THR1011  -0.552  31.350  -2.743
  749   1HG2  THR1011          1HG2      THR1011   1.349  33.478  -1.848
  750   2HG2  THR1011          2HG2      THR1011   2.728  32.420  -1.550
  751   3HG2  THR1011          3HG2      THR1011   1.803  32.266  -3.043
  752    H    SER1012           H        SER1012   2.782  30.639  -3.557
  753    HA   SER1012           HA       SER1012   0.916  29.424  -5.454
  754   1HB   SER1012          HB1       SER1012   1.707  31.826  -5.710
  755   2HB   SER1012          HB2       SER1012   3.280  31.161  -6.149
  756    HG   SER1012           HG       SER1012   2.465  31.041  -8.086
  757    H    LEU1013           H        LEU1013   4.211  29.162  -4.315
  758    HA   LEU1013           HA       LEU1013   5.020  27.532  -6.563
  759   1HB   LEU1013          HB1       LEU1013   6.485  28.562  -4.148
  760   2HB   LEU1013          HB2       LEU1013   7.217  27.434  -5.269
  761    HG   LEU1013           HG       LEU1013   7.986  29.596  -5.862
  762   1HD1  LEU1013          1HD1      LEU1013   7.144  29.869  -8.133
  763   2HD1  LEU1013          2HD1      LEU1013   7.423  28.172  -7.745
  764   3HD1  LEU1013          3HD1      LEU1013   5.781  28.816  -7.757
  765   1HD2  LEU1013          1HD2      LEU1013   6.351  30.963  -4.725
  766   2HD2  LEU1013          2HD2      LEU1013   6.465  31.453  -6.417
  767   3HD2  LEU1013          3HD2      LEU1013   5.102  30.474  -5.871
  768    H    GLN1014           H        GLN1014   3.550  26.920  -3.612
  769    HA   GLN1014           HA       GLN1014   4.802  24.513  -2.839
  770   1HB   GLN1014          HB1       GLN1014   3.221  25.880  -1.440
  771   2HB   GLN1014          HB2       GLN1014   1.903  25.280  -2.431
  772   1HG   GLN1014          HG1       GLN1014   3.634  23.234  -1.204
  773   2HG   GLN1014          HG2       GLN1014   2.643  24.186  -0.099
  774   1HE2  GLN1014          2HE2      GLN1014   2.658  21.842  -2.639
  775   2HE2  GLN1014          1HE2      GLN1014   0.985  21.420  -2.537
  776    H    GLN1015           H        GLN1015   2.451  25.282  -5.262
  777    HA   GLN1015           HA       GLN1015   1.316  22.742  -5.622
  778   1HB   GLN1015          HB1       GLN1015   1.422  25.240  -7.211
  779   2HB   GLN1015          HB2       GLN1015   0.982  23.766  -8.066
  780   1HG   GLN1015          HG1       GLN1015  -1.016  24.851  -7.339
  781   2HG   GLN1015          HG2       GLN1015  -0.798  23.387  -6.385
  782   1HE2  GLN1015          2HE2      GLN1015   0.904  26.435  -5.919
  783   2HE2  GLN1015          1HE2      GLN1015   0.216  26.787  -4.371
  784    H    GLU1016           H        GLU1016   4.164  24.217  -7.164
  785    HA   GLU1016           HA       GLU1016   4.992  22.217  -8.787
  786   1HB   GLU1016          HB1       GLU1016   6.353  24.180  -8.456
  787   2HB   GLU1016          HB2       GLU1016   6.684  23.726  -6.789
  788   1HG   GLU1016          HG1       GLU1016   8.032  21.903  -7.458
  789   2HG   GLU1016          HG2       GLU1016   7.501  22.037  -9.130
  790    H    TYR1017           H        TYR1017   5.394  22.191  -5.244
  791    HA   TYR1017           HA       TYR1017   6.486  19.533  -5.253
  792   1HB   TYR1017          HB1       TYR1017   5.704  21.489  -3.118
  793   2HB   TYR1017          HB2       TYR1017   5.930  19.799  -2.690
  794    HD1  TYR1017           HD1      TYR1017   7.976  21.071  -5.398
  795    HD2  TYR1017           HD2      TYR1017   7.758  20.569  -1.170
  796    HE1  TYR1017           HE1      TYR1017  10.406  21.411  -5.236
  797    HE2  TYR1017           HE2      TYR1017  10.185  20.906  -1.008
  798    HH   TYR1017           HH       TYR1017  12.061  22.113  -3.556
  799    H    LYS1018           H        LYS1018   3.368  20.930  -5.197
  800    HA   LYS1018           HA       LYS1018   1.941  18.713  -4.097
  801   1HB   LYS1018          HB1       LYS1018   1.046  21.003  -4.093
  802   2HB   LYS1018          HB2       LYS1018   1.011  20.998  -5.848
  803   1HG   LYS1018          HG1       LYS1018  -0.782  19.525  -5.932
  804   2HG   LYS1018          HG2       LYS1018  -0.532  18.978  -4.272
  805   1HD   LYS1018          HD1       LYS1018  -1.166  21.238  -3.476
  806   2HD   LYS1018          HD2       LYS1018  -1.510  21.695  -5.145
  807   1HE   LYS1018          HE1       LYS1018  -3.260  20.068  -5.297
  808   2HE   LYS1018          HE2       LYS1018  -2.838  19.397  -3.723
  809   1HZ   LYS1018          HZ1       LYS1018  -3.811  22.174  -4.147
  810   2HZ   LYS1018          HZ2       LYS1018  -4.802  20.874  -3.696
  811   3HZ   LYS1018          HZ3       LYS1018  -3.565  21.397  -2.660
  812    H    LYS1019           H        LYS1019   2.692  19.838  -7.359
  813    HA   LYS1019           HA       LYS1019   1.366  17.692  -8.695
  814   1HB   LYS1019          HB1       LYS1019   1.916  19.950  -9.686
  815   2HB   LYS1019          HB2       LYS1019   3.593  19.428  -9.770
  816   1HG   LYS1019          HG1       LYS1019   2.480  19.174 -11.913
  817   2HG   LYS1019          HG2       LYS1019   2.962  17.606 -11.260
  818   1HD   LYS1019          HD1       LYS1019   0.699  17.181 -10.516
  819   2HD   LYS1019          HD2       LYS1019   0.196  18.793 -11.030
  820   1HE   LYS1019          HE1       LYS1019   1.266  16.653 -12.863
  821   2HE   LYS1019          HE2       LYS1019  -0.443  17.004 -12.619
  822   1HZ   LYS1019          HZ1       LYS1019   0.559  18.060 -14.613
  823   2HZ   LYS1019          HZ2       LYS1019  -0.168  19.160 -13.546
  824   3HZ   LYS1019          HZ3       LYS1019   1.519  19.013 -13.588
  825    H    GLN1020           H        GLN1020   4.269  18.014  -7.041
  826    HA   GLN1020           HA       GLN1020   5.706  15.875  -8.383
  827   1HB   GLN1020          HB1       GLN1020   6.239  17.497  -5.904
  828   2HB   GLN1020          HB2       GLN1020   7.160  16.038  -6.237
  829   1HG   GLN1020          HG1       GLN1020   7.905  16.979  -8.356
  830   2HG   GLN1020          HG2       GLN1020   6.964  18.437  -8.041
  831   1HE2  GLN1020          2HE2      GLN1020   8.823  19.698  -8.166
  832   2HE2  GLN1020          1HE2      GLN1020   9.979  19.737  -6.876
  833    H    MET1021           H        MET1021   3.876  16.415  -5.434
  834    HA   MET1021           HA       MET1021   3.954  13.773  -4.466
  835   1HB   MET1021          HB1       MET1021   3.303  15.388  -2.905
  836   2HB   MET1021          HB2       MET1021   2.149  16.126  -4.005
  837   1HG   MET1021          HG1       MET1021   1.706  13.336  -3.050
  838   2HG   MET1021          HG2       MET1021   1.326  14.698  -1.997
  839   1HE   MET1021          HE1       MET1021  -0.789  12.471  -3.019
  840   2HE   MET1021          HE2       MET1021  -1.206  13.777  -1.911
  841   3HE   MET1021          HE3       MET1021  -2.184  13.497  -3.352
  842    H    LEU1022           H        LEU1022   1.785  15.442  -6.689
  843    HA   LEU1022           HA       LEU1022  -0.261  13.575  -6.867
  844   1HB   LEU1022          HB1       LEU1022  -0.151  15.885  -7.892
  845   2HB   LEU1022          HB2       LEU1022   0.816  15.194  -9.177
  846    HG   LEU1022           HG       LEU1022  -1.930  14.121  -8.584
  847   1HD1  LEU1022          1HD1      LEU1022  -2.199  16.513  -8.873
  848   2HD1  LEU1022          2HD1      LEU1022  -1.230  16.464 -10.344
  849   3HD1  LEU1022          3HD1      LEU1022  -2.797  15.657 -10.293
  850   1HD2  LEU1022          1HD2      LEU1022  -0.278  14.244 -11.105
  851   2HD2  LEU1022          2HD2      LEU1022  -0.478  12.824 -10.080
  852   3HD2  LEU1022          3HD2      LEU1022  -1.865  13.496 -10.938
  853    H    THR1023           H        THR1023   2.680  13.800  -8.852
  854    HA   THR1023           HA       THR1023   2.210  11.428 -10.320
  855    HB   THR1023           HB       THR1023   4.902  12.688  -9.760
  856    HG1  THR1023           HG1      THR1023   4.286  14.334 -10.947
  857   1HG2  THR1023          1HG2      THR1023   5.466  11.825 -11.978
  858   2HG2  THR1023          2HG2      THR1023   4.950  10.518 -10.910
  859   3HG2  THR1023          3HG2      THR1023   3.846  11.148 -12.133
  860    H    ALA1024           H        ALA1024   3.753  12.115  -7.270
  861    HA   ALA1024           HA       ALA1024   5.142   9.615  -7.074
  862   1HB   ALA1024          HB1       ALA1024   5.977  11.631  -5.970
  863   2HB   ALA1024          HB2       ALA1024   4.548  11.657  -4.937
  864   3HB   ALA1024          HB3       ALA1024   5.700  10.327  -4.815
  865    H    ALA1025           H        ALA1025   2.095  10.915  -5.875
  866    HA   ALA1025           HA       ALA1025   1.504   8.798  -4.090
  867   1HB   ALA1025          HB1       ALA1025  -0.770   9.665  -4.095
  868   2HB   ALA1025          HB2       ALA1025   0.393  10.985  -3.984
  869   3HB   ALA1025          HB3       ALA1025  -0.412  10.646  -5.515
  870    H    HIS1026           H        HIS1026   0.968   9.266  -7.534
  871    HA   HIS1026           HA       HIS1026  -0.688   6.997  -7.890
  872   1HB   HIS1026          HB1       HIS1026  -0.545   8.695  -9.634
  873   2HB   HIS1026          HB2       HIS1026   1.173   8.378  -9.843
  874    HD1  HIS1026           HD1      HIS1026   1.346   7.391 -12.127
  875    HD2  HIS1026           HD2      HIS1026  -1.777   5.723  -9.931
  876    HE1  HIS1026           HE1      HIS1026   0.428   5.525 -13.547
  877    HE2  HIS1026           HE2      HIS1026  -1.495   4.567 -12.234
  878    H    ALA1027           H        ALA1027   2.767   7.467  -7.680
  879    HA   ALA1027           HA       ALA1027   3.517   4.866  -8.516
  880   1HB   ALA1027          HB1       ALA1027   5.674   5.354  -7.519
  881   2HB   ALA1027          HB2       ALA1027   5.089   6.748  -8.431
  882   3HB   ALA1027          HB3       ALA1027   4.988   6.741  -6.670
  883    H    LEU1028           H        LEU1028   3.012   6.261  -5.258
  884    HA   LEU1028           HA       LEU1028   3.593   3.805  -3.944
  885   1HB   LEU1028          HB1       LEU1028   3.765   5.170  -2.214
  886   2HB   LEU1028          HB2       LEU1028   3.103   6.494  -3.124
  887    HG   LEU1028           HG       LEU1028   1.418   4.516  -1.565
  888   1HD1  LEU1028          1HD1      LEU1028   1.271   6.263   0.139
  889   2HD1  LEU1028          2HD1      LEU1028   2.932   5.706  -0.075
  890   3HD1  LEU1028          3HD1      LEU1028   2.421   7.245  -0.768
  891   1HD2  LEU1028          1HD2      LEU1028  -0.288   6.290  -1.702
  892   2HD2  LEU1028          2HD2      LEU1028   0.805   7.257  -2.695
  893   3HD2  LEU1028          3HD2      LEU1028   0.185   5.723  -3.305
  894    H    ALA1029           H        ALA1029   0.632   5.304  -5.085
  895    HA   ALA1029           HA       ALA1029  -1.246   3.465  -4.231
  896   1HB   ALA1029          HB1       ALA1029  -1.111   4.738  -6.964
  897   2HB   ALA1029          HB2       ALA1029  -2.539   4.006  -6.232
  898   3HB   ALA1029          HB3       ALA1029  -1.829   5.456  -5.522
  899    H    VAL1030           H        VAL1030   0.988   3.185  -6.980
  900    HA   VAL1030           HA       VAL1030   0.054   0.664  -7.860
  901    HB   VAL1030           HB       VAL1030   2.777   1.934  -8.238
  902   1HG1  VAL1030          1HG1      VAL1030   1.505  -0.374  -9.708
  903   2HG1  VAL1030          2HG1      VAL1030   3.044   0.387 -10.111
  904   3HG1  VAL1030          3HG1      VAL1030   2.863  -0.486  -8.588
  905   1HG2  VAL1030          1HG2      VAL1030   0.374   1.851 -10.059
  906   2HG2  VAL1030          2HG2      VAL1030   0.941   3.259  -9.161
  907   3HG2  VAL1030          3HG2      VAL1030   1.940   2.567 -10.439
  908    H    ASP1031           H        ASP1031   2.357   1.644  -5.427
  909    HA   ASP1031           HA       ASP1031   3.558  -0.831  -4.890
  910   1HB   ASP1031          HB1       ASP1031   2.825   1.380  -2.962
  911   2HB   ASP1031          HB2       ASP1031   3.843   0.007  -2.557
  912    H    ALA1032           H        ALA1032   0.620   0.628  -3.513
  913    HA   ALA1032           HA       ALA1032  -0.157  -1.585  -1.955
  914   1HB   ALA1032          HB1       ALA1032  -1.084   0.669  -1.674
  915   2HB   ALA1032          HB2       ALA1032  -1.912   0.515  -3.224
  916   3HB   ALA1032          HB3       ALA1032  -2.347  -0.544  -1.882
  917    H    LYS1033           H        LYS1033  -0.994  -0.627  -5.287
  918    HA   LYS1033           HA       LYS1033  -2.836  -2.703  -5.774
  919   1HB   LYS1033          HB1       LYS1033  -1.129  -1.073  -7.658
  920   2HB   LYS1033          HB2       LYS1033  -2.379  -2.186  -8.195
  921   1HG   LYS1033          HG1       LYS1033  -2.913   0.125  -6.347
  922   2HG   LYS1033          HG2       LYS1033  -3.038   0.233  -8.102
  923   1HD   LYS1033          HD1       LYS1033  -4.578  -1.724  -6.399
  924   2HD   LYS1033          HD2       LYS1033  -5.213  -0.177  -6.965
  925   1HE   LYS1033          HE1       LYS1033  -4.816  -0.915  -9.293
  926   2HE   LYS1033          HE2       LYS1033  -4.288  -2.482  -8.679
  927   1HZ   LYS1033          HZ1       LYS1033  -6.664  -2.320  -9.444
  928   2HZ   LYS1033          HZ2       LYS1033  -6.444  -2.961  -7.893
  929   3HZ   LYS1033          HZ3       LYS1033  -6.969  -1.358  -8.086
  930    H    ASN1034           H        ASN1034   0.658  -2.518  -6.136
  931    HA   ASN1034           HA       ASN1034   0.918  -4.898  -7.656
  932   1HB   ASN1034          HB1       ASN1034   2.629  -2.949  -7.243
  933   2HB   ASN1034          HB2       ASN1034   3.111  -3.925  -5.858
  934   1HD2  ASN1034          2HD2      ASN1034   3.939  -6.029  -6.247
  935   2HD2  ASN1034          1HD2      ASN1034   4.647  -6.437  -7.765
  936    H    LEU1035           H        LEU1035   0.934  -4.207  -4.186
  937    HA   LEU1035           HA       LEU1035   1.768  -6.913  -3.508
  938   1HB   LEU1035          HB1       LEU1035   2.360  -4.922  -2.088
  939   2HB   LEU1035          HB2       LEU1035   0.660  -4.769  -1.668
  940    HG   LEU1035           HG       LEU1035   0.914  -7.248  -0.873
  941   1HD1  LEU1035          1HD1      LEU1035   3.153  -7.581  -1.766
  942   2HD1  LEU1035          2HD1      LEU1035   3.764  -6.288  -0.733
  943   3HD1  LEU1035          3HD1      LEU1035   3.127  -7.768  -0.014
  944   1HD2  LEU1035          1HD2      LEU1035   0.396  -5.393   0.590
  945   2HD2  LEU1035          2HD2      LEU1035   1.572  -6.472   1.344
  946   3HD2  LEU1035          3HD2      LEU1035   2.099  -4.938   0.646
  947    H    LEU1036           H        LEU1036  -1.281  -5.273  -4.050
  948    HA   LEU1036           HA       LEU1036  -2.844  -7.113  -2.552
  949   1HB   LEU1036          HB1       LEU1036  -4.792  -6.279  -3.684
  950   2HB   LEU1036          HB2       LEU1036  -3.772  -4.939  -3.220
  951    HG   LEU1036           HG       LEU1036  -2.964  -4.996  -5.681
  952   1HD1  LEU1036          1HD1      LEU1036  -3.998  -7.128  -6.294
  953   2HD1  LEU1036          2HD1      LEU1036  -5.591  -6.455  -5.945
  954   3HD1  LEU1036          3HD1      LEU1036  -4.628  -5.800  -7.269
  955   1HD2  LEU1036          1HD2      LEU1036  -4.790  -3.524  -6.308
  956   2HD2  LEU1036          2HD2      LEU1036  -5.760  -4.135  -4.969
  957   3HD2  LEU1036          3HD2      LEU1036  -4.286  -3.223  -4.645
  958    H    ASP1037           H        ASP1037  -1.572  -7.047  -5.755
  959    HA   ASP1037           HA       ASP1037  -2.683  -9.562  -6.566
  960   1HB   ASP1037          HB1       ASP1037  -1.907  -7.935  -8.239
  961   2HB   ASP1037          HB2       ASP1037  -0.266  -8.062  -7.616
  962    H    VAL1038           H        VAL1038   0.143  -8.460  -4.910
  963    HA   VAL1038           HA       VAL1038   1.714 -10.795  -4.935
  964    HB   VAL1038           HB       VAL1038   1.555  -8.480  -3.014
  965   1HG1  VAL1038          1HG1      VAL1038   3.621  -9.284  -1.980
  966   2HG1  VAL1038          2HG1      VAL1038   2.284 -10.407  -1.729
  967   3HG1  VAL1038          3HG1      VAL1038   3.520 -10.762  -2.937
  968   1HG2  VAL1038          1HG2      VAL1038   2.459  -7.954  -5.190
  969   2HG2  VAL1038          2HG2      VAL1038   3.745  -7.919  -3.983
  970   3HG2  VAL1038          3HG2      VAL1038   3.595  -9.297  -5.072
  971    H    ILE1039           H        ILE1039  -0.148  -9.507  -2.246
  972    HA   ILE1039           HA       ILE1039   0.202 -11.921  -0.749
  973    HB   ILE1039           HB       ILE1039  -1.000 -10.717   1.066
  974   1HG1  ILE1039          1HG1      ILE1039  -1.073  -8.535  -1.019
  975   2HG1  ILE1039          2HG1      ILE1039  -2.436  -9.243  -0.159
  976   1HG2  ILE1039          1HG2      ILE1039   1.415 -10.677   0.921
  977   2HG2  ILE1039          2HG2      ILE1039   1.350  -9.319  -0.203
  978   3HG2  ILE1039          3HG2      ILE1039   0.819  -9.109   1.465
  979   1HD1  ILE1039          1HD1      ILE1039  -1.604  -8.261   1.923
  980   2HD1  ILE1039          2HD1      ILE1039  -0.277  -7.521   1.028
  981   3HD1  ILE1039          3HD1      ILE1039  -1.942  -7.044   0.693
  982    H    ASP1040           H        ASP1040  -2.636 -10.318  -2.240
  983    HA   ASP1040           HA       ASP1040  -4.508 -12.242  -1.515
  984   1HB   ASP1040          HB1       ASP1040  -5.226 -10.402  -2.915
  985   2HB   ASP1040          HB2       ASP1040  -4.174 -10.931  -4.224
  986    H    GLN1041           H        GLN1041  -2.072 -12.335  -4.062
  987    HA   GLN1041           HA       GLN1041  -2.631 -15.020  -4.837
  988   1HB   GLN1041          HB1       GLN1041  -0.554 -13.050  -5.473
  989   2HB   GLN1041          HB2       GLN1041   0.006 -14.717  -5.447
  990   1HG   GLN1041          HG1       GLN1041  -0.759 -13.831  -7.676
  991   2HG   GLN1041          HG2       GLN1041  -1.467 -15.357  -7.155
  992   1HE2  GLN1041          2HE2      GLN1041  -2.037 -11.957  -7.658
  993   2HE2  GLN1041          1HE2      GLN1041  -3.765 -12.052  -7.648
  994    H    ALA1042           H        ALA1042  -0.617 -13.528  -2.355
  995    HA   ALA1042           HA       ALA1042   0.964 -15.610  -1.602
  996   1HB   ALA1042          HB1       ALA1042   1.039 -13.425  -0.538
  997   2HB   ALA1042          HB2       ALA1042  -0.498 -13.755   0.258
  998   3HB   ALA1042          HB3       ALA1042   0.926 -14.715   0.658
  999    H    ARG1043           H        ARG1043  -2.304 -14.977  -0.321
 1000    HA   ARG1043           HA       ARG1043  -2.614 -17.336   1.090
 1001   1HB   ARG1043          HB1       ARG1043  -4.268 -15.219   0.432
 1002   2HB   ARG1043          HB2       ARG1043  -5.075 -16.604  -0.291
 1003   1HG   ARG1043          HG1       ARG1043  -5.900 -16.221   1.947
 1004   2HG   ARG1043          HG2       ARG1043  -5.031 -17.755   1.872
 1005   1HD   ARG1043          HD1       ARG1043  -3.062 -16.704   2.855
 1006   2HD   ARG1043          HD2       ARG1043  -3.894 -15.148   2.875
 1007    HE   ARG1043           HE       ARG1043  -5.541 -16.783   4.307
 1008   1HH1  ARG1043          2HH1      ARG1043  -2.110 -16.041   4.583
 1009   2HH1  ARG1043          1HH1      ARG1043  -2.092 -16.181   6.313
 1010   1HH2  ARG1043          2HH2      ARG1043  -5.513 -16.962   6.562
 1011   2HH2  ARG1043          1HH2      ARG1043  -4.044 -16.682   7.449
 1012    H    LEU1044           H        LEU1044  -3.083 -16.830  -2.401
 1013    HA   LEU1044           HA       LEU1044  -3.799 -19.584  -2.869
 1014   1HB   LEU1044          HB1       LEU1044  -4.591 -18.148  -4.494
 1015   2HB   LEU1044          HB2       LEU1044  -3.085 -17.292  -4.623
 1016    HG   LEU1044           HG       LEU1044  -2.136 -19.404  -5.689
 1017   1HD1  LEU1044          1HD1      LEU1044  -5.064 -20.078  -5.926
 1018   2HD1  LEU1044          2HD1      LEU1044  -3.722 -20.947  -6.672
 1019   3HD1  LEU1044          3HD1      LEU1044  -3.891 -20.928  -4.918
 1020   1HD2  LEU1044          1HD2      LEU1044  -2.674 -17.419  -6.982
 1021   2HD2  LEU1044          2HD2      LEU1044  -3.097 -18.877  -7.879
 1022   3HD2  LEU1044          3HD2      LEU1044  -4.358 -17.928  -7.092
 1023    H    LYS1045           H        LYS1045  -0.796 -17.819  -2.677
 1024    HA   LYS1045           HA       LYS1045   0.944 -19.751  -3.768
 1025   1HB   LYS1045          HB1       LYS1045   1.420 -17.829  -1.470
 1026   2HB   LYS1045          HB2       LYS1045   2.674 -18.738  -2.291
 1027   1HG   LYS1045          HG1       LYS1045   0.953 -16.577  -3.452
 1028   2HG   LYS1045          HG2       LYS1045   2.674 -16.496  -3.071
 1029   1HD   LYS1045          HD1       LYS1045   3.261 -17.875  -4.854
 1030   2HD   LYS1045          HD2       LYS1045   1.641 -18.562  -4.982
 1031   1HE   LYS1045          HE1       LYS1045   2.034 -17.095  -6.855
 1032   2HE   LYS1045          HE2       LYS1045   0.817 -16.381  -5.799
 1033   1HZ   LYS1045          HZ1       LYS1045   2.338 -14.695  -6.481
 1034   2HZ   LYS1045          HZ2       LYS1045   2.605 -14.999  -4.839
 1035   3HZ   LYS1045          HZ3       LYS1045   3.679 -15.613  -5.994
 1036    H    MET1046           H        MET1046  -0.929 -19.565  -0.945
 1037    HA   MET1046           HA       MET1046   0.495 -21.584   0.536
 1038   1HB   MET1046          HB1       MET1046  -1.002 -19.837   1.544
 1039   2HB   MET1046          HB2       MET1046  -2.368 -20.695   0.855
 1040   1HG   MET1046          HG1       MET1046  -0.422 -21.984   2.736
 1041   2HG   MET1046          HG2       MET1046  -1.851 -21.116   3.296
 1042   1HE   MET1046          HE1       MET1046  -4.356 -21.833   2.568
 1043   2HE   MET1046          HE2       MET1046  -3.881 -21.906   0.871
 1044   3HE   MET1046          HE3       MET1046  -4.711 -23.273   1.612
 1045    H    ILE1047           H        ILE1047  -2.477 -21.520  -1.452
 1046    HA   ILE1047           HA       ILE1047  -2.872 -24.283  -1.541
 1047    HB   ILE1047           HB       ILE1047  -3.500 -22.162  -3.579
 1048   1HG1  ILE1047          1HG1      ILE1047  -5.853 -23.123  -2.655
 1049   2HG1  ILE1047          2HG1      ILE1047  -4.811 -23.401  -1.261
 1050   1HG2  ILE1047          1HG2      ILE1047  -4.335 -25.063  -3.611
 1051   2HG2  ILE1047          2HG2      ILE1047  -4.943 -23.806  -4.689
 1052   3HG2  ILE1047          3HG2      ILE1047  -3.246 -24.283  -4.759
 1053   1HD1  ILE1047          1HD1      ILE1047  -5.349 -20.779  -2.600
 1054   2HD1  ILE1047          2HD1      ILE1047  -5.881 -21.313  -1.003
 1055   3HD1  ILE1047          3HD1      ILE1047  -4.178 -21.037  -1.310
 1056    H    SER1048           H        SER1048  -0.880 -22.131  -3.440
 1057    HA   SER1048           HA       SER1048   0.110 -24.036  -5.288
 1058   1HB   SER1048          HB1       SER1048   1.269 -21.378  -4.410
 1059   2HB   SER1048          HB2       SER1048   1.705 -22.258  -5.879
 1060    HG   SER1048           HG       SER1048  -0.881 -21.252  -5.237
 1061    H    GLN1049           H        GLN1049   0.786 -23.475  -2.011
 1062    HA   GLN1049           HA       GLN1049   3.482 -24.394  -1.958
 1063   1HB   GLN1049          HB1       GLN1049   2.241 -23.055  -0.156
 1064   2HB   GLN1049          HB2       GLN1049   1.487 -24.570   0.302
 1065   1HG   GLN1049          HG1       GLN1049   4.459 -24.109   0.288
 1066   2HG   GLN1049          HG2       GLN1049   3.433 -23.878   1.699
 1067   1HE2  GLN1049          2HE2      GLN1049   5.020 -26.135  -0.353
 1068   2HE2  GLN1049          1HE2      GLN1049   4.664 -27.561   0.571
 1069    H    SER1050           H        SER1050   0.547 -25.968  -0.666
 1070    HA   SER1050           HA       SER1050   0.830 -28.351  -2.134
 1071   1HB   SER1050          HB1       SER1050   2.910 -28.431  -0.633
 1072   2HB   SER1050          HB2       SER1050   1.798 -28.681   0.711
 1073    HG   SER1050           HG       SER1050   1.209 -30.616  -0.110
 1074    H    ARG1051           H        ARG1051  -1.202 -26.495  -1.078
 1075    HA   ARG1051           HA       ARG1051  -2.954 -28.528   0.046
 1076   1HB   ARG1051          HB1       ARG1051  -2.078 -27.444   2.040
 1077   2HB   ARG1051          HB2       ARG1051  -2.514 -25.863   1.402
 1078   1HG   ARG1051          HG1       ARG1051  -4.861 -26.432   1.501
 1079   2HG   ARG1051          HG2       ARG1051  -4.467 -28.061   2.044
 1080   1HD   ARG1051          HD1       ARG1051  -3.524 -27.182   4.095
 1081   2HD   ARG1051          HD2       ARG1051  -3.802 -25.530   3.540
 1082    HE   ARG1051           HE       ARG1051  -6.274 -26.658   3.432
 1083   1HH1  ARG1051          2HH1      ARG1051  -3.860 -26.487   5.985
 1084   2HH1  ARG1051          1HH1      ARG1051  -5.050 -26.388   7.257
 1085   1HH2  ARG1051          2HH2      ARG1051  -7.806 -26.542   5.088
 1086   2HH2  ARG1051          1HH2      ARG1051  -7.289 -26.416   6.743
 1087    HA   PRO1052           HA       PRO1052  -5.278 -26.244  -3.132
 1088   1HB   PRO1052          HB1       PRO1052  -6.864 -28.720  -3.102
 1089   2HB   PRO1052          HB2       PRO1052  -6.049 -27.932  -4.456
 1090   1HG   PRO1052          HG1       PRO1052  -5.148 -30.239  -3.418
 1091   2HG   PRO1052          HG2       PRO1052  -4.044 -28.999  -4.044
 1092   1HD   PRO1052          HD1       PRO1052  -4.788 -29.619  -1.206
 1093   2HD   PRO1052          HD2       PRO1052  -3.194 -29.237  -1.894
 1094    H    HIS1053           H        HIS1053  -6.256 -27.991  -0.279
 1095    HA   HIS1053           HA       HIS1053  -8.132 -25.988   0.479
 1096   1HB   HIS1053          HB1       HIS1053  -9.546 -27.245  -1.110
 1097   2HB   HIS1053          HB2       HIS1053  -9.220 -28.730  -0.222
 1098    HD1  HIS1053           HD1      HIS1053 -11.222 -29.352   1.072
 1099    HD2  HIS1053           HD2      HIS1053 -10.632 -25.233   1.023
 1100    HE1  HIS1053           HE1      HIS1053 -13.043 -28.387   2.512
 1101    HE2  HIS1053           HE2      HIS1053 -12.826 -25.894   2.231
  Start of MODEL    8
    1   1H    ARG 920           H        ARG 920  -7.474 -19.404  -3.049
    2    HA   ARG 920           HA       ARG 920  -8.302 -18.802  -0.426
    3   1HB   ARG 920          HB1       ARG 920  -6.622 -17.217  -0.313
    4   2HB   ARG 920          HB2       ARG 920  -5.987 -18.375  -1.468
    5   1HG   ARG 920          HG1       ARG 920  -7.367 -15.810  -2.228
    6   2HG   ARG 920          HG2       ARG 920  -5.621 -15.991  -2.069
    7   1HD   ARG 920          HD1       ARG 920  -5.664 -17.734  -3.789
    8   2HD   ARG 920          HD2       ARG 920  -7.402 -17.498  -3.969
    9    HE   ARG 920           HE       ARG 920  -6.131 -15.011  -4.310
   10   1HH1  ARG 920          2HH1      ARG 920  -6.427 -18.092  -5.972
   11   2HH1  ARG 920          1HH1      ARG 920  -6.144 -17.420  -7.547
   12   1HH2  ARG 920          2HH2      ARG 920  -5.796 -14.117  -6.361
   13   2HH2  ARG 920          1HH2      ARG 920  -5.784 -15.150  -7.768
   14    H    SER 921           H        SER 921  -9.492 -17.134   0.394
   15    HA   SER 921           HA       SER 921 -11.368 -15.945  -1.472
   16   1HB   SER 921          HB1       SER 921 -12.490 -15.235   0.693
   17   2HB   SER 921          HB2       SER 921 -12.350 -16.975   0.432
   18    HG   SER 921           HG       SER 921 -11.401 -15.517   2.462
   19    H    ASN 922           H        ASN 922  -8.580 -15.080  -1.307
   20    HA   ASN 922           HA       ASN 922  -7.195 -13.290  -0.976
   21   1HB   ASN 922          HB1       ASN 922  -9.204 -11.248  -1.450
   22   2HB   ASN 922          HB2       ASN 922  -7.745 -11.612  -2.357
   23   1HD2  ASN 922          2HD2      ASN 922  -7.792 -13.293  -3.888
   24   2HD2  ASN 922          1HD2      ASN 922  -9.271 -13.670  -4.725
   25    H    ASP 923           H        ASP 923  -7.758 -14.072   1.284
   26    HA   ASP 923           HA       ASP 923  -9.288 -12.837   3.153
   27   1HB   ASP 923          HB1       ASP 923  -7.693 -14.877   3.299
   28   2HB   ASP 923          HB2       ASP 923  -6.482 -13.700   3.795
   29    H    LYS 924           H        LYS 924  -7.908 -11.773   5.149
   30    HA   LYS 924           HA       LYS 924  -7.908  -9.088   4.835
   31   1HB   LYS 924          HB1       LYS 924  -7.209 -10.797   6.858
   32   2HB   LYS 924          HB2       LYS 924  -5.689  -9.975   6.550
   33   1HG   LYS 924          HG1       LYS 924  -8.311  -8.662   7.250
   34   2HG   LYS 924          HG2       LYS 924  -6.926  -8.871   8.320
   35   1HD   LYS 924          HD1       LYS 924  -5.596  -7.521   6.656
   36   2HD   LYS 924          HD2       LYS 924  -7.124  -7.156   5.856
   37   1HE   LYS 924          HE1       LYS 924  -6.468  -6.537   8.731
   38   2HE   LYS 924          HE2       LYS 924  -6.400  -5.380   7.403
   39   1HZ   LYS 924          HZ1       LYS 924  -8.461  -5.065   8.470
   40   2HZ   LYS 924          HZ2       LYS 924  -8.824  -5.904   7.041
   41   3HZ   LYS 924          HZ3       LYS 924  -8.795  -6.727   8.523
   42    H    VAL 925           H        VAL 925  -5.426 -11.226   3.676
   43    HA   VAL 925           HA       VAL 925  -3.318  -9.491   3.231
   44    HB   VAL 925           HB       VAL 925  -2.753 -10.995   1.279
   45   1HG1  VAL 925          1HG1      VAL 925  -1.906 -11.433   3.520
   46   2HG1  VAL 925          2HG1      VAL 925  -3.386 -12.301   3.933
   47   3HG1  VAL 925          3HG1      VAL 925  -2.295 -12.949   2.708
   48   1HG2  VAL 925          1HG2      VAL 925  -5.023 -11.637   0.641
   49   2HG2  VAL 925          2HG2      VAL 925  -4.048 -13.057   1.022
   50   3HG2  VAL 925          3HG2      VAL 925  -5.234 -12.463   2.185
   51    H    TYR 926           H        TYR 926  -6.134 -10.174   1.046
   52    HA   TYR 926           HA       TYR 926  -5.048  -8.296  -0.895
   53   1HB   TYR 926          HB1       TYR 926  -6.220 -10.166  -1.794
   54   2HB   TYR 926          HB2       TYR 926  -7.564  -9.964  -0.681
   55    HD1  TYR 926           HD1      TYR 926  -9.197  -8.115  -1.042
   56    HD2  TYR 926           HD2      TYR 926  -6.164  -9.052  -3.881
   57    HE1  TYR 926           HE1      TYR 926 -10.441  -6.883  -2.780
   58    HE2  TYR 926           HE2      TYR 926  -7.396  -7.820  -5.616
   59    HH   TYR 926           HH       TYR 926 -10.114  -5.820  -4.883
   60    H    GLU 927           H        GLU 927  -7.304  -8.506   1.664
   61    HA   GLU 927           HA       GLU 927  -9.003  -6.370   1.146
   62   1HB   GLU 927          HB1       GLU 927  -9.183  -8.309   2.821
   63   2HB   GLU 927          HB2       GLU 927  -8.242  -7.286   3.899
   64   1HG   GLU 927          HG1       GLU 927 -10.118  -5.541   3.187
   65   2HG   GLU 927          HG2       GLU 927 -11.020  -7.040   2.982
   66    H    ASN 928           H        ASN 928  -6.234  -6.495   3.409
   67    HA   ASN 928           HA       ASN 928  -6.577  -3.747   4.111
   68   1HB   ASN 928          HB1       ASN 928  -5.513  -5.691   5.486
   69   2HB   ASN 928          HB2       ASN 928  -4.040  -5.247   4.634
   70   1HD2  ASN 928          2HD2      ASN 928  -4.636  -2.398   4.564
   71   2HD2  ASN 928          1HD2      ASN 928  -4.441  -1.824   6.185
   72    H    VAL 929           H        VAL 929  -4.424  -5.485   1.881
   73    HA   VAL 929           HA       VAL 929  -2.903  -3.232   1.195
   74    HB   VAL 929           HB       VAL 929  -3.644  -5.492  -0.678
   75   1HG1  VAL 929          1HG1      VAL 929  -1.540  -4.876  -1.792
   76   2HG1  VAL 929          2HG1      VAL 929  -2.707  -3.554  -1.813
   77   3HG1  VAL 929          3HG1      VAL 929  -1.356  -3.520  -0.678
   78   1HG2  VAL 929          1HG2      VAL 929  -2.654  -6.309   1.416
   79   2HG2  VAL 929          2HG2      VAL 929  -1.558  -6.527   0.052
   80   3HG2  VAL 929          3HG2      VAL 929  -1.292  -5.212   1.198
   81    H    THR 930           H        THR 930  -6.060  -4.327   0.040
   82    HA   THR 930           HA       THR 930  -6.506  -2.195  -1.770
   83    HB   THR 930           HB       THR 930  -8.555  -3.651  -0.074
   84    HG1  THR 930           HG1      THR 930  -7.364  -5.104  -1.375
   85   1HG2  THR 930          1HG2      THR 930  -9.424  -1.594  -1.083
   86   2HG2  THR 930          2HG2      THR 930  -8.872  -2.134  -2.668
   87   3HG2  THR 930          3HG2      THR 930 -10.144  -3.022  -1.828
   88    H    GLY 931           H        GLY 931  -7.042  -2.624   1.675
   89   1HA   GLY 931          HA1       GLY 931  -8.171  -0.177   2.353
   90   2HA   GLY 931          HA2       GLY 931  -7.143  -1.123   3.416
   91    H    LEU 932           H        LEU 932  -4.791  -0.915   1.654
   92    HA   LEU 932           HA       LEU 932  -3.735   1.572   2.493
   93   1HB   LEU 932          HB1       LEU 932  -2.189  -0.189   2.120
   94   2HB   LEU 932          HB2       LEU 932  -2.820  -0.501   0.511
   95    HG   LEU 932           HG       LEU 932  -1.820   1.590  -0.305
   96   1HD1  LEU 932          1HD1      LEU 932  -1.932   2.905   1.745
   97   2HD1  LEU 932          2HD1      LEU 932  -0.709   1.867   2.480
   98   3HD1  LEU 932          3HD1      LEU 932  -0.293   2.871   1.093
   99   1HD2  LEU 932          1HD2      LEU 932   0.131  -0.153   1.195
  100   2HD2  LEU 932          2HD2      LEU 932  -0.520  -0.474  -0.412
  101   3HD2  LEU 932          3HD2      LEU 932   0.523   0.924  -0.145
  102    H    VAL 933           H        VAL 933  -5.132   0.444  -0.547
  103    HA   VAL 933           HA       VAL 933  -4.834   2.880  -1.969
  104    HB   VAL 933           HB       VAL 933  -7.000   0.802  -2.360
  105   1HG1  VAL 933          1HG1      VAL 933  -5.813   2.833  -4.247
  106   2HG1  VAL 933          2HG1      VAL 933  -7.009   1.612  -4.677
  107   3HG1  VAL 933          3HG1      VAL 933  -7.425   2.887  -3.534
  108   1HG2  VAL 933          1HG2      VAL 933  -5.509  -0.218  -4.019
  109   2HG2  VAL 933          2HG2      VAL 933  -4.237   0.916  -3.566
  110   3HG2  VAL 933          3HG2      VAL 933  -4.816  -0.271  -2.397
  111    H    LYS 934           H        LYS 934  -7.433   1.560   0.040
  112    HA   LYS 934           HA       LYS 934  -9.261   3.653  -0.241
  113   1HB   LYS 934          HB1       LYS 934  -8.844   2.062   2.292
  114   2HB   LYS 934          HB2       LYS 934 -10.315   2.860   1.766
  115   1HG   LYS 934          HG1       LYS 934  -9.046   0.468   0.446
  116   2HG   LYS 934          HG2       LYS 934 -10.439   0.432   1.523
  117   1HD   LYS 934          HD1       LYS 934 -11.558   0.443  -0.450
  118   2HD   LYS 934          HD2       LYS 934 -11.345   2.186  -0.282
  119   1HE   LYS 934          HE1       LYS 934  -9.411   2.135  -1.722
  120   2HE   LYS 934          HE2       LYS 934  -9.470   0.375  -1.799
  121   1HZ   LYS 934          HZ1       LYS 934 -10.410   1.349  -3.786
  122   2HZ   LYS 934          HZ2       LYS 934 -11.624   0.548  -2.919
  123   3HZ   LYS 934          HZ3       LYS 934 -11.526   2.237  -2.873
  124    H    ALA 935           H        ALA 935  -6.389   3.326   1.707
  125    HA   ALA 935           HA       ALA 935  -6.905   5.621   3.333
  126   1HB   ALA 935          HB1       ALA 935  -4.312   4.183   2.854
  127   2HB   ALA 935          HB2       ALA 935  -4.655   5.336   4.144
  128   3HB   ALA 935          HB3       ALA 935  -5.494   3.784   4.101
  129    H    VAL 936           H        VAL 936  -5.318   5.070   0.245
  130    HA   VAL 936           HA       VAL 936  -4.442   7.821   0.208
  131    HB   VAL 936           HB       VAL 936  -3.110   6.068  -0.935
  132   1HG1  VAL 936          1HG1      VAL 936  -3.780   5.266  -3.134
  133   2HG1  VAL 936          2HG1      VAL 936  -4.936   4.760  -1.902
  134   3HG1  VAL 936          3HG1      VAL 936  -5.328   6.098  -2.981
  135   1HG2  VAL 936          1HG2      VAL 936  -2.599   7.407  -2.936
  136   2HG2  VAL 936          2HG2      VAL 936  -4.080   8.330  -2.681
  137   3HG2  VAL 936          3HG2      VAL 936  -2.781   8.402  -1.489
  138    H    ILE 937           H        ILE 937  -7.301   6.165  -0.269
  139    HA   ILE 937           HA       ILE 937  -8.570   8.282  -1.755
  140    HB   ILE 937           HB       ILE 937  -9.789   6.112  -0.037
  141   1HG1  ILE 937          1HG1      ILE 937  -9.560   6.396  -3.041
  142   2HG1  ILE 937          2HG1      ILE 937  -8.679   5.246  -2.039
  143   1HG2  ILE 937          1HG2      ILE 937 -11.921   6.725  -1.086
  144   2HG2  ILE 937          2HG2      ILE 937 -11.250   8.054  -0.138
  145   3HG2  ILE 937          3HG2      ILE 937 -11.126   8.073  -1.898
  146   1HD1  ILE 937          1HD1      ILE 937 -10.771   4.149  -1.449
  147   2HD1  ILE 937          2HD1      ILE 937 -11.661   5.310  -2.435
  148   3HD1  ILE 937          3HD1      ILE 937 -10.534   4.188  -3.197
  149    H    GLU 938           H        GLU 938  -8.243   7.273   1.638
  150    HA   GLU 938           HA       GLU 938  -9.341   9.438   2.953
  151   1HB   GLU 938          HB1       GLU 938  -6.682   8.133   3.606
  152   2HB   GLU 938          HB2       GLU 938  -7.634   9.121   4.702
  153   1HG   GLU 938          HG1       GLU 938  -8.498   6.479   3.542
  154   2HG   GLU 938          HG2       GLU 938  -7.871   6.734   5.169
  155    H    MET 939           H        MET 939  -6.256   9.164   1.323
  156    HA   MET 939           HA       MET 939  -5.183  11.667   1.971
  157   1HB   MET 939          HB1       MET 939  -3.711  10.093   1.016
  158   2HB   MET 939          HB2       MET 939  -4.768   9.804  -0.355
  159   1HG   MET 939          HG1       MET 939  -3.581  12.513   0.018
  160   2HG   MET 939          HG2       MET 939  -2.579  11.207  -0.611
  161   1HE   MET 939          HE1       MET 939  -2.154  12.629  -2.845
  162   2HE   MET 939          HE2       MET 939  -3.458  13.308  -3.822
  163   3HE   MET 939          HE3       MET 939  -3.158  13.926  -2.197
  164    H    SER 940           H        SER 940  -7.264  10.695  -0.739
  165    HA   SER 940           HA       SER 940  -7.263  13.309  -1.875
  166   1HB   SER 940          HB1       SER 940  -9.233  12.313  -3.224
  167   2HB   SER 940          HB2       SER 940  -7.624  11.630  -3.449
  168    HG   SER 940           HG       SER 940  -9.358  10.533  -1.520
  169    H    SER 941           H        SER 941  -9.212  11.753   0.591
  170    HA   SER 941           HA       SER 941 -11.374  13.675   0.263
  171   1HB   SER 941          HB1       SER 941 -12.042  12.617   2.574
  172   2HB   SER 941          HB2       SER 941 -12.232  11.677   1.095
  173    HG   SER 941           HG       SER 941 -10.614  10.406   1.664
  174    H    LYS 942           H        LYS 942  -8.815  12.921   2.493
  175    HA   LYS 942           HA       LYS 942  -8.849  15.027   4.242
  176   1HB   LYS 942          HB1       LYS 942  -6.919  13.109   3.227
  177   2HB   LYS 942          HB2       LYS 942  -6.162  14.649   3.617
  178   1HG   LYS 942          HG1       LYS 942  -7.956  13.187   5.520
  179   2HG   LYS 942          HG2       LYS 942  -6.206  12.947   5.453
  180   1HD   LYS 942          HD1       LYS 942  -5.807  15.247   5.943
  181   2HD   LYS 942          HD2       LYS 942  -7.529  15.623   5.809
  182   1HE   LYS 942          HE1       LYS 942  -7.082  13.496   7.715
  183   2HE   LYS 942          HE2       LYS 942  -6.112  14.907   8.130
  184   1HZ   LYS 942          HZ1       LYS 942  -8.362  14.897   9.135
  185   2HZ   LYS 942          HZ2       LYS 942  -8.057  16.261   8.176
  186   3HZ   LYS 942          HZ3       LYS 942  -9.030  15.003   7.579
  187    H    ILE 943           H        ILE 943  -7.519  14.889   0.971
  188    HA   ILE 943           HA       ILE 943  -6.245  17.401   1.098
  189    HB   ILE 943           HB       ILE 943  -5.981  15.351  -0.593
  190   1HG1  ILE 943          1HG1      ILE 943  -4.478  17.332  -0.351
  191   2HG1  ILE 943          2HG1      ILE 943  -4.591  16.712  -1.989
  192   1HG2  ILE 943          1HG2      ILE 943  -6.824  15.905  -2.825
  193   2HG2  ILE 943          2HG2      ILE 943  -8.128  15.598  -1.677
  194   3HG2  ILE 943          3HG2      ILE 943  -7.730  17.253  -2.138
  195   1HD1  ILE 943          1HD1      ILE 943  -5.990  19.149  -0.915
  196   2HD1  ILE 943          2HD1      ILE 943  -4.573  19.130  -1.965
  197   3HD1  ILE 943          3HD1      ILE 943  -6.121  18.530  -2.562
  198    H    GLN 944           H        GLN 944  -9.504  16.417   0.314
  199    HA   GLN 944           HA       GLN 944 -10.362  18.557  -1.203
  200   1HB   GLN 944          HB1       GLN 944 -11.917  16.992   0.855
  201   2HB   GLN 944          HB2       GLN 944 -12.645  18.132  -0.270
  202   1HG   GLN 944          HG1       GLN 944 -11.187  15.590  -0.954
  203   2HG   GLN 944          HG2       GLN 944 -12.916  15.902  -1.107
  204   1HE2  GLN 944          2HE2      GLN 944 -10.947  15.106  -3.114
  205   2HE2  GLN 944          1HE2      GLN 944 -11.016  16.310  -4.354
  206    HA   PRO 945           HA       PRO 945 -10.877  21.387   2.448
  207   1HB   PRO 945          HB1       PRO 945 -11.300  20.470   4.962
  208   2HB   PRO 945          HB2       PRO 945 -12.568  20.527   3.736
  209   1HG   PRO 945          HG1       PRO 945 -11.261  18.208   4.910
  210   2HG   PRO 945          HG2       PRO 945 -12.698  18.272   3.880
  211   1HD   PRO 945          HD1       PRO 945  -9.916  17.690   3.155
  212   2HD   PRO 945          HD2       PRO 945 -11.406  17.385   2.239
  213    H    ALA 946           H        ALA 946  -8.283  19.806   2.047
  214    HA   ALA 946           HA       ALA 946  -6.880  19.984   4.556
  215   1HB   ALA 946          HB1       ALA 946  -5.844  19.315   1.815
  216   2HB   ALA 946          HB2       ALA 946  -4.990  19.087   3.342
  217   3HB   ALA 946          HB3       ALA 946  -6.452  18.161   3.002
  218    HA   PRO 947           HA       PRO 947  -4.514  23.728   3.634
  219   1HB   PRO 947          HB1       PRO 947  -3.813  24.169   6.194
  220   2HB   PRO 947          HB2       PRO 947  -5.383  24.698   5.578
  221   1HG   PRO 947          HG1       PRO 947  -4.704  22.296   7.223
  222   2HG   PRO 947          HG2       PRO 947  -6.083  23.401   7.366
  223   1HD   PRO 947          HD1       PRO 947  -6.188  20.952   6.124
  224   2HD   PRO 947          HD2       PRO 947  -7.282  22.299   5.765
  225    HA   PRO 948           HA       PRO 948  -0.433  21.818   3.828
  226   1HB   PRO 948          HB1       PRO 948   0.867  23.113   5.944
  227   2HB   PRO 948          HB2       PRO 948   0.903  23.594   4.245
  228   1HG   PRO 948          HG1       PRO 948  -0.784  24.631   6.477
  229   2HG   PRO 948          HG2       PRO 948  -0.075  25.498   5.101
  230   1HD   PRO 948          HD1       PRO 948  -2.675  24.902   5.156
  231   2HD   PRO 948          HD2       PRO 948  -1.750  24.795   3.642
  232    H    GLU 949           H        GLU 949  -1.737  22.448   7.032
  233    HA   GLU 949           HA       GLU 949  -0.338  20.433   8.396
  234   1HB   GLU 949          HB1       GLU 949  -2.869  21.936   8.991
  235   2HB   GLU 949          HB2       GLU 949  -2.216  20.735  10.096
  236   1HG   GLU 949          HG1       GLU 949  -0.161  22.012  10.298
  237   2HG   GLU 949          HG2       GLU 949  -0.772  23.199   9.147
  238    H    GLU 950           H        GLU 950  -2.793  20.116   6.107
  239    HA   GLU 950           HA       GLU 950  -3.506  17.495   7.215
  240   1HB   GLU 950          HB1       GLU 950  -4.908  19.137   5.118
  241   2HB   GLU 950          HB2       GLU 950  -5.380  17.513   5.607
  242   1HG   GLU 950          HG1       GLU 950  -5.171  19.740   7.595
  243   2HG   GLU 950          HG2       GLU 950  -6.620  19.510   6.623
  244    H    TYR 951           H        TYR 951  -1.769  19.061   4.709
  245    HA   TYR 951           HA       TYR 951  -1.769  17.064   2.743
  246   1HB   TYR 951          HB1       TYR 951   0.278  19.125   3.533
  247   2HB   TYR 951          HB2       TYR 951   0.620  17.943   2.273
  248    HD1  TYR 951           HD1      TYR 951  -0.395  21.184   2.779
  249    HD2  TYR 951           HD2      TYR 951  -1.487  17.739   0.536
  250    HE1  TYR 951           HE1      TYR 951  -1.517  22.617   1.133
  251    HE2  TYR 951           HE2      TYR 951  -2.611  19.166  -1.117
  252    HH   TYR 951           HH       TYR 951  -2.147  22.462  -1.320
  253    H    VAL 952           H        VAL 952   0.042  17.454   5.712
  254    HA   VAL 952           HA       VAL 952   1.558  15.087   5.206
  255    HB   VAL 952           HB       VAL 952   2.863  16.417   6.471
  256   1HG1  VAL 952          1HG1      VAL 952   1.339  18.199   6.929
  257   2HG1  VAL 952          2HG1      VAL 952   0.465  17.227   8.113
  258   3HG1  VAL 952          3HG1      VAL 952   2.120  17.739   8.440
  259   1HG2  VAL 952          1HG2      VAL 952   3.033  15.556   8.768
  260   2HG2  VAL 952          2HG2      VAL 952   1.447  14.803   8.598
  261   3HG2  VAL 952          3HG2      VAL 952   2.791  14.266   7.591
  262    HA   PRO 953           HA       PRO 953  -1.559  13.037   8.484
  263   1HB   PRO 953          HB1       PRO 953  -3.853  14.763   7.704
  264   2HB   PRO 953          HB2       PRO 953  -3.528  13.947   9.244
  265   1HG   PRO 953          HG1       PRO 953  -3.082  16.527   9.048
  266   2HG   PRO 953          HG2       PRO 953  -1.885  15.490   9.853
  267   1HD   PRO 953          HD1       PRO 953  -1.830  16.664   7.095
  268   2HD   PRO 953          HD2       PRO 953  -0.516  16.514   8.279
  269    H    MET 954           H        MET 954  -2.745  14.444   5.392
  270    HA   MET 954           HA       MET 954  -4.425  12.279   4.763
  271   1HB   MET 954          HB1       MET 954  -4.428  13.040   2.489
  272   2HB   MET 954          HB2       MET 954  -4.390  14.462   3.518
  273   1HG   MET 954          HG1       MET 954  -1.986  14.676   3.117
  274   2HG   MET 954          HG2       MET 954  -2.044  13.264   2.067
  275   1HE   MET 954          HE1       MET 954  -3.289  16.932   2.614
  276   2HE   MET 954          HE2       MET 954  -4.259  17.197   1.165
  277   3HE   MET 954          HE3       MET 954  -4.783  16.029   2.378
  278    H    VAL 955           H        VAL 955  -1.090  12.927   3.769
  279    HA   VAL 955           HA       VAL 955  -0.569  10.358   2.803
  280    HB   VAL 955           HB       VAL 955   1.421  12.230   4.096
  281   1HG1  VAL 955          1HG1      VAL 955   1.825   9.921   2.198
  282   2HG1  VAL 955          2HG1      VAL 955   3.083  11.020   2.766
  283   3HG1  VAL 955          3HG1      VAL 955   2.263   9.953   3.906
  284   1HG2  VAL 955          1HG2      VAL 955   0.594  11.932   1.209
  285   2HG2  VAL 955          2HG2      VAL 955   0.216  13.295   2.263
  286   3HG2  VAL 955          3HG2      VAL 955   1.888  12.970   1.809
  287    H    LYS 956           H        LYS 956  -0.704  11.531   6.078
  288    HA   LYS 956           HA       LYS 956   0.704   9.405   7.310
  289   1HB   LYS 956          HB1       LYS 956  -0.004  11.540   8.431
  290   2HB   LYS 956          HB2       LYS 956  -1.651  10.929   8.439
  291   1HG   LYS 956          HG1       LYS 956  -0.599  10.616  10.597
  292   2HG   LYS 956          HG2       LYS 956  -0.960   9.063   9.843
  293   1HD   LYS 956          HD1       LYS 956   1.313   8.716   9.261
  294   2HD   LYS 956          HD2       LYS 956   1.743  10.380   9.668
  295   1HE   LYS 956          HE1       LYS 956   0.769   8.295  11.616
  296   2HE   LYS 956          HE2       LYS 956   2.453   8.773  11.393
  297   1HZ   LYS 956          HZ1       LYS 956   0.255  10.568  12.281
  298   2HZ   LYS 956          HZ2       LYS 956   1.439   9.898  13.286
  299   3HZ   LYS 956          HZ3       LYS 956   1.879  11.014  12.089
  300    H    GLU 957           H        GLU 957  -2.624   9.856   6.328
  301    HA   GLU 957           HA       GLU 957  -3.744   7.476   7.179
  302   1HB   GLU 957          HB1       GLU 957  -4.327   9.109   4.699
  303   2HB   GLU 957          HB2       GLU 957  -5.286   7.707   5.162
  304   1HG   GLU 957          HG1       GLU 957  -4.905  10.247   6.722
  305   2HG   GLU 957          HG2       GLU 957  -6.380   9.672   5.945
  306    H    VAL 958           H        VAL 958  -2.014   8.015   4.059
  307    HA   VAL 958           HA       VAL 958  -2.213   5.263   3.340
  308    HB   VAL 958           HB       VAL 958  -0.810   5.699   1.497
  309   1HG1  VAL 958          1HG1      VAL 958  -2.976   6.785   1.349
  310   2HG1  VAL 958          2HG1      VAL 958  -2.317   8.237   2.104
  311   3HG1  VAL 958          3HG1      VAL 958  -1.744   7.733   0.514
  312   1HG2  VAL 958          1HG2      VAL 958   0.591   7.681   1.261
  313   2HG2  VAL 958          2HG2      VAL 958   0.122   8.214   2.876
  314   3HG2  VAL 958          3HG2      VAL 958   1.058   6.732   2.672
  315    H    GLY 959           H        GLY 959   0.111   7.061   5.263
  316   1HA   GLY 959          HA1       GLY 959   2.168   5.070   5.128
  317   2HA   GLY 959          HA2       GLY 959   2.075   6.384   6.290
  318    H    LEU 960           H        LEU 960  -0.189   5.925   7.639
  319    HA   LEU 960           HA       LEU 960   0.169   3.676   9.254
  320   1HB   LEU 960          HB1       LEU 960  -2.379   5.195   8.677
  321   2HB   LEU 960          HB2       LEU 960  -2.162   4.066  10.000
  322    HG   LEU 960           HG       LEU 960  -0.587   6.620   9.668
  323   1HD1  LEU 960          1HD1      LEU 960  -1.953   7.489  11.489
  324   2HD1  LEU 960          2HD1      LEU 960  -2.944   7.087  10.086
  325   3HD1  LEU 960          3HD1      LEU 960  -2.915   6.009  11.483
  326   1HD2  LEU 960          1HD2      LEU 960   0.606   4.903  10.909
  327   2HD2  LEU 960          2HD2      LEU 960   0.080   6.196  11.989
  328   3HD2  LEU 960          3HD2      LEU 960  -0.794   4.665  11.955
  329    H    ALA 961           H        ALA 961  -1.552   4.114   6.287
  330    HA   ALA 961           HA       ALA 961  -3.046   1.748   6.230
  331   1HB   ALA 961          HB1       ALA 961  -3.135   2.005   3.822
  332   2HB   ALA 961          HB2       ALA 961  -3.385   3.551   4.635
  333   3HB   ALA 961          HB3       ALA 961  -1.829   3.187   3.891
  334    H    LEU 962           H        LEU 962   0.193   2.326   4.711
  335    HA   LEU 962           HA       LEU 962   0.505  -0.385   4.042
  336   1HB   LEU 962          HB1       LEU 962   1.764   1.181   2.841
  337   2HB   LEU 962          HB2       LEU 962   2.428   1.901   4.296
  338    HG   LEU 962           HG       LEU 962   3.113  -0.942   3.698
  339   1HD1  LEU 962          1HD1      LEU 962   4.947  -0.227   2.253
  340   2HD1  LEU 962          2HD1      LEU 962   3.383   0.178   1.547
  341   3HD1  LEU 962          3HD1      LEU 962   4.355   1.433   2.317
  342   1HD2  LEU 962          1HD2      LEU 962   3.910   0.098   5.758
  343   2HD2  LEU 962          2HD2      LEU 962   5.256  -0.262   4.676
  344   3HD2  LEU 962          3HD2      LEU 962   4.663   1.393   4.824
  345    H    ARG 963           H        ARG 963   1.421   1.409   6.977
  346    HA   ARG 963           HA       ARG 963   2.760  -0.719   8.205
  347   1HB   ARG 963          HB1       ARG 963   1.239   1.614   9.348
  348   2HB   ARG 963          HB2       ARG 963   2.069   0.441  10.365
  349   1HG   ARG 963          HG1       ARG 963   3.342   2.163   8.245
  350   2HG   ARG 963          HG2       ARG 963   3.459   2.396   9.990
  351   1HD   ARG 963          HD1       ARG 963   4.659   0.351  10.255
  352   2HD   ARG 963          HD2       ARG 963   4.364  -0.103   8.579
  353    HE   ARG 963           HE       ARG 963   5.767   2.342   8.671
  354   1HH1  ARG 963          2HH1      ARG 963   6.238  -1.057   9.326
  355   2HH1  ARG 963          1HH1      ARG 963   7.918  -1.053   8.899
  356   1HH2  ARG 963          2HH2      ARG 963   7.992   2.371   8.091
  357   2HH2  ARG 963          1HH2      ARG 963   8.924   0.901   8.214
  358    H    THR 964           H        THR 964  -0.689   0.198   8.538
  359    HA   THR 964           HA       THR 964  -1.476  -2.093   9.926
  360    HB   THR 964           HB       THR 964  -3.182  -0.748   7.830
  361    HG1  THR 964           HG1      THR 964  -2.722   0.969   9.041
  362   1HG2  THR 964          1HG2      THR 964  -4.121  -2.781   8.808
  363   2HG2  THR 964          2HG2      THR 964  -3.856  -2.138  10.427
  364   3HG2  THR 964          3HG2      THR 964  -5.013  -1.357   9.348
  365    H    LEU 965           H        LEU 965  -1.062  -1.528   6.489
  366    HA   LEU 965           HA       LEU 965  -1.855  -3.991   5.459
  367   1HB   LEU 965          HB1       LEU 965  -1.468  -2.211   3.969
  368   2HB   LEU 965          HB2       LEU 965   0.139  -1.920   4.594
  369    HG   LEU 965           HG       LEU 965  -0.427  -4.494   3.167
  370   1HD1  LEU 965          1HD1      LEU 965   0.228  -1.871   1.830
  371   2HD1  LEU 965          2HD1      LEU 965   0.079  -3.445   1.048
  372   3HD1  LEU 965          3HD1      LEU 965  -1.337  -2.675   1.762
  373   1HD2  LEU 965          1HD2      LEU 965   1.916  -4.257   2.524
  374   2HD2  LEU 965          2HD2      LEU 965   1.991  -2.686   3.325
  375   3HD2  LEU 965          3HD2      LEU 965   1.744  -4.152   4.276
  376    H    LEU 966           H        LEU 966   1.004  -3.029   7.132
  377    HA   LEU 966           HA       LEU 966   2.672  -5.228   6.454
  378   1HB   LEU 966          HB1       LEU 966   3.549  -3.128   7.386
  379   2HB   LEU 966          HB2       LEU 966   2.760  -3.477   8.911
  380    HG   LEU 966           HG       LEU 966   4.187  -5.507   9.131
  381   1HD1  LEU 966          1HD1      LEU 966   5.635  -4.361   6.749
  382   2HD1  LEU 966          2HD1      LEU 966   6.132  -5.756   7.708
  383   3HD1  LEU 966          3HD1      LEU 966   4.657  -5.829   6.744
  384   1HD2  LEU 966          1HD2      LEU 966   4.793  -3.463  10.274
  385   2HD2  LEU 966          2HD2      LEU 966   6.243  -4.276   9.686
  386   3HD2  LEU 966          3HD2      LEU 966   5.614  -2.868   8.830
  387    H    ALA 967           H        ALA 967   0.248  -4.738   8.968
  388    HA   ALA 967           HA       ALA 967   0.724  -7.158  10.378
  389   1HB   ALA 967          HB1       ALA 967  -1.880  -5.666  10.017
  390   2HB   ALA 967          HB2       ALA 967  -1.555  -6.903  11.232
  391   3HB   ALA 967          HB3       ALA 967  -0.687  -5.370  11.283
  392    H    THR 968           H        THR 968  -1.353  -6.331   7.659
  393    HA   THR 968           HA       THR 968  -2.321  -8.890   7.081
  394    HB   THR 968           HB       THR 968  -1.977  -6.347   5.596
  395    HG1  THR 968           HG1      THR 968  -4.299  -7.657   5.266
  396   1HG2  THR 968          1HG2      THR 968  -1.221  -7.984   3.937
  397   2HG2  THR 968          2HG2      THR 968  -2.695  -8.917   4.194
  398   3HG2  THR 968          3HG2      THR 968  -2.786  -7.294   3.509
  399    H    VAL 969           H        VAL 969   0.636  -7.246   6.034
  400    HA   VAL 969           HA       VAL 969   1.811  -9.257   4.548
  401    HB   VAL 969           HB       VAL 969   3.168  -7.337   6.448
  402   1HG1  VAL 969          1HG1      VAL 969   4.415  -9.027   4.284
  403   2HG1  VAL 969          2HG1      VAL 969   5.237  -7.807   5.257
  404   3HG1  VAL 969          3HG1      VAL 969   4.613  -9.269   6.020
  405   1HG2  VAL 969          1HG2      VAL 969   1.938  -6.277   4.633
  406   2HG2  VAL 969          2HG2      VAL 969   3.678  -6.086   4.414
  407   3HG2  VAL 969          3HG2      VAL 969   2.794  -7.276   3.460
  408    H    ASP 970           H        ASP 970   1.408  -9.099   8.034
  409    HA   ASP 970           HA       ASP 970   3.161 -11.231   8.690
  410   1HB   ASP 970          HB1       ASP 970   2.400  -9.727  10.435
  411   2HB   ASP 970          HB2       ASP 970   0.724 -10.163  10.127
  412    H    GLU 971           H        GLU 971  -0.112 -11.160   7.568
  413    HA   GLU 971           HA       GLU 971  -0.645 -13.937   7.954
  414   1HB   GLU 971          HB1       GLU 971  -1.684 -12.002   5.878
  415   2HB   GLU 971          HB2       GLU 971  -2.325 -13.623   6.131
  416   1HG   GLU 971          HG1       GLU 971  -2.197 -11.540   8.284
  417   2HG   GLU 971          HG2       GLU 971  -3.603 -11.768   7.227
  418    H    SER 972           H        SER 972   0.534 -12.103   5.191
  419    HA   SER 972           HA       SER 972   1.032 -14.308   3.521
  420   1HB   SER 972          HB1       SER 972   1.979 -12.657   2.050
  421   2HB   SER 972          HB2       SER 972   0.620 -11.911   2.872
  422    HG   SER 972           HG       SER 972   2.742 -11.472   4.381
  423    H    LEU 973           H        LEU 973   2.715 -12.892   6.147
  424    HA   LEU 973           HA       LEU 973   5.383 -13.357   5.496
  425   1HB   LEU 973          HB1       LEU 973   4.710 -11.906   7.314
  426   2HB   LEU 973          HB2       LEU 973   4.024 -13.258   8.188
  427    HG   LEU 973           HG       LEU 973   6.307 -14.213   8.435
  428   1HD1  LEU 973          1HD1      LEU 973   7.348 -13.168   6.486
  429   2HD1  LEU 973          2HD1      LEU 973   7.192 -11.585   7.249
  430   3HD1  LEU 973          3HD1      LEU 973   8.241 -12.809   7.964
  431   1HD2  LEU 973          1HD2      LEU 973   5.302 -12.871  10.203
  432   2HD2  LEU 973          2HD2      LEU 973   7.043 -12.611  10.127
  433   3HD2  LEU 973          3HD2      LEU 973   5.943 -11.402   9.466
  434    HA   PRO 974           HA       PRO 974   5.254 -17.719   7.543
  435   1HB   PRO 974          HB1       PRO 974   2.371 -18.372   7.604
  436   2HB   PRO 974          HB2       PRO 974   3.619 -18.698   8.811
  437   1HG   PRO 974          HG1       PRO 974   1.760 -16.823   9.215
  438   2HG   PRO 974          HG2       PRO 974   3.432 -16.603   9.766
  439   1HD   PRO 974          HD1       PRO 974   2.069 -15.472   7.350
  440   2HD   PRO 974          HD2       PRO 974   3.185 -14.684   8.483
  441    H    VAL 975           H        VAL 975   2.849 -16.522   5.298
  442    HA   VAL 975           HA       VAL 975   2.892 -18.918   3.673
  443    HB   VAL 975           HB       VAL 975   2.001 -16.217   2.704
  444   1HG1  VAL 975          1HG1      VAL 975   0.520 -17.564   1.313
  445   2HG1  VAL 975          2HG1      VAL 975   2.210 -18.002   1.055
  446   3HG1  VAL 975          3HG1      VAL 975   1.172 -19.034   2.038
  447   1HG2  VAL 975          1HG2      VAL 975  -0.236 -16.777   3.524
  448   2HG2  VAL 975          2HG2      VAL 975   0.405 -18.230   4.292
  449   3HG2  VAL 975          3HG2      VAL 975   0.912 -16.637   4.855
  450    H    LEU 976           H        LEU 976   5.083 -16.282   3.998
  451    HA   LEU 976           HA       LEU 976   5.948 -16.499   1.273
  452   1HB   LEU 976          HB1       LEU 976   7.677 -14.858   1.752
  453   2HB   LEU 976          HB2       LEU 976   6.075 -14.311   2.173
  454    HG   LEU 976           HG       LEU 976   6.800 -15.028   4.596
  455   1HD1  LEU 976          1HD1      LEU 976   8.926 -16.031   3.977
  456   2HD1  LEU 976          2HD1      LEU 976   9.449 -14.509   3.258
  457   3HD1  LEU 976          3HD1      LEU 976   9.178 -14.615   4.998
  458   1HD2  LEU 976          1HD2      LEU 976   7.810 -12.548   3.219
  459   2HD2  LEU 976          2HD2      LEU 976   6.192 -12.782   3.880
  460   3HD2  LEU 976          3HD2      LEU 976   7.588 -12.749   4.957
  461    HA   PRO 977           HA       PRO 977   9.615 -19.001   3.112
  462   1HB   PRO 977          HB1       PRO 977   8.302 -20.405   5.349
  463   2HB   PRO 977          HB2       PRO 977   9.921 -19.703   5.263
  464   1HG   PRO 977          HG1       PRO 977   7.987 -18.580   6.740
  465   2HG   PRO 977          HG2       PRO 977   9.194 -17.602   5.878
  466   1HD   PRO 977          HD1       PRO 977   6.360 -18.218   5.120
  467   2HD   PRO 977          HD2       PRO 977   7.243 -16.682   5.021
  468    H    ALA 978           H        ALA 978   6.213 -19.785   3.424
  469    HA   ALA 978           HA       ALA 978   6.381 -22.414   2.379
  470   1HB   ALA 978          HB1       ALA 978   4.435 -21.612   3.621
  471   2HB   ALA 978          HB2       ALA 978   4.061 -20.491   2.312
  472   3HB   ALA 978          HB3       ALA 978   3.980 -22.231   2.034
  473    H    SER 979           H        SER 979   5.640 -19.272   0.811
  474    HA   SER 979           HA       SER 979   6.557 -20.232  -1.738
  475   1HB   SER 979          HB1       SER 979   3.619 -20.049  -1.108
  476   2HB   SER 979          HB2       SER 979   4.212 -19.894  -2.769
  477    HG   SER 979           HG       SER 979   5.231 -22.037  -1.342
  478    H    THR 980           H        THR 980   4.465 -17.821  -0.197
  479    HA   THR 980           HA       THR 980   4.333 -15.797  -2.014
  480    HB   THR 980           HB       THR 980   4.672 -15.482   0.967
  481    HG1  THR 980           HG1      THR 980   2.547 -16.237  -0.713
  482   1HG2  THR 980          1HG2      THR 980   4.832 -13.338  -0.221
  483   2HG2  THR 980          2HG2      THR 980   3.310 -13.684  -1.043
  484   3HG2  THR 980          3HG2      THR 980   3.334 -13.454   0.704
  485    H    HIS 981           H        HIS 981   7.259 -16.669  -0.395
  486    HA   HIS 981           HA       HIS 981   8.552 -14.282   0.021
  487   1HB   HIS 981          HB1       HIS 981   9.302 -16.778   0.406
  488   2HB   HIS 981          HB2       HIS 981  10.133 -16.544  -1.126
  489    HD1  HIS 981           HD1      HIS 981  11.842 -14.340  -1.104
  490    HD2  HIS 981           HD2      HIS 981  10.713 -15.991   2.549
  491    HE1  HIS 981           HE1      HIS 981  13.540 -13.539   0.568
  492    HE2  HIS 981           HE2      HIS 981  12.954 -14.715   2.716
  493    H    ARG 982           H        ARG 982   7.722 -15.587  -3.027
  494    HA   ARG 982           HA       ARG 982   9.903 -14.335  -4.472
  495   1HB   ARG 982          HB1       ARG 982   7.330 -15.499  -5.547
  496   2HB   ARG 982          HB2       ARG 982   8.722 -15.026  -6.508
  497   1HG   ARG 982          HG1       ARG 982   8.641 -17.234  -4.460
  498   2HG   ARG 982          HG2       ARG 982   8.653 -17.429  -6.212
  499   1HD   ARG 982          HD1       ARG 982  10.864 -16.337  -6.294
  500   2HD   ARG 982          HD2       ARG 982  10.853 -16.224  -4.533
  501    HE   ARG 982           HE       ARG 982  10.435 -18.903  -5.467
  502   1HH1  ARG 982          2HH1      ARG 982  12.933 -16.515  -4.778
  503   2HH1  ARG 982          1HH1      ARG 982  14.165 -17.721  -4.541
  504   1HH2  ARG 982          2HH2      ARG 982  12.033 -20.446  -5.132
  505   2HH2  ARG 982          1HH2      ARG 982  13.650 -19.966  -4.714
  506    H    GLU 983           H        GLU 983   6.348 -13.755  -4.352
  507    HA   GLU 983           HA       GLU 983   6.677 -11.222  -5.655
  508   1HB   GLU 983          HB1       GLU 983   4.309 -10.886  -5.191
  509   2HB   GLU 983          HB2       GLU 983   4.607 -12.373  -6.029
  510   1HG   GLU 983          HG1       GLU 983   4.417 -12.407  -3.091
  511   2HG   GLU 983          HG2       GLU 983   2.951 -12.163  -4.037
  512    H    ILE 984           H        ILE 984   6.202 -12.303  -2.351
  513    HA   ILE 984           HA       ILE 984   5.618  -9.779  -1.252
  514    HB   ILE 984           HB       ILE 984   5.378 -12.067  -0.126
  515   1HG1  ILE 984          1HG1      ILE 984   5.776 -11.096   2.146
  516   2HG1  ILE 984          2HG1      ILE 984   6.593  -9.735   1.381
  517   1HG2  ILE 984          1HG2      ILE 984   8.272 -11.509   0.539
  518   2HG2  ILE 984          2HG2      ILE 984   7.275 -12.757   1.285
  519   3HG2  ILE 984          3HG2      ILE 984   7.662 -12.848  -0.433
  520   1HD1  ILE 984          1HD1      ILE 984   4.515  -9.177   0.208
  521   2HD1  ILE 984          2HD1      ILE 984   3.708 -10.514   1.024
  522   3HD1  ILE 984          3HD1      ILE 984   4.323  -9.152   1.961
  523    H    GLU 985           H        GLU 985   8.522 -11.214  -2.385
  524    HA   GLU 985           HA       GLU 985  10.330  -9.383  -1.130
  525   1HB   GLU 985          HB1       GLU 985  10.516 -11.377  -3.328
  526   2HB   GLU 985          HB2       GLU 985  11.704 -10.083  -3.317
  527   1HG   GLU 985          HG1       GLU 985  12.323 -10.719  -1.016
  528   2HG   GLU 985          HG2       GLU 985  11.187 -12.065  -1.115
  529    H    MET 986           H        MET 986   8.633  -9.530  -4.261
  530    HA   MET 986           HA       MET 986  10.146  -7.312  -5.272
  531   1HB   MET 986          HB1       MET 986   8.747  -7.414  -7.241
  532   2HB   MET 986          HB2       MET 986   9.259  -9.028  -6.776
  533   1HG   MET 986          HG1       MET 986   7.087  -9.465  -5.802
  534   2HG   MET 986          HG2       MET 986   6.569  -7.821  -6.177
  535   1HE   MET 986          HE1       MET 986   7.514 -11.041  -9.344
  536   2HE   MET 986          HE2       MET 986   8.775 -10.206  -8.434
  537   3HE   MET 986          HE3       MET 986   7.655 -11.287  -7.605
  538    H    ALA 987           H        ALA 987   6.856  -7.619  -4.006
  539    HA   ALA 987           HA       ALA 987   6.202  -4.907  -4.619
  540   1HB   ALA 987          HB1       ALA 987   4.676  -6.911  -2.975
  541   2HB   ALA 987          HB2       ALA 987   4.063  -5.385  -3.618
  542   3HB   ALA 987          HB3       ALA 987   4.521  -6.685  -4.718
  543    H    GLN 988           H        GLN 988   6.926  -6.755  -1.641
  544    HA   GLN 988           HA       GLN 988   6.233  -4.665   0.105
  545   1HB   GLN 988          HB1       GLN 988   6.520  -7.006   0.851
  546   2HB   GLN 988          HB2       GLN 988   8.255  -6.854   0.613
  547   1HG   GLN 988          HG1       GLN 988   8.239  -4.996   2.278
  548   2HG   GLN 988          HG2       GLN 988   6.550  -5.381   2.602
  549   1HE2  GLN 988          2HE2      GLN 988   7.063  -8.268   2.197
  550   2HE2  GLN 988          1HE2      GLN 988   7.851  -8.795   3.640
  551    H    LYS 989           H        LYS 989   9.378  -5.566  -1.311
  552    HA   LYS 989           HA       LYS 989  10.848  -3.501  -0.029
  553   1HB   LYS 989          HB1       LYS 989  11.354  -5.069  -2.557
  554   2HB   LYS 989          HB2       LYS 989  12.486  -3.876  -1.935
  555   1HG   LYS 989          HG1       LYS 989  12.714  -5.167   0.128
  556   2HG   LYS 989          HG2       LYS 989  11.574  -6.359  -0.496
  557   1HD   LYS 989          HD1       LYS 989  13.749  -7.237  -0.857
  558   2HD   LYS 989          HD2       LYS 989  13.145  -6.706  -2.426
  559   1HE   LYS 989          HE1       LYS 989  14.947  -5.029  -0.689
  560   2HE   LYS 989          HE2       LYS 989  15.551  -6.141  -1.913
  561   1HZ   LYS 989          HZ1       LYS 989  13.938  -3.683  -2.312
  562   2HZ   LYS 989          HZ2       LYS 989  15.469  -4.047  -2.936
  563   3HZ   LYS 989          HZ3       LYS 989  14.105  -4.859  -3.525
  564    H    LEU 990           H        LEU 990   8.927  -3.724  -2.903
  565    HA   LEU 990           HA       LEU 990   9.649  -1.266  -4.086
  566   1HB   LEU 990          HB1       LEU 990   8.603  -2.659  -5.564
  567   2HB   LEU 990          HB2       LEU 990   7.517  -3.307  -4.358
  568    HG   LEU 990           HG       LEU 990   6.114  -1.323  -4.540
  569   1HD1  LEU 990          1HD1      LEU 990   6.493   0.299  -6.332
  570   2HD1  LEU 990          2HD1      LEU 990   7.855   0.297  -5.210
  571   3HD1  LEU 990          3HD1      LEU 990   7.994  -0.516  -6.770
  572   1HD2  LEU 990          1HD2      LEU 990   6.730  -2.646  -7.169
  573   2HD2  LEU 990          2HD2      LEU 990   5.649  -3.258  -5.916
  574   3HD2  LEU 990          3HD2      LEU 990   5.251  -1.771  -6.776
  575    H    LEU 991           H        LEU 991   7.177  -2.249  -1.788
  576    HA   LEU 991           HA       LEU 991   5.707   0.130  -1.616
  577   1HB   LEU 991          HB1       LEU 991   6.235  -1.952   0.497
  578   2HB   LEU 991          HB2       LEU 991   4.965  -0.745   0.560
  579    HG   LEU 991           HG       LEU 991   5.111  -2.716  -1.698
  580   1HD1  LEU 991          1HD1      LEU 991   3.561  -4.133  -0.415
  581   2HD1  LEU 991          2HD1      LEU 991   5.130  -4.006   0.379
  582   3HD1  LEU 991          3HD1      LEU 991   3.757  -3.080   0.986
  583   1HD2  LEU 991          1HD2      LEU 991   3.628  -0.788  -1.938
  584   2HD2  LEU 991          2HD2      LEU 991   2.702  -2.280  -1.770
  585   3HD2  LEU 991          3HD2      LEU 991   2.852  -1.178  -0.402
  586    H    ASN 992           H        ASN 992   8.432  -1.074   0.248
  587    HA   ASN 992           HA       ASN 992   8.590   0.913   2.174
  588   1HB   ASN 992          HB1       ASN 992   9.898  -1.147   2.262
  589   2HB   ASN 992          HB2       ASN 992  10.835  -0.632   0.864
  590   1HD2  ASN 992          2HD2      ASN 992  10.349  -0.269   4.270
  591   2HD2  ASN 992          1HD2      ASN 992  11.739   0.717   4.570
  592    H    SER 993           H        SER 993   9.870   0.835  -1.112
  593    HA   SER 993           HA       SER 993  11.461   3.176  -0.776
  594   1HB   SER 993          HB1       SER 993  10.552   1.850  -3.333
  595   2HB   SER 993          HB2       SER 993  11.873   3.002  -3.165
  596    HG   SER 993           HG       SER 993  12.220   0.961  -1.438
  597    H    ASP 994           H        ASP 994   8.108   2.640  -1.826
  598    HA   ASP 994           HA       ASP 994   8.145   5.391  -2.871
  599   1HB   ASP 994          HB1       ASP 994   6.593   3.000  -3.710
  600   2HB   ASP 994          HB2       ASP 994   5.884   4.598  -3.950
  601    H    LEU 995           H        LEU 995   6.264   3.308  -0.637
  602    HA   LEU 995           HA       LEU 995   4.557   5.368   0.248
  603   1HB   LEU 995          HB1       LEU 995   4.143   3.195   1.168
  604   2HB   LEU 995          HB2       LEU 995   5.792   3.031   1.731
  605    HG   LEU 995           HG       LEU 995   3.942   3.360   3.448
  606   1HD1  LEU 995          1HD1      LEU 995   6.290   3.525   4.021
  607   2HD1  LEU 995          2HD1      LEU 995   6.306   5.218   3.527
  608   3HD1  LEU 995          3HD1      LEU 995   5.336   4.713   4.910
  609   1HD2  LEU 995          1HD2      LEU 995   2.708   5.133   2.403
  610   2HD2  LEU 995          2HD2      LEU 995   3.362   5.714   3.934
  611   3HD2  LEU 995          3HD2      LEU 995   4.125   6.183   2.416
  612    H    ALA 996           H        ALA 996   7.880   4.611   0.939
  613    HA   ALA 996           HA       ALA 996   8.507   6.612   2.764
  614   1HB   ALA 996          HB1       ALA 996  10.813   6.464   2.031
  615   2HB   ALA 996          HB2       ALA 996  10.093   4.856   2.118
  616   3HB   ALA 996          HB3       ALA 996  10.308   5.642   0.554
  617    H    GLU 997           H        GLU 997   8.664   6.876  -0.809
  618    HA   GLU 997           HA       GLU 997   9.353   9.594  -0.745
  619   1HB   GLU 997          HB1       GLU 997   7.963   8.077  -2.944
  620   2HB   GLU 997          HB2       GLU 997   8.642   9.700  -3.096
  621   1HG   GLU 997          HG1       GLU 997  10.823   8.576  -2.252
  622   2HG   GLU 997          HG2       GLU 997  10.040   7.083  -2.770
  623    H    LEU 998           H        LEU 998   6.220   8.023  -0.561
  624    HA   LEU 998           HA       LEU 998   4.817  10.474  -1.050
  625   1HB   LEU 998          HB1       LEU 998   3.850   8.095  -1.243
  626   2HB   LEU 998          HB2       LEU 998   3.652   8.183   0.501
  627    HG   LEU 998           HG       LEU 998   2.216  10.137   0.278
  628   1HD1  LEU 998          1HD1      LEU 998   3.274  11.137  -1.661
  629   2HD1  LEU 998          2HD1      LEU 998   2.694   9.819  -2.679
  630   3HD1  LEU 998          3HD1      LEU 998   1.544  10.933  -1.940
  631   1HD2  LEU 998          1HD2      LEU 998   0.318   9.119  -0.852
  632   2HD2  LEU 998          2HD2      LEU 998   1.387   7.934  -1.600
  633   3HD2  LEU 998          3HD2      LEU 998   1.165   7.940   0.150
  634    H    ILE 999           H        ILE 999   6.210   8.877   1.704
  635    HA   ILE 999           HA       ILE 999   5.267  10.642   3.701
  636    HB   ILE 999           HB       ILE 999   7.939   9.234   3.520
  637   1HG1  ILE 999          1HG1      ILE 999   5.408   8.575   5.046
  638   2HG1  ILE 999          2HG1      ILE 999   6.011   7.725   3.627
  639   1HG2  ILE 999          1HG2      ILE 999   8.176   9.671   5.910
  640   2HG2  ILE 999          2HG2      ILE 999   8.098  11.174   4.992
  641   3HG2  ILE 999          3HG2      ILE 999   6.686  10.615   5.891
  642   1HD1  ILE 999          1HD1      ILE 999   7.986   7.031   4.885
  643   2HD1  ILE 999          2HD1      ILE 999   7.370   7.871   6.308
  644   3HD1  ILE 999          3HD1      ILE 999   6.496   6.487   5.653
  645    H    ASN1000           H        ASN1000   7.640  11.019   1.177
  646    HA   ASN1000           HA       ASN1000   8.587  13.578   2.167
  647   1HB   ASN1000          HB1       ASN1000   8.916  12.305  -0.569
  648   2HB   ASN1000          HB2       ASN1000   9.733  13.760  -0.011
  649   1HD2  ASN1000          2HD2      ASN1000  10.891  11.310  -0.958
  650   2HD2  ASN1000          1HD2      ASN1000  11.866  10.690   0.339
  651    H    LYS1001           H        LYS1001   5.788  12.489   0.663
  652    HA   LYS1001           HA       LYS1001   5.192  14.980  -0.670
  653   1HB   LYS1001          HB1       LYS1001   4.026  13.014  -1.493
  654   2HB   LYS1001          HB2       LYS1001   3.365  12.694   0.107
  655   1HG   LYS1001          HG1       LYS1001   2.092  14.780   0.006
  656   2HG   LYS1001          HG2       LYS1001   2.754  15.107  -1.595
  657   1HD   LYS1001          HD1       LYS1001   1.679  13.082  -2.448
  658   2HD   LYS1001          HD2       LYS1001   1.031  12.748  -0.841
  659   1HE   LYS1001          HE1       LYS1001   0.422  15.179  -2.519
  660   2HE   LYS1001          HE2       LYS1001  -0.642  13.791  -2.291
  661   1HZ   LYS1001          HZ1       LYS1001  -1.263  15.601  -0.834
  662   2HZ   LYS1001          HZ2       LYS1001  -0.714  14.288   0.076
  663   3HZ   LYS1001          HZ3       LYS1001   0.286  15.631  -0.154
  664    H    MET1002           H        MET1002   4.275  13.392   2.355
  665    HA   MET1002           HA       MET1002   2.754  15.552   3.359
  666   1HB   MET1002          HB1       MET1002   2.903  14.519   5.520
  667   2HB   MET1002          HB2       MET1002   2.705  13.231   4.344
  668   1HG   MET1002          HG1       MET1002   4.962  12.582   4.544
  669   2HG   MET1002          HG2       MET1002   5.376  14.047   5.430
  670   1HE   MET1002          HE1       MET1002   2.881  10.567   7.173
  671   2HE   MET1002          HE2       MET1002   2.267  11.628   5.905
  672   3HE   MET1002          HE3       MET1002   3.616  10.543   5.570
  673    H    LYS1003           H        LYS1003   6.102  14.609   3.405
  674    HA   LYS1003           HA       LYS1003   7.029  16.671   5.085
  675   1HB   LYS1003          HB1       LYS1003   8.333  14.660   4.673
  676   2HB   LYS1003          HB2       LYS1003   8.404  15.018   2.955
  677   1HG   LYS1003          HG1       LYS1003   9.699  17.055   3.482
  678   2HG   LYS1003          HG2       LYS1003   9.719  16.559   5.175
  679   1HD   LYS1003          HD1       LYS1003  10.880  14.501   4.566
  680   2HD   LYS1003          HD2       LYS1003  10.825  14.964   2.864
  681   1HE   LYS1003          HE1       LYS1003  12.991  15.520   3.610
  682   2HE   LYS1003          HE2       LYS1003  12.107  17.039   3.519
  683   1HZ   LYS1003          HZ1       LYS1003  12.756  15.482   5.958
  684   2HZ   LYS1003          HZ2       LYS1003  13.326  17.021   5.536
  685   3HZ   LYS1003          HZ3       LYS1003  11.698  16.809   5.954
  686    H    LEU1004           H        LEU1004   7.359  16.298   1.530
  687    HA   LEU1004           HA       LEU1004   8.441  18.764   1.046
  688   1HB   LEU1004          HB1       LEU1004   7.997  16.703  -0.520
  689   2HB   LEU1004          HB2       LEU1004   6.573  17.622  -0.969
  690    HG   LEU1004           HG       LEU1004   8.268  19.564  -1.393
  691   1HD1  LEU1004          1HD1      LEU1004  10.063  17.159  -1.640
  692   2HD1  LEU1004          2HD1      LEU1004  10.456  18.813  -2.115
  693   3HD1  LEU1004          3HD1      LEU1004  10.188  18.420  -0.415
  694   1HD2  LEU1004          1HD2      LEU1004   8.483  18.934  -3.687
  695   2HD2  LEU1004          2HD2      LEU1004   8.225  17.228  -3.296
  696   3HD2  LEU1004          3HD2      LEU1004   6.908  18.388  -3.109
  697    H    ALA1005           H        ALA1005   4.991  17.965   0.654
  698    HA   ALA1005           HA       ALA1005   4.216  20.468  -0.316
  699   1HB   ALA1005          HB1       ALA1005   2.550  18.513   1.266
  700   2HB   ALA1005          HB2       ALA1005   1.940  19.808   0.234
  701   3HB   ALA1005          HB3       ALA1005   2.822  18.455  -0.476
  702    H    GLN1006           H        GLN1006   4.231  19.198   2.988
  703    HA   GLN1006           HA       GLN1006   3.230  21.641   4.108
  704   1HB   GLN1006          HB1       GLN1006   3.015  20.423   6.014
  705   2HB   GLN1006          HB2       GLN1006   3.268  19.064   4.928
  706   1HG   GLN1006          HG1       GLN1006   4.801  18.495   6.457
  707   2HG   GLN1006          HG2       GLN1006   5.811  19.607   5.534
  708   1HE2  GLN1006          2HE2      GLN1006   7.100  20.245   7.194
  709   2HE2  GLN1006          1HE2      GLN1006   6.542  21.155   8.555
  710    H    GLN1007           H        GLN1007   6.306  20.384   3.203
  711    HA   GLN1007           HA       GLN1007   7.889  21.703   5.115
  712   1HB   GLN1007          HB1       GLN1007   8.235  19.766   3.168
  713   2HB   GLN1007          HB2       GLN1007   9.201  21.118   2.605
  714   1HG   GLN1007          HG1       GLN1007  10.317  19.368   4.084
  715   2HG   GLN1007          HG2       GLN1007  10.583  21.064   4.492
  716   1HE2  GLN1007          2HE2      GLN1007   8.659  18.214   5.314
  717   2HE2  GLN1007          1HE2      GLN1007   8.398  18.652   6.970
  718    H    TYR1008           H        TYR1008   7.118  22.515   1.721
  719    HA   TYR1008           HA       TYR1008   7.935  25.259   2.430
  720   1HB   TYR1008          HB1       TYR1008   7.851  24.807  -0.432
  721   2HB   TYR1008          HB2       TYR1008   9.083  25.572   0.548
  722    HD1  TYR1008           HD1      TYR1008   8.034  22.561  -1.183
  723    HD2  TYR1008           HD2      TYR1008  10.949  24.235   1.444
  724    HE1  TYR1008           HE1      TYR1008   9.596  20.769  -1.789
  725    HE2  TYR1008           HE2      TYR1008  12.506  22.418   0.884
  726    HH   TYR1008           HH       TYR1008  11.953  20.272  -1.742
  727    H    VAL1009           H        VAL1009   5.276  23.988   2.667
  728    HA   VAL1009           HA       VAL1009   3.454  24.787   0.815
  729    HB   VAL1009           HB       VAL1009   2.740  23.712   2.852
  730   1HG1  VAL1009          1HG1      VAL1009   2.590  24.934   4.984
  731   2HG1  VAL1009          2HG1      VAL1009   4.256  24.726   4.444
  732   3HG1  VAL1009          3HG1      VAL1009   3.455  26.285   4.252
  733   1HG2  VAL1009          1HG2      VAL1009   1.081  24.999   1.629
  734   2HG2  VAL1009          2HG2      VAL1009   0.757  25.064   3.362
  735   3HG2  VAL1009          3HG2      VAL1009   1.498  26.444   2.551
  736    H    MET1010           H        MET1010   2.960  26.588  -0.172
  737    HA   MET1010           HA       MET1010   3.190  29.174   1.110
  738   1HB   MET1010          HB1       MET1010   5.480  28.469   0.110
  739   2HB   MET1010          HB2       MET1010   4.722  28.733  -1.451
  740   1HG   MET1010          HG1       MET1010   4.798  30.851   0.671
  741   2HG   MET1010          HG2       MET1010   6.109  30.621  -0.483
  742   1HE   MET1010          HE1       MET1010   5.840  33.163  -1.218
  743   2HE   MET1010          HE2       MET1010   4.312  33.870  -1.746
  744   3HE   MET1010          HE3       MET1010   4.517  33.357  -0.072
  745    H    THR1011           H        THR1011   2.007  30.790  -0.059
  746    HA   THR1011           HA       THR1011  -0.339  29.770  -1.204
  747    HB   THR1011           HB       THR1011  -0.261  31.887   0.026
  748    HG1  THR1011           HG1      THR1011  -1.241  31.928  -2.646
  749   1HG2  THR1011          1HG2      THR1011   0.549  33.932  -1.063
  750   2HG2  THR1011          2HG2      THR1011   1.853  32.769  -0.821
  751   3HG2  THR1011          3HG2      THR1011   1.138  32.971  -2.420
  752    H    SER1012           H        SER1012   2.631  30.188  -2.734
  753    HA   SER1012           HA       SER1012   1.291  29.933  -5.330
  754   1HB   SER1012          HB1       SER1012   2.118  32.234  -5.182
  755   2HB   SER1012          HB2       SER1012   3.731  31.642  -4.792
  756    HG   SER1012           HG       SER1012   2.390  30.909  -7.175
  757    H    LEU1013           H        LEU1013   4.331  29.498  -3.533
  758    HA   LEU1013           HA       LEU1013   5.518  27.897  -5.564
  759   1HB   LEU1013          HB1       LEU1013   6.278  28.441  -2.705
  760   2HB   LEU1013          HB2       LEU1013   7.208  27.371  -3.736
  761    HG   LEU1013           HG       LEU1013   7.492  29.326  -5.320
  762   1HD1  LEU1013          1HD1      LEU1013   5.660  30.713  -4.509
  763   2HD1  LEU1013          2HD1      LEU1013   6.468  30.880  -2.950
  764   3HD1  LEU1013          3HD1      LEU1013   7.202  31.563  -4.400
  765   1HD2  LEU1013          1HD2      LEU1013   8.632  29.532  -2.540
  766   2HD2  LEU1013          2HD2      LEU1013   9.283  28.586  -3.878
  767   3HD2  LEU1013          3HD2      LEU1013   9.269  30.347  -3.968
  768    H    GLN1014           H        GLN1014   3.327  27.167  -3.033
  769    HA   GLN1014           HA       GLN1014   4.186  24.652  -2.187
  770   1HB   GLN1014          HB1       GLN1014   2.296  26.136  -1.261
  771   2HB   GLN1014          HB2       GLN1014   1.281  25.378  -2.474
  772   1HG   GLN1014          HG1       GLN1014   2.811  23.705  -0.529
  773   2HG   GLN1014          HG2       GLN1014   1.280  24.452  -0.074
  774   1HE2  GLN1014          2HE2      GLN1014   2.850  22.069  -1.988
  775   2HE2  GLN1014          1HE2      GLN1014   1.421  21.301  -2.590
  776    H    GLN1015           H        GLN1015   2.277  25.538  -5.017
  777    HA   GLN1015           HA       GLN1015   0.905  23.170  -5.398
  778   1HB   GLN1015          HB1       GLN1015   1.886  25.047  -7.514
  779   2HB   GLN1015          HB2       GLN1015   0.575  23.897  -7.702
  780   1HG   GLN1015          HG1       GLN1015   0.632  26.289  -5.874
  781   2HG   GLN1015          HG2       GLN1015  -0.310  26.112  -7.353
  782   1HE2  GLN1015          2HE2      GLN1015  -2.112  24.791  -7.359
  783   2HE2  GLN1015          1HE2      GLN1015  -2.861  24.235  -5.897
  784    H    GLU1016           H        GLU1016   4.081  24.033  -6.822
  785    HA   GLU1016           HA       GLU1016   4.765  21.811  -8.179
  786   1HB   GLU1016          HB1       GLU1016   6.499  23.351  -7.952
  787   2HB   GLU1016          HB2       GLU1016   6.350  23.410  -6.201
  788   1HG   GLU1016          HG1       GLU1016   8.270  22.194  -6.382
  789   2HG   GLU1016          HG2       GLU1016   7.090  20.904  -6.361
  790    H    TYR1017           H        TYR1017   4.901  22.047  -4.652
  791    HA   TYR1017           HA       TYR1017   6.001  19.455  -4.260
  792   1HB   TYR1017          HB1       TYR1017   4.527  21.066  -2.171
  793   2HB   TYR1017          HB2       TYR1017   5.923  20.000  -1.958
  794    HD1  TYR1017           HD1      TYR1017   7.734  20.827  -4.025
  795    HD2  TYR1017           HD2      TYR1017   5.224  23.223  -1.570
  796    HE1  TYR1017           HE1      TYR1017   9.204  22.734  -4.425
  797    HE2  TYR1017           HE2      TYR1017   6.685  25.164  -1.971
  798    HH   TYR1017           HH       TYR1017   8.855  25.368  -4.404
  799    H    LYS1018           H        LYS1018   2.895  20.770  -4.636
  800    HA   LYS1018           HA       LYS1018   1.389  18.514  -3.679
  801   1HB   LYS1018          HB1       LYS1018   0.622  20.915  -3.726
  802   2HB   LYS1018          HB2       LYS1018   0.530  20.789  -5.471
  803   1HG   LYS1018          HG1       LYS1018  -1.215  19.129  -5.298
  804   2HG   LYS1018          HG2       LYS1018  -1.075  19.137  -3.534
  805   1HD   LYS1018          HD1       LYS1018  -1.643  21.546  -3.542
  806   2HD   LYS1018          HD2       LYS1018  -1.881  21.456  -5.287
  807   1HE   LYS1018          HE1       LYS1018  -3.703  19.899  -4.994
  808   2HE   LYS1018          HE2       LYS1018  -3.417  19.847  -3.252
  809   1HZ   LYS1018          HZ1       LYS1018  -3.901  22.266  -3.210
  810   2HZ   LYS1018          HZ2       LYS1018  -4.335  22.183  -4.843
  811   3HZ   LYS1018          HZ3       LYS1018  -5.228  21.324  -3.689
  812    H    LYS1019           H        LYS1019   2.538  19.769  -6.778
  813    HA   LYS1019           HA       LYS1019   1.017  17.902  -8.379
  814   1HB   LYS1019          HB1       LYS1019   1.476  20.106  -9.253
  815   2HB   LYS1019          HB2       LYS1019   3.207  19.875  -9.044
  816   1HG   LYS1019          HG1       LYS1019   3.025  17.982 -10.708
  817   2HG   LYS1019          HG2       LYS1019   1.388  18.559 -11.039
  818   1HD   LYS1019          HD1       LYS1019   2.259  20.732 -11.680
  819   2HD   LYS1019          HD2       LYS1019   3.897  20.220 -11.273
  820   1HE   LYS1019          HE1       LYS1019   3.707  18.445 -13.005
  821   2HE   LYS1019          HE2       LYS1019   2.142  19.116 -13.462
  822   1HZ   LYS1019          HZ1       LYS1019   3.789  19.987 -14.926
  823   2HZ   LYS1019          HZ2       LYS1019   3.303  21.246 -13.899
  824   3HZ   LYS1019          HZ3       LYS1019   4.783  20.461 -13.633
  825    H    GLN1020           H        GLN1020   4.168  18.047  -7.018
  826    HA   GLN1020           HA       GLN1020   5.308  16.164  -8.936
  827   1HB   GLN1020          HB1       GLN1020   6.681  18.054  -8.073
  828   2HB   GLN1020          HB2       GLN1020   6.586  17.349  -6.465
  829   1HG   GLN1020          HG1       GLN1020   7.711  15.330  -7.310
  830   2HG   GLN1020          HG2       GLN1020   7.861  16.099  -8.887
  831   1HE2  GLN1020          2HE2      GLN1020   8.398  18.735  -7.748
  832   2HE2  GLN1020          1HE2      GLN1020  10.020  18.664  -7.147
  833    H    MET1021           H        MET1021   4.544  16.378  -5.511
  834    HA   MET1021           HA       MET1021   5.207  13.649  -5.007
  835   1HB   MET1021          HB1       MET1021   3.749  15.712  -3.375
  836   2HB   MET1021          HB2       MET1021   4.128  14.097  -2.796
  837   1HG   MET1021          HG1       MET1021   6.161  16.124  -3.700
  838   2HG   MET1021          HG2       MET1021   5.717  15.816  -2.025
  839   1HE   MET1021          HE1       MET1021   8.011  14.887  -4.938
  840   2HE   MET1021          HE2       MET1021   8.341  13.168  -4.719
  841   3HE   MET1021          HE3       MET1021   6.748  13.699  -5.256
  842    H    LEU1022           H        LEU1022   2.431  15.286  -6.211
  843    HA   LEU1022           HA       LEU1022   0.467  13.336  -5.647
  844   1HB   LEU1022          HB1       LEU1022  -0.050  15.563  -6.587
  845   2HB   LEU1022          HB2       LEU1022   0.743  15.105  -8.081
  846    HG   LEU1022           HG       LEU1022  -0.958  13.351  -8.435
  847   1HD1  LEU1022          1HD1      LEU1022  -2.249  14.539  -5.985
  848   2HD1  LEU1022          2HD1      LEU1022  -2.976  13.342  -7.055
  849   3HD1  LEU1022          3HD1      LEU1022  -1.545  12.929  -6.113
  850   1HD2  LEU1022          1HD2      LEU1022  -1.232  15.565  -9.432
  851   2HD2  LEU1022          2HD2      LEU1022  -2.789  14.855  -9.009
  852   3HD2  LEU1022          3HD2      LEU1022  -2.089  16.113  -7.990
  853    H    THR1023           H        THR1023   2.760  13.729  -8.321
  854    HA   THR1023           HA       THR1023   2.131  11.402  -9.752
  855    HB   THR1023           HB       THR1023   4.883  12.631  -9.484
  856    HG1  THR1023           HG1      THR1023   4.003  14.347 -10.362
  857   1HG2  THR1023          1HG2      THR1023   5.184  11.822 -11.776
  858   2HG2  THR1023          2HG2      THR1023   4.794  10.491 -10.688
  859   3HG2  THR1023          3HG2      THR1023   3.554  11.145 -11.759
  860    H    ALA1024           H        ALA1024   3.926  11.932  -6.833
  861    HA   ALA1024           HA       ALA1024   5.214   9.348  -6.797
  862   1HB   ALA1024          HB1       ALA1024   5.921   9.960  -4.535
  863   2HB   ALA1024          HB2       ALA1024   6.265  11.249  -5.689
  864   3HB   ALA1024          HB3       ALA1024   4.885  11.387  -4.597
  865    H    ALA1025           H        ALA1025   2.275  10.772  -5.549
  866    HA   ALA1025           HA       ALA1025   1.553   8.676  -3.780
  867   1HB   ALA1025          HB1       ALA1025  -0.700   9.634  -3.870
  868   2HB   ALA1025          HB2       ALA1025   0.520  10.894  -3.667
  869   3HB   ALA1025          HB3       ALA1025  -0.225  10.632  -5.244
  870    H    HIS1026           H        HIS1026   0.855   9.338  -7.182
  871    HA   HIS1026           HA       HIS1026  -0.785   7.147  -7.720
  872   1HB   HIS1026          HB1       HIS1026  -0.466   8.922  -9.351
  873   2HB   HIS1026          HB2       HIS1026   1.240   8.523  -9.505
  874    HD1  HIS1026           HD1      HIS1026   1.591   7.491 -11.719
  875    HD2  HIS1026           HD2      HIS1026  -1.942   6.178  -9.960
  876    HE1  HIS1026           HE1      HIS1026   0.597   5.838 -13.332
  877    HE2  HIS1026           HE2      HIS1026  -1.635   5.216 -12.345
  878    H    ALA1027           H        ALA1027   2.707   7.426  -7.535
  879    HA   ALA1027           HA       ALA1027   3.331   4.867  -8.534
  880   1HB   ALA1027          HB1       ALA1027   5.529   5.225  -7.563
  881   2HB   ALA1027          HB2       ALA1027   4.966   6.680  -8.384
  882   3HB   ALA1027          HB3       ALA1027   4.908   6.583  -6.624
  883    H    LEU1028           H        LEU1028   2.888   6.051  -5.186
  884    HA   LEU1028           HA       LEU1028   3.502   3.498  -4.063
  885   1HB   LEU1028          HB1       LEU1028   3.823   4.871  -2.336
  886   2HB   LEU1028          HB2       LEU1028   2.833   6.138  -3.008
  887    HG   LEU1028           HG       LEU1028   1.607   3.752  -1.626
  888   1HD1  LEU1028          1HD1      LEU1028   3.220   4.733  -0.085
  889   2HD1  LEU1028          2HD1      LEU1028   2.497   6.322  -0.337
  890   3HD1  LEU1028          3HD1      LEU1028   1.563   5.041   0.433
  891   1HD2  LEU1028          1HD2      LEU1028   0.655   6.591  -2.035
  892   2HD2  LEU1028          2HD2      LEU1028   0.092   5.173  -2.921
  893   3HD2  LEU1028          3HD2      LEU1028  -0.227   5.318  -1.192
  894    H    ALA1029           H        ALA1029   0.578   5.092  -5.111
  895    HA   ALA1029           HA       ALA1029  -1.299   3.241  -4.225
  896   1HB   ALA1029          HB1       ALA1029  -2.709   3.964  -6.072
  897   2HB   ALA1029          HB2       ALA1029  -1.903   5.346  -5.329
  898   3HB   ALA1029          HB3       ALA1029  -1.317   4.704  -6.864
  899    H    VAL1030           H        VAL1030   0.692   3.170  -7.191
  900    HA   VAL1030           HA       VAL1030  -0.191   0.644  -8.070
  901    HB   VAL1030           HB       VAL1030   2.488   1.952  -8.582
  902   1HG1  VAL1030          1HG1      VAL1030   1.000  -0.171 -10.125
  903   2HG1  VAL1030          2HG1      VAL1030   2.518   0.584 -10.610
  904   3HG1  VAL1030          3HG1      VAL1030   2.456  -0.420  -9.160
  905   1HG2  VAL1030          1HG2      VAL1030   1.465   2.797 -10.643
  906   2HG2  VAL1030          2HG2      VAL1030  -0.088   2.128 -10.143
  907   3HG2  VAL1030          3HG2      VAL1030   0.654   3.426  -9.207
  908    H    ASP1031           H        ASP1031   2.266   1.623  -5.806
  909    HA   ASP1031           HA       ASP1031   3.568  -0.811  -5.359
  910   1HB   ASP1031          HB1       ASP1031   2.868   1.464  -3.511
  911   2HB   ASP1031          HB2       ASP1031   3.719   0.041  -2.927
  912    H    ALA1032           H        ALA1032   0.618   0.495  -3.873
  913    HA   ALA1032           HA       ALA1032  -0.083  -1.719  -2.321
  914   1HB   ALA1032          HB1       ALA1032  -1.178   0.461  -2.135
  915   2HB   ALA1032          HB2       ALA1032  -1.911   0.230  -3.724
  916   3HB   ALA1032          HB3       ALA1032  -2.353  -0.830  -2.384
  917    H    LYS1033           H        LYS1033  -1.092  -0.863  -5.639
  918    HA   LYS1033           HA       LYS1033  -2.775  -3.011  -6.114
  919   1HB   LYS1033          HB1       LYS1033  -2.532  -1.020  -7.566
  920   2HB   LYS1033          HB2       LYS1033  -0.981  -1.634  -8.117
  921   1HG   LYS1033          HG1       LYS1033  -2.160  -3.648  -8.985
  922   2HG   LYS1033          HG2       LYS1033  -3.689  -2.871  -8.566
  923   1HD   LYS1033          HD1       LYS1033  -3.246  -2.486 -10.896
  924   2HD   LYS1033          HD2       LYS1033  -3.048  -0.962 -10.028
  925   1HE   LYS1033          HE1       LYS1033  -1.245  -1.176 -11.590
  926   2HE   LYS1033          HE2       LYS1033  -0.598  -1.391  -9.965
  927   1HZ   LYS1033          HZ1       LYS1033  -0.765  -3.835 -10.354
  928   2HZ   LYS1033          HZ2       LYS1033  -1.167  -3.509 -11.967
  929   3HZ   LYS1033          HZ3       LYS1033   0.350  -3.045 -11.365
  930    H    ASN1034           H        ASN1034   0.734  -2.797  -6.583
  931    HA   ASN1034           HA       ASN1034   1.046  -5.287  -7.871
  932   1HB   ASN1034          HB1       ASN1034   2.785  -3.543  -7.891
  933   2HB   ASN1034          HB2       ASN1034   3.043  -3.786  -6.164
  934   1HD2  ASN1034          2HD2      ASN1034   5.146  -4.405  -6.353
  935   2HD2  ASN1034          1HD2      ASN1034   5.638  -5.896  -7.059
  936    H    LEU1035           H        LEU1035   1.285  -4.380  -4.435
  937    HA   LEU1035           HA       LEU1035   2.073  -7.055  -3.632
  938   1HB   LEU1035          HB1       LEU1035   2.816  -5.161  -2.279
  939   2HB   LEU1035          HB2       LEU1035   1.152  -4.664  -2.001
  940    HG   LEU1035           HG       LEU1035   0.927  -7.051  -0.933
  941   1HD1  LEU1035          1HD1      LEU1035   2.978  -7.783   0.164
  942   2HD1  LEU1035          2HD1      LEU1035   3.126  -7.842  -1.593
  943   3HD1  LEU1035          3HD1      LEU1035   3.883  -6.532  -0.686
  944   1HD2  LEU1035          1HD2      LEU1035   0.608  -4.986   0.279
  945   2HD2  LEU1035          2HD2      LEU1035   1.566  -6.113   1.238
  946   3HD2  LEU1035          3HD2      LEU1035   2.353  -4.767   0.413
  947    H    LEU1036           H        LEU1036  -0.848  -5.238  -3.998
  948    HA   LEU1036           HA       LEU1036  -2.687  -6.684  -2.507
  949   1HB   LEU1036          HB1       LEU1036  -3.303  -4.592  -3.453
  950   2HB   LEU1036          HB2       LEU1036  -2.900  -5.119  -5.071
  951    HG   LEU1036           HG       LEU1036  -5.105  -6.566  -3.702
  952   1HD1  LEU1036          1HD1      LEU1036  -6.708  -4.818  -4.325
  953   2HD1  LEU1036          2HD1      LEU1036  -5.566  -4.243  -3.111
  954   3HD1  LEU1036          3HD1      LEU1036  -5.375  -3.765  -4.798
  955   1HD2  LEU1036          1HD2      LEU1036  -4.686  -5.506  -6.501
  956   2HD2  LEU1036          2HD2      LEU1036  -4.396  -7.162  -5.968
  957   3HD2  LEU1036          3HD2      LEU1036  -6.035  -6.511  -5.970
  958    H    ASP1037           H        ASP1037  -1.269  -7.322  -5.621
  959    HA   ASP1037           HA       ASP1037  -3.007  -9.632  -6.049
  960   1HB   ASP1037          HB1       ASP1037  -2.545  -8.126  -7.970
  961   2HB   ASP1037          HB2       ASP1037  -0.826  -8.469  -7.806
  962    H    VAL1038           H        VAL1038   0.214  -8.625  -5.374
  963    HA   VAL1038           HA       VAL1038   1.665 -10.979  -5.445
  964    HB   VAL1038           HB       VAL1038   1.794  -8.377  -4.053
  965   1HG1  VAL1038          1HG1      VAL1038   2.389  -9.976  -2.256
  966   2HG1  VAL1038          2HG1      VAL1038   3.716 -10.541  -3.269
  967   3HG1  VAL1038          3HG1      VAL1038   3.693  -8.876  -2.703
  968   1HG2  VAL1038          1HG2      VAL1038   4.010  -8.295  -5.116
  969   2HG2  VAL1038          2HG2      VAL1038   3.739  -9.921  -5.742
  970   3HG2  VAL1038          3HG2      VAL1038   2.704  -8.591  -6.263
  971    H    ILE1039           H        ILE1039  -0.307  -9.627  -2.851
  972    HA   ILE1039           HA       ILE1039   0.402 -11.809  -1.088
  973    HB   ILE1039           HB       ILE1039   0.409  -9.306  -0.481
  974   1HG1  ILE1039          1HG1      ILE1039  -1.002 -11.293   1.295
  975   2HG1  ILE1039          2HG1      ILE1039   0.744 -11.077   1.156
  976   1HG2  ILE1039          1HG2      ILE1039  -1.816  -8.797  -1.316
  977   2HG2  ILE1039          2HG2      ILE1039  -2.505  -9.906  -0.128
  978   3HG2  ILE1039          3HG2      ILE1039  -1.670  -8.451   0.407
  979   1HD1  ILE1039          1HD1      ILE1039  -1.210  -9.013   2.138
  980   2HD1  ILE1039          2HD1      ILE1039  -0.144  -9.999   3.148
  981   3HD1  ILE1039          3HD1      ILE1039   0.542  -8.819   2.029
  982    H    ASP1040           H        ASP1040  -2.497 -10.441  -2.678
  983    HA   ASP1040           HA       ASP1040  -4.273 -12.451  -1.950
  984   1HB   ASP1040          HB1       ASP1040  -5.110 -10.768  -3.425
  985   2HB   ASP1040          HB2       ASP1040  -3.894 -11.138  -4.647
  986    H    GLN1041           H        GLN1041  -1.702 -12.505  -4.369
  987    HA   GLN1041           HA       GLN1041  -2.041 -15.255  -5.039
  988   1HB   GLN1041          HB1       GLN1041   0.268 -13.366  -5.385
  989   2HB   GLN1041          HB2       GLN1041   0.378 -15.069  -5.805
  990   1HG   GLN1041          HG1       GLN1041  -1.655 -13.173  -6.964
  991   2HG   GLN1041          HG2       GLN1041  -0.109 -13.556  -7.718
  992   1HE2  GLN1041          2HE2      GLN1041   0.251 -15.630  -8.511
  993   2HE2  GLN1041          1HE2      GLN1041  -1.060 -16.704  -8.872
  994    H    ALA1042           H        ALA1042  -0.111 -13.489  -2.616
  995    HA   ALA1042           HA       ALA1042   1.286 -15.537  -1.523
  996   1HB   ALA1042          HB1       ALA1042  -0.222 -13.403  -0.034
  997   2HB   ALA1042          HB2       ALA1042   1.080 -14.391   0.629
  998   3HB   ALA1042          HB3       ALA1042   1.409 -13.266  -0.689
  999    H    ARG1043           H        ARG1043  -1.994 -14.587  -0.540
 1000    HA   ARG1043           HA       ARG1043  -2.528 -16.787   1.064
 1001   1HB   ARG1043          HB1       ARG1043  -3.894 -14.601   0.603
 1002   2HB   ARG1043          HB2       ARG1043  -4.714 -15.596  -0.593
 1003   1HG   ARG1043          HG1       ARG1043  -5.945 -15.596   1.488
 1004   2HG   ARG1043          HG2       ARG1043  -5.302 -17.207   1.160
 1005   1HD   ARG1043          HD1       ARG1043  -3.497 -16.848   2.730
 1006   2HD   ARG1043          HD2       ARG1043  -4.010 -15.180   2.985
 1007    HE   ARG1043           HE       ARG1043  -5.975 -17.237   3.608
 1008   1HH1  ARG1043          2HH1      ARG1043  -3.438 -15.143   4.844
 1009   2HH1  ARG1043          1HH1      ARG1043  -4.043 -15.144   6.473
 1010   1HH2  ARG1043          2HH2      ARG1043  -6.781 -17.224   5.758
 1011   2HH2  ARG1043          1HH2      ARG1043  -5.952 -16.307   6.983
 1012    H    LEU1044           H        LEU1044  -2.826 -16.465  -2.453
 1013    HA   LEU1044           HA       LEU1044  -3.908 -19.062  -2.876
 1014   1HB   LEU1044          HB1       LEU1044  -3.994 -17.383  -4.631
 1015   2HB   LEU1044          HB2       LEU1044  -2.241 -17.352  -4.720
 1016    HG   LEU1044           HG       LEU1044  -2.280 -19.736  -5.447
 1017   1HD1  LEU1044          1HD1      LEU1044  -5.258 -19.304  -5.593
 1018   2HD1  LEU1044          2HD1      LEU1044  -4.384 -20.709  -6.202
 1019   3HD1  LEU1044          3HD1      LEU1044  -4.420 -20.374  -4.469
 1020   1HD2  LEU1044          1HD2      LEU1044  -2.101 -17.954  -7.083
 1021   2HD2  LEU1044          2HD2      LEU1044  -3.072 -19.283  -7.717
 1022   3HD2  LEU1044          3HD2      LEU1044  -3.858 -17.813  -7.143
 1023    H    LYS1045           H        LYS1045  -0.573 -17.832  -2.827
 1024    HA   LYS1045           HA       LYS1045   0.894 -20.095  -3.382
 1025   1HB   LYS1045          HB1       LYS1045   1.385 -17.972  -1.286
 1026   2HB   LYS1045          HB2       LYS1045   2.564 -19.188  -1.723
 1027   1HG   LYS1045          HG1       LYS1045   1.500 -16.969  -3.426
 1028   2HG   LYS1045          HG2       LYS1045   3.147 -17.198  -2.826
 1029   1HD   LYS1045          HD1       LYS1045   3.330 -19.250  -4.182
 1030   2HD   LYS1045          HD2       LYS1045   1.707 -18.964  -4.812
 1031   1HE   LYS1045          HE1       LYS1045   4.106 -17.180  -5.170
 1032   2HE   LYS1045          HE2       LYS1045   3.391 -18.222  -6.398
 1033   1HZ   LYS1045          HZ1       LYS1045   1.306 -16.883  -6.068
 1034   2HZ   LYS1045          HZ2       LYS1045   2.236 -15.789  -5.165
 1035   3HZ   LYS1045          HZ3       LYS1045   2.593 -16.061  -6.799
 1036    H    MET1046           H        MET1046  -0.759 -19.151  -0.491
 1037    HA   MET1046           HA       MET1046   0.236 -21.240   1.177
 1038   1HB   MET1046          HB1       MET1046  -0.749 -19.123   2.002
 1039   2HB   MET1046          HB2       MET1046  -2.317 -19.658   1.425
 1040   1HG   MET1046          HG1       MET1046  -2.255 -21.539   2.971
 1041   2HG   MET1046          HG2       MET1046  -0.654 -21.029   3.514
 1042   1HE   MET1046          HE1       MET1046  -1.614 -21.121   6.032
 1043   2HE   MET1046          HE2       MET1046  -3.048 -20.235   6.553
 1044   3HE   MET1046          HE3       MET1046  -3.202 -21.572   5.413
 1045    H    ILE1047           H        ILE1047  -2.615 -20.854  -0.846
 1046    HA   ILE1047           HA       ILE1047  -3.793 -23.376  -0.306
 1047    HB   ILE1047           HB       ILE1047  -4.000 -21.747  -2.847
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.597 -20.393  -0.894
 1049   2HG1  ILE1047          2HG1      ILE1047  -6.023 -20.763  -1.858
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.838 -23.832  -1.679
 1051   2HG2  ILE1047          2HG2      ILE1047  -6.150 -22.882  -3.132
 1052   3HG2  ILE1047          3HG2      ILE1047  -4.809 -24.027  -3.097
 1053   1HD1  ILE1047          1HD1      ILE1047  -5.213 -22.154   0.686
 1054   2HD1  ILE1047          2HD1      ILE1047  -6.477 -20.935   0.528
 1055   3HD1  ILE1047          3HD1      ILE1047  -6.653 -22.498  -0.270
 1056    H    SER1048           H        SER1048  -1.398 -22.201  -2.583
 1057    HA   SER1048           HA       SER1048  -1.073 -24.402  -4.231
 1058   1HB   SER1048          HB1       SER1048   0.967 -22.381  -3.240
 1059   2HB   SER1048          HB2       SER1048   1.251 -23.512  -4.568
 1060    HG   SER1048           HG       SER1048  -0.636 -22.556  -5.585
 1061    H    GLN1049           H        GLN1049   0.681 -23.665  -1.204
 1062    HA   GLN1049           HA       GLN1049   2.141 -26.084  -1.170
 1063   1HB   GLN1049          HB1       GLN1049   1.414 -24.167   1.041
 1064   2HB   GLN1049          HB2       GLN1049   2.475 -25.549   1.274
 1065   1HG   GLN1049          HG1       GLN1049   2.951 -23.242  -0.601
 1066   2HG   GLN1049          HG2       GLN1049   3.751 -23.514   0.948
 1067   1HE2  GLN1049          2HE2      GLN1049   5.272 -25.172   1.125
 1068   2HE2  GLN1049          1HE2      GLN1049   6.008 -25.889  -0.264
 1069    H    SER1050           H        SER1050  -1.048 -25.243  -0.060
 1070    HA   SER1050           HA       SER1050  -1.401 -27.654   1.474
 1071   1HB   SER1050          HB1       SER1050  -3.472 -25.669   0.504
 1072   2HB   SER1050          HB2       SER1050  -3.701 -26.889   1.757
 1073    HG   SER1050           HG       SER1050  -2.105 -24.553   1.820
 1074    H    ARG1051           H        ARG1051  -1.482 -26.831  -1.773
 1075    HA   ARG1051           HA       ARG1051  -2.014 -27.881  -3.691
 1076   1HB   ARG1051          HB1       ARG1051  -0.978 -29.872  -2.665
 1077   2HB   ARG1051          HB2       ARG1051  -2.532 -30.314  -1.971
 1078   1HG   ARG1051          HG1       ARG1051  -2.136 -31.625  -3.948
 1079   2HG   ARG1051          HG2       ARG1051  -3.462 -30.501  -4.252
 1080   1HD   ARG1051          HD1       ARG1051  -1.719 -28.947  -5.246
 1081   2HD   ARG1051          HD2       ARG1051  -0.616 -30.320  -5.197
 1082    HE   ARG1051           HE       ARG1051  -3.169 -30.651  -6.596
 1083   1HH1  ARG1051          2HH1      ARG1051   0.311 -30.326  -6.725
 1084   2HH1  ARG1051          1HH1      ARG1051   0.420 -30.747  -8.406
 1085   1HH2  ARG1051          2HH2      ARG1051  -3.063 -31.178  -8.787
 1086   2HH2  ARG1051          1HH2      ARG1051  -1.517 -31.236  -9.590
 1087    HA   PRO1052           HA       PRO1052  -6.459 -27.214  -3.442
 1088   1HB   PRO1052          HB1       PRO1052  -6.300 -26.290  -6.167
 1089   2HB   PRO1052          HB2       PRO1052  -6.608 -25.347  -4.708
 1090   1HG   PRO1052          HG1       PRO1052  -4.331 -25.151  -6.240
 1091   2HG   PRO1052          HG2       PRO1052  -4.437 -24.689  -4.534
 1092   1HD   PRO1052          HD1       PRO1052  -3.311 -27.164  -5.765
 1093   2HD   PRO1052          HD2       PRO1052  -2.752 -26.250  -4.348
 1094    H    HIS1053           H        HIS1053  -5.735 -27.705  -6.835
 1095    HA   HIS1053           HA       HIS1053  -6.570 -30.507  -6.683
 1096   1HB   HIS1053          HB1       HIS1053  -7.691 -28.426  -8.567
 1097   2HB   HIS1053          HB2       HIS1053  -7.831 -30.156  -8.859
 1098    HD1  HIS1053           HD1      HIS1053  -9.977 -27.710  -7.953
 1099    HD2  HIS1053           HD2      HIS1053  -8.847 -31.197  -5.996
 1100    HE1  HIS1053           HE1      HIS1053 -11.844 -28.220  -6.343
 1101    HE2  HIS1053           HE2      HIS1053 -11.054 -30.235  -5.051
  Start of MODEL    9
    1   1H    ARG 920           H        ARG 920  -7.795 -20.044  -2.513
    2    HA   ARG 920           HA       ARG 920  -8.862 -19.654   0.110
    3   1HB   ARG 920          HB1       ARG 920  -6.456 -19.630  -0.349
    4   2HB   ARG 920          HB2       ARG 920  -6.654 -18.212  -1.364
    5   1HG   ARG 920          HG1       ARG 920  -5.867 -17.355   0.620
    6   2HG   ARG 920          HG2       ARG 920  -7.619 -17.101   0.745
    7   1HD   ARG 920          HD1       ARG 920  -7.346 -19.586   1.819
    8   2HD   ARG 920          HD2       ARG 920  -5.811 -18.853   2.276
    9    HE   ARG 920           HE       ARG 920  -8.437 -17.701   2.985
   10   1HH1  ARG 920          2HH1      ARG 920  -5.068 -18.342   3.717
   11   2HH1  ARG 920          1HH1      ARG 920  -5.197 -17.824   5.372
   12   1HH2  ARG 920          2HH2      ARG 920  -8.607 -17.033   5.173
   13   2HH2  ARG 920          1HH2      ARG 920  -7.205 -17.112   6.207
   14    H    SER 921           H        SER 921 -10.286 -18.155   0.782
   15    HA   SER 921           HA       SER 921 -11.128 -15.992  -0.854
   16   1HB   SER 921          HB1       SER 921 -12.481 -16.906   1.046
   17   2HB   SER 921          HB2       SER 921 -11.289 -16.249   2.166
   18    HG   SER 921           HG       SER 921 -12.375 -14.460   2.060
   19    H    ASN 922           H        ASN 922 -10.340 -13.880  -0.863
   20    HA   ASN 922           HA       ASN 922  -7.601 -13.657  -0.382
   21   1HB   ASN 922          HB1       ASN 922  -9.022 -11.165  -0.931
   22   2HB   ASN 922          HB2       ASN 922  -7.678 -11.905  -1.796
   23   1HD2  ASN 922          2HD2      ASN 922  -8.071 -13.517  -3.267
   24   2HD2  ASN 922          1HD2      ASN 922  -9.618 -13.725  -4.024
   25    H    ASP 923           H        ASP 923  -7.826 -14.106   1.859
   26    HA   ASP 923           HA       ASP 923  -9.156 -12.740   3.796
   27   1HB   ASP 923          HB1       ASP 923  -7.774 -14.901   3.892
   28   2HB   ASP 923          HB2       ASP 923  -6.384 -13.853   4.187
   29    H    LYS 924           H        LYS 924  -7.578 -11.770   5.668
   30    HA   LYS 924           HA       LYS 924  -7.491  -9.093   5.359
   31   1HB   LYS 924          HB1       LYS 924  -6.788 -10.842   7.335
   32   2HB   LYS 924          HB2       LYS 924  -5.238 -10.105   6.963
   33   1HG   LYS 924          HG1       LYS 924  -7.680  -8.456   7.539
   34   2HG   LYS 924          HG2       LYS 924  -6.626  -9.053   8.820
   35   1HD   LYS 924          HD1       LYS 924  -4.731  -7.903   7.800
   36   2HD   LYS 924          HD2       LYS 924  -5.775  -7.323   6.503
   37   1HE   LYS 924          HE1       LYS 924  -5.393  -5.589   8.167
   38   2HE   LYS 924          HE2       LYS 924  -7.094  -6.057   8.124
   39   1HZ   LYS 924          HZ1       LYS 924  -6.317  -5.805  10.383
   40   2HZ   LYS 924          HZ2       LYS 924  -6.714  -7.428  10.090
   41   3HZ   LYS 924          HZ3       LYS 924  -5.086  -6.945  10.125
   42    H    VAL 925           H        VAL 925  -5.229 -11.273   3.962
   43    HA   VAL 925           HA       VAL 925  -3.058  -9.596   3.453
   44    HB   VAL 925           HB       VAL 925  -2.715 -11.173   1.448
   45   1HG1  VAL 925          1HG1      VAL 925  -2.006 -13.013   2.913
   46   2HG1  VAL 925          2HG1      VAL 925  -1.568 -11.445   3.590
   47   3HG1  VAL 925          3HG1      VAL 925  -2.953 -12.327   4.232
   48   1HG2  VAL 925          1HG2      VAL 925  -4.959 -11.924   1.090
   49   2HG2  VAL 925          2HG2      VAL 925  -3.991 -13.300   1.611
   50   3HG2  VAL 925          3HG2      VAL 925  -5.081 -12.510   2.750
   51    H    TYR 926           H        TYR 926  -5.870 -10.400   1.237
   52    HA   TYR 926           HA       TYR 926  -4.901  -8.339  -0.616
   53   1HB   TYR 926          HB1       TYR 926  -5.941 -10.165  -1.683
   54   2HB   TYR 926          HB2       TYR 926  -7.262 -10.230  -0.524
   55    HD1  TYR 926           HD1      TYR 926  -5.905  -8.366  -3.416
   56    HD2  TYR 926           HD2      TYR 926  -9.245  -8.967  -0.841
   57    HE1  TYR 926           HE1      TYR 926  -7.315  -7.058  -4.950
   58    HE2  TYR 926           HE2      TYR 926 -10.660  -7.664  -2.369
   59    HH   TYR 926           HH       TYR 926 -10.352  -5.883  -4.089
   60    H    GLU 927           H        GLU 927  -7.179  -8.762   1.932
   61    HA   GLU 927           HA       GLU 927  -8.973  -6.695   1.433
   62   1HB   GLU 927          HB1       GLU 927  -8.118  -8.104   3.950
   63   2HB   GLU 927          HB2       GLU 927  -9.432  -6.944   3.915
   64   1HG   GLU 927          HG1       GLU 927  -9.300  -9.433   2.238
   65   2HG   GLU 927          HG2       GLU 927 -10.176  -9.292   3.756
   66    H    ASN 928           H        ASN 928  -6.221  -6.682   3.750
   67    HA   ASN 928           HA       ASN 928  -6.700  -3.924   4.329
   68   1HB   ASN 928          HB1       ASN 928  -5.692  -5.591   5.941
   69   2HB   ASN 928          HB2       ASN 928  -4.193  -5.433   5.030
   70   1HD2  ASN 928          2HD2      ASN 928  -3.075  -3.463   5.080
   71   2HD2  ASN 928          1HD2      ASN 928  -3.382  -2.272   6.290
   72    H    VAL 929           H        VAL 929  -4.433  -5.635   2.210
   73    HA   VAL 929           HA       VAL 929  -2.847  -3.391   1.627
   74    HB   VAL 929           HB       VAL 929  -2.208  -5.674   0.959
   75   1HG1  VAL 929          1HG1      VAL 929  -3.124  -6.654  -1.081
   76   2HG1  VAL 929          2HG1      VAL 929  -4.337  -6.501   0.191
   77   3HG1  VAL 929          3HG1      VAL 929  -4.319  -5.360  -1.154
   78   1HG2  VAL 929          1HG2      VAL 929  -1.282  -5.077  -1.249
   79   2HG2  VAL 929          2HG2      VAL 929  -2.328  -3.657  -1.273
   80   3HG2  VAL 929          3HG2      VAL 929  -1.071  -3.804  -0.045
   81    H    THR 930           H        THR 930  -5.907  -4.490   0.170
   82    HA   THR 930           HA       THR 930  -6.163  -2.327  -1.632
   83    HB   THR 930           HB       THR 930  -8.400  -3.807  -0.227
   84    HG1  THR 930           HG1      THR 930  -7.086  -5.305  -1.294
   85   1HG2  THR 930          1HG2      THR 930  -8.329  -2.329  -2.863
   86   2HG2  THR 930          2HG2      THR 930  -9.706  -3.226  -2.221
   87   3HG2  THR 930          3HG2      THR 930  -9.131  -1.780  -1.390
   88    H    GLY 931           H        GLY 931  -6.961  -2.771   1.745
   89   1HA   GLY 931          HA1       GLY 931  -8.203  -0.347   2.330
   90   2HA   GLY 931          HA2       GLY 931  -7.199  -1.244   3.461
   91    H    LEU 932           H        LEU 932  -4.785  -1.035   1.846
   92    HA   LEU 932           HA       LEU 932  -3.759   1.457   2.659
   93   1HB   LEU 932          HB1       LEU 932  -2.281  -0.390   2.306
   94   2HB   LEU 932          HB2       LEU 932  -2.816  -0.573   0.645
   95    HG   LEU 932           HG       LEU 932  -1.673   1.464  -0.003
   96   1HD1  LEU 932          1HD1      LEU 932  -0.304   2.724   1.571
   97   2HD1  LEU 932          2HD1      LEU 932  -2.004   2.758   2.037
   98   3HD1  LEU 932          3HD1      LEU 932  -0.876   1.708   2.894
   99   1HD2  LEU 932          1HD2      LEU 932  -0.390  -0.612   0.018
  100   2HD2  LEU 932          2HD2      LEU 932   0.631   0.774   0.401
  101   3HD2  LEU 932          3HD2      LEU 932   0.089  -0.305   1.687
  102    H    VAL 933           H        VAL 933  -4.970   0.294  -0.457
  103    HA   VAL 933           HA       VAL 933  -4.652   2.684  -1.902
  104    HB   VAL 933           HB       VAL 933  -6.847   0.634  -2.254
  105   1HG1  VAL 933          1HG1      VAL 933  -6.878   1.415  -4.586
  106   2HG1  VAL 933          2HG1      VAL 933  -7.310   2.690  -3.447
  107   3HG1  VAL 933          3HG1      VAL 933  -5.702   2.662  -4.168
  108   1HG2  VAL 933          1HG2      VAL 933  -4.663  -0.435  -2.308
  109   2HG2  VAL 933          2HG2      VAL 933  -5.373  -0.398  -3.922
  110   3HG2  VAL 933          3HG2      VAL 933  -4.099   0.743  -3.493
  111    H    LYS 934           H        LYS 934  -7.321   1.471   0.052
  112    HA   LYS 934           HA       LYS 934  -9.163   3.505  -0.272
  113   1HB   LYS 934          HB1       LYS 934  -8.613   2.071   2.329
  114   2HB   LYS 934          HB2       LYS 934 -10.112   2.848   1.856
  115   1HG   LYS 934          HG1       LYS 934  -8.923   0.412   0.551
  116   2HG   LYS 934          HG2       LYS 934 -10.235   0.409   1.728
  117   1HD   LYS 934          HD1       LYS 934 -11.460   0.327  -0.193
  118   2HD   LYS 934          HD2       LYS 934 -11.316   2.077  -0.022
  119   1HE   LYS 934          HE1       LYS 934  -9.324   1.988  -1.517
  120   2HE   LYS 934          HE2       LYS 934  -9.653   0.274  -1.774
  121   1HZ   LYS 934          HZ1       LYS 934 -11.394   2.567  -2.503
  122   2HZ   LYS 934          HZ2       LYS 934 -10.626   1.481  -3.559
  123   3HZ   LYS 934          HZ3       LYS 934 -11.899   0.947  -2.572
  124    H    ALA 935           H        ALA 935  -6.399   3.312   1.903
  125    HA   ALA 935           HA       ALA 935  -7.015   5.730   3.283
  126   1HB   ALA 935          HB1       ALA 935  -4.431   4.200   3.165
  127   2HB   ALA 935          HB2       ALA 935  -4.849   5.456   4.330
  128   3HB   ALA 935          HB3       ALA 935  -5.740   3.933   4.316
  129    H    VAL 936           H        VAL 936  -4.984   4.933   0.487
  130    HA   VAL 936           HA       VAL 936  -3.978   7.614   0.372
  131    HB   VAL 936           HB       VAL 936  -2.661   5.762  -0.568
  132   1HG1  VAL 936          1HG1      VAL 936  -3.237   4.824  -2.749
  133   2HG1  VAL 936          2HG1      VAL 936  -4.468   4.449  -1.543
  134   3HG1  VAL 936          3HG1      VAL 936  -4.759   5.714  -2.734
  135   1HG2  VAL 936          1HG2      VAL 936  -1.959   6.906  -2.618
  136   2HG2  VAL 936          2HG2      VAL 936  -3.420   7.892  -2.561
  137   3HG2  VAL 936          3HG2      VAL 936  -2.211   8.034  -1.284
  138    H    ILE 937           H        ILE 937  -6.824   6.010  -0.627
  139    HA   ILE 937           HA       ILE 937  -7.801   8.136  -2.255
  140    HB   ILE 937           HB       ILE 937  -9.310   6.079  -0.635
  141   1HG1  ILE 937          1HG1      ILE 937  -8.007   5.119  -2.465
  142   2HG1  ILE 937          2HG1      ILE 937  -9.729   5.025  -2.818
  143   1HG2  ILE 937          1HG2      ILE 937 -10.709   8.027  -0.938
  144   2HG2  ILE 937          2HG2      ILE 937 -10.350   8.050  -2.664
  145   3HG2  ILE 937          3HG2      ILE 937 -11.276   6.717  -1.974
  146   1HD1  ILE 937          1HD1      ILE 937  -8.475   5.645  -4.789
  147   2HD1  ILE 937          2HD1      ILE 937  -9.517   6.975  -4.286
  148   3HD1  ILE 937          3HD1      ILE 937  -7.787   7.030  -3.944
  149    H    GLU 938           H        GLU 938  -8.058   7.298   1.184
  150    HA   GLU 938           HA       GLU 938  -9.410   9.506   2.159
  151   1HB   GLU 938          HB1       GLU 938  -7.073   8.067   3.440
  152   2HB   GLU 938          HB2       GLU 938  -8.137   9.194   4.276
  153   1HG   GLU 938          HG1       GLU 938 -10.055   7.719   3.740
  154   2HG   GLU 938          HG2       GLU 938  -8.925   6.567   3.035
  155    H    MET 939           H        MET 939  -6.027   9.215   1.268
  156    HA   MET 939           HA       MET 939  -5.094  11.690   2.177
  157   1HB   MET 939          HB1       MET 939  -3.619   9.934   1.268
  158   2HB   MET 939          HB2       MET 939  -4.299  10.191  -0.333
  159   1HG   MET 939          HG1       MET 939  -3.486  12.593  -0.111
  160   2HG   MET 939          HG2       MET 939  -2.543  12.021   1.264
  161   1HE   MET 939          HE1       MET 939  -3.474  10.308  -2.136
  162   2HE   MET 939          HE2       MET 939  -3.039  11.951  -2.605
  163   3HE   MET 939          HE3       MET 939  -2.014  10.600  -3.085
  164    H    SER 940           H        SER 940  -6.605  10.765  -0.877
  165    HA   SER 940           HA       SER 940  -6.561  13.386  -1.989
  166   1HB   SER 940          HB1       SER 940  -6.687  11.274  -3.333
  167   2HB   SER 940          HB2       SER 940  -8.340  11.064  -2.753
  168    HG   SER 940           HG       SER 940  -7.304  13.139  -4.391
  169    H    SER 941           H        SER 941  -8.781  11.627   0.070
  170    HA   SER 941           HA       SER 941 -11.048  13.267  -0.669
  171   1HB   SER 941          HB1       SER 941 -10.757  11.302   1.621
  172   2HB   SER 941          HB2       SER 941 -12.268  11.976   1.013
  173    HG   SER 941           HG       SER 941 -10.463  10.356  -0.474
  174    H    LYS 942           H        LYS 942  -8.898  12.904   2.091
  175    HA   LYS 942           HA       LYS 942 -10.270  14.943   3.559
  176   1HB   LYS 942          HB1       LYS 942  -9.066  14.266   5.381
  177   2HB   LYS 942          HB2       LYS 942  -9.022  12.803   4.420
  178   1HG   LYS 942          HG1       LYS 942  -6.858  12.919   5.068
  179   2HG   LYS 942          HG2       LYS 942  -6.764  13.845   3.564
  180   1HD   LYS 942          HD1       LYS 942  -5.603  14.969   5.423
  181   2HD   LYS 942          HD2       LYS 942  -6.952  15.920   4.792
  182   1HE   LYS 942          HE1       LYS 942  -6.819  15.892   7.279
  183   2HE   LYS 942          HE2       LYS 942  -8.345  15.292   6.633
  184   1HZ   LYS 942          HZ1       LYS 942  -7.350  13.956   8.479
  185   2HZ   LYS 942          HZ2       LYS 942  -7.718  13.074   7.078
  186   3HZ   LYS 942          HZ3       LYS 942  -6.118  13.509   7.414
  187    H    ILE 943           H        ILE 943  -7.701  14.898   1.243
  188    HA   ILE 943           HA       ILE 943  -6.675  17.480   2.021
  189    HB   ILE 943           HB       ILE 943  -5.289  15.903   0.653
  190   1HG1  ILE 943          1HG1      ILE 943  -5.854  18.646  -0.489
  191   2HG1  ILE 943          2HG1      ILE 943  -4.675  18.241   0.752
  192   1HG2  ILE 943          1HG2      ILE 943  -5.676  15.793  -1.768
  193   2HG2  ILE 943          2HG2      ILE 943  -7.004  15.074  -0.859
  194   3HG2  ILE 943          3HG2      ILE 943  -7.185  16.683  -1.561
  195   1HD1  ILE 943          1HD1      ILE 943  -3.598  18.641  -1.375
  196   2HD1  ILE 943          2HD1      ILE 943  -3.400  16.957  -0.892
  197   3HD1  ILE 943          3HD1      ILE 943  -4.579  17.386  -2.132
  198    H    GLN 944           H        GLN 944  -9.292  16.268   0.099
  199    HA   GLN 944           HA       GLN 944  -9.842  18.390  -1.567
  200   1HB   GLN 944          HB1       GLN 944 -11.769  16.588  -0.102
  201   2HB   GLN 944          HB2       GLN 944 -12.274  17.744  -1.324
  202   1HG   GLN 944          HG1       GLN 944 -10.535  15.325  -1.670
  203   2HG   GLN 944          HG2       GLN 944 -12.133  15.611  -2.338
  204   1HE2  GLN 944          2HE2      GLN 944  -8.786  16.144  -2.654
  205   2HE2  GLN 944          1HE2      GLN 944  -8.811  16.923  -4.201
  206    HA   PRO 945           HA       PRO 945 -11.733  20.932   1.859
  207   1HB   PRO 945          HB1       PRO 945 -12.756  19.867   4.075
  208   2HB   PRO 945          HB2       PRO 945 -13.532  19.626   2.506
  209   1HG   PRO 945          HG1       PRO 945 -12.036  17.707   4.169
  210   2HG   PRO 945          HG2       PRO 945 -13.230  17.401   2.899
  211   1HD   PRO 945          HD1       PRO 945 -10.330  17.398   2.711
  212   2HD   PRO 945          HD2       PRO 945 -11.524  16.908   1.491
  213    H    ALA 946           H        ALA 946  -8.837  20.120   2.161
  214    HA   ALA 946           HA       ALA 946  -8.474  21.137   4.895
  215   1HB   ALA 946          HB1       ALA 946  -6.989  18.758   3.809
  216   2HB   ALA 946          HB2       ALA 946  -6.762  19.502   5.392
  217   3HB   ALA 946          HB3       ALA 946  -8.287  18.705   5.002
  218    HA   PRO 947           HA       PRO 947  -5.068  23.417   3.104
  219   1HB   PRO 947          HB1       PRO 947  -4.039  24.430   5.332
  220   2HB   PRO 947          HB2       PRO 947  -5.693  24.836   4.859
  221   1HG   PRO 947          HG1       PRO 947  -4.730  22.906   6.927
  222   2HG   PRO 947          HG2       PRO 947  -6.107  24.021   6.985
  223   1HD   PRO 947          HD1       PRO 947  -6.228  21.303   6.350
  224   2HD   PRO 947          HD2       PRO 947  -7.492  22.503   6.026
  225    HA   PRO 948           HA       PRO 948  -1.045  21.424   3.232
  226   1HB   PRO 948          HB1       PRO 948   0.077  23.597   4.936
  227   2HB   PRO 948          HB2       PRO 948   0.700  22.915   3.429
  228   1HG   PRO 948          HG1       PRO 948  -0.508  25.281   3.435
  229   2HG   PRO 948          HG2       PRO 948  -0.781  24.130   2.114
  230   1HD   PRO 948          HD1       PRO 948  -2.557  24.857   4.395
  231   2HD   PRO 948          HD2       PRO 948  -2.979  24.439   2.724
  232    H    GLU 949           H        GLU 949  -2.111  22.718   6.300
  233    HA   GLU 949           HA       GLU 949  -0.528  21.309   8.070
  234   1HB   GLU 949          HB1       GLU 949  -3.428  22.111   8.315
  235   2HB   GLU 949          HB2       GLU 949  -2.442  21.540   9.656
  236   1HG   GLU 949          HG1       GLU 949  -0.935  23.428   9.360
  237   2HG   GLU 949          HG2       GLU 949  -1.912  24.001   8.007
  238    H    GLU 950           H        GLU 950  -3.401  20.267   6.294
  239    HA   GLU 950           HA       GLU 950  -3.150  17.639   7.538
  240   1HB   GLU 950          HB1       GLU 950  -5.351  18.949   6.003
  241   2HB   GLU 950          HB2       GLU 950  -5.252  17.190   6.071
  242   1HG   GLU 950          HG1       GLU 950  -6.750  17.975   7.769
  243   2HG   GLU 950          HG2       GLU 950  -5.307  17.306   8.523
  244    H    TYR 951           H        TYR 951  -1.854  19.154   4.904
  245    HA   TYR 951           HA       TYR 951  -2.026  17.155   2.921
  246   1HB   TYR 951          HB1       TYR 951   0.197  19.104   3.539
  247   2HB   TYR 951          HB2       TYR 951   0.247  17.998   2.175
  248    HD1  TYR 951           HD1      TYR 951  -3.076  18.708   2.306
  249    HD2  TYR 951           HD2      TYR 951   0.611  20.653   1.482
  250    HE1  TYR 951           HE1      TYR 951  -4.264  20.369   0.941
  251    HE2  TYR 951           HE2      TYR 951  -0.560  22.323   0.121
  252    HH   TYR 951           HH       TYR 951  -2.602  22.630  -1.067
  253    H    VAL 952           H        VAL 952   0.137  17.619   5.668
  254    HA   VAL 952           HA       VAL 952   1.471  15.145   5.104
  255    HB   VAL 952           HB       VAL 952   2.984  16.394   6.199
  256   1HG1  VAL 952          1HG1      VAL 952   0.801  17.506   7.957
  257   2HG1  VAL 952          2HG1      VAL 952   2.512  17.891   8.132
  258   3HG1  VAL 952          3HG1      VAL 952   1.658  18.329   6.654
  259   1HG2  VAL 952          1HG2      VAL 952   2.837  14.333   7.465
  260   2HG2  VAL 952          2HG2      VAL 952   3.279  15.672   8.526
  261   3HG2  VAL 952          3HG2      VAL 952   1.630  15.047   8.535
  262    HA   PRO 953           HA       PRO 953  -1.434  13.439   8.799
  263   1HB   PRO 953          HB1       PRO 953  -3.646  15.269   7.994
  264   2HB   PRO 953          HB2       PRO 953  -3.350  14.489   9.557
  265   1HG   PRO 953          HG1       PRO 953  -2.705  17.019   9.254
  266   2HG   PRO 953          HG2       PRO 953  -1.575  15.921  10.071
  267   1HD   PRO 953          HD1       PRO 953  -1.466  17.031   7.301
  268   2HD   PRO 953          HD2       PRO 953  -0.146  16.719   8.444
  269    H    MET 954           H        MET 954  -2.611  14.638   5.630
  270    HA   MET 954           HA       MET 954  -4.490  12.531   5.293
  271   1HB   MET 954          HB1       MET 954  -4.681  13.211   3.003
  272   2HB   MET 954          HB2       MET 954  -4.559  14.654   3.994
  273   1HG   MET 954          HG1       MET 954  -2.204  14.853   3.394
  274   2HG   MET 954          HG2       MET 954  -2.349  13.417   2.384
  275   1HE   MET 954          HE1       MET 954  -2.004  16.241  -0.249
  276   2HE   MET 954          HE2       MET 954  -1.220  16.191   1.331
  277   3HE   MET 954          HE3       MET 954  -1.363  14.719   0.370
  278    H    VAL 955           H        VAL 955  -1.178  12.997   4.010
  279    HA   VAL 955           HA       VAL 955  -0.974  10.417   2.961
  280    HB   VAL 955           HB       VAL 955   1.234  12.226   3.955
  281   1HG1  VAL 955          1HG1      VAL 955   2.751  10.816   2.668
  282   2HG1  VAL 955          2HG1      VAL 955   1.966   9.891   3.949
  283   3HG1  VAL 955          3HG1      VAL 955   1.420   9.723   2.281
  284   1HG2  VAL 955          1HG2      VAL 955   0.173  11.641   1.191
  285   2HG2  VAL 955          2HG2      VAL 955  -0.077  13.127   2.107
  286   3HG2  VAL 955          3HG2      VAL 955   1.543  12.686   1.571
  287    H    LYS 956           H        LYS 956  -0.718  11.587   6.216
  288    HA   LYS 956           HA       LYS 956   0.545   9.366   7.412
  289   1HB   LYS 956          HB1       LYS 956   0.007  11.497   8.595
  290   2HB   LYS 956          HB2       LYS 956  -1.691  11.041   8.578
  291   1HG   LYS 956          HG1       LYS 956  -0.971   8.944   9.830
  292   2HG   LYS 956          HG2       LYS 956   0.568   9.764  10.084
  293   1HD   LYS 956          HD1       LYS 956  -0.611  10.306  12.008
  294   2HD   LYS 956          HD2       LYS 956  -0.897  11.710  10.978
  295   1HE   LYS 956          HE1       LYS 956  -2.785   9.370  11.199
  296   2HE   LYS 956          HE2       LYS 956  -2.926  10.836  12.163
  297   1HZ   LYS 956          HZ1       LYS 956  -3.695  12.018  10.422
  298   2HZ   LYS 956          HZ2       LYS 956  -2.749  11.198   9.282
  299   3HZ   LYS 956          HZ3       LYS 956  -4.178  10.493   9.855
  300    H    GLU 957           H        GLU 957  -2.784   9.999   6.510
  301    HA   GLU 957           HA       GLU 957  -4.050   7.727   7.440
  302   1HB   GLU 957          HB1       GLU 957  -4.590   9.003   4.737
  303   2HB   GLU 957          HB2       GLU 957  -5.715   8.051   5.697
  304   1HG   GLU 957          HG1       GLU 957  -4.583  10.740   6.440
  305   2HG   GLU 957          HG2       GLU 957  -6.212  10.417   5.851
  306    H    VAL 958           H        VAL 958  -2.316   8.153   4.357
  307    HA   VAL 958           HA       VAL 958  -2.540   5.450   3.526
  308    HB   VAL 958           HB       VAL 958  -0.215   7.148   2.706
  309   1HG1  VAL 958          1HG1      VAL 958  -0.423   4.928   1.762
  310   2HG1  VAL 958          2HG1      VAL 958  -2.055   5.295   1.205
  311   3HG1  VAL 958          3HG1      VAL 958  -0.676   6.154   0.520
  312   1HG2  VAL 958          1HG2      VAL 958  -1.767   8.220   1.016
  313   2HG2  VAL 958          2HG2      VAL 958  -3.094   7.656   2.034
  314   3HG2  VAL 958          3HG2      VAL 958  -1.914   8.783   2.681
  315    H    GLY 959           H        GLY 959  -0.135   7.164   5.477
  316   1HA   GLY 959          HA1       GLY 959   1.861   5.145   5.313
  317   2HA   GLY 959          HA2       GLY 959   1.798   6.433   6.506
  318    H    LEU 960           H        LEU 960  -0.456   5.920   7.904
  319    HA   LEU 960           HA       LEU 960   0.030   3.676   9.478
  320   1HB   LEU 960          HB1       LEU 960  -2.601   5.091   9.022
  321   2HB   LEU 960          HB2       LEU 960  -2.271   3.977  10.335
  322    HG   LEU 960           HG       LEU 960  -0.918   6.642   9.903
  323   1HD1  LEU 960          1HD1      LEU 960  -2.125   7.339  11.892
  324   2HD1  LEU 960          2HD1      LEU 960  -3.245   6.833  10.626
  325   3HD1  LEU 960          3HD1      LEU 960  -2.910   5.761  11.985
  326   1HD2  LEU 960          1HD2      LEU 960  -0.622   4.614  12.117
  327   2HD2  LEU 960          2HD2      LEU 960   0.602   5.059  10.927
  328   3HD2  LEU 960          3HD2      LEU 960   0.064   6.239  12.122
  329    H    ALA 961           H        ALA 961  -1.870   4.041   6.592
  330    HA   ALA 961           HA       ALA 961  -3.138   1.535   6.594
  331   1HB   ALA 961          HB1       ALA 961  -3.809   3.311   5.086
  332   2HB   ALA 961          HB2       ALA 961  -2.280   3.167   4.218
  333   3HB   ALA 961          HB3       ALA 961  -3.437   1.836   4.198
  334    H    LEU 962           H        LEU 962  -0.116   2.469   4.835
  335    HA   LEU 962           HA       LEU 962   0.447  -0.182   4.086
  336   1HB   LEU 962          HB1       LEU 962   1.402   1.589   2.826
  337   2HB   LEU 962          HB2       LEU 962   2.149   2.302   4.247
  338    HG   LEU 962           HG       LEU 962   3.666   1.155   2.560
  339   1HD1  LEU 962          1HD1      LEU 962   5.136   0.205   4.260
  340   2HD1  LEU 962          2HD1      LEU 962   4.452   1.746   4.778
  341   3HD1  LEU 962          3HD1      LEU 962   3.813   0.235   5.426
  342   1HD2  LEU 962          1HD2      LEU 962   2.321  -0.806   2.130
  343   2HD2  LEU 962          2HD2      LEU 962   3.898  -1.273   2.768
  344   3HD2  LEU 962          3HD2      LEU 962   2.478  -1.312   3.812
  345    H    ARG 963           H        ARG 963   1.443   1.677   6.993
  346    HA   ARG 963           HA       ARG 963   3.007  -0.265   8.186
  347   1HB   ARG 963          HB1       ARG 963   2.707   1.935   9.183
  348   2HB   ARG 963          HB2       ARG 963   1.010   1.595   9.492
  349   1HG   ARG 963          HG1       ARG 963   2.321   1.375  11.523
  350   2HG   ARG 963          HG2       ARG 963   1.644  -0.183  11.045
  351   1HD   ARG 963          HD1       ARG 963   3.875  -0.593   9.873
  352   2HD   ARG 963          HD2       ARG 963   4.476   0.786  10.788
  353    HE   ARG 963           HE       ARG 963   3.340  -0.869  12.654
  354   1HH1  ARG 963          2HH1      ARG 963   5.899  -1.088  10.283
  355   2HH1  ARG 963          1HH1      ARG 963   6.764  -2.334  11.135
  356   1HH2  ARG 963          2HH2      ARG 963   4.459  -2.503  13.787
  357   2HH2  ARG 963          1HH2      ARG 963   5.929  -3.162  13.122
  358    H    THR 964           H        THR 964  -0.492   0.155   8.736
  359    HA   THR 964           HA       THR 964  -0.974  -2.255  10.024
  360    HB   THR 964           HB       THR 964  -2.886  -0.916   8.097
  361    HG1  THR 964           HG1      THR 964  -2.364   0.653   9.541
  362   1HG2  THR 964          1HG2      THR 964  -3.370  -2.668  10.512
  363   2HG2  THR 964          2HG2      THR 964  -4.618  -1.879   9.548
  364   3HG2  THR 964          3HG2      THR 964  -3.612  -3.136   8.829
  365    H    LEU 965           H        LEU 965  -0.560  -1.601   6.632
  366    HA   LEU 965           HA       LEU 965  -1.393  -4.095   5.616
  367   1HB   LEU 965          HB1       LEU 965  -1.164  -2.138   4.208
  368   2HB   LEU 965          HB2       LEU 965   0.546  -2.042   4.558
  369    HG   LEU 965           HG       LEU 965  -0.192  -2.943   2.274
  370   1HD1  LEU 965          1HD1      LEU 965   2.096  -3.032   3.059
  371   2HD1  LEU 965          2HD1      LEU 965   1.748  -4.501   3.969
  372   3HD1  LEU 965          3HD1      LEU 965   1.678  -4.518   2.207
  373   1HD2  LEU 965          1HD2      LEU 965  -0.628  -5.348   2.201
  374   2HD2  LEU 965          2HD2      LEU 965  -0.681  -5.391   3.963
  375   3HD2  LEU 965          3HD2      LEU 965  -1.897  -4.481   3.066
  376    H    LEU 966           H        LEU 966   1.719  -2.877   6.709
  377    HA   LEU 966           HA       LEU 966   3.331  -5.070   6.193
  378   1HB   LEU 966          HB1       LEU 966   4.031  -2.836   7.118
  379   2HB   LEU 966          HB2       LEU 966   3.496  -3.386   8.691
  380    HG   LEU 966           HG       LEU 966   5.533  -5.007   7.217
  381   1HD1  LEU 966          1HD1      LEU 966   6.104  -2.479   8.762
  382   2HD1  LEU 966          2HD1      LEU 966   7.314  -3.641   8.220
  383   3HD1  LEU 966          3HD1      LEU 966   6.369  -2.736   7.038
  384   1HD2  LEU 966          1HD2      LEU 966   4.595  -5.852   9.316
  385   2HD2  LEU 966          2HD2      LEU 966   6.310  -5.473   9.487
  386   3HD2  LEU 966          3HD2      LEU 966   5.095  -4.374  10.137
  387    H    ALA 967           H        ALA 967   1.010  -4.647   8.824
  388    HA   ALA 967           HA       ALA 967   1.663  -7.043  10.207
  389   1HB   ALA 967          HB1       ALA 967  -0.496  -6.799  11.297
  390   2HB   ALA 967          HB2       ALA 967   0.334  -5.244  11.221
  391   3HB   ALA 967          HB3       ALA 967  -0.983  -5.596  10.103
  392    H    THR 968           H        THR 968  -0.748  -6.274   7.736
  393    HA   THR 968           HA       THR 968  -1.759  -8.814   7.246
  394    HB   THR 968           HB       THR 968  -1.384  -6.356   5.591
  395    HG1  THR 968           HG1      THR 968  -3.802  -7.702   5.749
  396   1HG2  THR 968          1HG2      THR 968  -2.399  -8.969   4.493
  397   2HG2  THR 968          2HG2      THR 968  -2.521  -7.400   3.693
  398   3HG2  THR 968          3HG2      THR 968  -0.938  -8.121   3.989
  399    H    VAL 969           H        VAL 969   1.139  -7.267   5.897
  400    HA   VAL 969           HA       VAL 969   2.132  -9.292   4.339
  401    HB   VAL 969           HB       VAL 969   3.704  -7.428   6.129
  402   1HG1  VAL 969          1HG1      VAL 969   4.678  -9.113   3.817
  403   2HG1  VAL 969          2HG1      VAL 969   5.627  -7.910   4.693
  404   3HG1  VAL 969          3HG1      VAL 969   5.070  -9.365   5.519
  405   1HG2  VAL 969          1HG2      VAL 969   3.030  -7.291   3.191
  406   2HG2  VAL 969          2HG2      VAL 969   2.311  -6.308   4.467
  407   3HG2  VAL 969          3HG2      VAL 969   4.024  -6.137   4.080
  408    H    ASP 970           H        ASP 970   2.117  -9.158   7.861
  409    HA   ASP 970           HA       ASP 970   3.925 -11.324   8.248
  410   1HB   ASP 970          HB1       ASP 970   3.486  -9.786  10.078
  411   2HB   ASP 970          HB2       ASP 970   1.776 -10.208  10.064
  412    H    GLU 971           H        GLU 971   0.476 -11.143   7.789
  413    HA   GLU 971           HA       GLU 971  -0.142 -13.876   8.162
  414   1HB   GLU 971          HB1       GLU 971  -1.302 -12.126   5.980
  415   2HB   GLU 971          HB2       GLU 971  -2.064 -13.508   6.755
  416   1HG   GLU 971          HG1       GLU 971  -1.335 -11.002   8.238
  417   2HG   GLU 971          HG2       GLU 971  -2.892 -11.225   7.436
  418    H    SER 972           H        SER 972   0.764 -12.106   5.255
  419    HA   SER 972           HA       SER 972   1.100 -14.342   3.600
  420   1HB   SER 972          HB1       SER 972   0.659 -12.286   2.562
  421   2HB   SER 972          HB2       SER 972   2.001 -11.471   3.354
  422    HG   SER 972           HG       SER 972   3.196 -13.337   2.127
  423    H    LEU 973           H        LEU 973   3.196 -13.006   6.005
  424    HA   LEU 973           HA       LEU 973   5.675 -13.722   4.908
  425   1HB   LEU 973          HB1       LEU 973   5.212 -12.265   6.947
  426   2HB   LEU 973          HB2       LEU 973   5.046 -13.747   7.863
  427    HG   LEU 973           HG       LEU 973   7.562 -13.135   6.326
  428   1HD1  LEU 973          1HD1      LEU 973   6.924 -12.357   9.168
  429   2HD1  LEU 973          2HD1      LEU 973   8.494 -12.208   8.377
  430   3HD1  LEU 973          3HD1      LEU 973   7.127 -11.248   7.812
  431   1HD2  LEU 973          1HD2      LEU 973   7.229 -15.438   7.122
  432   2HD2  LEU 973          2HD2      LEU 973   8.571 -14.643   7.944
  433   3HD2  LEU 973          3HD2      LEU 973   7.022 -14.831   8.766
  434    HA   PRO 974           HA       PRO 974   5.316 -18.144   6.933
  435   1HB   PRO 974          HB1       PRO 974   2.658 -18.888   7.325
  436   2HB   PRO 974          HB2       PRO 974   3.825 -18.526   8.602
  437   1HG   PRO 974          HG1       PRO 974   1.709 -16.798   7.417
  438   2HG   PRO 974          HG2       PRO 974   2.284 -16.888   9.091
  439   1HD   PRO 974          HD1       PRO 974   2.991 -14.876   7.470
  440   2HD   PRO 974          HD2       PRO 974   4.118 -15.544   8.669
  441    H    VAL 975           H        VAL 975   2.949 -16.519   4.946
  442    HA   VAL 975           HA       VAL 975   2.588 -18.737   3.138
  443    HB   VAL 975           HB       VAL 975   2.138 -15.792   2.643
  444   1HG1  VAL 975          1HG1      VAL 975   2.315 -17.063   0.572
  445   2HG1  VAL 975          2HG1      VAL 975   1.103 -18.202   1.160
  446   3HG1  VAL 975          3HG1      VAL 975   0.656 -16.525   0.845
  447   1HG2  VAL 975          1HG2      VAL 975  -0.209 -16.269   3.140
  448   2HG2  VAL 975          2HG2      VAL 975   0.214 -17.935   3.535
  449   3HG2  VAL 975          3HG2      VAL 975   0.827 -16.611   4.526
  450    H    LEU 976           H        LEU 976   5.165 -16.507   3.625
  451    HA   LEU 976           HA       LEU 976   6.083 -16.560   0.924
  452   1HB   LEU 976          HB1       LEU 976   7.860 -15.195   1.506
  453   2HB   LEU 976          HB2       LEU 976   6.563 -14.695   2.558
  454    HG   LEU 976           HG       LEU 976   7.739 -16.214   4.319
  455   1HD1  LEU 976          1HD1      LEU 976   9.344 -17.243   2.786
  456   2HD1  LEU 976          2HD1      LEU 976  10.027 -15.655   2.436
  457   3HD1  LEU 976          3HD1      LEU 976  10.157 -16.333   4.059
  458   1HD2  LEU 976          1HD2      LEU 976   7.518 -13.807   4.485
  459   2HD2  LEU 976          2HD2      LEU 976   9.129 -14.311   4.993
  460   3HD2  LEU 976          3HD2      LEU 976   8.891 -13.587   3.403
  461    HA   PRO 977           HA       PRO 977   9.083 -20.035   2.421
  462   1HB   PRO 977          HB1       PRO 977   7.471 -21.323   4.532
  463   2HB   PRO 977          HB2       PRO 977   9.211 -21.016   4.478
  464   1HG   PRO 977          HG1       PRO 977   7.596 -19.623   6.099
  465   2HG   PRO 977          HG2       PRO 977   8.993 -18.871   5.305
  466   1HD   PRO 977          HD1       PRO 977   6.092 -18.729   4.573
  467   2HD   PRO 977          HD2       PRO 977   7.315 -17.442   4.584
  468    H    ALA 978           H        ALA 978   5.583 -20.122   2.709
  469    HA   ALA 978           HA       ALA 978   5.173 -22.590   1.414
  470   1HB   ALA 978          HB1       ALA 978   3.386 -20.158   1.415
  471   2HB   ALA 978          HB2       ALA 978   2.907 -21.798   0.981
  472   3HB   ALA 978          HB3       ALA 978   3.398 -21.433   2.635
  473    H    SER 979           H        SER 979   4.976 -19.276   0.018
  474    HA   SER 979           HA       SER 979   6.244 -20.084  -2.415
  475   1HB   SER 979          HB1       SER 979   3.240 -19.815  -2.367
  476   2HB   SER 979          HB2       SER 979   4.176 -19.623  -3.853
  477    HG   SER 979           HG       SER 979   4.688 -21.892  -2.321
  478    H    THR 980           H        THR 980   4.407 -17.644  -0.656
  479    HA   THR 980           HA       THR 980   4.257 -15.759  -2.738
  480    HB   THR 980           HB       THR 980   2.863 -15.827  -0.580
  481    HG1  THR 980           HG1      THR 980   2.909 -13.320  -0.760
  482   1HG2  THR 980          1HG2      THR 980   3.604 -14.244   1.137
  483   2HG2  THR 980          2HG2      THR 980   4.712 -15.611   1.005
  484   3HG2  THR 980          3HG2      THR 980   5.143 -14.054   0.297
  485    H    HIS 981           H        HIS 981   6.970 -16.531  -0.842
  486    HA   HIS 981           HA       HIS 981   8.202 -14.169  -0.276
  487   1HB   HIS 981          HB1       HIS 981   9.076 -16.394   0.333
  488   2HB   HIS 981          HB2       HIS 981   9.586 -16.638  -1.332
  489    HD1  HIS 981           HD1      HIS 981  10.302 -14.288   1.571
  490    HD2  HIS 981           HD2      HIS 981  12.124 -15.783  -1.852
  491    HE1  HIS 981           HE1      HIS 981  12.667 -13.451   1.650
  492    HE2  HIS 981           HE2      HIS 981  13.764 -14.369  -0.425
  493    H    ARG 982           H        ARG 982   7.687 -15.389  -3.502
  494    HA   ARG 982           HA       ARG 982   9.755 -13.831  -4.728
  495   1HB   ARG 982          HB1       ARG 982   8.753 -15.757  -5.875
  496   2HB   ARG 982          HB2       ARG 982   7.203 -14.928  -5.924
  497   1HG   ARG 982          HG1       ARG 982   8.120 -13.226  -7.383
  498   2HG   ARG 982          HG2       ARG 982   9.717 -13.967  -7.276
  499   1HD   ARG 982          HD1       ARG 982   7.249 -15.255  -8.435
  500   2HD   ARG 982          HD2       ARG 982   8.580 -14.563  -9.362
  501    HE   ARG 982           HE       ARG 982   9.430 -16.583  -7.505
  502   1HH1  ARG 982          2HH1      ARG 982   8.156 -16.023 -10.736
  503   2HH1  ARG 982          1HH1      ARG 982   8.768 -17.530 -11.357
  504   1HH2  ARG 982          2HH2      ARG 982  10.190 -18.571  -8.332
  505   2HH2  ARG 982          1HH2      ARG 982   9.918 -18.960 -10.006
  506    H    GLU 983           H        GLU 983   6.205 -13.355  -4.535
  507    HA   GLU 983           HA       GLU 983   6.402 -10.683  -5.510
  508   1HB   GLU 983          HB1       GLU 983   4.238 -12.462  -4.842
  509   2HB   GLU 983          HB2       GLU 983   3.959 -10.870  -4.191
  510   1HG   GLU 983          HG1       GLU 983   3.012 -10.684  -6.234
  511   2HG   GLU 983          HG2       GLU 983   4.637 -10.047  -6.521
  512    H    ILE 984           H        ILE 984   5.993 -12.078  -2.284
  513    HA   ILE 984           HA       ILE 984   5.220  -9.684  -1.053
  514    HB   ILE 984           HB       ILE 984   5.011 -11.970  -0.040
  515   1HG1  ILE 984          1HG1      ILE 984   5.442 -11.189   2.287
  516   2HG1  ILE 984          2HG1      ILE 984   6.322  -9.810   1.635
  517   1HG2  ILE 984          1HG2      ILE 984   7.262 -12.781  -0.461
  518   2HG2  ILE 984          2HG2      ILE 984   7.931 -11.554   0.615
  519   3HG2  ILE 984          3HG2      ILE 984   6.903 -12.834   1.264
  520   1HD1  ILE 984          1HD1      ILE 984   4.291  -9.035   0.532
  521   2HD1  ILE 984          2HD1      ILE 984   3.411 -10.420   1.181
  522   3HD1  ILE 984          3HD1      ILE 984   4.064  -9.198   2.272
  523    H    GLU 985           H        GLU 985   8.342 -10.919  -1.946
  524    HA   GLU 985           HA       GLU 985   9.842  -8.923  -0.575
  525   1HB   GLU 985          HB1       GLU 985  10.518 -10.762  -2.860
  526   2HB   GLU 985          HB2       GLU 985  11.663  -9.603  -2.202
  527   1HG   GLU 985          HG1       GLU 985  10.330 -11.804  -0.642
  528   2HG   GLU 985          HG2       GLU 985  11.968 -11.857  -1.290
  529    H    MET 986           H        MET 986   8.426  -9.162  -3.845
  530    HA   MET 986           HA       MET 986   9.945  -7.020  -4.869
  531   1HB   MET 986          HB1       MET 986   8.523  -7.010  -6.806
  532   2HB   MET 986          HB2       MET 986   8.950  -8.652  -6.360
  533   1HG   MET 986          HG1       MET 986   6.754  -8.979  -5.392
  534   2HG   MET 986          HG2       MET 986   6.326  -7.310  -5.770
  535   1HE   MET 986          HE1       MET 986   8.485  -9.679  -8.055
  536   2HE   MET 986          HE2       MET 986   7.357 -10.793  -7.282
  537   3HE   MET 986          HE3       MET 986   7.233 -10.472  -9.011
  538    H    ALA 987           H        ALA 987   6.540  -7.009  -3.796
  539    HA   ALA 987           HA       ALA 987   6.368  -4.193  -4.243
  540   1HB   ALA 987          HB1       ALA 987   4.464  -5.677  -4.694
  541   2HB   ALA 987          HB2       ALA 987   4.351  -6.018  -2.967
  542   3HB   ALA 987          HB3       ALA 987   4.073  -4.381  -3.563
  543    H    GLN 988           H        GLN 988   6.560  -6.339  -1.376
  544    HA   GLN 988           HA       GLN 988   5.843  -4.387   0.485
  545   1HB   GLN 988          HB1       GLN 988   5.979  -6.656   1.229
  546   2HB   GLN 988          HB2       GLN 988   7.683  -6.761   0.806
  547   1HG   GLN 988          HG1       GLN 988   8.093  -4.965   2.535
  548   2HG   GLN 988          HG2       GLN 988   6.427  -5.214   3.054
  549   1HE2  GLN 988          2HE2      GLN 988   7.136  -5.869   5.100
  550   2HE2  GLN 988          1HE2      GLN 988   7.828  -7.430   5.360
  551    H    LYS 989           H        LYS 989   9.040  -5.193  -0.833
  552    HA   LYS 989           HA       LYS 989  10.471  -3.312   0.755
  553   1HB   LYS 989          HB1       LYS 989  11.515  -5.264  -0.416
  554   2HB   LYS 989          HB2       LYS 989  11.238  -4.444  -1.945
  555   1HG   LYS 989          HG1       LYS 989  12.701  -2.616  -1.227
  556   2HG   LYS 989          HG2       LYS 989  12.991  -3.457   0.298
  557   1HD   LYS 989          HD1       LYS 989  13.903  -5.371  -0.988
  558   2HD   LYS 989          HD2       LYS 989  13.708  -4.431  -2.468
  559   1HE   LYS 989          HE1       LYS 989  15.998  -4.297  -1.696
  560   2HE   LYS 989          HE2       LYS 989  15.222  -2.721  -1.555
  561   1HZ   LYS 989          HZ1       LYS 989  16.581  -3.378   0.401
  562   2HZ   LYS 989          HZ2       LYS 989  14.970  -3.017   0.776
  563   3HZ   LYS 989          HZ3       LYS 989  15.482  -4.633   0.700
  564    H    LEU 990           H        LEU 990   8.723  -3.203  -2.232
  565    HA   LEU 990           HA       LEU 990   9.664  -0.630  -3.068
  566   1HB   LEU 990          HB1       LEU 990   9.021  -2.102  -4.765
  567   2HB   LEU 990          HB2       LEU 990   7.583  -2.608  -3.919
  568    HG   LEU 990           HG       LEU 990   6.359  -0.727  -4.614
  569   1HD1  LEU 990          1HD1      LEU 990   8.069   1.009  -4.230
  570   2HD1  LEU 990          2HD1      LEU 990   8.965   0.445  -5.640
  571   3HD1  LEU 990          3HD1      LEU 990   7.365   1.159  -5.840
  572   1HD2  LEU 990          1HD2      LEU 990   6.677  -2.406  -6.332
  573   2HD2  LEU 990          2HD2      LEU 990   6.595  -0.798  -7.053
  574   3HD2  LEU 990          3HD2      LEU 990   8.152  -1.606  -6.878
  575    H    LEU 991           H        LEU 991   7.022  -1.892  -1.162
  576    HA   LEU 991           HA       LEU 991   5.413   0.410  -0.983
  577   1HB   LEU 991          HB1       LEU 991   5.846  -1.853   0.967
  578   2HB   LEU 991          HB2       LEU 991   4.596  -0.637   1.139
  579    HG   LEU 991           HG       LEU 991   4.771  -2.393  -1.291
  580   1HD1  LEU 991          1HD1      LEU 991   3.132  -3.859  -0.231
  581   2HD1  LEU 991          2HD1      LEU 991   4.641  -3.835   0.682
  582   3HD1  LEU 991          3HD1      LEU 991   3.245  -2.924   1.260
  583   1HD2  LEU 991          1HD2      LEU 991   2.500  -0.878   0.009
  584   2HD2  LEU 991          2HD2      LEU 991   3.370  -0.389  -1.445
  585   3HD2  LEU 991          3HD2      LEU 991   2.385  -1.853  -1.457
  586    H    ASN 992           H        ASN 992   7.977  -0.850   1.101
  587    HA   ASN 992           HA       ASN 992   7.850   1.107   3.090
  588   1HB   ASN 992          HB1       ASN 992   9.095  -1.015   3.312
  589   2HB   ASN 992          HB2       ASN 992  10.268  -0.447   2.129
  590   1HD2  ASN 992          2HD2      ASN 992   9.140  -0.214   5.385
  591   2HD2  ASN 992          1HD2      ASN 992  10.452   0.731   5.996
  592    H    SER 993           H        SER 993   9.600   1.007   0.041
  593    HA   SER 993           HA       SER 993  11.102   3.378   0.585
  594   1HB   SER 993          HB1       SER 993  10.688   1.930  -2.032
  595   2HB   SER 993          HB2       SER 993  11.943   3.118  -1.681
  596    HG   SER 993           HG       SER 993  12.194   0.588  -1.408
  597    H    ASP 994           H        ASP 994   8.069   2.697  -1.106
  598    HA   ASP 994           HA       ASP 994   8.152   5.412  -2.194
  599   1HB   ASP 994          HB1       ASP 994   6.780   2.933  -3.060
  600   2HB   ASP 994          HB2       ASP 994   6.015   4.478  -3.441
  601    H    LEU 995           H        LEU 995   6.043   3.410  -0.084
  602    HA   LEU 995           HA       LEU 995   4.309   5.495   0.633
  603   1HB   LEU 995          HB1       LEU 995   3.961   3.292   1.602
  604   2HB   LEU 995          HB2       LEU 995   5.533   3.326   2.371
  605    HG   LEU 995           HG       LEU 995   3.446   3.652   3.817
  606   1HD1  LEU 995          1HD1      LEU 995   4.565   5.211   5.309
  607   2HD1  LEU 995          2HD1      LEU 995   5.695   4.029   4.649
  608   3HD1  LEU 995          3HD1      LEU 995   5.666   5.673   4.009
  609   1HD2  LEU 995          1HD2      LEU 995   2.228   5.224   2.513
  610   2HD2  LEU 995          2HD2      LEU 995   2.720   6.031   4.001
  611   3HD2  LEU 995          3HD2      LEU 995   3.585   6.353   2.502
  612    H    ALA 996           H        ALA 996   7.626   4.823   1.474
  613    HA   ALA 996           HA       ALA 996   8.031   6.908   3.304
  614   1HB   ALA 996          HB1       ALA 996   9.660   5.100   2.953
  615   2HB   ALA 996          HB2       ALA 996  10.062   5.792   1.382
  616   3HB   ALA 996          HB3       ALA 996  10.398   6.698   2.857
  617    H    GLU 997           H        GLU 997   8.613   6.914  -0.256
  618    HA   GLU 997           HA       GLU 997   9.224   9.613  -0.375
  619   1HB   GLU 997          HB1       GLU 997   7.873   7.890  -2.416
  620   2HB   GLU 997          HB2       GLU 997   8.252   9.588  -2.700
  621   1HG   GLU 997          HG1       GLU 997  10.630   8.891  -1.956
  622   2HG   GLU 997          HG2       GLU 997  10.076   7.270  -2.377
  623    H    LEU 998           H        LEU 998   6.048   8.096  -0.217
  624    HA   LEU 998           HA       LEU 998   4.681  10.504  -0.889
  625   1HB   LEU 998          HB1       LEU 998   3.654   8.250  -1.086
  626   2HB   LEU 998          HB2       LEU 998   3.620   8.145   0.664
  627    HG   LEU 998           HG       LEU 998   2.050   9.973   0.807
  628   1HD1  LEU 998          1HD1      LEU 998   1.157  11.063  -1.192
  629   2HD1  LEU 998          2HD1      LEU 998   2.893  11.328  -1.032
  630   3HD1  LEU 998          3HD1      LEU 998   2.284  10.148  -2.194
  631   1HD2  LEU 998          1HD2      LEU 998   1.084   7.791   0.464
  632   2HD2  LEU 998          2HD2      LEU 998   0.135   8.998  -0.403
  633   3HD2  LEU 998          3HD2      LEU 998   1.252   7.955  -1.284
  634    H    ILE 999           H        ILE 999   5.881   9.089   2.078
  635    HA   ILE 999           HA       ILE 999   4.546  11.088   3.695
  636    HB   ILE 999           HB       ILE 999   5.748  10.236   5.628
  637   1HG1  ILE 999          1HG1      ILE 999   7.128   8.361   3.692
  638   2HG1  ILE 999          2HG1      ILE 999   7.895   9.689   4.555
  639   1HG2  ILE 999          1HG2      ILE 999   3.694   9.145   4.954
  640   2HG2  ILE 999          2HG2      ILE 999   4.593   8.062   3.891
  641   3HG2  ILE 999          3HG2      ILE 999   4.816   7.968   5.638
  642   1HD1  ILE 999          1HD1      ILE 999   6.628   7.287   5.848
  643   2HD1  ILE 999          2HD1      ILE 999   8.356   7.510   5.571
  644   3HD1  ILE 999          3HD1      ILE 999   7.492   8.588   6.669
  645    H    ASN1000           H        ASN1000   7.726  10.758   2.220
  646    HA   ASN1000           HA       ASN1000   8.644  13.285   3.278
  647   1HB   ASN1000          HB1       ASN1000   9.538  11.590   0.932
  648   2HB   ASN1000          HB2       ASN1000  10.274  13.138   1.322
  649   1HD2  ASN1000          2HD2      ASN1000   9.862   9.837   2.269
  650   2HD2  ASN1000          1HD2      ASN1000  11.137   9.800   3.431
  651    H    LYS1001           H        LYS1001   6.433  12.356   0.853
  652    HA   LYS1001           HA       LYS1001   6.728  14.863  -0.565
  653   1HB   LYS1001          HB1       LYS1001   5.368  12.324  -1.083
  654   2HB   LYS1001          HB2       LYS1001   4.448  13.738  -1.582
  655   1HG   LYS1001          HG1       LYS1001   5.907  12.774  -3.361
  656   2HG   LYS1001          HG2       LYS1001   6.199  14.480  -3.023
  657   1HD   LYS1001          HD1       LYS1001   8.114  13.813  -1.589
  658   2HD   LYS1001          HD2       LYS1001   7.849  12.139  -2.073
  659   1HE   LYS1001          HE1       LYS1001   8.384  14.375  -4.022
  660   2HE   LYS1001          HE2       LYS1001   9.652  13.366  -3.335
  661   1HZ   LYS1001          HZ1       LYS1001   8.767  11.460  -4.394
  662   2HZ   LYS1001          HZ2       LYS1001   7.350  12.268  -4.846
  663   3HZ   LYS1001          HZ3       LYS1001   8.822  12.678  -5.571
  664    H    MET1002           H        MET1002   4.503  13.402   1.766
  665    HA   MET1002           HA       MET1002   2.818  15.671   1.992
  666   1HB   MET1002          HB1       MET1002   2.038  14.718   4.034
  667   2HB   MET1002          HB2       MET1002   2.369  13.354   2.977
  668   1HG   MET1002          HG1       MET1002   4.525  13.029   4.113
  669   2HG   MET1002          HG2       MET1002   4.133  14.357   5.201
  670   1HE   MET1002          HE1       MET1002   3.798  11.361   7.628
  671   2HE   MET1002          HE2       MET1002   4.997  11.549   6.348
  672   3HE   MET1002          HE3       MET1002   4.523  12.940   7.324
  673    H    LYS1003           H        LYS1003   5.828  14.593   3.356
  674    HA   LYS1003           HA       LYS1003   6.327  16.703   5.124
  675   1HB   LYS1003          HB1       LYS1003   7.625  14.616   5.099
  676   2HB   LYS1003          HB2       LYS1003   8.251  15.016   3.508
  677   1HG   LYS1003          HG1       LYS1003   9.387  16.967   4.459
  678   2HG   LYS1003          HG2       LYS1003   8.788  16.522   6.060
  679   1HD   LYS1003          HD1       LYS1003   9.954  14.344   5.835
  680   2HD   LYS1003          HD2       LYS1003  10.619  14.893   4.297
  681   1HE   LYS1003          HE1       LYS1003  12.251  15.185   6.061
  682   2HE   LYS1003          HE2       LYS1003  11.723  16.756   5.458
  683   1HZ   LYS1003          HZ1       LYS1003  11.871  16.652   7.896
  684   2HZ   LYS1003          HZ2       LYS1003  10.303  17.009   7.361
  685   3HZ   LYS1003          HZ3       LYS1003  10.673  15.450   7.914
  686    H    LEU1004           H        LEU1004   7.532  16.180   1.814
  687    HA   LEU1004           HA       LEU1004   8.594  18.684   1.393
  688   1HB   LEU1004          HB1       LEU1004   7.519  16.595  -0.458
  689   2HB   LEU1004          HB2       LEU1004   8.118  18.122  -1.090
  690    HG   LEU1004           HG       LEU1004   9.701  16.121   0.530
  691   1HD1  LEU1004          1HD1      LEU1004  10.950  15.772  -1.522
  692   2HD1  LEU1004          2HD1      LEU1004   9.242  15.401  -1.760
  693   3HD1  LEU1004          3HD1      LEU1004   9.909  16.917  -2.366
  694   1HD2  LEU1004          1HD2      LEU1004  10.563  18.732  -0.710
  695   2HD2  LEU1004          2HD2      LEU1004  10.410  18.401   1.015
  696   3HD2  LEU1004          3HD2      LEU1004  11.627  17.555   0.061
  697    H    ALA1005           H        ALA1005   5.260  17.637   0.648
  698    HA   ALA1005           HA       ALA1005   4.418  20.005  -0.577
  699   1HB   ALA1005          HB1       ALA1005   2.779  18.166   1.167
  700   2HB   ALA1005          HB2       ALA1005   2.151  19.327  -0.004
  701   3HB   ALA1005          HB3       ALA1005   3.087  17.937  -0.554
  702    H    GLN1006           H        GLN1006   4.362  19.042   2.820
  703    HA   GLN1006           HA       GLN1006   3.372  21.576   3.728
  704   1HB   GLN1006          HB1       GLN1006   3.292  20.584   5.837
  705   2HB   GLN1006          HB2       GLN1006   3.100  19.206   4.760
  706   1HG   GLN1006          HG1       GLN1006   4.629  18.281   6.090
  707   2HG   GLN1006          HG2       GLN1006   5.759  19.161   5.065
  708   1HE2  GLN1006          2HE2      GLN1006   4.159  19.075   8.152
  709   2HE2  GLN1006          1HE2      GLN1006   5.216  20.184   8.961
  710    H    GLN1007           H        GLN1007   6.389  20.274   2.912
  711    HA   GLN1007           HA       GLN1007   8.082  21.829   4.596
  712   1HB   GLN1007          HB1       GLN1007   8.387  19.557   3.150
  713   2HB   GLN1007          HB2       GLN1007   9.081  20.724   2.035
  714   1HG   GLN1007          HG1       GLN1007  10.753  19.632   3.432
  715   2HG   GLN1007          HG2       GLN1007  10.715  21.383   3.696
  716   1HE2  GLN1007          2HE2      GLN1007   8.254  19.275   4.957
  717   2HE2  GLN1007          1HE2      GLN1007   8.717  19.393   6.623
  718    H    TYR1008           H        TYR1008   7.116  21.967   1.198
  719    HA   TYR1008           HA       TYR1008   8.463  24.406   0.607
  720   1HB   TYR1008          HB1       TYR1008   7.021  22.444  -0.813
  721   2HB   TYR1008          HB2       TYR1008   6.134  23.944  -1.045
  722    HD1  TYR1008           HD1      TYR1008   9.689  24.309  -0.530
  723    HD2  TYR1008           HD2      TYR1008   6.685  23.635  -3.465
  724    HE1  TYR1008           HE1      TYR1008  11.284  24.932  -2.293
  725    HE2  TYR1008           HE2      TYR1008   8.269  24.252  -5.248
  726    HH   TYR1008           HH       TYR1008  11.591  24.458  -4.737
  727    H    VAL1009           H        VAL1009   5.027  23.624   0.934
  728    HA   VAL1009           HA       VAL1009   3.199  24.989   1.083
  729    HB   VAL1009           HB       VAL1009   3.666  24.191   3.337
  730   1HG1  VAL1009          1HG1      VAL1009   5.159  26.779   3.732
  731   2HG1  VAL1009          2HG1      VAL1009   4.706  25.660   5.019
  732   3HG1  VAL1009          3HG1      VAL1009   5.833  25.150   3.762
  733   1HG2  VAL1009          1HG2      VAL1009   2.589  27.007   3.318
  734   2HG2  VAL1009          2HG2      VAL1009   1.683  25.544   2.933
  735   3HG2  VAL1009          3HG2      VAL1009   2.303  25.792   4.565
  736    H    MET1010           H        MET1010   4.321  26.273  -0.749
  737    HA   MET1010           HA       MET1010   4.427  29.100   0.073
  738   1HB   MET1010          HB1       MET1010   5.969  27.689  -2.103
  739   2HB   MET1010          HB2       MET1010   5.852  29.439  -1.990
  740   1HG   MET1010          HG1       MET1010   6.925  29.377   0.194
  741   2HG   MET1010          HG2       MET1010   7.022  27.619   0.100
  742   1HE   MET1010          HE1       MET1010  10.758  28.774  -0.331
  743   2HE   MET1010          HE2       MET1010   9.522  29.497   0.697
  744   3HE   MET1010          HE3       MET1010   9.659  27.743   0.585
  745    H    THR1011           H        THR1011   2.039  27.823  -0.519
  746    HA   THR1011           HA       THR1011   0.129  28.079  -1.693
  747    HB   THR1011           HB       THR1011   1.399  30.568  -2.831
  748    HG1  THR1011           HG1      THR1011   0.852  29.859  -0.254
  749   1HG2  THR1011          1HG2      THR1011  -0.791  29.949  -3.778
  750   2HG2  THR1011          2HG2      THR1011  -1.470  29.884  -2.152
  751   3HG2  THR1011          3HG2      THR1011  -0.896  31.417  -2.808
  752    H    SER1012           H        SER1012   1.809  29.734  -4.318
  753    HA   SER1012           HA       SER1012   0.696  27.781  -6.136
  754   1HB   SER1012          HB1       SER1012   2.323  30.268  -6.714
  755   2HB   SER1012          HB2       SER1012   1.439  29.308  -7.904
  756    HG   SER1012           HG       SER1012  -0.488  29.837  -6.796
  757    H    LEU1013           H        LEU1013   3.844  28.731  -4.916
  758    HA   LEU1013           HA       LEU1013   5.318  26.965  -6.612
  759   1HB   LEU1013          HB1       LEU1013   6.012  28.108  -3.903
  760   2HB   LEU1013          HB2       LEU1013   7.133  27.253  -4.947
  761    HG   LEU1013           HG       LEU1013   5.788  29.877  -5.601
  762   1HD1  LEU1013          1HD1      LEU1013   8.005  30.839  -5.338
  763   2HD1  LEU1013          2HD1      LEU1013   7.463  30.082  -3.839
  764   3HD1  LEU1013          3HD1      LEU1013   8.644  29.266  -4.862
  765   1HD2  LEU1013          1HD2      LEU1013   6.215  28.536  -7.592
  766   2HD2  LEU1013          2HD2      LEU1013   7.304  29.922  -7.519
  767   3HD2  LEU1013          3HD2      LEU1013   7.891  28.314  -7.095
  768    H    GLN1014           H        GLN1014   3.505  26.687  -3.702
  769    HA   GLN1014           HA       GLN1014   4.463  24.204  -2.763
  770   1HB   GLN1014          HB1       GLN1014   3.073  25.803  -1.457
  771   2HB   GLN1014          HB2       GLN1014   1.707  25.417  -2.486
  772   1HG   GLN1014          HG1       GLN1014   3.033  23.191  -1.043
  773   2HG   GLN1014          HG2       GLN1014   2.031  24.313  -0.122
  774   1HE2  GLN1014          2HE2      GLN1014   2.087  21.781  -2.438
  775   2HE2  GLN1014          1HE2      GLN1014   0.381  21.584  -2.577
  776    H    GLN1015           H        GLN1015   2.041  25.123  -5.140
  777    HA   GLN1015           HA       GLN1015   0.695  22.721  -5.474
  778   1HB   GLN1015          HB1       GLN1015   0.105  24.937  -6.511
  779   2HB   GLN1015          HB2       GLN1015   1.371  24.647  -7.696
  780   1HG   GLN1015          HG1       GLN1015   0.209  22.571  -8.367
  781   2HG   GLN1015          HG2       GLN1015  -1.093  22.983  -7.254
  782   1HE2  GLN1015          2HE2      GLN1015  -1.232  22.616 -10.110
  783   2HE2  GLN1015          1HE2      GLN1015  -1.796  24.116 -10.776
  784    H    GLU1016           H        GLU1016   3.599  23.880  -7.190
  785    HA   GLU1016           HA       GLU1016   4.201  21.747  -8.752
  786   1HB   GLU1016          HB1       GLU1016   5.573  23.754  -8.694
  787   2HB   GLU1016          HB2       GLU1016   6.131  23.362  -7.071
  788   1HG   GLU1016          HG1       GLU1016   7.285  21.413  -7.898
  789   2HG   GLU1016          HG2       GLU1016   6.642  21.683  -9.512
  790    H    TYR1017           H        TYR1017   4.821  21.982  -5.268
  791    HA   TYR1017           HA       TYR1017   6.089  19.394  -5.203
  792   1HB   TYR1017          HB1       TYR1017   5.575  21.545  -3.245
  793   2HB   TYR1017          HB2       TYR1017   5.608  19.910  -2.590
  794    HD1  TYR1017           HD1      TYR1017   7.637  20.296  -1.296
  795    HD2  TYR1017           HD2      TYR1017   7.618  20.834  -5.521
  796    HE1  TYR1017           HE1      TYR1017  10.094  20.318  -1.305
  797    HE2  TYR1017           HE2      TYR1017  10.076  20.862  -5.534
  798    HH   TYR1017           HH       TYR1017  11.923  21.376  -3.925
  799    H    LYS1018           H        LYS1018   2.890  20.661  -4.804
  800    HA   LYS1018           HA       LYS1018   1.706  18.373  -3.638
  801   1HB   LYS1018          HB1       LYS1018   0.527  20.537  -3.813
  802   2HB   LYS1018          HB2       LYS1018   0.478  20.367  -5.562
  803   1HG   LYS1018          HG1       LYS1018  -0.953  18.425  -5.371
  804   2HG   LYS1018          HG2       LYS1018  -0.841  18.486  -3.612
  805   1HD   LYS1018          HD1       LYS1018  -2.945  19.436  -4.326
  806   2HD   LYS1018          HD2       LYS1018  -1.924  20.708  -3.657
  807   1HE   LYS1018          HE1       LYS1018  -1.388  21.525  -5.833
  808   2HE   LYS1018          HE2       LYS1018  -2.135  20.125  -6.605
  809   1HZ   LYS1018          HZ1       LYS1018  -3.614  22.130  -4.987
  810   2HZ   LYS1018          HZ2       LYS1018  -3.524  22.151  -6.680
  811   3HZ   LYS1018          HZ3       LYS1018  -4.281  20.861  -5.884
  812    H    LYS1019           H        LYS1019   2.495  19.268  -6.948
  813    HA   LYS1019           HA       LYS1019   1.333  16.959  -8.151
  814   1HB   LYS1019          HB1       LYS1019   3.554  18.733  -9.181
  815   2HB   LYS1019          HB2       LYS1019   2.632  17.578 -10.134
  816   1HG   LYS1019          HG1       LYS1019   0.593  18.869  -9.714
  817   2HG   LYS1019          HG2       LYS1019   1.536  20.037  -8.784
  818   1HD   LYS1019          HD1       LYS1019   1.257  20.926 -10.979
  819   2HD   LYS1019          HD2       LYS1019   2.933  20.397 -10.832
  820   1HE   LYS1019          HE1       LYS1019   2.121  18.199 -11.875
  821   2HE   LYS1019          HE2       LYS1019   0.679  19.103 -12.329
  822   1HZ   LYS1019          HZ1       LYS1019   2.307  20.751 -13.356
  823   2HZ   LYS1019          HZ2       LYS1019   3.463  19.518 -13.208
  824   3HZ   LYS1019          HZ3       LYS1019   2.084  19.269 -14.157
  825    H    GLN1020           H        GLN1020   4.714  17.835  -7.403
  826    HA   GLN1020           HA       GLN1020   5.952  15.420  -7.854
  827   1HB   GLN1020          HB1       GLN1020   6.483  17.224  -5.486
  828   2HB   GLN1020          HB2       GLN1020   7.584  16.018  -6.133
  829   1HG   GLN1020          HG1       GLN1020   6.676  18.552  -7.469
  830   2HG   GLN1020          HG2       GLN1020   8.284  18.184  -6.852
  831   1HE2  GLN1020          2HE2      GLN1020   7.490  18.986  -9.508
  832   2HE2  GLN1020          1HE2      GLN1020   8.036  17.742 -10.576
  833    H    MET1021           H        MET1021   4.037  16.376  -5.067
  834    HA   MET1021           HA       MET1021   4.372  14.066  -3.514
  835   1HB   MET1021          HB1       MET1021   3.402  16.134  -2.637
  836   2HB   MET1021          HB2       MET1021   2.009  15.938  -3.692
  837   1HG   MET1021          HG1       MET1021   1.471  13.832  -2.509
  838   2HG   MET1021          HG2       MET1021   2.800  14.163  -1.395
  839   1HE   MET1021          HE1       MET1021  -0.673  15.387  -2.755
  840   2HE   MET1021          HE2       MET1021  -0.884  16.893  -1.864
  841   3HE   MET1021          HE3       MET1021   0.397  16.755  -3.067
  842    H    LEU1022           H        LEU1022   1.818  14.932  -5.835
  843    HA   LEU1022           HA       LEU1022   0.408  12.508  -5.682
  844   1HB   LEU1022          HB1       LEU1022   0.643  14.466  -7.970
  845   2HB   LEU1022          HB2       LEU1022  -0.529  13.164  -7.892
  846    HG   LEU1022           HG       LEU1022  -0.368  15.484  -5.966
  847   1HD1  LEU1022          1HD1      LEU1022  -2.338  14.890  -8.167
  848   2HD1  LEU1022          2HD1      LEU1022  -2.440  16.223  -7.016
  849   3HD1  LEU1022          3HD1      LEU1022  -1.119  16.164  -8.182
  850   1HD2  LEU1022          1HD2      LEU1022  -2.396  13.264  -6.205
  851   2HD2  LEU1022          2HD2      LEU1022  -1.220  13.459  -4.906
  852   3HD2  LEU1022          3HD2      LEU1022  -2.504  14.649  -5.121
  853    H    THR1023           H        THR1023   3.272  13.423  -7.447
  854    HA   THR1023           HA       THR1023   3.356  11.240  -9.240
  855    HB   THR1023           HB       THR1023   5.690  12.777  -8.078
  856    HG1  THR1023           HG1      THR1023   3.965  14.034  -9.177
  857   1HG2  THR1023          1HG2      THR1023   6.814  12.155 -10.180
  858   2HG2  THR1023          2HG2      THR1023   6.381  10.743  -9.218
  859   3HG2  THR1023          3HG2      THR1023   5.413  11.178 -10.626
  860    H    ALA1024           H        ALA1024   4.421  11.675  -5.922
  861    HA   ALA1024           HA       ALA1024   5.743   9.102  -5.781
  862   1HB   ALA1024          HB1       ALA1024   4.975  11.009  -3.571
  863   2HB   ALA1024          HB2       ALA1024   6.018   9.597  -3.407
  864   3HB   ALA1024          HB3       ALA1024   6.532  10.963  -4.398
  865    H    ALA1025           H        ALA1025   2.718  10.575  -4.744
  866    HA   ALA1025           HA       ALA1025   1.555   8.430  -3.410
  867   1HB   ALA1025          HB1       ALA1025   0.595  10.686  -3.458
  868   2HB   ALA1025          HB2       ALA1025   0.186  10.474  -5.160
  869   3HB   ALA1025          HB3       ALA1025  -0.592   9.470  -3.935
  870    H    HIS1026           H        HIS1026   1.578   9.228  -6.860
  871    HA   HIS1026           HA       HIS1026   0.005   7.164  -7.831
  872   1HB   HIS1026          HB1       HIS1026   0.796   8.970  -9.264
  873   2HB   HIS1026          HB2       HIS1026   2.461   8.449  -9.059
  874    HD1  HIS1026           HD1      HIS1026  -0.378   8.124 -11.285
  875    HD2  HIS1026           HD2      HIS1026   2.938   5.804 -10.312
  876    HE1  HIS1026           HE1      HIS1026  -0.121   6.476 -13.169
  877    HE2  HIS1026           HE2      HIS1026   1.969   5.173 -12.623
  878    H    ALA1027           H        ALA1027   3.512   7.177  -7.259
  879    HA   ALA1027           HA       ALA1027   3.975   4.571  -8.200
  880   1HB   ALA1027          HB1       ALA1027   5.581   6.153  -6.203
  881   2HB   ALA1027          HB2       ALA1027   6.138   4.747  -7.111
  882   3HB   ALA1027          HB3       ALA1027   5.737   6.243  -7.957
  883    H    LEU1028           H        LEU1028   3.338   5.790  -4.927
  884    HA   LEU1028           HA       LEU1028   3.693   3.184  -3.761
  885   1HB   LEU1028          HB1       LEU1028   4.201   4.829  -2.232
  886   2HB   LEU1028          HB2       LEU1028   2.834   5.834  -2.650
  887    HG   LEU1028           HG       LEU1028   1.400   3.951  -1.637
  888   1HD1  LEU1028          1HD1      LEU1028   2.470   2.566   0.029
  889   2HD1  LEU1028          2HD1      LEU1028   3.123   2.248  -1.578
  890   3HD1  LEU1028          3HD1      LEU1028   4.044   3.219  -0.427
  891   1HD2  LEU1028          1HD2      LEU1028   1.643   6.103  -0.596
  892   2HD2  LEU1028          2HD2      LEU1028   1.694   4.829   0.623
  893   3HD2  LEU1028          3HD2      LEU1028   3.185   5.614   0.104
  894    H    ALA1029           H        ALA1029   0.867   5.189  -4.592
  895    HA   ALA1029           HA       ALA1029  -1.104   3.420  -3.693
  896   1HB   ALA1029          HB1       ALA1029  -2.611   4.516  -5.288
  897   2HB   ALA1029          HB2       ALA1029  -1.639   5.682  -4.389
  898   3HB   ALA1029          HB3       ALA1029  -1.223   5.286  -6.057
  899    H    VAL1030           H        VAL1030   0.623   3.515  -6.788
  900    HA   VAL1030           HA       VAL1030  -0.768   1.336  -7.923
  901    HB   VAL1030           HB       VAL1030   1.967   2.455  -8.540
  902   1HG1  VAL1030          1HG1      VAL1030   1.967   0.095  -9.147
  903   2HG1  VAL1030          2HG1      VAL1030   0.454   0.307 -10.030
  904   3HG1  VAL1030          3HG1      VAL1030   1.922   1.104 -10.593
  905   1HG2  VAL1030          1HG2      VAL1030  -0.658   2.600 -10.024
  906   2HG2  VAL1030          2HG2      VAL1030   0.075   3.903  -9.088
  907   3HG2  VAL1030          3HG2      VAL1030   0.868   3.313 -10.549
  908    H    ASP1031           H        ASP1031   2.273   1.522  -6.127
  909    HA   ASP1031           HA       ASP1031   2.717  -1.232  -6.091
  910   1HB   ASP1031          HB1       ASP1031   4.384   0.491  -5.444
  911   2HB   ASP1031          HB2       ASP1031   3.542   0.645  -3.897
  912    H    ALA1032           H        ALA1032   0.725   0.713  -3.869
  913    HA   ALA1032           HA       ALA1032  -0.037  -1.308  -2.099
  914   1HB   ALA1032          HB1       ALA1032  -0.822   1.008  -1.908
  915   2HB   ALA1032          HB2       ALA1032  -1.793   0.800  -3.366
  916   3HB   ALA1032          HB3       ALA1032  -2.177  -0.123  -1.912
  917    H    LYS1033           H        LYS1033  -1.252  -0.505  -5.311
  918    HA   LYS1033           HA       LYS1033  -2.922  -2.789  -5.563
  919   1HB   LYS1033          HB1       LYS1033  -1.770  -0.950  -7.655
  920   2HB   LYS1033          HB2       LYS1033  -2.914  -2.237  -8.011
  921   1HG   LYS1033          HG1       LYS1033  -4.437  -1.112  -6.297
  922   2HG   LYS1033          HG2       LYS1033  -3.348   0.269  -6.425
  923   1HD   LYS1033          HD1       LYS1033  -5.264   0.509  -7.930
  924   2HD   LYS1033          HD2       LYS1033  -3.754   0.371  -8.835
  925   1HE   LYS1033          HE1       LYS1033  -4.198  -1.962  -9.290
  926   2HE   LYS1033          HE2       LYS1033  -5.648  -1.911  -8.289
  927   1HZ   LYS1033          HZ1       LYS1033  -6.074  -1.767 -10.706
  928   2HZ   LYS1033          HZ2       LYS1033  -6.696  -0.455  -9.835
  929   3HZ   LYS1033          HZ3       LYS1033  -5.271  -0.276 -10.741
  930    H    ASN1034           H        ASN1034   0.488  -2.327  -5.996
  931    HA   ASN1034           HA       ASN1034   0.898  -4.605  -7.676
  932   1HB   ASN1034          HB1       ASN1034   2.496  -2.733  -7.557
  933   2HB   ASN1034          HB2       ASN1034   2.814  -3.114  -5.870
  934   1HD2  ASN1034          2HD2      ASN1034   4.947  -3.479  -6.144
  935   2HD2  ASN1034          1HD2      ASN1034   5.579  -4.844  -7.023
  936    H    LEU1035           H        LEU1035   1.020  -3.967  -4.203
  937    HA   LEU1035           HA       LEU1035   1.860  -6.703  -3.636
  938   1HB   LEU1035          HB1       LEU1035   2.624  -4.833  -2.161
  939   2HB   LEU1035          HB2       LEU1035   0.948  -4.560  -1.688
  940    HG   LEU1035           HG       LEU1035   1.202  -7.204  -1.135
  941   1HD1  LEU1035          1HD1      LEU1035   3.331  -7.515   0.037
  942   2HD1  LEU1035          2HD1      LEU1035   3.541  -7.291  -1.699
  943   3HD1  LEU1035          3HD1      LEU1035   3.888  -5.963  -0.589
  944   1HD2  LEU1035          1HD2      LEU1035   0.267  -5.542   0.343
  945   2HD2  LEU1035          2HD2      LEU1035   1.447  -6.533   1.199
  946   3HD2  LEU1035          3HD2      LEU1035   1.877  -4.905   0.679
  947    H    LEU1036           H        LEU1036  -1.135  -4.951  -4.000
  948    HA   LEU1036           HA       LEU1036  -2.685  -6.835  -2.513
  949   1HB   LEU1036          HB1       LEU1036  -4.659  -5.812  -3.333
  950   2HB   LEU1036          HB2       LEU1036  -3.526  -4.535  -2.982
  951    HG   LEU1036           HG       LEU1036  -3.070  -4.445  -5.494
  952   1HD1  LEU1036          1HD1      LEU1036  -5.632  -6.041  -5.547
  953   2HD1  LEU1036          2HD1      LEU1036  -4.878  -5.253  -6.934
  954   3HD1  LEU1036          3HD1      LEU1036  -4.059  -6.589  -6.126
  955   1HD2  LEU1036          1HD2      LEU1036  -5.823  -3.775  -4.467
  956   2HD2  LEU1036          2HD2      LEU1036  -4.375  -2.791  -4.251
  957   3HD2  LEU1036          3HD2      LEU1036  -5.032  -3.054  -5.867
  958    H    ASP1037           H        ASP1037  -1.361  -6.626  -5.613
  959    HA   ASP1037           HA       ASP1037  -2.627  -9.012  -6.609
  960   1HB   ASP1037          HB1       ASP1037  -1.809  -7.387  -8.226
  961   2HB   ASP1037          HB2       ASP1037  -0.189  -7.474  -7.546
  962    H    VAL1038           H        VAL1038   0.523  -8.069  -5.323
  963    HA   VAL1038           HA       VAL1038   1.926 -10.413  -5.245
  964    HB   VAL1038           HB       VAL1038   1.741  -8.147  -3.281
  965   1HG1  VAL1038          1HG1      VAL1038   2.403 -10.079  -1.977
  966   2HG1  VAL1038          2HG1      VAL1038   3.690 -10.431  -3.130
  967   3HG1  VAL1038          3HG1      VAL1038   3.750  -8.956  -2.165
  968   1HG2  VAL1038          1HG2      VAL1038   3.962  -7.586  -4.164
  969   2HG2  VAL1038          2HG2      VAL1038   3.856  -8.962  -5.261
  970   3HG2  VAL1038          3HG2      VAL1038   2.727  -7.616  -5.422
  971    H    ILE1039           H        ILE1039  -0.098  -9.200  -2.656
  972    HA   ILE1039           HA       ILE1039   0.296 -11.623  -1.148
  973    HB   ILE1039           HB       ILE1039   0.584  -9.243  -0.289
  974   1HG1  ILE1039          1HG1      ILE1039  -1.126 -11.155   1.283
  975   2HG1  ILE1039          2HG1      ILE1039   0.632 -11.220   1.141
  976   1HG2  ILE1039          1HG2      ILE1039  -1.459  -8.252  -1.021
  977   2HG2  ILE1039          2HG2      ILE1039  -2.401  -9.449  -0.129
  978   3HG2  ILE1039          3HG2      ILE1039  -1.417  -8.273   0.743
  979   1HD1  ILE1039          1HD1      ILE1039  -0.066 -10.199   3.235
  980   2HD1  ILE1039          2HD1      ILE1039   0.804  -9.050   2.216
  981   3HD1  ILE1039          3HD1      ILE1039  -0.958  -8.967   2.335
  982    H    ASP1040           H        ASP1040  -2.460  -9.907  -2.682
  983    HA   ASP1040           HA       ASP1040  -4.329 -11.890  -2.013
  984   1HB   ASP1040          HB1       ASP1040  -5.112  -9.984  -3.267
  985   2HB   ASP1040          HB2       ASP1040  -4.069 -10.389  -4.626
  986    H    GLN1041           H        GLN1041  -1.712 -11.904  -4.384
  987    HA   GLN1041           HA       GLN1041  -2.397 -14.578  -5.179
  988   1HB   GLN1041          HB1       GLN1041   0.176 -13.048  -5.566
  989   2HB   GLN1041          HB2       GLN1041  -0.083 -14.690  -6.134
  990   1HG   GLN1041          HG1       GLN1041  -2.074 -13.740  -7.422
  991   2HG   GLN1041          HG2       GLN1041  -1.376 -12.155  -7.078
  992   1HE2  GLN1041          2HE2      GLN1041  -0.823 -11.638  -9.149
  993   2HE2  GLN1041          1HE2      GLN1041   0.407 -12.480 -10.040
  994    H    ALA1042           H        ALA1042  -0.420 -13.079  -2.680
  995    HA   ALA1042           HA       ALA1042   0.853 -15.301  -1.712
  996   1HB   ALA1042          HB1       ALA1042  -0.497 -13.199  -0.040
  997   2HB   ALA1042          HB2       ALA1042   0.762 -14.309   0.501
  998   3HB   ALA1042          HB3       ALA1042   1.126 -13.091  -0.722
  999    H    ARG1043           H        ARG1043  -2.455 -14.234  -0.889
 1000    HA   ARG1043           HA       ARG1043  -3.131 -16.366   0.705
 1001   1HB   ARG1043          HB1       ARG1043  -5.420 -15.801   0.429
 1002   2HB   ARG1043          HB2       ARG1043  -4.506 -14.314   0.366
 1003   1HG   ARG1043          HG1       ARG1043  -6.199 -14.077  -1.221
 1004   2HG   ARG1043          HG2       ARG1043  -4.752 -14.442  -2.160
 1005   1HD   ARG1043          HD1       ARG1043  -5.436 -16.636  -2.562
 1006   2HD   ARG1043          HD2       ARG1043  -6.628 -16.585  -1.275
 1007    HE   ARG1043           HE       ARG1043  -8.143 -15.674  -2.722
 1008   1HH1  ARG1043          2HH1      ARG1043  -5.000 -15.298  -4.210
 1009   2HH1  ARG1043          1HH1      ARG1043  -5.635 -15.217  -5.824
 1010   1HH2  ARG1043          2HH2      ARG1043  -8.974 -15.605  -4.850
 1011   2HH2  ARG1043          1HH2      ARG1043  -7.871 -15.433  -6.194
 1012    H    LEU1044           H        LEU1044  -3.283 -16.249  -2.841
 1013    HA   LEU1044           HA       LEU1044  -4.171 -18.990  -2.982
 1014   1HB   LEU1044          HB1       LEU1044  -4.707 -17.288  -4.717
 1015   2HB   LEU1044          HB2       LEU1044  -3.025 -17.301  -5.189
 1016    HG   LEU1044           HG       LEU1044  -3.230 -19.706  -5.771
 1017   1HD1  LEU1044          1HD1      LEU1044  -5.075 -20.261  -4.269
 1018   2HD1  LEU1044          2HD1      LEU1044  -6.159 -19.251  -5.223
 1019   3HD1  LEU1044          3HD1      LEU1044  -5.452 -20.700  -5.935
 1020   1HD2  LEU1044          1HD2      LEU1044  -4.486 -19.370  -7.819
 1021   2HD2  LEU1044          2HD2      LEU1044  -5.231 -17.919  -7.149
 1022   3HD2  LEU1044          3HD2      LEU1044  -3.496 -17.951  -7.472
 1023    H    LYS1045           H        LYS1045  -1.109 -17.325  -3.066
 1024    HA   LYS1045           HA       LYS1045   0.654 -19.250  -3.994
 1025   1HB   LYS1045          HB1       LYS1045   0.767 -16.819  -2.479
 1026   2HB   LYS1045          HB2       LYS1045   1.819 -17.996  -1.715
 1027   1HG   LYS1045          HG1       LYS1045   3.113 -16.697  -3.208
 1028   2HG   LYS1045          HG2       LYS1045   2.949 -18.308  -3.898
 1029   1HD   LYS1045          HD1       LYS1045   1.644 -17.575  -5.636
 1030   2HD   LYS1045          HD2       LYS1045   1.006 -16.204  -4.719
 1031   1HE   LYS1045          HE1       LYS1045   3.093 -15.034  -4.913
 1032   2HE   LYS1045          HE2       LYS1045   3.861 -16.432  -5.660
 1033   1HZ   LYS1045          HZ1       LYS1045   1.578 -14.987  -6.883
 1034   2HZ   LYS1045          HZ2       LYS1045   3.197 -14.611  -7.212
 1035   3HZ   LYS1045          HZ3       LYS1045   2.578 -16.146  -7.609
 1036    H    MET1046           H        MET1046  -0.591 -18.711  -0.752
 1037    HA   MET1046           HA       MET1046   0.754 -20.831   0.536
 1038   1HB   MET1046          HB1       MET1046  -0.434 -18.908   1.631
 1039   2HB   MET1046          HB2       MET1046  -1.952 -19.689   1.227
 1040   1HG   MET1046          HG1       MET1046  -1.392 -21.580   2.625
 1041   2HG   MET1046          HG2       MET1046   0.190 -20.877   2.969
 1042   1HE   MET1046          HE1       MET1046  -1.583 -21.806   5.342
 1043   2HE   MET1046          HE2       MET1046  -0.063 -20.940   5.571
 1044   3HE   MET1046          HE3       MET1046  -1.515 -20.416   6.426
 1045    H    ILE1047           H        ILE1047  -2.464 -20.613  -0.920
 1046    HA   ILE1047           HA       ILE1047  -3.156 -23.312  -0.548
 1047    HB   ILE1047           HB       ILE1047  -4.224 -21.036  -2.125
 1048   1HG1  ILE1047          1HG1      ILE1047  -6.282 -21.676  -0.905
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.417 -23.045  -0.224
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.936 -22.427  -3.194
 1051   2HG2  ILE1047          2HG2      ILE1047  -4.319 -22.796  -3.794
 1052   3HG2  ILE1047          3HG2      ILE1047  -5.098 -23.875  -2.637
 1053   1HD1  ILE1047          1HD1      ILE1047  -3.886 -21.523   0.907
 1054   2HD1  ILE1047          2HD1      ILE1047  -4.771 -20.152   0.241
 1055   3HD1  ILE1047          3HD1      ILE1047  -5.564 -21.244   1.375
 1056    H    SER1048           H        SER1048  -1.100 -21.768  -2.838
 1057    HA   SER1048           HA       SER1048  -1.266 -23.635  -4.949
 1058   1HB   SER1048          HB1       SER1048  -0.277 -21.373  -5.185
 1059   2HB   SER1048          HB2       SER1048   1.069 -21.866  -4.158
 1060    HG   SER1048           HG       SER1048   0.507 -23.463  -6.378
 1061    H    GLN1049           H        GLN1049   0.674 -23.487  -2.010
 1062    HA   GLN1049           HA       GLN1049   2.287 -25.756  -2.705
 1063   1HB   GLN1049          HB1       GLN1049   3.152 -24.035  -1.204
 1064   2HB   GLN1049          HB2       GLN1049   1.877 -24.378  -0.045
 1065   1HG   GLN1049          HG1       GLN1049   2.767 -26.634   0.264
 1066   2HG   GLN1049          HG2       GLN1049   4.050 -26.279  -0.889
 1067   1HE2  GLN1049          2HE2      GLN1049   2.814 -25.699   2.294
 1068   2HE2  GLN1049          1HE2      GLN1049   4.251 -24.972   2.937
 1069    H    SER1050           H        SER1050  -0.659 -25.229  -0.883
 1070    HA   SER1050           HA       SER1050  -0.670 -27.957   0.116
 1071   1HB   SER1050          HB1       SER1050  -1.420 -26.098   1.565
 1072   2HB   SER1050          HB2       SER1050  -2.732 -25.762   0.436
 1073    HG   SER1050           HG       SER1050  -3.282 -28.090   0.835
 1074    H    ARG1051           H        ARG1051  -1.870 -26.198  -2.537
 1075    HA   ARG1051           HA       ARG1051  -3.097 -26.723  -4.358
 1076   1HB   ARG1051          HB1       ARG1051  -2.962 -29.506  -3.210
 1077   2HB   ARG1051          HB2       ARG1051  -3.761 -29.132  -4.730
 1078   1HG   ARG1051          HG1       ARG1051  -1.601 -28.235  -5.570
 1079   2HG   ARG1051          HG2       ARG1051  -0.842 -28.804  -4.080
 1080   1HD   ARG1051          HD1       ARG1051  -0.588 -30.391  -5.960
 1081   2HD   ARG1051          HD2       ARG1051  -1.454 -31.081  -4.587
 1082    HE   ARG1051           HE       ARG1051  -3.490 -30.257  -6.067
 1083   1HH1  ARG1051          2HH1      ARG1051  -0.590 -31.977  -7.022
 1084   2HH1  ARG1051          1HH1      ARG1051  -1.365 -32.773  -8.361
 1085   1HH2  ARG1051          2HH2      ARG1051  -4.510 -31.312  -7.792
 1086   2HH2  ARG1051          1HH2      ARG1051  -3.590 -32.387  -8.810
 1087    HA   PRO1052           HA       PRO1052  -7.396 -26.806  -2.994
 1088   1HB   PRO1052          HB1       PRO1052  -8.562 -27.203  -5.433
 1089   2HB   PRO1052          HB2       PRO1052  -8.016 -25.623  -4.867
 1090   1HG   PRO1052          HG1       PRO1052  -6.733 -27.499  -6.786
 1091   2HG   PRO1052          HG2       PRO1052  -6.753 -25.729  -6.787
 1092   1HD   PRO1052          HD1       PRO1052  -4.621 -27.255  -5.965
 1093   2HD   PRO1052          HD2       PRO1052  -4.926 -25.593  -5.423
 1094    H    HIS1053           H        HIS1053  -6.871 -28.957  -5.762
 1095    HA   HIS1053           HA       HIS1053  -6.371 -31.293  -4.398
 1096   1HB   HIS1053          HB1       HIS1053  -8.456 -32.587  -4.694
 1097   2HB   HIS1053          HB2       HIS1053  -8.656 -31.272  -3.549
 1098    HD1  HIS1053           HD1      HIS1053 -10.062 -32.716  -6.598
 1099    HD2  HIS1053           HD2      HIS1053 -10.194 -29.055  -4.628
 1100    HE1  HIS1053           HE1      HIS1053 -12.076 -31.524  -7.512
 1101    HE2  HIS1053           HE2      HIS1053 -12.256 -29.413  -6.148
  Start of MODEL   10
    1   1H    ARG 920           H        ARG 920  -8.243 -20.308  -2.248
    2    HA   ARG 920           HA       ARG 920  -8.857 -19.204   0.333
    3   1HB   ARG 920          HB1       ARG 920  -6.604 -19.260  -0.922
    4   2HB   ARG 920          HB2       ARG 920  -7.214 -17.841  -1.766
    5   1HG   ARG 920          HG1       ARG 920  -5.997 -16.969  -0.015
    6   2HG   ARG 920          HG2       ARG 920  -7.669 -16.881   0.548
    7   1HD   ARG 920          HD1       ARG 920  -5.442 -18.682   1.426
    8   2HD   ARG 920          HD2       ARG 920  -6.542 -17.717   2.401
    9    HE   ARG 920           HE       ARG 920  -7.217 -20.278   1.111
   10   1HH1  ARG 920          2HH1      ARG 920  -7.948 -17.781   3.459
   11   2HH1  ARG 920          1HH1      ARG 920  -8.971 -18.812   4.411
   12   1HH2  ARG 920          2HH2      ARG 920  -8.630 -21.603   2.326
   13   2HH2  ARG 920          1HH2      ARG 920  -9.373 -20.967   3.765
   14    H    SER 921           H        SER 921  -9.569 -17.051   0.730
   15    HA   SER 921           HA       SER 921 -11.525 -16.141  -1.278
   16   1HB   SER 921          HB1       SER 921 -12.373 -17.134   0.903
   17   2HB   SER 921          HB2       SER 921 -11.664 -15.743   1.718
   18    HG   SER 921           HG       SER 921 -13.531 -15.504  -0.407
   19    H    ASN 922           H        ASN 922  -8.760 -15.344  -1.147
   20    HA   ASN 922           HA       ASN 922  -7.350 -13.548  -1.063
   21   1HB   ASN 922          HB1       ASN 922  -9.472 -11.542  -1.340
   22   2HB   ASN 922          HB2       ASN 922  -8.048 -11.811  -2.337
   23   1HD2  ASN 922          2HD2      ASN 922  -8.093 -13.564  -3.835
   24   2HD2  ASN 922          1HD2      ASN 922  -9.588 -14.065  -4.543
   25    H    ASP 923           H        ASP 923  -7.570 -14.290   1.210
   26    HA   ASP 923           HA       ASP 923  -8.937 -13.147   3.244
   27   1HB   ASP 923          HB1       ASP 923  -6.207 -14.386   3.084
   28   2HB   ASP 923          HB2       ASP 923  -6.877 -13.848   4.625
   29    H    LYS 924           H        LYS 924  -7.416 -12.137   5.108
   30    HA   LYS 924           HA       LYS 924  -7.495  -9.454   4.906
   31   1HB   LYS 924          HB1       LYS 924  -6.560 -11.250   6.778
   32   2HB   LYS 924          HB2       LYS 924  -5.138 -10.282   6.423
   33   1HG   LYS 924          HG1       LYS 924  -7.810  -9.191   7.288
   34   2HG   LYS 924          HG2       LYS 924  -6.413  -9.423   8.338
   35   1HD   LYS 924          HD1       LYS 924  -5.137  -7.885   6.834
   36   2HD   LYS 924          HD2       LYS 924  -6.645  -7.560   5.982
   37   1HE   LYS 924          HE1       LYS 924  -6.246  -7.108   8.933
   38   2HE   LYS 924          HE2       LYS 924  -6.016  -5.865   7.703
   39   1HZ   LYS 924          HZ1       LYS 924  -8.273  -5.885   7.162
   40   2HZ   LYS 924          HZ2       LYS 924  -8.574  -7.343   7.968
   41   3HZ   LYS 924          HZ3       LYS 924  -8.256  -5.928   8.855
   42    H    VAL 925           H        VAL 925  -5.181 -11.422   3.315
   43    HA   VAL 925           HA       VAL 925  -3.138  -9.552   2.839
   44    HB   VAL 925           HB       VAL 925  -2.784 -10.973   0.707
   45   1HG1  VAL 925          1HG1      VAL 925  -2.664 -12.190   3.469
   46   2HG1  VAL 925          2HG1      VAL 925  -1.813 -12.813   2.054
   47   3HG1  VAL 925          3HG1      VAL 925  -1.418 -11.216   2.692
   48   1HG2  VAL 925          1HG2      VAL 925  -5.070 -11.879   0.628
   49   2HG2  VAL 925          2HG2      VAL 925  -3.852 -13.152   0.719
   50   3HG2  VAL 925          3HG2      VAL 925  -4.779 -12.711   2.155
   51    H    TYR 926           H        TYR 926  -6.052 -10.373   0.794
   52    HA   TYR 926           HA       TYR 926  -5.291  -8.241  -1.061
   53   1HB   TYR 926          HB1       TYR 926  -6.425 -10.141  -2.014
   54   2HB   TYR 926          HB2       TYR 926  -7.732 -10.043  -0.839
   55    HD1  TYR 926           HD1      TYR 926  -9.699  -9.002  -1.441
   56    HD2  TYR 926           HD2      TYR 926  -6.130  -8.017  -3.537
   57    HE1  TYR 926           HE1      TYR 926 -10.996  -7.567  -2.962
   58    HE2  TYR 926           HE2      TYR 926  -7.417  -6.582  -5.067
   59    HH   TYR 926           HH       TYR 926  -9.697  -6.318  -5.866
   60    H    GLU 927           H        GLU 927  -7.315  -8.787   1.702
   61    HA   GLU 927           HA       GLU 927  -9.082  -6.635   1.542
   62   1HB   GLU 927          HB1       GLU 927  -7.928  -8.110   3.900
   63   2HB   GLU 927          HB2       GLU 927  -9.194  -6.906   4.055
   64   1HG   GLU 927          HG1       GLU 927 -10.618  -8.284   2.576
   65   2HG   GLU 927          HG2       GLU 927  -9.345  -9.507   2.561
   66    H    ASN 928           H        ASN 928  -6.083  -6.857   3.456
   67    HA   ASN 928           HA       ASN 928  -6.337  -4.223   4.486
   68   1HB   ASN 928          HB1       ASN 928  -4.989  -6.332   5.318
   69   2HB   ASN 928          HB2       ASN 928  -3.696  -5.601   4.374
   70   1HD2  ASN 928          2HD2      ASN 928  -3.785  -6.046   7.166
   71   2HD2  ASN 928          1HD2      ASN 928  -3.654  -4.504   7.940
   72    H    VAL 929           H        VAL 929  -4.344  -5.640   1.941
   73    HA   VAL 929           HA       VAL 929  -2.849  -3.377   1.343
   74    HB   VAL 929           HB       VAL 929  -2.352  -5.641   0.470
   75   1HG1  VAL 929          1HG1      VAL 929  -3.503  -6.455  -1.511
   76   2HG1  VAL 929          2HG1      VAL 929  -4.594  -6.318  -0.132
   77   3HG1  VAL 929          3HG1      VAL 929  -4.634  -5.106  -1.413
   78   1HG2  VAL 929          1HG2      VAL 929  -2.620  -3.487  -1.622
   79   2HG2  VAL 929          2HG2      VAL 929  -1.274  -3.696  -0.501
   80   3HG2  VAL 929          3HG2      VAL 929  -1.588  -4.912  -1.740
   81    H    THR 930           H        THR 930  -6.038  -4.341   0.101
   82    HA   THR 930           HA       THR 930  -6.364  -2.100  -1.591
   83    HB   THR 930           HB       THR 930  -8.539  -3.687  -0.205
   84    HG1  THR 930           HG1      THR 930  -7.514  -5.215  -1.348
   85   1HG2  THR 930          1HG2      THR 930  -9.338  -1.635  -1.261
   86   2HG2  THR 930          2HG2      THR 930  -8.532  -2.084  -2.764
   87   3HG2  THR 930          3HG2      THR 930  -9.879  -3.050  -2.161
   88    H    GLY 931           H        GLY 931  -6.947  -2.671   1.811
   89   1HA   GLY 931          HA1       GLY 931  -8.205  -0.290   2.548
   90   2HA   GLY 931          HA2       GLY 931  -7.103  -1.198   3.575
   91    H    LEU 932           H        LEU 932  -4.818  -0.913   1.815
   92    HA   LEU 932           HA       LEU 932  -3.729   1.548   2.646
   93   1HB   LEU 932          HB1       LEU 932  -2.463  -0.504   1.925
   94   2HB   LEU 932          HB2       LEU 932  -2.904  -0.130   0.271
   95    HG   LEU 932           HG       LEU 932  -0.547   0.479   0.969
   96   1HD1  LEU 932          1HD1      LEU 932  -1.541   1.462  -1.026
   97   2HD1  LEU 932          2HD1      LEU 932  -2.275   2.732  -0.048
   98   3HD1  LEU 932          3HD1      LEU 932  -0.520   2.633  -0.191
   99   1HD2  LEU 932          1HD2      LEU 932  -0.244   2.562   2.206
  100   2HD2  LEU 932          2HD2      LEU 932  -1.980   2.624   2.511
  101   3HD2  LEU 932          3HD2      LEU 932  -1.013   1.312   3.183
  102    H    VAL 933           H        VAL 933  -5.096   0.485  -0.443
  103    HA   VAL 933           HA       VAL 933  -4.861   2.891  -1.852
  104    HB   VAL 933           HB       VAL 933  -7.104   0.871  -2.102
  105   1HG1  VAL 933          1HG1      VAL 933  -7.246   1.665  -4.420
  106   2HG1  VAL 933          2HG1      VAL 933  -7.573   2.954  -3.261
  107   3HG1  VAL 933          3HG1      VAL 933  -6.010   2.874  -4.073
  108   1HG2  VAL 933          1HG2      VAL 933  -5.723  -0.171  -3.847
  109   2HG2  VAL 933          2HG2      VAL 933  -4.413   0.948  -3.469
  110   3HG2  VAL 933          3HG2      VAL 933  -4.942  -0.230  -2.267
  111    H    LYS 934           H        LYS 934  -7.433   1.706   0.254
  112    HA   LYS 934           HA       LYS 934  -9.146   3.920  -0.036
  113   1HB   LYS 934          HB1       LYS 934  -8.951   2.025   2.311
  114   2HB   LYS 934          HB2       LYS 934 -10.322   3.059   1.916
  115   1HG   LYS 934          HG1       LYS 934  -9.304   0.673   0.403
  116   2HG   LYS 934          HG2       LYS 934 -10.885   0.902   1.158
  117   1HD   LYS 934          HD1       LYS 934 -11.670   2.181  -0.553
  118   2HD   LYS 934          HD2       LYS 934 -10.086   2.884  -0.893
  119   1HE   LYS 934          HE1       LYS 934 -10.570   1.543  -2.746
  120   2HE   LYS 934          HE2       LYS 934  -9.431   0.601  -1.778
  121   1HZ   LYS 934          HZ1       LYS 934 -11.285  -0.663  -0.879
  122   2HZ   LYS 934          HZ2       LYS 934 -12.387   0.250  -1.792
  123   3HZ   LYS 934          HZ3       LYS 934 -11.274  -0.760  -2.573
  124    H    ALA 935           H        ALA 935  -6.290   3.456   1.807
  125    HA   ALA 935           HA       ALA 935  -6.767   5.622   3.629
  126   1HB   ALA 935          HB1       ALA 935  -4.208   4.197   2.942
  127   2HB   ALA 935          HB2       ALA 935  -4.455   5.298   4.298
  128   3HB   ALA 935          HB3       ALA 935  -5.320   3.762   4.239
  129    H    VAL 936           H        VAL 936  -5.155   5.217   0.502
  130    HA   VAL 936           HA       VAL 936  -4.362   7.991   0.548
  131    HB   VAL 936           HB       VAL 936  -2.960   6.367  -0.648
  132   1HG1  VAL 936          1HG1      VAL 936  -4.680   4.907  -1.552
  133   2HG1  VAL 936          2HG1      VAL 936  -5.250   6.200  -2.607
  134   3HG1  VAL 936          3HG1      VAL 936  -3.643   5.514  -2.843
  135   1HG2  VAL 936          1HG2      VAL 936  -4.126   8.533  -2.394
  136   2HG2  VAL 936          2HG2      VAL 936  -2.806   8.704  -1.238
  137   3HG2  VAL 936          3HG2      VAL 936  -2.594   7.707  -2.678
  138    H    ILE 937           H        ILE 937  -7.122   6.161  -0.256
  139    HA   ILE 937           HA       ILE 937  -8.537   8.197  -1.632
  140    HB   ILE 937           HB       ILE 937  -9.578   6.052   0.235
  141   1HG1  ILE 937          1HG1      ILE 937  -8.489   5.116  -1.740
  142   2HG1  ILE 937          2HG1      ILE 937 -10.231   4.880  -1.848
  143   1HG2  ILE 937          1HG2      ILE 937 -11.774   6.462  -0.745
  144   2HG2  ILE 937          2HG2      ILE 937 -11.158   7.898   0.072
  145   3HG2  ILE 937          3HG2      ILE 937 -11.107   7.797  -1.688
  146   1HD1  ILE 937          1HD1      ILE 937 -10.392   6.756  -3.394
  147   2HD1  ILE 937          2HD1      ILE 937  -8.653   7.016  -3.269
  148   3HD1  ILE 937          3HD1      ILE 937  -9.271   5.530  -3.988
  149    H    GLU 938           H        GLU 938  -8.180   7.355   1.807
  150    HA   GLU 938           HA       GLU 938  -9.387   9.526   3.020
  151   1HB   GLU 938          HB1       GLU 938  -6.765   8.233   3.819
  152   2HB   GLU 938          HB2       GLU 938  -7.736   9.274   4.851
  153   1HG   GLU 938          HG1       GLU 938  -8.652   6.638   3.718
  154   2HG   GLU 938          HG2       GLU 938  -8.025   6.883   5.347
  155    H    MET 939           H        MET 939  -6.115   9.284   1.723
  156    HA   MET 939           HA       MET 939  -5.201  11.843   2.345
  157   1HB   MET 939          HB1       MET 939  -3.653  10.185   1.589
  158   2HB   MET 939          HB2       MET 939  -4.534   9.946   0.091
  159   1HG   MET 939          HG1       MET 939  -3.311  12.599   0.694
  160   2HG   MET 939          HG2       MET 939  -2.308  11.275   0.109
  161   1HE   MET 939          HE1       MET 939  -2.718  13.523  -3.067
  162   2HE   MET 939          HE2       MET 939  -2.558  14.052  -1.393
  163   3HE   MET 939          HE3       MET 939  -1.577  12.714  -1.993
  164    H    SER 940           H        SER 940  -7.016  10.679  -0.450
  165    HA   SER 940           HA       SER 940  -7.041  13.155  -1.829
  166   1HB   SER 940          HB1       SER 940  -8.978  10.840  -2.049
  167   2HB   SER 940          HB2       SER 940  -8.749  12.123  -3.237
  168    HG   SER 940           HG       SER 940  -6.813  10.196  -2.430
  169    H    SER 941           H        SER 941  -8.990  11.830   0.751
  170    HA   SER 941           HA       SER 941 -11.194  13.667   0.309
  171   1HB   SER 941          HB1       SER 941 -10.606  11.930   2.728
  172   2HB   SER 941          HB2       SER 941 -12.148  12.677   2.313
  173    HG   SER 941           HG       SER 941 -10.817  10.756   0.693
  174    H    LYS 942           H        LYS 942  -8.537  13.156   2.474
  175    HA   LYS 942           HA       LYS 942  -8.778  15.266   4.234
  176   1HB   LYS 942          HB1       LYS 942  -6.770  13.372   3.351
  177   2HB   LYS 942          HB2       LYS 942  -6.056  14.919   3.779
  178   1HG   LYS 942          HG1       LYS 942  -7.996  13.594   5.621
  179   2HG   LYS 942          HG2       LYS 942  -6.297  13.105   5.587
  180   1HD   LYS 942          HD1       LYS 942  -5.587  15.331   6.073
  181   2HD   LYS 942          HD2       LYS 942  -7.237  15.935   5.924
  182   1HE   LYS 942          HE1       LYS 942  -6.383  15.615   8.291
  183   2HE   LYS 942          HE2       LYS 942  -7.920  14.840   7.914
  184   1HZ   LYS 942          HZ1       LYS 942  -6.237  13.476   9.192
  185   2HZ   LYS 942          HZ2       LYS 942  -6.909  12.738   7.823
  186   3HZ   LYS 942          HZ3       LYS 942  -5.345  13.384   7.760
  187    H    ILE 943           H        ILE 943  -7.256  15.183   1.027
  188    HA   ILE 943           HA       ILE 943  -6.216  17.822   1.297
  189    HB   ILE 943           HB       ILE 943  -5.171  16.135  -0.195
  190   1HG1  ILE 943          1HG1      ILE 943  -6.077  18.649  -1.608
  191   2HG1  ILE 943          2HG1      ILE 943  -4.719  18.534  -0.494
  192   1HG2  ILE 943          1HG2      ILE 943  -6.122  15.698  -2.399
  193   2HG2  ILE 943          2HG2      ILE 943  -7.181  15.125  -1.109
  194   3HG2  ILE 943          3HG2      ILE 943  -7.559  16.622  -1.962
  195   1HD1  ILE 943          1HD1      ILE 943  -4.958  17.157  -3.158
  196   2HD1  ILE 943          2HD1      ILE 943  -3.947  18.551  -2.779
  197   3HD1  ILE 943          3HD1      ILE 943  -3.608  16.990  -2.035
  198    H    GLN 944           H        GLN 944  -9.263  16.511   0.289
  199    HA   GLN 944           HA       GLN 944 -10.215  18.494  -1.389
  200   1HB   GLN 944          HB1       GLN 944 -11.711  16.856   0.650
  201   2HB   GLN 944          HB2       GLN 944 -12.505  17.932  -0.487
  202   1HG   GLN 944          HG1       GLN 944 -10.883  15.484  -1.121
  203   2HG   GLN 944          HG2       GLN 944 -12.616  15.702  -1.322
  204   1HE2  GLN 944          2HE2      GLN 944  -9.517  16.243  -2.615
  205   2HE2  GLN 944          1HE2      GLN 944 -10.008  16.928  -4.131
  206    HA   PRO 945           HA       PRO 945 -11.631  21.327   1.994
  207   1HB   PRO 945          HB1       PRO 945 -12.236  20.534   4.466
  208   2HB   PRO 945          HB2       PRO 945 -13.221  20.057   3.079
  209   1HG   PRO 945          HG1       PRO 945 -11.361  18.440   4.704
  210   2HG   PRO 945          HG2       PRO 945 -12.738  17.922   3.717
  211   1HD   PRO 945          HD1       PRO 945  -9.931  17.938   3.025
  212   2HD   PRO 945          HD2       PRO 945 -11.299  17.329   2.072
  213    H    ALA 946           H        ALA 946  -8.758  19.720   2.710
  214    HA   ALA 946           HA       ALA 946  -8.133  21.556   4.927
  215   1HB   ALA 946          HB1       ALA 946  -7.018  18.810   4.421
  216   2HB   ALA 946          HB2       ALA 946  -6.626  19.860   5.782
  217   3HB   ALA 946          HB3       ALA 946  -8.261  19.224   5.603
  218    HA   PRO 947           HA       PRO 947  -4.760  23.201   2.585
  219   1HB   PRO 947          HB1       PRO 947  -3.495  24.141   4.995
  220   2HB   PRO 947          HB2       PRO 947  -4.514  25.044   3.874
  221   1HG   PRO 947          HG1       PRO 947  -5.225  24.440   6.452
  222   2HG   PRO 947          HG2       PRO 947  -6.385  24.748   5.147
  223   1HD   PRO 947          HD1       PRO 947  -5.417  22.133   6.245
  224   2HD   PRO 947          HD2       PRO 947  -7.067  22.626   5.798
  225    HA   PRO 948           HA       PRO 948  -0.835  21.049   2.524
  226   1HB   PRO 948          HB1       PRO 948   0.518  23.388   3.794
  227   2HB   PRO 948          HB2       PRO 948   0.978  22.466   2.358
  228   1HG   PRO 948          HG1       PRO 948  -0.164  24.846   2.108
  229   2HG   PRO 948          HG2       PRO 948  -0.597  23.517   1.017
  230   1HD   PRO 948          HD1       PRO 948  -2.127  24.674   3.296
  231   2HD   PRO 948          HD2       PRO 948  -2.719  23.990   1.770
  232    H    GLU 949           H        GLU 949  -1.366  22.784   5.583
  233    HA   GLU 949           HA       GLU 949   0.335  21.329   7.222
  234   1HB   GLU 949          HB1       GLU 949  -2.322  22.622   7.735
  235   2HB   GLU 949          HB2       GLU 949  -1.501  21.726   9.004
  236   1HG   GLU 949          HG1       GLU 949   0.462  23.207   8.713
  237   2HG   GLU 949          HG2       GLU 949  -0.468  24.143   7.545
  238    H    GLU 950           H        GLU 950  -2.721  20.421   5.806
  239    HA   GLU 950           HA       GLU 950  -2.699  17.914   7.299
  240   1HB   GLU 950          HB1       GLU 950  -4.764  18.989   5.385
  241   2HB   GLU 950          HB2       GLU 950  -4.895  17.500   6.315
  242   1HG   GLU 950          HG1       GLU 950  -4.687  20.271   7.481
  243   2HG   GLU 950          HG2       GLU 950  -6.176  19.348   7.295
  244    H    TYR 951           H        TYR 951  -1.471  19.131   4.430
  245    HA   TYR 951           HA       TYR 951  -1.727  16.982   2.658
  246   1HB   TYR 951          HB1       TYR 951   0.528  18.936   3.103
  247   2HB   TYR 951          HB2       TYR 951   0.682  17.641   1.930
  248    HD1  TYR 951           HD1      TYR 951  -2.684  18.532   1.859
  249    HD2  TYR 951           HD2      TYR 951   1.157  19.952   0.705
  250    HE1  TYR 951           HE1      TYR 951  -3.724  19.936   0.126
  251    HE2  TYR 951           HE2      TYR 951   0.134  21.359  -1.016
  252    HH   TYR 951           HH       TYR 951  -3.205  21.970  -1.166
  253    H    VAL 952           H        VAL 952   0.488  17.503   5.384
  254    HA   VAL 952           HA       VAL 952   1.618  14.891   4.981
  255    HB   VAL 952           HB       VAL 952   3.235  16.151   5.927
  256   1HG1  VAL 952          1HG1      VAL 952   1.952  18.120   6.473
  257   2HG1  VAL 952          2HG1      VAL 952   1.244  17.311   7.870
  258   3HG1  VAL 952          3HG1      VAL 952   2.969  17.679   7.843
  259   1HG2  VAL 952          1HG2      VAL 952   3.628  15.421   8.250
  260   2HG2  VAL 952          2HG2      VAL 952   1.971  14.818   8.315
  261   3HG2  VAL 952          3HG2      VAL 952   3.124  14.103   7.190
  262    HA   PRO 953           HA       PRO 953  -1.263  13.643   8.830
  263   1HB   PRO 953          HB1       PRO 953  -3.448  15.458   7.941
  264   2HB   PRO 953          HB2       PRO 953  -3.110  14.813   9.557
  265   1HG   PRO 953          HG1       PRO 953  -2.437  17.302   8.982
  266   2HG   PRO 953          HG2       PRO 953  -1.333  16.270   9.913
  267   1HD   PRO 953          HD1       PRO 953  -1.182  17.114   7.056
  268   2HD   PRO 953          HD2       PRO 953   0.124  16.845   8.226
  269    H    MET 954           H        MET 954  -2.287  14.599   5.553
  270    HA   MET 954           HA       MET 954  -4.181  12.462   5.412
  271   1HB   MET 954          HB1       MET 954  -4.472  12.980   3.105
  272   2HB   MET 954          HB2       MET 954  -4.314  14.501   3.965
  273   1HG   MET 954          HG1       MET 954  -1.959  14.614   3.242
  274   2HG   MET 954          HG2       MET 954  -2.214  13.143   2.303
  275   1HE   MET 954          HE1       MET 954  -4.829  16.048   2.828
  276   2HE   MET 954          HE2       MET 954  -3.268  16.867   2.814
  277   3HE   MET 954          HE3       MET 954  -4.407  17.114   1.489
  278    H    VAL 955           H        VAL 955  -0.809  12.902   4.410
  279    HA   VAL 955           HA       VAL 955  -0.496  10.307   3.427
  280    HB   VAL 955           HB       VAL 955   1.209  12.346   3.458
  281   1HG1  VAL 955          1HG1      VAL 955   2.257  10.592   5.672
  282   2HG1  VAL 955          2HG1      VAL 955   3.100  11.942   4.911
  283   3HG1  VAL 955          3HG1      VAL 955   1.650  12.236   5.869
  284   1HG2  VAL 955          1HG2      VAL 955   1.327  10.386   2.060
  285   2HG2  VAL 955          2HG2      VAL 955   2.915  10.724   2.749
  286   3HG2  VAL 955          3HG2      VAL 955   1.923   9.424   3.411
  287    H    LYS 956           H        LYS 956  -0.667  11.506   6.696
  288    HA   LYS 956           HA       LYS 956   0.344   9.330   8.128
  289   1HB   LYS 956          HB1       LYS 956  -0.395  11.137   9.449
  290   2HB   LYS 956          HB2       LYS 956  -1.945  11.214   8.619
  291   1HG   LYS 956          HG1       LYS 956  -2.602   9.101   9.685
  292   2HG   LYS 956          HG2       LYS 956  -1.074   9.091  10.564
  293   1HD   LYS 956          HD1       LYS 956  -1.676  10.887  11.893
  294   2HD   LYS 956          HD2       LYS 956  -2.870  11.472  10.734
  295   1HE   LYS 956          HE1       LYS 956  -3.207   8.850  12.158
  296   2HE   LYS 956          HE2       LYS 956  -3.731  10.369  12.884
  297   1HZ   LYS 956          HZ1       LYS 956  -5.304  10.708  11.207
  298   2HZ   LYS 956          HZ2       LYS 956  -4.617   9.563  10.167
  299   3HZ   LYS 956          HZ3       LYS 956  -5.446   9.061  11.560
  300    H    GLU 957           H        GLU 957  -2.785   9.869   6.679
  301    HA   GLU 957           HA       GLU 957  -4.098   7.574   7.418
  302   1HB   GLU 957          HB1       GLU 957  -4.412   8.796   4.675
  303   2HB   GLU 957          HB2       GLU 957  -5.637   7.999   5.650
  304   1HG   GLU 957          HG1       GLU 957  -4.364  10.672   6.198
  305   2HG   GLU 957          HG2       GLU 957  -6.000  10.380   5.617
  306    H    VAL 958           H        VAL 958  -2.079   8.049   4.475
  307    HA   VAL 958           HA       VAL 958  -2.350   5.308   3.704
  308    HB   VAL 958           HB       VAL 958  -0.840   5.726   1.920
  309   1HG1  VAL 958          1HG1      VAL 958  -2.422   8.237   2.445
  310   2HG1  VAL 958          2HG1      VAL 958  -1.780   7.721   0.884
  311   3HG1  VAL 958          3HG1      VAL 958  -3.022   6.761   1.687
  312   1HG2  VAL 958          1HG2      VAL 958  -0.005   8.244   3.360
  313   2HG2  VAL 958          2HG2      VAL 958   0.973   6.798   3.109
  314   3HG2  VAL 958          3HG2      VAL 958   0.489   7.785   1.731
  315    H    GLY 959           H        GLY 959  -0.046   7.021   5.731
  316   1HA   GLY 959          HA1       GLY 959   2.035   5.069   5.458
  317   2HA   GLY 959          HA2       GLY 959   1.959   6.342   6.667
  318    H    LEU 960           H        LEU 960  -0.258   5.762   8.107
  319    HA   LEU 960           HA       LEU 960   0.363   3.458   9.594
  320   1HB   LEU 960          HB1       LEU 960  -2.054   5.226   9.456
  321   2HB   LEU 960          HB2       LEU 960  -2.102   3.753  10.404
  322    HG   LEU 960           HG       LEU 960  -0.169   4.582  11.731
  323   1HD1  LEU 960          1HD1      LEU 960  -0.606   7.144  10.207
  324   2HD1  LEU 960          2HD1      LEU 960   0.467   6.926  11.590
  325   3HD1  LEU 960          3HD1      LEU 960   0.801   6.089  10.074
  326   1HD2  LEU 960          1HD2      LEU 960  -2.457   4.877  12.512
  327   2HD2  LEU 960          2HD2      LEU 960  -1.438   6.232  12.998
  328   3HD2  LEU 960          3HD2      LEU 960  -2.561   6.410  11.649
  329    H    ALA 961           H        ALA 961  -1.635   3.944   6.825
  330    HA   ALA 961           HA       ALA 961  -3.027   1.526   6.832
  331   1HB   ALA 961          HB1       ALA 961  -3.558   3.356   5.316
  332   2HB   ALA 961          HB2       ALA 961  -2.067   3.048   4.426
  333   3HB   ALA 961          HB3       ALA 961  -3.344   1.832   4.456
  334    H    LEU 962           H        LEU 962   0.139   2.234   5.170
  335    HA   LEU 962           HA       LEU 962   0.437  -0.472   4.408
  336   1HB   LEU 962          HB1       LEU 962   1.579   1.288   3.230
  337   2HB   LEU 962          HB2       LEU 962   2.458   1.754   4.674
  338    HG   LEU 962           HG       LEU 962   3.725   0.480   2.862
  339   1HD1  LEU 962          1HD1      LEU 962   4.638   0.796   5.095
  340   2HD1  LEU 962          2HD1      LEU 962   3.766  -0.627   5.663
  341   3HD1  LEU 962          3HD1      LEU 962   5.047  -0.800   4.464
  342   1HD2  LEU 962          1HD2      LEU 962   3.533  -1.945   2.884
  343   2HD2  LEU 962          2HD2      LEU 962   2.201  -1.839   4.035
  344   3HD2  LEU 962          3HD2      LEU 962   2.011  -1.195   2.405
  345    H    ARG 963           H        ARG 963   1.388   1.279   7.352
  346    HA   ARG 963           HA       ARG 963   2.857  -0.824   8.492
  347   1HB   ARG 963          HB1       ARG 963   2.933   1.373   9.472
  348   2HB   ARG 963          HB2       ARG 963   1.204   1.346   9.791
  349   1HG   ARG 963          HG1       ARG 963   1.434  -0.223  11.517
  350   2HG   ARG 963          HG2       ARG 963   3.067  -0.661  11.015
  351   1HD   ARG 963          HD1       ARG 963   2.269   2.038  12.098
  352   2HD   ARG 963          HD2       ARG 963   2.993   0.746  13.055
  353    HE   ARG 963           HE       ARG 963   4.329   2.491  11.195
  354   1HH1  ARG 963          2HH1      ARG 963   4.472  -0.589  12.869
  355   2HH1  ARG 963          1HH1      ARG 963   6.193  -0.754  12.674
  356   1HH2  ARG 963          2HH2      ARG 963   6.596   2.310  11.010
  357   2HH2  ARG 963          1HH2      ARG 963   7.401   0.911  11.663
  358    H    THR 964           H        THR 964  -0.606  -0.027   8.894
  359    HA   THR 964           HA       THR 964  -1.368  -2.360  10.223
  360    HB   THR 964           HB       THR 964  -2.997  -0.887   8.133
  361    HG1  THR 964           HG1      THR 964  -2.472   0.620   9.643
  362   1HG2  THR 964          1HG2      THR 964  -4.928  -1.709   9.400
  363   2HG2  THR 964          2HG2      THR 964  -3.962  -3.047   8.777
  364   3HG2  THR 964          3HG2      THR 964  -3.848  -2.595  10.478
  365    H    LEU 965           H        LEU 965  -0.892  -1.750   6.802
  366    HA   LEU 965           HA       LEU 965  -1.730  -4.220   5.762
  367   1HB   LEU 965          HB1       LEU 965  -0.750  -1.890   4.732
  368   2HB   LEU 965          HB2       LEU 965   0.603  -2.970   4.476
  369    HG   LEU 965           HG       LEU 965  -2.194  -3.307   3.406
  370   1HD1  LEU 965          1HD1      LEU 965   0.451  -2.717   2.091
  371   2HD1  LEU 965          2HD1      LEU 965  -1.042  -3.087   1.230
  372   3HD1  LEU 965          3HD1      LEU 965  -0.936  -1.634   2.224
  373   1HD2  LEU 965          1HD2      LEU 965   0.205  -5.101   3.058
  374   2HD2  LEU 965          2HD2      LEU 965  -1.225  -5.474   4.020
  375   3HD2  LEU 965          3HD2      LEU 965  -1.361  -5.290   2.270
  376    H    LEU 966           H        LEU 966   1.379  -3.098   6.939
  377    HA   LEU 966           HA       LEU 966   2.976  -5.302   6.601
  378   1HB   LEU 966          HB1       LEU 966   3.744  -3.178   7.549
  379   2HB   LEU 966          HB2       LEU 966   2.880  -3.523   9.034
  380    HG   LEU 966           HG       LEU 966   4.350  -5.512   9.359
  381   1HD1  LEU 966          1HD1      LEU 966   5.014  -5.895   7.066
  382   2HD1  LEU 966          2HD1      LEU 966   5.831  -4.331   7.014
  383   3HD1  LEU 966          3HD1      LEU 966   6.436  -5.613   8.067
  384   1HD2  LEU 966          1HD2      LEU 966   4.791  -3.417  10.509
  385   2HD2  LEU 966          2HD2      LEU 966   6.300  -4.217  10.069
  386   3HD2  LEU 966          3HD2      LEU 966   5.724  -2.838   9.131
  387    H    ALA 967           H        ALA 967   0.447  -4.898   9.054
  388    HA   ALA 967           HA       ALA 967   0.990  -7.253  10.514
  389   1HB   ALA 967          HB1       ALA 967  -1.306  -7.134  11.292
  390   2HB   ALA 967          HB2       ALA 967  -0.593  -5.521  11.271
  391   3HB   ALA 967          HB3       ALA 967  -1.710  -6.005   9.997
  392    H    THR 968           H        THR 968  -1.044  -6.652   7.703
  393    HA   THR 968           HA       THR 968  -1.779  -9.323   7.168
  394    HB   THR 968           HB       THR 968  -1.550  -6.860   5.482
  395    HG1  THR 968           HG1      THR 968  -3.900  -8.147   5.442
  396   1HG2  THR 968          1HG2      THR 968  -0.908  -8.660   3.983
  397   2HG2  THR 968          2HG2      THR 968  -2.308  -9.605   4.487
  398   3HG2  THR 968          3HG2      THR 968  -2.536  -8.098   3.598
  399    H    VAL 969           H        VAL 969   1.013  -7.422   6.103
  400    HA   VAL 969           HA       VAL 969   2.314  -9.278   4.556
  401    HB   VAL 969           HB       VAL 969   3.569  -7.344   6.512
  402   1HG1  VAL 969          1HG1      VAL 969   5.180  -9.067   5.936
  403   2HG1  VAL 969          2HG1      VAL 969   4.838  -8.842   4.221
  404   3HG1  VAL 969          3HG1      VAL 969   5.604  -7.549   5.145
  405   1HG2  VAL 969          1HG2      VAL 969   3.882  -5.939   4.525
  406   2HG2  VAL 969          2HG2      VAL 969   3.027  -7.135   3.552
  407   3HG2  VAL 969          3HG2      VAL 969   2.177  -6.270   4.833
  408    H    ASP 970           H        ASP 970   1.948  -9.284   8.035
  409    HA   ASP 970           HA       ASP 970   3.840 -11.402   8.480
  410   1HB   ASP 970          HB1       ASP 970   3.171  -9.715  10.221
  411   2HB   ASP 970          HB2       ASP 970   1.590 -10.483  10.284
  412    H    GLU 971           H        GLU 971   0.475 -11.226   7.705
  413    HA   GLU 971           HA       GLU 971  -0.166 -13.975   8.118
  414   1HB   GLU 971          HB1       GLU 971  -1.268 -12.139   5.980
  415   2HB   GLU 971          HB2       GLU 971  -2.021 -13.604   6.598
  416   1HG   GLU 971          HG1       GLU 971  -1.446 -11.188   8.281
  417   2HG   GLU 971          HG2       GLU 971  -2.981 -11.476   7.455
  418    H    SER 972           H        SER 972   0.794 -12.177   5.237
  419    HA   SER 972           HA       SER 972   1.262 -14.378   3.599
  420   1HB   SER 972          HB1       SER 972   2.546 -12.694   2.245
  421   2HB   SER 972          HB2       SER 972   0.885 -12.235   2.643
  422    HG   SER 972           HG       SER 972   2.999 -11.439   4.327
  423    H    LEU 973           H        LEU 973   3.107 -13.018   6.179
  424    HA   LEU 973           HA       LEU 973   5.710 -13.693   5.495
  425   1HB   LEU 973          HB1       LEU 973   5.193 -12.371   7.458
  426   2HB   LEU 973          HB2       LEU 973   4.392 -13.734   8.210
  427    HG   LEU 973           HG       LEU 973   6.680 -14.903   8.109
  428   1HD1  LEU 973          1HD1      LEU 973   7.744 -13.358   6.558
  429   2HD1  LEU 973          2HD1      LEU 973   7.553 -12.047   7.722
  430   3HD1  LEU 973          3HD1      LEU 973   8.607 -13.411   8.094
  431   1HD2  LEU 973          1HD2      LEU 973   5.636 -14.119  10.167
  432   2HD2  LEU 973          2HD2      LEU 973   7.378 -13.847  10.198
  433   3HD2  LEU 973          3HD2      LEU 973   6.280 -12.502   9.887
  434    HA   PRO 974           HA       PRO 974   5.197 -18.201   7.206
  435   1HB   PRO 974          HB1       PRO 974   2.607 -19.102   7.468
  436   2HB   PRO 974          HB2       PRO 974   3.617 -18.565   8.814
  437   1HG   PRO 974          HG1       PRO 974   1.497 -17.087   7.324
  438   2HG   PRO 974          HG2       PRO 974   1.859 -17.088   9.061
  439   1HD   PRO 974          HD1       PRO 974   2.608 -15.066   7.457
  440   2HD   PRO 974          HD2       PRO 974   3.604 -15.592   8.826
  441    H    VAL 975           H        VAL 975   2.964 -16.595   5.086
  442    HA   VAL 975           HA       VAL 975   2.685 -18.830   3.272
  443    HB   VAL 975           HB       VAL 975   2.215 -15.898   2.738
  444   1HG1  VAL 975          1HG1      VAL 975   2.480 -17.190   0.698
  445   2HG1  VAL 975          2HG1      VAL 975   1.284 -18.357   1.263
  446   3HG1  VAL 975          3HG1      VAL 975   0.799 -16.700   0.904
  447   1HG2  VAL 975          1HG2      VAL 975  -0.156 -16.432   3.138
  448   2HG2  VAL 975          2HG2      VAL 975   0.310 -18.063   3.621
  449   3HG2  VAL 975          3HG2      VAL 975   0.836 -16.676   4.575
  450    H    LEU 976           H        LEU 976   5.185 -16.519   3.834
  451    HA   LEU 976           HA       LEU 976   6.175 -16.632   1.167
  452   1HB   LEU 976          HB1       LEU 976   7.919 -15.219   1.747
  453   2HB   LEU 976          HB2       LEU 976   6.555 -14.681   2.688
  454    HG   LEU 976           HG       LEU 976   7.676 -16.077   4.599
  455   1HD1  LEU 976          1HD1      LEU 976  10.025 -15.515   2.791
  456   2HD1  LEU 976          2HD1      LEU 976  10.119 -16.074   4.462
  457   3HD1  LEU 976          3HD1      LEU 976   9.409 -17.111   3.223
  458   1HD2  LEU 976          1HD2      LEU 976   8.930 -14.087   5.256
  459   2HD2  LEU 976          2HD2      LEU 976   8.781 -13.453   3.617
  460   3HD2  LEU 976          3HD2      LEU 976   7.341 -13.668   4.612
  461    HA   PRO 977           HA       PRO 977   9.271 -19.922   2.848
  462   1HB   PRO 977          HB1       PRO 977   8.228 -21.498   4.845
  463   2HB   PRO 977          HB2       PRO 977   9.416 -20.217   5.111
  464   1HG   PRO 977          HG1       PRO 977   6.459 -20.176   5.501
  465   2HG   PRO 977          HG2       PRO 977   7.737 -19.436   6.485
  466   1HD   PRO 977          HD1       PRO 977   6.232 -18.004   4.768
  467   2HD   PRO 977          HD2       PRO 977   7.931 -17.613   5.090
  468    H    ALA 978           H        ALA 978   5.773 -20.144   3.080
  469    HA   ALA 978           HA       ALA 978   5.477 -22.681   1.885
  470   1HB   ALA 978          HB1       ALA 978   3.642 -21.533   3.034
  471   2HB   ALA 978          HB2       ALA 978   3.604 -20.318   1.756
  472   3HB   ALA 978          HB3       ALA 978   3.191 -21.993   1.391
  473    H    SER 979           H        SER 979   5.184 -19.428   0.378
  474    HA   SER 979           HA       SER 979   6.437 -20.363  -2.038
  475   1HB   SER 979          HB1       SER 979   3.460 -19.821  -2.001
  476   2HB   SER 979          HB2       SER 979   4.424 -19.912  -3.479
  477    HG   SER 979           HG       SER 979   4.899 -22.057  -1.899
  478    H    THR 980           H        THR 980   4.404 -17.814  -0.621
  479    HA   THR 980           HA       THR 980   4.602 -15.972  -2.693
  480    HB   THR 980           HB       THR 980   2.949 -15.969  -0.753
  481    HG1  THR 980           HG1      THR 980   4.124 -13.795  -2.072
  482   1HG2  THR 980          1HG2      THR 980   4.596 -15.797   1.070
  483   2HG2  THR 980          2HG2      THR 980   5.092 -14.220   0.456
  484   3HG2  THR 980          3HG2      THR 980   3.457 -14.450   1.076
  485    H    HIS 981           H        HIS 981   7.176 -16.721  -0.615
  486    HA   HIS 981           HA       HIS 981   8.193 -14.288   0.184
  487   1HB   HIS 981          HB1       HIS 981  10.375 -15.348   0.368
  488   2HB   HIS 981          HB2       HIS 981   9.119 -16.452   0.909
  489    HD1  HIS 981           HD1      HIS 981   8.983 -18.689  -0.231
  490    HD2  HIS 981           HD2      HIS 981  11.531 -16.051  -2.185
  491    HE1  HIS 981           HE1      HIS 981  10.125 -20.044  -2.012
  492    HE2  HIS 981           HE2      HIS 981  11.799 -18.476  -3.050
  493    H    ARG 982           H        ARG 982   8.150 -15.474  -3.068
  494    HA   ARG 982           HA       ARG 982  10.372 -13.799  -3.887
  495   1HB   ARG 982          HB1       ARG 982   9.883 -15.908  -5.086
  496   2HB   ARG 982          HB2       ARG 982   8.357 -15.225  -5.629
  497   1HG   ARG 982          HG1       ARG 982  10.011 -15.091  -7.385
  498   2HG   ARG 982          HG2       ARG 982   9.573 -13.474  -6.836
  499   1HD   ARG 982          HD1       ARG 982  11.992 -14.947  -5.814
  500   2HD   ARG 982          HD2       ARG 982  12.042 -13.911  -7.237
  501    HE   ARG 982           HE       ARG 982  11.188 -12.122  -5.624
  502   1HH1  ARG 982          2HH1      ARG 982  13.286 -14.762  -4.667
  503   2HH1  ARG 982          1HH1      ARG 982  14.017 -13.871  -3.366
  504   1HH2  ARG 982          2HH2      ARG 982  12.171 -10.937  -3.944
  505   2HH2  ARG 982          1HH2      ARG 982  13.387 -11.697  -2.953
  506    H    GLU 983           H        GLU 983   6.849 -13.816  -4.439
  507    HA   GLU 983           HA       GLU 983   6.867 -11.223  -5.613
  508   1HB   GLU 983          HB1       GLU 983   5.015 -13.165  -5.601
  509   2HB   GLU 983          HB2       GLU 983   4.389 -12.166  -4.297
  510   1HG   GLU 983          HG1       GLU 983   3.343 -11.140  -6.027
  511   2HG   GLU 983          HG2       GLU 983   4.871 -10.242  -6.069
  512    H    ILE 984           H        ILE 984   6.207 -12.446  -2.364
  513    HA   ILE 984           HA       ILE 984   5.000 -10.152  -1.357
  514    HB   ILE 984           HB       ILE 984   5.168 -12.475  -0.271
  515   1HG1  ILE 984          1HG1      ILE 984   4.109 -10.406   0.730
  516   2HG1  ILE 984          2HG1      ILE 984   4.636 -11.627   1.878
  517   1HG2  ILE 984          1HG2      ILE 984   7.697 -11.285   0.849
  518   2HG2  ILE 984          2HG2      ILE 984   6.912 -12.755   1.425
  519   3HG2  ILE 984          3HG2      ILE 984   7.578 -12.692  -0.207
  520   1HD1  ILE 984          1HD1      ILE 984   6.615 -10.304   2.382
  521   2HD1  ILE 984          2HD1      ILE 984   6.102  -9.084   1.217
  522   3HD1  ILE 984          3HD1      ILE 984   5.136  -9.386   2.662
  523    H    GLU 985           H        GLU 985   8.392 -11.022  -1.655
  524    HA   GLU 985           HA       GLU 985   9.297  -8.756  -0.172
  525   1HB   GLU 985          HB1       GLU 985  10.769 -10.672  -1.971
  526   2HB   GLU 985          HB2       GLU 985  11.552  -9.366  -1.091
  527   1HG   GLU 985          HG1       GLU 985  10.556 -10.366   1.009
  528   2HG   GLU 985          HG2       GLU 985  10.143 -11.768   0.025
  529    H    MET 986           H        MET 986   8.597  -9.337  -3.594
  530    HA   MET 986           HA       MET 986  10.101  -7.155  -4.545
  531   1HB   MET 986          HB1       MET 986   9.048  -7.355  -6.632
  532   2HB   MET 986          HB2       MET 986   9.166  -8.985  -5.995
  533   1HG   MET 986          HG1       MET 986   6.863  -9.066  -5.517
  534   2HG   MET 986          HG2       MET 986   6.676  -7.328  -5.756
  535   1HE   MET 986          HE1       MET 986   8.821  -9.738  -8.012
  536   2HE   MET 986          HE2       MET 986   7.474 -10.759  -7.507
  537   3HE   MET 986          HE3       MET 986   7.620 -10.266  -9.193
  538    H    ALA 987           H        ALA 987   6.671  -7.343  -3.654
  539    HA   ALA 987           HA       ALA 987   6.288  -4.545  -4.114
  540   1HB   ALA 987          HB1       ALA 987   4.484  -6.563  -2.801
  541   2HB   ALA 987          HB2       ALA 987   4.037  -4.919  -3.258
  542   3HB   ALA 987          HB3       ALA 987   4.465  -6.094  -4.501
  543    H    GLN 988           H        GLN 988   6.750  -6.651  -1.296
  544    HA   GLN 988           HA       GLN 988   6.120  -4.770   0.659
  545   1HB   GLN 988          HB1       GLN 988   6.387  -6.989   1.409
  546   2HB   GLN 988          HB2       GLN 988   7.959  -7.157   0.648
  547   1HG   GLN 988          HG1       GLN 988   8.450  -7.052   2.906
  548   2HG   GLN 988          HG2       GLN 988   8.763  -5.416   2.339
  549   1HE2  GLN 988          2HE2      GLN 988   5.922  -4.722   2.220
  550   2HE2  GLN 988          1HE2      GLN 988   5.418  -4.519   3.858
  551    H    LYS 989           H        LYS 989   9.273  -5.508  -0.825
  552    HA   LYS 989           HA       LYS 989  10.791  -3.545   0.504
  553   1HB   LYS 989          HB1       LYS 989  11.849  -5.319  -0.801
  554   2HB   LYS 989          HB2       LYS 989  11.111  -4.710  -2.277
  555   1HG   LYS 989          HG1       LYS 989  12.393  -2.573  -1.884
  556   2HG   LYS 989          HG2       LYS 989  13.279  -3.440  -0.629
  557   1HD   LYS 989          HD1       LYS 989  14.051  -5.060  -2.249
  558   2HD   LYS 989          HD2       LYS 989  13.088  -4.293  -3.514
  559   1HE   LYS 989          HE1       LYS 989  15.344  -2.994  -1.996
  560   2HE   LYS 989          HE2       LYS 989  15.462  -3.658  -3.623
  561   1HZ   LYS 989          HZ1       LYS 989  13.629  -1.447  -2.847
  562   2HZ   LYS 989          HZ2       LYS 989  15.146  -1.225  -3.564
  563   3HZ   LYS 989          HZ3       LYS 989  13.916  -2.020  -4.415
  564    H    LEU 990           H        LEU 990   8.713  -3.493  -2.274
  565    HA   LEU 990           HA       LEU 990   9.423  -0.939  -3.260
  566   1HB   LEU 990          HB1       LEU 990   8.426  -2.087  -4.916
  567   2HB   LEU 990          HB2       LEU 990   7.490  -3.064  -3.811
  568    HG   LEU 990           HG       LEU 990   5.892  -1.175  -3.591
  569   1HD1  LEU 990          1HD1      LEU 990   5.941   0.599  -5.275
  570   2HD1  LEU 990          2HD1      LEU 990   7.407   0.636  -4.294
  571   3HD1  LEU 990          3HD1      LEU 990   7.452  -0.044  -5.920
  572   1HD2  LEU 990          1HD2      LEU 990   4.846  -1.551  -5.780
  573   2HD2  LEU 990          2HD2      LEU 990   6.341  -2.296  -6.346
  574   3HD2  LEU 990          3HD2      LEU 990   5.422  -3.044  -5.038
  575    H    LEU 991           H        LEU 991   6.850  -2.093  -1.101
  576    HA   LEU 991           HA       LEU 991   5.323   0.256  -0.940
  577   1HB   LEU 991          HB1       LEU 991   5.800  -1.695   1.306
  578   2HB   LEU 991          HB2       LEU 991   4.427  -0.627   1.109
  579    HG   LEU 991           HG       LEU 991   4.897  -2.618  -1.028
  580   1HD1  LEU 991          1HD1      LEU 991   5.332  -3.837   1.079
  581   2HD1  LEU 991          2HD1      LEU 991   3.755  -3.318   1.677
  582   3HD1  LEU 991          3HD1      LEU 991   3.858  -4.382   0.273
  583   1HD2  LEU 991          1HD2      LEU 991   2.999  -1.033  -1.076
  584   2HD2  LEU 991          2HD2      LEU 991   2.453  -2.700  -0.977
  585   3HD2  LEU 991          3HD2      LEU 991   2.433  -1.677   0.459
  586    H    ASN 992           H        ASN 992   7.862  -0.997   1.201
  587    HA   ASN 992           HA       ASN 992   7.641   1.029   3.101
  588   1HB   ASN 992          HB1       ASN 992   9.906  -0.854   2.423
  589   2HB   ASN 992          HB2       ASN 992   9.905   0.200   3.826
  590   1HD2  ASN 992          2HD2      ASN 992  10.038  -1.607   5.195
  591   2HD2  ASN 992          1HD2      ASN 992   8.654  -2.605   5.496
  592    H    SER 993           H        SER 993   9.497   0.797   0.132
  593    HA   SER 993           HA       SER 993  11.152   3.039   0.747
  594   1HB   SER 993          HB1       SER 993  11.703   2.911  -1.742
  595   2HB   SER 993          HB2       SER 993  12.100   1.504  -0.761
  596    HG   SER 993           HG       SER 993   9.567   1.459  -1.879
  597    H    ASP 994           H        ASP 994   8.032   2.678  -0.940
  598    HA   ASP 994           HA       ASP 994   8.326   5.491  -1.766
  599   1HB   ASP 994          HB1       ASP 994   6.614   3.309  -2.937
  600   2HB   ASP 994          HB2       ASP 994   6.445   5.006  -3.376
  601    H    LEU 995           H        LEU 995   6.203   3.314   0.035
  602    HA   LEU 995           HA       LEU 995   4.212   5.193   0.693
  603   1HB   LEU 995          HB1       LEU 995   4.759   2.600   1.512
  604   2HB   LEU 995          HB2       LEU 995   5.110   3.516   2.959
  605    HG   LEU 995           HG       LEU 995   2.902   2.786   3.171
  606   1HD1  LEU 995          1HD1      LEU 995   3.208   5.077   3.855
  607   2HD1  LEU 995          2HD1      LEU 995   2.839   5.638   2.225
  608   3HD1  LEU 995          3HD1      LEU 995   1.592   4.847   3.190
  609   1HD2  LEU 995          1HD2      LEU 995   2.491   2.134   0.875
  610   2HD2  LEU 995          2HD2      LEU 995   1.175   3.140   1.478
  611   3HD2  LEU 995          3HD2      LEU 995   2.384   3.828   0.394
  612    H    ALA 996           H        ALA 996   7.378   4.506   2.051
  613    HA   ALA 996           HA       ALA 996   7.389   6.553   3.996
  614   1HB   ALA 996          HB1       ALA 996   9.747   5.357   2.554
  615   2HB   ALA 996          HB2       ALA 996   9.826   6.352   4.008
  616   3HB   ALA 996          HB3       ALA 996   9.041   4.770   4.062
  617    H    GLU 997           H        GLU 997   8.665   6.547   0.652
  618    HA   GLU 997           HA       GLU 997   9.491   9.142   0.589
  619   1HB   GLU 997          HB1       GLU 997   9.759   7.673  -1.361
  620   2HB   GLU 997          HB2       GLU 997   8.024   7.748  -1.662
  621   1HG   GLU 997          HG1       GLU 997   8.177  10.147  -2.010
  622   2HG   GLU 997          HG2       GLU 997   9.906  10.095  -1.698
  623    H    LEU 998           H        LEU 998   6.127   8.003   0.211
  624    HA   LEU 998           HA       LEU 998   5.246  10.596  -0.557
  625   1HB   LEU 998          HB1       LEU 998   3.986   8.496  -1.064
  626   2HB   LEU 998          HB2       LEU 998   3.517   8.432   0.627
  627    HG   LEU 998           HG       LEU 998   2.439  10.662   0.371
  628   1HD1  LEU 998          1HD1      LEU 998   3.755  11.484  -1.499
  629   2HD1  LEU 998          2HD1      LEU 998   3.056  10.252  -2.550
  630   3HD1  LEU 998          3HD1      LEU 998   2.034  11.522  -1.878
  631   1HD2  LEU 998          1HD2      LEU 998   1.091   8.646   0.203
  632   2HD2  LEU 998          2HD2      LEU 998   0.502   9.884  -0.907
  633   3HD2  LEU 998          3HD2      LEU 998   1.452   8.532  -1.521
  634    H    ILE 999           H        ILE 999   5.446   8.943   2.587
  635    HA   ILE 999           HA       ILE 999   3.897  10.834   3.977
  636    HB   ILE 999           HB       ILE 999   4.868  10.061   6.047
  637   1HG1  ILE 999          1HG1      ILE 999   6.856   8.525   4.360
  638   2HG1  ILE 999          2HG1      ILE 999   7.227   9.943   5.334
  639   1HG2  ILE 999          1HG2      ILE 999   3.181   8.669   5.033
  640   2HG2  ILE 999          2HG2      ILE 999   4.405   7.811   4.099
  641   3HG2  ILE 999          3HG2      ILE 999   4.371   7.662   5.856
  642   1HD1  ILE 999          1HD1      ILE 999   6.271   7.285   6.372
  643   2HD1  ILE 999          2HD1      ILE 999   7.913   7.921   6.466
  644   3HD1  ILE 999          3HD1      ILE 999   6.609   8.709   7.354
  645    H    ASN1000           H        ASN1000   7.239  10.848   3.010
  646    HA   ASN1000           HA       ASN1000   7.714  13.380   4.372
  647   1HB   ASN1000          HB1       ASN1000   9.842  12.648   4.425
  648   2HB   ASN1000          HB2       ASN1000   9.257  11.140   3.732
  649   1HD2  ASN1000          2HD2      ASN1000   9.230  10.971   1.403
  650   2HD2  ASN1000          1HD2      ASN1000  10.502  11.744   0.509
  651    H    LYS1001           H        LYS1001   6.628  12.298   1.361
  652    HA   LYS1001           HA       LYS1001   7.567  14.604  -0.127
  653   1HB   LYS1001          HB1       LYS1001   5.852  12.237  -0.820
  654   2HB   LYS1001          HB2       LYS1001   5.911  13.640  -1.878
  655   1HG   LYS1001          HG1       LYS1001   8.403  12.226  -0.986
  656   2HG   LYS1001          HG2       LYS1001   7.485  11.708  -2.400
  657   1HD   LYS1001          HD1       LYS1001   8.332  14.565  -2.116
  658   2HD   LYS1001          HD2       LYS1001   9.475  13.351  -2.702
  659   1HE   LYS1001          HE1       LYS1001   6.744  13.798  -3.892
  660   2HE   LYS1001          HE2       LYS1001   8.210  14.575  -4.492
  661   1HZ   LYS1001          HZ1       LYS1001   7.783  11.631  -4.338
  662   2HZ   LYS1001          HZ2       LYS1001   7.658  12.567  -5.743
  663   3HZ   LYS1001          HZ3       LYS1001   9.148  12.412  -4.964
  664    H    MET1002           H        MET1002   4.629  13.480   1.441
  665    HA   MET1002           HA       MET1002   3.072  15.753   0.644
  666   1HB   MET1002          HB1       MET1002   2.684  13.964   3.047
  667   2HB   MET1002          HB2       MET1002   1.469  14.962   2.256
  668   1HG   MET1002          HG1       MET1002   2.874  12.619   1.000
  669   2HG   MET1002          HG2       MET1002   1.261  12.575   1.722
  670   1HE   MET1002          HE1       MET1002  -0.784  14.077   0.795
  671   2HE   MET1002          HE2       MET1002   0.251  15.503   0.848
  672   3HE   MET1002          HE3       MET1002  -0.645  15.117  -0.622
  673    H    LYS1003           H        LYS1003   4.762  14.737   3.556
  674    HA   LYS1003           HA       LYS1003   4.834  17.063   5.006
  675   1HB   LYS1003          HB1       LYS1003   5.786  14.909   5.735
  676   2HB   LYS1003          HB2       LYS1003   7.071  15.078   4.549
  677   1HG   LYS1003          HG1       LYS1003   7.836  17.106   5.716
  678   2HG   LYS1003          HG2       LYS1003   6.596  16.833   6.943
  679   1HD   LYS1003          HD1       LYS1003   7.631  14.548   7.287
  680   2HD   LYS1003          HD2       LYS1003   8.971  15.103   6.282
  681   1HE   LYS1003          HE1       LYS1003   9.593  15.434   8.560
  682   2HE   LYS1003          HE2       LYS1003   9.258  17.019   7.862
  683   1HZ   LYS1003          HZ1       LYS1003   7.389  15.442   9.549
  684   2HZ   LYS1003          HZ2       LYS1003   8.275  16.792  10.059
  685   3HZ   LYS1003          HZ3       LYS1003   7.067  16.969   8.884
  686    H    LEU1004           H        LEU1004   7.027  16.051   2.385
  687    HA   LEU1004           HA       LEU1004   8.544  18.327   2.135
  688   1HB   LEU1004          HB1       LEU1004   8.762  16.111   0.924
  689   2HB   LEU1004          HB2       LEU1004   7.587  16.730  -0.218
  690    HG   LEU1004           HG       LEU1004   9.118  18.587  -0.776
  691   1HD1  LEU1004          1HD1      LEU1004  11.440  18.508   0.002
  692   2HD1  LEU1004          2HD1      LEU1004  10.313  18.733   1.341
  693   3HD1  LEU1004          3HD1      LEU1004  11.037  17.151   1.054
  694   1HD2  LEU1004          1HD2      LEU1004  10.760  17.248  -2.001
  695   2HD2  LEU1004          2HD2      LEU1004  10.335  15.839  -1.030
  696   3HD2  LEU1004          3HD2      LEU1004   9.143  16.552  -2.117
  697    H    ALA1005           H        ALA1005   5.476  17.698   0.355
  698    HA   ALA1005           HA       ALA1005   5.351  20.183  -0.936
  699   1HB   ALA1005          HB1       ALA1005   2.940  19.777  -1.140
  700   2HB   ALA1005          HB2       ALA1005   3.870  18.324  -1.506
  701   3HB   ALA1005          HB3       ALA1005   3.057  18.482   0.052
  702    H    GLN1006           H        GLN1006   4.223  19.132   2.192
  703    HA   GLN1006           HA       GLN1006   3.178  21.552   3.186
  704   1HB   GLN1006          HB1       GLN1006   2.920  19.195   4.069
  705   2HB   GLN1006          HB2       GLN1006   4.558  19.305   4.675
  706   1HG   GLN1006          HG1       GLN1006   2.541  21.313   5.537
  707   2HG   GLN1006          HG2       GLN1006   2.515  19.686   6.214
  708   1HE2  GLN1006          2HE2      GLN1006   4.198  22.714   6.108
  709   2HE2  GLN1006          1HE2      GLN1006   5.330  22.358   7.364
  710    H    GLN1007           H        GLN1007   6.381  20.250   2.884
  711    HA   GLN1007           HA       GLN1007   7.658  21.990   4.735
  712   1HB   GLN1007          HB1       GLN1007   8.265  19.553   3.839
  713   2HB   GLN1007          HB2       GLN1007   9.155  20.488   2.645
  714   1HG   GLN1007          HG1       GLN1007  10.755  20.094   4.230
  715   2HG   GLN1007          HG2       GLN1007  10.169  21.687   4.707
  716   1HE2  GLN1007          2HE2      GLN1007   7.647  20.425   5.757
  717   2HE2  GLN1007          1HE2      GLN1007   8.108  19.757   7.285
  718    H    TYR1008           H        TYR1008   6.930  21.983   1.391
  719    HA   TYR1008           HA       TYR1008   8.649  24.199   0.725
  720   1HB   TYR1008          HB1       TYR1008   7.653  22.304  -0.806
  721   2HB   TYR1008          HB2       TYR1008   6.259  23.371  -0.888
  722    HD1  TYR1008           HD1      TYR1008   9.799  24.444  -0.767
  723    HD2  TYR1008           HD2      TYR1008   6.333  23.931  -3.184
  724    HE1  TYR1008           HE1      TYR1008  10.901  25.665  -2.594
  725    HE2  TYR1008           HE2      TYR1008   7.422  25.165  -5.014
  726    HH   TYR1008           HH       TYR1008  10.714  25.795  -5.100
  727    H    VAL1009           H        VAL1009   5.138  23.731   0.679
  728    HA   VAL1009           HA       VAL1009   3.410  25.224   0.773
  729    HB   VAL1009           HB       VAL1009   3.831  24.375   3.074
  730   1HG1  VAL1009          1HG1      VAL1009   4.676  25.980   4.772
  731   2HG1  VAL1009          2HG1      VAL1009   5.906  25.419   3.639
  732   3HG1  VAL1009          3HG1      VAL1009   5.206  27.027   3.455
  733   1HG2  VAL1009          1HG2      VAL1009   2.600  27.115   2.868
  734   2HG2  VAL1009          2HG2      VAL1009   1.799  25.574   2.565
  735   3HG2  VAL1009          3HG2      VAL1009   2.346  25.980   4.194
  736    H    MET1010           H        MET1010   5.325  26.380  -0.813
  737    HA   MET1010           HA       MET1010   5.966  29.015   0.170
  738   1HB   MET1010          HB1       MET1010   7.484  27.700  -1.323
  739   2HB   MET1010          HB2       MET1010   6.323  27.915  -2.625
  740   1HG   MET1010          HG1       MET1010   6.664  30.283  -2.633
  741   2HG   MET1010          HG2       MET1010   7.664  30.193  -1.185
  742   1HE   MET1010          HE1       MET1010   9.552  27.758  -1.636
  743   2HE   MET1010          HE2       MET1010  10.919  28.526  -2.444
  744   3HE   MET1010          HE3       MET1010  10.109  29.348  -1.109
  745    H    THR1011           H        THR1011   3.156  27.881  -0.597
  746    HA   THR1011           HA       THR1011   1.174  28.565  -1.401
  747    HB   THR1011           HB       THR1011   0.672  31.020  -1.296
  748    HG1  THR1011           HG1      THR1011   3.365  31.187  -1.265
  749   1HG2  THR1011          1HG2      THR1011   1.997  29.803   1.126
  750   2HG2  THR1011          2HG2      THR1011   0.863  31.154   1.141
  751   3HG2  THR1011          3HG2      THR1011   0.325  29.556   0.624
  752    H    SER1012           H        SER1012   0.364  28.382  -3.310
  753    HA   SER1012           HA       SER1012  -0.038  28.588  -5.527
  754   1HB   SER1012          HB1       SER1012   1.853  30.949  -5.417
  755   2HB   SER1012          HB2       SER1012   0.846  30.515  -6.799
  756    HG   SER1012           HG       SER1012   0.102  31.552  -4.289
  757    H    LEU1013           H        LEU1013   3.441  29.335  -5.048
  758    HA   LEU1013           HA       LEU1013   4.214  27.692  -7.262
  759   1HB   LEU1013          HB1       LEU1013   5.503  29.668  -6.415
  760   2HB   LEU1013          HB2       LEU1013   5.944  28.721  -5.009
  761    HG   LEU1013           HG       LEU1013   7.140  27.130  -6.445
  762   1HD1  LEU1013          1HD1      LEU1013   7.496  27.610  -8.804
  763   2HD1  LEU1013          2HD1      LEU1013   5.782  27.380  -8.460
  764   3HD1  LEU1013          3HD1      LEU1013   6.423  29.006  -8.694
  765   1HD2  LEU1013          1HD2      LEU1013   8.331  29.045  -5.496
  766   2HD2  LEU1013          2HD2      LEU1013   8.992  28.581  -7.063
  767   3HD2  LEU1013          3HD2      LEU1013   7.945  29.995  -6.931
  768    H    GLN1014           H        GLN1014   3.199  26.994  -4.172
  769    HA   GLN1014           HA       GLN1014   4.737  24.649  -3.635
  770   1HB   GLN1014          HB1       GLN1014   3.550  25.893  -1.882
  771   2HB   GLN1014          HB2       GLN1014   2.013  25.506  -2.635
  772   1HG   GLN1014          HG1       GLN1014   3.651  23.171  -1.970
  773   2HG   GLN1014          HG2       GLN1014   3.143  24.134  -0.585
  774   1HE2  GLN1014          2HE2      GLN1014   2.123  22.057  -3.152
  775   2HE2  GLN1014          1HE2      GLN1014   0.486  21.873  -2.630
  776    H    GLN1015           H        GLN1015   2.351  25.398  -5.831
  777    HA   GLN1015           HA       GLN1015   0.708  23.129  -5.869
  778   1HB   GLN1015          HB1       GLN1015  -0.147  25.021  -6.907
  779   2HB   GLN1015          HB2       GLN1015   1.330  25.308  -7.792
  780   1HG   GLN1015          HG1       GLN1015  -0.263  24.633  -9.378
  781   2HG   GLN1015          HG2       GLN1015   0.798  23.249  -9.138
  782   1HE2  GLN1015          2HE2      GLN1015  -0.002  21.408  -8.173
  783   2HE2  GLN1015          1HE2      GLN1015  -1.696  21.149  -7.929
  784    H    GLU1016           H        GLU1016   3.656  23.882  -7.778
  785    HA   GLU1016           HA       GLU1016   3.786  21.495  -9.160
  786   1HB   GLU1016          HB1       GLU1016   6.274  21.742  -8.923
  787   2HB   GLU1016          HB2       GLU1016   5.430  23.054  -9.722
  788   1HG   GLU1016          HG1       GLU1016   5.590  24.368  -7.683
  789   2HG   GLU1016          HG2       GLU1016   6.369  23.011  -6.863
  790    H    TYR1017           H        TYR1017   4.573  22.163  -5.841
  791    HA   TYR1017           HA       TYR1017   5.801  19.631  -5.331
  792   1HB   TYR1017          HB1       TYR1017   5.236  22.054  -3.841
  793   2HB   TYR1017          HB2       TYR1017   4.886  20.634  -2.874
  794    HD1  TYR1017           HD1      TYR1017   6.725  20.487  -1.343
  795    HD2  TYR1017           HD2      TYR1017   7.454  21.150  -5.498
  796    HE1  TYR1017           HE1      TYR1017   9.137  20.195  -0.981
  797    HE2  TYR1017           HE2      TYR1017   9.858  20.868  -5.130
  798    HH   TYR1017           HH       TYR1017  11.152  19.575  -2.289
  799    H    LYS1018           H        LYS1018   2.652  20.930  -5.462
  800    HA   LYS1018           HA       LYS1018   1.296  18.647  -4.334
  801   1HB   LYS1018          HB1       LYS1018   0.301  20.904  -4.286
  802   2HB   LYS1018          HB2       LYS1018   0.223  20.908  -6.039
  803   1HG   LYS1018          HG1       LYS1018  -1.351  19.049  -5.981
  804   2HG   LYS1018          HG2       LYS1018  -1.259  19.023  -4.220
  805   1HD   LYS1018          HD1       LYS1018  -2.143  21.309  -4.144
  806   2HD   LYS1018          HD2       LYS1018  -2.246  21.325  -5.905
  807   1HE   LYS1018          HE1       LYS1018  -3.701  19.374  -4.124
  808   2HE   LYS1018          HE2       LYS1018  -4.408  20.857  -4.757
  809   1HZ   LYS1018          HZ1       LYS1018  -3.381  18.593  -6.395
  810   2HZ   LYS1018          HZ2       LYS1018  -5.011  18.948  -6.102
  811   3HZ   LYS1018          HZ3       LYS1018  -4.064  20.024  -7.001
  812    H    LYS1019           H        LYS1019   2.488  19.572  -7.460
  813    HA   LYS1019           HA       LYS1019   0.990  17.636  -8.949
  814   1HB   LYS1019          HB1       LYS1019   2.065  19.710  -9.921
  815   2HB   LYS1019          HB2       LYS1019   3.618  18.911  -9.724
  816   1HG   LYS1019          HG1       LYS1019   2.796  17.078 -11.186
  817   2HG   LYS1019          HG2       LYS1019   1.335  18.024 -11.473
  818   1HD   LYS1019          HD1       LYS1019   2.819  18.416 -13.302
  819   2HD   LYS1019          HD2       LYS1019   2.806  19.875 -12.309
  820   1HE   LYS1019          HE1       LYS1019   4.882  19.108 -11.216
  821   2HE   LYS1019          HE2       LYS1019   4.905  17.711 -12.290
  822   1HZ   LYS1019          HZ1       LYS1019   6.345  19.318 -13.205
  823   2HZ   LYS1019          HZ2       LYS1019   4.950  19.336 -14.172
  824   3HZ   LYS1019          HZ3       LYS1019   5.205  20.566 -13.031
  825    H    GLN1020           H        GLN1020   4.444  17.837  -8.050
  826    HA   GLN1020           HA       GLN1020   5.169  15.206  -8.406
  827   1HB   GLN1020          HB1       GLN1020   6.061  17.285  -6.442
  828   2HB   GLN1020          HB2       GLN1020   6.658  15.641  -6.279
  829   1HG   GLN1020          HG1       GLN1020   8.258  16.889  -7.509
  830   2HG   GLN1020          HG2       GLN1020   7.474  15.776  -8.625
  831   1HE2  GLN1020          2HE2      GLN1020   7.932  19.081  -7.718
  832   2HE2  GLN1020          1HE2      GLN1020   7.201  19.781  -9.117
  833    H    MET1021           H        MET1021   3.303  16.615  -5.806
  834    HA   MET1021           HA       MET1021   3.174  14.493  -4.014
  835   1HB   MET1021          HB1       MET1021   2.225  16.668  -3.510
  836   2HB   MET1021          HB2       MET1021   1.049  16.491  -4.804
  837   1HG   MET1021          HG1       MET1021   0.295  14.395  -3.490
  838   2HG   MET1021          HG2       MET1021   1.151  15.145  -2.145
  839   1HE   MET1021          HE1       MET1021  -2.604  16.755  -4.248
  840   2HE   MET1021          HE2       MET1021  -1.075  16.561  -5.108
  841   3HE   MET1021          HE3       MET1021  -1.908  15.149  -4.459
  842    H    LEU1022           H        LEU1022   1.152  15.185  -6.843
  843    HA   LEU1022           HA       LEU1022  -0.603  12.999  -6.526
  844   1HB   LEU1022          HB1       LEU1022  -0.810  15.153  -7.969
  845   2HB   LEU1022          HB2       LEU1022   0.061  14.243  -9.185
  846    HG   LEU1022           HG       LEU1022  -2.412  14.270  -9.496
  847   1HD1  LEU1022          1HD1      LEU1022  -2.658  11.874  -9.937
  848   2HD1  LEU1022          2HD1      LEU1022  -1.107  12.497 -10.501
  849   3HD1  LEU1022          3HD1      LEU1022  -1.192  11.562  -9.008
  850   1HD2  LEU1022          1HD2      LEU1022  -3.787  12.869  -8.033
  851   2HD2  LEU1022          2HD2      LEU1022  -2.398  12.619  -6.977
  852   3HD2  LEU1022          3HD2      LEU1022  -3.082  14.233  -7.166
  853    H    THR1023           H        THR1023   2.240  13.461  -8.621
  854    HA   THR1023           HA       THR1023   2.238  10.923  -9.800
  855    HB   THR1023           HB       THR1023   4.664  12.625  -9.195
  856    HG1  THR1023           HG1      THR1023   4.046  13.894 -10.803
  857   1HG2  THR1023          1HG2      THR1023   5.605  11.561 -11.189
  858   2HG2  THR1023          2HG2      THR1023   5.187  10.355  -9.972
  859   3HG2  THR1023          3HG2      THR1023   4.142  10.593 -11.371
  860    H    ALA1024           H        ALA1024   3.611  12.055  -6.762
  861    HA   ALA1024           HA       ALA1024   5.041   9.627  -6.217
  862   1HB   ALA1024          HB1       ALA1024   4.227  11.801  -4.294
  863   2HB   ALA1024          HB2       ALA1024   5.440  10.552  -4.018
  864   3HB   ALA1024          HB3       ALA1024   5.712  11.789  -5.245
  865    H    ALA1025           H        ALA1025   1.928  10.993  -5.258
  866    HA   ALA1025           HA       ALA1025   1.181   8.940  -3.472
  867   1HB   ALA1025          HB1       ALA1025   0.056  11.102  -3.505
  868   2HB   ALA1025          HB2       ALA1025  -0.567  10.764  -5.121
  869   3HB   ALA1025          HB3       ALA1025  -1.099   9.792  -3.749
  870    H    HIS1026           H        HIS1026   0.879   9.302  -6.965
  871    HA   HIS1026           HA       HIS1026  -0.744   6.976  -7.261
  872   1HB   HIS1026          HB1       HIS1026  -0.818   8.713  -8.975
  873   2HB   HIS1026          HB2       HIS1026   0.896   8.486  -9.309
  874    HD1  HIS1026           HD1      HIS1026  -2.447   6.800  -9.791
  875    HD2  HIS1026           HD2      HIS1026   1.514   6.398 -11.009
  876    HE1  HIS1026           HE1      HIS1026  -2.460   5.052 -11.607
  877    HE2  HIS1026           HE2      HIS1026  -0.031   4.680 -12.170
  878    H    ALA1027           H        ALA1027   2.721   7.634  -7.521
  879    HA   ALA1027           HA       ALA1027   3.553   5.066  -8.271
  880   1HB   ALA1027          HB1       ALA1027   4.934   7.038  -6.441
  881   2HB   ALA1027          HB2       ALA1027   5.695   5.643  -7.207
  882   3HB   ALA1027          HB3       ALA1027   5.086   6.970  -8.197
  883    H    LEU1028           H        LEU1028   3.022   6.510  -5.105
  884    HA   LEU1028           HA       LEU1028   3.509   4.326  -3.451
  885   1HB   LEU1028          HB1       LEU1028   3.198   6.494  -2.533
  886   2HB   LEU1028          HB2       LEU1028   1.612   6.647  -3.250
  887    HG   LEU1028           HG       LEU1028   1.760   4.375  -1.434
  888   1HD1  LEU1028          1HD1      LEU1028   1.883   5.707   0.613
  889   2HD1  LEU1028          2HD1      LEU1028   3.391   5.781  -0.299
  890   3HD1  LEU1028          3HD1      LEU1028   2.266   7.139  -0.341
  891   1HD2  LEU1028          1HD2      LEU1028  -0.267   5.415  -0.551
  892   2HD2  LEU1028          2HD2      LEU1028   0.041   6.855  -1.522
  893   3HD2  LEU1028          3HD2      LEU1028  -0.316   5.318  -2.311
  894    H    ALA1029           H        ALA1029   0.481   5.411  -4.880
  895    HA   ALA1029           HA       ALA1029  -1.166   3.377  -4.057
  896   1HB   ALA1029          HB1       ALA1029  -1.956   5.351  -5.276
  897   2HB   ALA1029          HB2       ALA1029  -1.252   4.711  -6.762
  898   3HB   ALA1029          HB3       ALA1029  -2.583   3.859  -5.978
  899    H    VAL1030           H        VAL1030   1.254   3.272  -6.606
  900    HA   VAL1030           HA       VAL1030   0.435   0.749  -7.671
  901    HB   VAL1030           HB       VAL1030   3.143   2.093  -7.847
  902   1HG1  VAL1030          1HG1      VAL1030   1.950  -0.174  -9.445
  903   2HG1  VAL1030          2HG1      VAL1030   3.463   0.649  -9.823
  904   3HG1  VAL1030          3HG1      VAL1030   3.311  -0.274  -8.329
  905   1HG2  VAL1030          1HG2      VAL1030   2.418   2.867 -10.033
  906   2HG2  VAL1030          2HG2      VAL1030   0.845   2.103  -9.802
  907   3HG2  VAL1030          3HG2      VAL1030   1.330   3.455  -8.778
  908    H    ASP1031           H        ASP1031   2.667   1.772  -5.131
  909    HA   ASP1031           HA       ASP1031   3.871  -0.618  -4.422
  910   1HB   ASP1031          HB1       ASP1031   2.654   1.409  -2.520
  911   2HB   ASP1031          HB2       ASP1031   3.808   0.169  -2.073
  912    H    ALA1032           H        ALA1032   0.697   0.604  -3.464
  913    HA   ALA1032           HA       ALA1032  -0.149  -1.702  -2.072
  914   1HB   ALA1032          HB1       ALA1032  -2.379  -0.758  -2.220
  915   2HB   ALA1032          HB2       ALA1032  -1.208   0.493  -1.805
  916   3HB   ALA1032          HB3       ALA1032  -1.836   0.384  -3.449
  917    H    LYS1033           H        LYS1033  -0.673  -0.596  -5.425
  918    HA   LYS1033           HA       LYS1033  -2.489  -2.616  -6.127
  919   1HB   LYS1033          HB1       LYS1033  -0.641  -0.975  -7.856
  920   2HB   LYS1033          HB2       LYS1033  -1.881  -2.048  -8.492
  921   1HG   LYS1033          HG1       LYS1033  -3.562  -0.727  -7.193
  922   2HG   LYS1033          HG2       LYS1033  -2.272   0.419  -6.824
  923   1HD   LYS1033          HD1       LYS1033  -1.920   0.771  -9.228
  924   2HD   LYS1033          HD2       LYS1033  -3.242  -0.345  -9.577
  925   1HE   LYS1033          HE1       LYS1033  -4.716   1.172  -8.196
  926   2HE   LYS1033          HE2       LYS1033  -3.387   2.332  -8.208
  927   1HZ   LYS1033          HZ1       LYS1033  -3.468   2.229 -10.673
  928   2HZ   LYS1033          HZ2       LYS1033  -4.866   1.281 -10.554
  929   3HZ   LYS1033          HZ3       LYS1033  -4.872   2.873  -9.973
  930    H    ASN1034           H        ASN1034   1.046  -2.503  -6.369
  931    HA   ASN1034           HA       ASN1034   1.207  -4.989  -7.751
  932   1HB   ASN1034          HB1       ASN1034   3.037  -3.254  -7.723
  933   2HB   ASN1034          HB2       ASN1034   3.385  -3.743  -6.066
  934   1HD2  ASN1034          2HD2      ASN1034   5.462  -4.451  -6.607
  935   2HD2  ASN1034          1HD2      ASN1034   5.737  -5.900  -7.505
  936    H    LEU1035           H        LEU1035   1.139  -4.050  -4.363
  937    HA   LEU1035           HA       LEU1035   1.955  -6.684  -3.462
  938   1HB   LEU1035          HB1       LEU1035   2.607  -4.793  -2.083
  939   2HB   LEU1035          HB2       LEU1035   0.922  -4.292  -1.915
  940    HG   LEU1035           HG       LEU1035   0.572  -6.586  -0.789
  941   1HD1  LEU1035          1HD1      LEU1035   2.679  -7.584  -1.476
  942   2HD1  LEU1035          2HD1      LEU1035   3.568  -6.350  -0.582
  943   3HD1  LEU1035          3HD1      LEU1035   2.561  -7.512   0.282
  944   1HD2  LEU1035          1HD2      LEU1035   0.469  -4.496   0.421
  945   2HD2  LEU1035          2HD2      LEU1035   1.324  -5.708   1.373
  946   3HD2  LEU1035          3HD2      LEU1035   2.229  -4.448   0.534
  947    H    LEU1036           H        LEU1036  -1.079  -4.992  -4.029
  948    HA   LEU1036           HA       LEU1036  -2.716  -6.862  -2.655
  949   1HB   LEU1036          HB1       LEU1036  -4.610  -5.886  -3.755
  950   2HB   LEU1036          HB2       LEU1036  -3.530  -4.605  -3.263
  951    HG   LEU1036           HG       LEU1036  -2.707  -4.670  -5.733
  952   1HD1  LEU1036          1HD1      LEU1036  -4.458  -5.315  -7.324
  953   2HD1  LEU1036          2HD1      LEU1036  -3.870  -6.702  -6.408
  954   3HD1  LEU1036          3HD1      LEU1036  -5.421  -5.969  -5.999
  955   1HD2  LEU1036          1HD2      LEU1036  -5.419  -3.618  -4.941
  956   2HD2  LEU1036          2HD2      LEU1036  -3.870  -2.805  -4.716
  957   3HD2  LEU1036          3HD2      LEU1036  -4.487  -3.091  -6.342
  958    H    ASP1037           H        ASP1037  -1.196  -6.737  -5.660
  959    HA   ASP1037           HA       ASP1037  -2.454  -9.106  -6.719
  960   1HB   ASP1037          HB1       ASP1037  -1.554  -7.368  -8.233
  961   2HB   ASP1037          HB2       ASP1037   0.062  -7.668  -7.605
  962    H    VAL1038           H        VAL1038   0.635  -8.185  -5.296
  963    HA   VAL1038           HA       VAL1038   1.981 -10.595  -5.247
  964    HB   VAL1038           HB       VAL1038   1.990  -8.258  -3.356
  965   1HG1  VAL1038          1HG1      VAL1038   2.591 -10.206  -2.032
  966   2HG1  VAL1038          2HG1      VAL1038   3.788 -10.674  -3.241
  967   3HG1  VAL1038          3HG1      VAL1038   4.001  -9.186  -2.317
  968   1HG2  VAL1038          1HG2      VAL1038   2.908  -7.897  -5.579
  969   2HG2  VAL1038          2HG2      VAL1038   4.183  -7.855  -4.361
  970   3HG2  VAL1038          3HG2      VAL1038   3.978  -9.283  -5.375
  971    H    ILE1039           H        ILE1039   0.071  -9.292  -2.515
  972    HA   ILE1039           HA       ILE1039   0.335 -11.816  -1.169
  973    HB   ILE1039           HB       ILE1039  -0.878 -10.746   0.720
  974   1HG1  ILE1039          1HG1      ILE1039  -0.706  -8.331  -1.085
  975   2HG1  ILE1039          2HG1      ILE1039  -2.159  -9.045  -0.393
  976   1HG2  ILE1039          1HG2      ILE1039   1.604  -9.392  -0.317
  977   2HG2  ILE1039          2HG2      ILE1039   1.030  -9.329   1.349
  978   3HG2  ILE1039          3HG2      ILE1039   1.532 -10.868   0.648
  979   1HD1  ILE1039          1HD1      ILE1039   0.038  -7.676   1.140
  980   2HD1  ILE1039          2HD1      ILE1039  -1.544  -6.999   0.755
  981   3HD1  ILE1039          3HD1      ILE1039  -1.417  -8.388   1.835
  982    H    ASP1040           H        ASP1040  -2.400 -10.054  -2.706
  983    HA   ASP1040           HA       ASP1040  -4.234 -12.108  -2.158
  984   1HB   ASP1040          HB1       ASP1040  -4.926 -10.101  -3.419
  985   2HB   ASP1040          HB2       ASP1040  -3.999 -10.666  -4.807
  986    H    GLN1041           H        GLN1041  -1.515 -12.028  -4.389
  987    HA   GLN1041           HA       GLN1041  -2.088 -14.737  -5.194
  988   1HB   GLN1041          HB1       GLN1041   0.372 -13.043  -5.585
  989   2HB   GLN1041          HB2       GLN1041   0.299 -14.735  -6.051
  990   1HG   GLN1041          HG1       GLN1041  -1.604 -14.199  -7.533
  991   2HG   GLN1041          HG2       GLN1041  -1.397 -12.495  -7.125
  992   1HE2  GLN1041          2HE2      GLN1041  -0.880 -11.854  -9.188
  993   2HE2  GLN1041          1HE2      GLN1041   0.614 -12.278  -9.948
  994    H    ALA1042           H        ALA1042  -0.352 -13.203  -2.594
  995    HA   ALA1042           HA       ALA1042   1.136 -15.359  -1.703
  996   1HB   ALA1042          HB1       ALA1042  -0.332 -13.362   0.011
  997   2HB   ALA1042          HB2       ALA1042   0.985 -14.409   0.539
  998   3HB   ALA1042          HB3       ALA1042   1.284 -13.153  -0.665
  999    H    ARG1043           H        ARG1043  -2.179 -14.458  -0.789
 1000    HA   ARG1043           HA       ARG1043  -2.791 -16.771   0.620
 1001   1HB   ARG1043          HB1       ARG1043  -5.143 -16.226   0.238
 1002   2HB   ARG1043          HB2       ARG1043  -4.216 -14.808   0.680
 1003   1HG   ARG1043          HG1       ARG1043  -5.557 -13.982  -0.961
 1004   2HG   ARG1043          HG2       ARG1043  -4.115 -14.408  -1.879
 1005   1HD   ARG1043          HD1       ARG1043  -5.200 -16.559  -2.485
 1006   2HD   ARG1043          HD2       ARG1043  -6.660 -16.016  -1.658
 1007    HE   ARG1043           HE       ARG1043  -6.159 -14.001  -3.390
 1008   1HH1  ARG1043          2HH1      ARG1043  -6.557 -17.461  -3.795
 1009   2HH1  ARG1043          1HH1      ARG1043  -7.013 -17.344  -5.465
 1010   1HH2  ARG1043          2HH2      ARG1043  -6.710 -13.840  -5.577
 1011   2HH2  ARG1043          1HH2      ARG1043  -7.050 -15.280  -6.500
 1012    H    LEU1044           H        LEU1044  -2.769 -16.194  -2.831
 1013    HA   LEU1044           HA       LEU1044  -3.853 -18.773  -3.492
 1014   1HB   LEU1044          HB1       LEU1044  -4.065 -16.846  -4.968
 1015   2HB   LEU1044          HB2       LEU1044  -2.332 -16.800  -5.186
 1016    HG   LEU1044           HG       LEU1044  -2.431 -19.016  -6.278
 1017   1HD1  LEU1044          1HD1      LEU1044  -4.416 -19.903  -5.201
 1018   2HD1  LEU1044          2HD1      LEU1044  -5.414 -18.681  -5.990
 1019   3HD1  LEU1044          3HD1      LEU1044  -4.610 -19.921  -6.955
 1020   1HD2  LEU1044          1HD2      LEU1044  -2.497 -16.988  -7.626
 1021   2HD2  LEU1044          2HD2      LEU1044  -3.478 -18.261  -8.354
 1022   3HD2  LEU1044          3HD2      LEU1044  -4.253 -16.937  -7.481
 1023    H    LYS1045           H        LYS1045  -0.673 -17.420  -3.010
 1024    HA   LYS1045           HA       LYS1045   0.940 -19.468  -4.017
 1025   1HB   LYS1045          HB1       LYS1045   1.202 -17.171  -2.251
 1026   2HB   LYS1045          HB2       LYS1045   2.218 -18.503  -1.727
 1027   1HG   LYS1045          HG1       LYS1045   3.356 -16.903  -3.199
 1028   2HG   LYS1045          HG2       LYS1045   3.350 -18.548  -3.824
 1029   1HD   LYS1045          HD1       LYS1045   1.613 -18.005  -5.398
 1030   2HD   LYS1045          HD2       LYS1045   1.403 -16.407  -4.678
 1031   1HE   LYS1045          HE1       LYS1045   3.573 -15.721  -5.414
 1032   2HE   LYS1045          HE2       LYS1045   3.959 -17.353  -5.959
 1033   1HZ   LYS1045          HZ1       LYS1045   1.828 -15.629  -7.106
 1034   2HZ   LYS1045          HZ2       LYS1045   3.351 -15.888  -7.801
 1035   3HZ   LYS1045          HZ3       LYS1045   2.258 -17.177  -7.645
 1036    H    MET1046           H        MET1046  -0.509 -18.976  -0.849
 1037    HA   MET1046           HA       MET1046   0.501 -21.333   0.345
 1038   1HB   MET1046          HB1       MET1046  -0.512 -19.438   1.602
 1039   2HB   MET1046          HB2       MET1046  -2.085 -19.901   0.968
 1040   1HG   MET1046          HG1       MET1046  -1.907 -22.061   2.086
 1041   2HG   MET1046          HG2       MET1046  -0.324 -21.599   2.713
 1042   1HE   MET1046          HE1       MET1046  -2.566 -21.533   5.924
 1043   2HE   MET1046          HE2       MET1046  -2.653 -22.665   4.574
 1044   3HE   MET1046          HE3       MET1046  -1.084 -22.153   5.194
 1045    H    ILE1047           H        ILE1047  -2.334 -20.638  -1.604
 1046    HA   ILE1047           HA       ILE1047  -3.479 -23.238  -1.431
 1047    HB   ILE1047           HB       ILE1047  -3.818 -21.087  -3.534
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.585 -20.381  -1.334
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.969 -20.670  -2.382
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.818 -22.279  -4.239
 1051   2HG2  ILE1047          2HG2      ILE1047  -4.387 -23.294  -4.425
 1052   3HG2  ILE1047          3HG2      ILE1047  -5.484 -23.556  -3.070
 1053   1HD1  ILE1047          1HD1      ILE1047  -6.368 -21.517  -0.146
 1054   2HD1  ILE1047          2HD1      ILE1047  -6.323 -22.835  -1.317
 1055   3HD1  ILE1047          3HD1      ILE1047  -4.938 -22.542  -0.266
 1056    H    SER1048           H        SER1048  -1.372 -21.612  -3.760
 1057    HA   SER1048           HA       SER1048  -0.993 -23.563  -5.658
 1058   1HB   SER1048          HB1       SER1048   1.058 -21.642  -4.514
 1059   2HB   SER1048          HB2       SER1048   1.245 -22.538  -6.026
 1060    HG   SER1048           HG       SER1048  -0.950 -20.818  -5.519
 1061    H    GLN1049           H        GLN1049   0.387 -23.429  -2.426
 1062    HA   GLN1049           HA       GLN1049   2.186 -25.628  -2.940
 1063   1HB   GLN1049          HB1       GLN1049   2.782 -23.813  -1.375
 1064   2HB   GLN1049          HB2       GLN1049   1.453 -24.290  -0.330
 1065   1HG   GLN1049          HG1       GLN1049   3.490 -25.143   0.574
 1066   2HG   GLN1049          HG2       GLN1049   2.530 -26.492  -0.029
 1067   1HE2  GLN1049          2HE2      GLN1049   5.388 -26.332   0.475
 1068   2HE2  GLN1049          1HE2      GLN1049   6.175 -26.683  -1.034
 1069    H    SER1050           H        SER1050  -1.027 -25.191  -1.660
 1070    HA   SER1050           HA       SER1050  -1.044 -27.818  -0.429
 1071   1HB   SER1050          HB1       SER1050  -3.505 -27.084   0.043
 1072   2HB   SER1050          HB2       SER1050  -2.182 -26.308   0.914
 1073    HG   SER1050           HG       SER1050  -2.452 -24.501  -0.227
 1074    H    ARG1051           H        ARG1051  -1.740 -26.524  -3.479
 1075    HA   ARG1051           HA       ARG1051  -2.907 -29.113  -4.204
 1076   1HB   ARG1051          HB1       ARG1051  -4.317 -28.007  -5.926
 1077   2HB   ARG1051          HB2       ARG1051  -4.781 -27.604  -4.282
 1078   1HG   ARG1051          HG1       ARG1051  -3.719 -25.440  -4.477
 1079   2HG   ARG1051          HG2       ARG1051  -3.134 -25.849  -6.091
 1080   1HD   ARG1051          HD1       ARG1051  -6.042 -25.742  -5.310
 1081   2HD   ARG1051          HD2       ARG1051  -5.171 -24.415  -6.077
 1082    HE   ARG1051           HE       ARG1051  -4.795 -25.977  -7.979
 1083   1HH1  ARG1051          2HH1      ARG1051  -7.472 -26.477  -5.788
 1084   2HH1  ARG1051          1HH1      ARG1051  -8.435 -27.343  -6.943
 1085   1HH2  ARG1051          2HH2      ARG1051  -6.046 -27.094  -9.510
 1086   2HH2  ARG1051          1HH2      ARG1051  -7.630 -27.668  -9.082
 1087    HA   PRO1052           HA       PRO1052   0.856 -28.773  -6.645
 1088   1HB   PRO1052          HB1       PRO1052   0.209 -31.574  -7.281
 1089   2HB   PRO1052          HB2       PRO1052   1.655 -30.900  -6.522
 1090   1HG   PRO1052          HG1       PRO1052  -0.121 -32.329  -5.116
 1091   2HG   PRO1052          HG2       PRO1052   0.729 -30.943  -4.407
 1092   1HD   PRO1052          HD1       PRO1052  -2.065 -31.103  -5.483
 1093   2HD   PRO1052          HD2       PRO1052  -1.472 -30.312  -4.007
 1094    H    HIS1053           H        HIS1053  -2.334 -29.621  -7.611
 1095    HA   HIS1053           HA       HIS1053  -1.894 -28.563 -10.232
 1096   1HB   HIS1053          HB1       HIS1053  -2.567 -30.498 -11.523
 1097   2HB   HIS1053          HB2       HIS1053  -1.159 -30.915 -10.559
 1098    HD1  HIS1053           HD1      HIS1053  -4.513 -32.030 -11.371
 1099    HD2  HIS1053           HD2      HIS1053  -1.875 -32.520  -8.197
 1100    HE1  HIS1053           HE1      HIS1053  -5.364 -34.013 -10.087
 1101    HE2  HIS1053           HE2      HIS1053  -3.858 -34.181  -8.073
  Start of MODEL   11
    1   1H    ARG 920           H        ARG 920  -7.536 -19.179  -3.626
    2    HA   ARG 920           HA       ARG 920  -8.479 -19.799  -1.045
    3   1HB   ARG 920          HB1       ARG 920  -6.156 -19.087  -1.683
    4   2HB   ARG 920          HB2       ARG 920  -6.766 -17.448  -1.850
    5   1HG   ARG 920          HG1       ARG 920  -5.655 -17.745   0.273
    6   2HG   ARG 920          HG2       ARG 920  -7.379 -17.436   0.519
    7   1HD   ARG 920          HD1       ARG 920  -7.717 -19.889   0.732
    8   2HD   ARG 920          HD2       ARG 920  -5.971 -20.087   0.618
    9    HE   ARG 920           HE       ARG 920  -6.088 -18.461   2.682
   10   1HH1  ARG 920          2HH1      ARG 920  -8.123 -21.212   1.948
   11   2HH1  ARG 920          1HH1      ARG 920  -8.432 -21.589   3.615
   12   1HH2  ARG 920          2HH2      ARG 920  -6.497 -18.971   4.901
   13   2HH2  ARG 920          1HH2      ARG 920  -7.505 -20.333   5.275
   14    H    SER 921           H        SER 921  -9.860 -17.749  -3.281
   15    HA   SER 921           HA       SER 921 -11.427 -16.120  -3.246
   16   1HB   SER 921          HB1       SER 921 -11.595 -16.742  -0.287
   17   2HB   SER 921          HB2       SER 921 -12.724 -15.708  -1.168
   18    HG   SER 921           HG       SER 921 -12.455 -18.474  -1.170
   19    H    ASN 922           H        ASN 922  -8.553 -15.975  -1.801
   20    HA   ASN 922           HA       ASN 922  -7.020 -14.407  -1.505
   21   1HB   ASN 922          HB1       ASN 922  -8.600 -13.431  -3.508
   22   2HB   ASN 922          HB2       ASN 922  -8.330 -12.053  -2.422
   23   1HD2  ASN 922          2HD2      ASN 922  -6.837 -14.576  -4.259
   24   2HD2  ASN 922          1HD2      ASN 922  -5.255 -13.917  -4.228
   25    H    ASP 923           H        ASP 923  -7.291 -14.722   0.583
   26    HA   ASP 923           HA       ASP 923  -9.013 -13.732   2.437
   27   1HB   ASP 923          HB1       ASP 923  -7.360 -15.572   2.683
   28   2HB   ASP 923          HB2       ASP 923  -6.083 -14.372   2.816
   29    H    LYS 924           H        LYS 924  -7.863 -12.501   4.427
   30    HA   LYS 924           HA       LYS 924  -8.161  -9.834   4.176
   31   1HB   LYS 924          HB1       LYS 924  -7.451 -11.517   6.184
   32   2HB   LYS 924          HB2       LYS 924  -5.969 -10.593   6.001
   33   1HG   LYS 924          HG1       LYS 924  -8.493  -9.058   6.154
   34   2HG   LYS 924          HG2       LYS 924  -7.946  -9.860   7.624
   35   1HD   LYS 924          HD1       LYS 924  -5.797  -8.725   7.460
   36   2HD   LYS 924          HD2       LYS 924  -6.310  -7.947   5.963
   37   1HE   LYS 924          HE1       LYS 924  -6.506  -6.448   7.890
   38   2HE   LYS 924          HE2       LYS 924  -8.071  -6.772   7.143
   39   1HZ   LYS 924          HZ1       LYS 924  -7.009  -7.986   9.641
   40   2HZ   LYS 924          HZ2       LYS 924  -8.284  -6.877   9.512
   41   3HZ   LYS 924          HZ3       LYS 924  -8.466  -8.443   8.901
   42    H    VAL 925           H        VAL 925  -5.502 -11.558   2.881
   43    HA   VAL 925           HA       VAL 925  -3.597  -9.518   2.616
   44    HB   VAL 925           HB       VAL 925  -2.866 -10.859   0.565
   45   1HG1  VAL 925          1HG1      VAL 925  -1.939 -12.664   1.945
   46   2HG1  VAL 925          2HG1      VAL 925  -1.832 -11.109   2.771
   47   3HG1  VAL 925          3HG1      VAL 925  -3.078 -12.269   3.232
   48   1HG2  VAL 925          1HG2      VAL 925  -4.982 -12.741   1.608
   49   2HG2  VAL 925          2HG2      VAL 925  -5.005 -11.903   0.056
   50   3HG2  VAL 925          3HG2      VAL 925  -3.775 -13.124   0.380
   51    H    TYR 926           H        TYR 926  -6.237 -10.572   0.331
   52    HA   TYR 926           HA       TYR 926  -5.485  -8.471  -1.522
   53   1HB   TYR 926          HB1       TYR 926  -6.517 -10.478  -2.374
   54   2HB   TYR 926          HB2       TYR 926  -7.892 -10.302  -1.294
   55    HD1  TYR 926           HD1      TYR 926  -9.834  -9.580  -2.224
   56    HD2  TYR 926           HD2      TYR 926  -6.163  -8.319  -3.962
   57    HE1  TYR 926           HE1      TYR 926 -11.082  -8.399  -3.989
   58    HE2  TYR 926           HE2      TYR 926  -7.397  -7.134  -5.731
   59    HH   TYR 926           HH       TYR 926  -9.644  -7.304  -6.819
   60    H    GLU 927           H        GLU 927  -7.699  -9.034   1.061
   61    HA   GLU 927           HA       GLU 927  -9.536  -6.959   0.670
   62   1HB   GLU 927          HB1       GLU 927  -8.730  -8.608   3.051
   63   2HB   GLU 927          HB2       GLU 927 -10.012  -7.414   3.136
   64   1HG   GLU 927          HG1       GLU 927 -11.251  -8.592   1.408
   65   2HG   GLU 927          HG2       GLU 927  -9.943  -9.763   1.261
   66    H    ASN 928           H        ASN 928  -6.808  -7.147   3.000
   67    HA   ASN 928           HA       ASN 928  -7.421  -4.539   3.990
   68   1HB   ASN 928          HB1       ASN 928  -6.384  -6.374   5.356
   69   2HB   ASN 928          HB2       ASN 928  -4.876  -6.067   4.497
   70   1HD2  ASN 928          2HD2      ASN 928  -7.256  -3.678   5.499
   71   2HD2  ASN 928          1HD2      ASN 928  -6.208  -2.853   6.604
   72    H    VAL 929           H        VAL 929  -5.050  -5.761   1.670
   73    HA   VAL 929           HA       VAL 929  -3.636  -3.306   1.569
   74    HB   VAL 929           HB       VAL 929  -3.815  -5.309  -0.693
   75   1HG1  VAL 929          1HG1      VAL 929  -1.794  -3.170   0.007
   76   2HG1  VAL 929          2HG1      VAL 929  -1.630  -4.342  -1.299
   77   3HG1  VAL 929          3HG1      VAL 929  -2.915  -3.134  -1.352
   78   1HG2  VAL 929          1HG2      VAL 929  -3.130  -6.361   1.391
   79   2HG2  VAL 929          2HG2      VAL 929  -1.768  -6.226   0.278
   80   3HG2  VAL 929          3HG2      VAL 929  -1.912  -5.109   1.637
   81    H    THR 930           H        THR 930  -6.411  -4.470  -0.407
   82    HA   THR 930           HA       THR 930  -6.971  -2.096  -1.698
   83    HB   THR 930           HB       THR 930  -8.958  -3.943  -0.348
   84    HG1  THR 930           HG1      THR 930  -7.968  -5.216  -1.793
   85   1HG2  THR 930          1HG2      THR 930  -9.341  -1.978  -2.614
   86   2HG2  THR 930          2HG2      THR 930 -10.553  -3.115  -2.025
   87   3HG2  THR 930          3HG2      THR 930  -9.984  -1.815  -0.979
   88    H    GLY 931           H        GLY 931  -7.054  -2.841   1.654
   89   1HA   GLY 931          HA1       GLY 931  -8.642  -0.626   2.548
   90   2HA   GLY 931          HA2       GLY 931  -7.594  -1.629   3.543
   91    H    LEU 932           H        LEU 932  -5.247  -1.132   1.792
   92    HA   LEU 932           HA       LEU 932  -4.219   1.248   2.905
   93   1HB   LEU 932          HB1       LEU 932  -2.921  -0.705   1.866
   94   2HB   LEU 932          HB2       LEU 932  -3.310  -0.007   0.308
   95    HG   LEU 932           HG       LEU 932  -1.790   1.516   2.426
   96   1HD1  LEU 932          1HD1      LEU 932   0.249   0.914   1.225
   97   2HD1  LEU 932          2HD1      LEU 932  -0.547  -0.507   1.899
   98   3HD1  LEU 932          3HD1      LEU 932  -0.682  -0.156   0.176
   99   1HD2  LEU 932          1HD2      LEU 932  -1.038   2.865   0.538
  100   2HD2  LEU 932          2HD2      LEU 932  -1.997   1.876  -0.564
  101   3HD2  LEU 932          3HD2      LEU 932  -2.797   2.872   0.653
  102    H    VAL 933           H        VAL 933  -5.733   0.474  -0.184
  103    HA   VAL 933           HA       VAL 933  -5.644   3.028  -1.340
  104    HB   VAL 933           HB       VAL 933  -7.829   0.968  -1.679
  105   1HG1  VAL 933          1HG1      VAL 933  -6.920   3.215  -3.475
  106   2HG1  VAL 933          2HG1      VAL 933  -8.143   2.009  -3.876
  107   3HG1  VAL 933          3HG1      VAL 933  -8.429   3.152  -2.563
  108   1HG2  VAL 933          1HG2      VAL 933  -6.544   0.143  -3.583
  109   2HG2  VAL 933          2HG2      VAL 933  -5.258   1.295  -3.224
  110   3HG2  VAL 933          3HG2      VAL 933  -5.621  -0.003  -2.088
  111    H    LYS 934           H        LYS 934  -8.090   1.482   0.660
  112    HA   LYS 934           HA       LYS 934  -9.942   3.524   0.886
  113   1HB   LYS 934          HB1       LYS 934  -9.135   1.743   3.188
  114   2HB   LYS 934          HB2       LYS 934 -10.678   2.547   2.963
  115   1HG   LYS 934          HG1       LYS 934  -9.589   0.321   1.254
  116   2HG   LYS 934          HG2       LYS 934 -10.808   0.155   2.513
  117   1HD   LYS 934          HD1       LYS 934 -12.242   0.352   0.785
  118   2HD   LYS 934          HD2       LYS 934 -11.941   2.079   0.987
  119   1HE   LYS 934          HE1       LYS 934 -10.319   2.073  -0.766
  120   2HE   LYS 934          HE2       LYS 934 -10.339   0.314  -0.858
  121   1HZ   LYS 934          HZ1       LYS 934 -12.617   2.105  -1.536
  122   2HZ   LYS 934          HZ2       LYS 934 -11.617   1.313  -2.656
  123   3HZ   LYS 934          HZ3       LYS 934 -12.627   0.409  -1.631
  124    H    ALA 935           H        ALA 935  -6.990   3.007   2.783
  125    HA   ALA 935           HA       ALA 935  -7.438   5.282   4.456
  126   1HB   ALA 935          HB1       ALA 935  -5.210   4.835   5.339
  127   2HB   ALA 935          HB2       ALA 935  -6.171   3.358   5.250
  128   3HB   ALA 935          HB3       ALA 935  -4.926   3.674   4.042
  129    H    VAL 936           H        VAL 936  -5.700   4.763   1.422
  130    HA   VAL 936           HA       VAL 936  -4.505   7.363   1.550
  131    HB   VAL 936           HB       VAL 936  -3.513   5.510   0.199
  132   1HG1  VAL 936          1HG1      VAL 936  -4.352   5.016  -2.000
  133   2HG1  VAL 936          2HG1      VAL 936  -5.631   4.729  -0.820
  134   3HG1  VAL 936          3HG1      VAL 936  -5.657   6.188  -1.806
  135   1HG2  VAL 936          1HG2      VAL 936  -4.099   8.070  -1.270
  136   2HG2  VAL 936          2HG2      VAL 936  -2.792   7.792  -0.119
  137   3HG2  VAL 936          3HG2      VAL 936  -2.807   6.935  -1.661
  138    H    ILE 937           H        ILE 937  -7.560   6.088   0.638
  139    HA   ILE 937           HA       ILE 937  -8.545   8.340  -0.772
  140    HB   ILE 937           HB       ILE 937  -9.999   6.283   0.903
  141   1HG1  ILE 937          1HG1      ILE 937  -8.969   5.377  -1.110
  142   2HG1  ILE 937          2HG1      ILE 937 -10.720   5.401  -1.286
  143   1HG2  ILE 937          1HG2      ILE 937 -11.214   8.356  -0.921
  144   2HG2  ILE 937          2HG2      ILE 937 -12.079   7.075  -0.073
  145   3HG2  ILE 937          3HG2      ILE 937 -11.294   8.362   0.841
  146   1HD1  ILE 937          1HD1      ILE 937  -9.615   6.085  -3.334
  147   2HD1  ILE 937          2HD1      ILE 937 -10.555   7.413  -2.654
  148   3HD1  ILE 937          3HD1      ILE 937  -8.800   7.392  -2.474
  149    H    GLU 938           H        GLU 938  -7.958   7.631   2.580
  150    HA   GLU 938           HA       GLU 938  -9.373   9.791   3.733
  151   1HB   GLU 938          HB1       GLU 938  -6.847   8.395   4.643
  152   2HB   GLU 938          HB2       GLU 938  -7.730   9.573   5.607
  153   1HG   GLU 938          HG1       GLU 938  -8.722   6.888   4.676
  154   2HG   GLU 938          HG2       GLU 938  -8.365   7.387   6.330
  155    H    MET 939           H        MET 939  -6.084   9.465   2.556
  156    HA   MET 939           HA       MET 939  -5.162  12.001   3.156
  157   1HB   MET 939          HB1       MET 939  -3.325  11.529   1.932
  158   2HB   MET 939          HB2       MET 939  -4.031   9.925   1.845
  159   1HG   MET 939          HG1       MET 939  -4.901  10.360  -0.341
  160   2HG   MET 939          HG2       MET 939  -4.426  12.054  -0.244
  161   1HE   MET 939          HE1       MET 939  -2.072  10.507  -3.000
  162   2HE   MET 939          HE2       MET 939  -3.732  10.021  -2.656
  163   3HE   MET 939          HE3       MET 939  -3.296  11.731  -2.658
  164    H    SER 940           H        SER 940  -7.085  11.037   0.312
  165    HA   SER 940           HA       SER 940  -7.020  13.678  -0.789
  166   1HB   SER 940          HB1       SER 940  -8.893  12.733  -2.268
  167   2HB   SER 940          HB2       SER 940  -7.307  11.972  -2.381
  168    HG   SER 940           HG       SER 940  -9.679  11.012  -1.211
  169    H    SER 941           H        SER 941  -9.209  11.956   1.360
  170    HA   SER 941           HA       SER 941 -11.316  13.891   1.021
  171   1HB   SER 941          HB1       SER 941 -12.327  12.630   3.003
  172   2HB   SER 941          HB2       SER 941 -12.061  11.705   1.525
  173    HG   SER 941           HG       SER 941 -10.507  10.592   2.467
  174    H    LYS 942           H        LYS 942  -8.990  13.104   3.575
  175    HA   LYS 942           HA       LYS 942  -9.952  15.104   5.339
  176   1HB   LYS 942          HB1       LYS 942  -8.326  14.405   6.829
  177   2HB   LYS 942          HB2       LYS 942  -8.571  12.965   5.861
  178   1HG   LYS 942          HG1       LYS 942  -6.309  12.998   5.933
  179   2HG   LYS 942          HG2       LYS 942  -6.563  13.972   4.483
  180   1HD   LYS 942          HD1       LYS 942  -4.935  15.050   5.911
  181   2HD   LYS 942          HD2       LYS 942  -6.421  16.008   5.856
  182   1HE   LYS 942          HE1       LYS 942  -5.519  15.862   8.133
  183   2HE   LYS 942          HE2       LYS 942  -7.108  15.115   8.004
  184   1HZ   LYS 942          HZ1       LYS 942  -6.039  12.945   7.911
  185   2HZ   LYS 942          HZ2       LYS 942  -4.515  13.659   8.040
  186   3HZ   LYS 942          HZ3       LYS 942  -5.612  13.768   9.327
  187    H    ILE 943           H        ILE 943  -7.754  15.169   2.651
  188    HA   ILE 943           HA       ILE 943  -6.623  17.713   3.390
  189    HB   ILE 943           HB       ILE 943  -5.468  16.024   1.868
  190   1HG1  ILE 943          1HG1      ILE 943  -4.439  17.813   0.484
  191   2HG1  ILE 943          2HG1      ILE 943  -5.738  18.900   0.963
  192   1HG2  ILE 943          1HG2      ILE 943  -7.327  15.565   0.362
  193   2HG2  ILE 943          2HG2      ILE 943  -7.319  17.244  -0.178
  194   3HG2  ILE 943          3HG2      ILE 943  -5.942  16.199  -0.527
  195   1HD1  ILE 943          1HD1      ILE 943  -5.019  18.766   3.276
  196   2HD1  ILE 943          2HD1      ILE 943  -3.748  17.629   2.827
  197   3HD1  ILE 943          3HD1      ILE 943  -3.695  19.290   2.237
  198    H    GLN 944           H        GLN 944  -9.466  16.614   1.725
  199    HA   GLN 944           HA       GLN 944 -10.171  18.785   0.193
  200   1HB   GLN 944          HB1       GLN 944 -11.919  17.058   1.938
  201   2HB   GLN 944          HB2       GLN 944 -12.570  18.289   0.867
  202   1HG   GLN 944          HG1       GLN 944 -10.936  15.905   0.034
  203   2HG   GLN 944          HG2       GLN 944 -12.677  16.077  -0.132
  204   1HE2  GLN 944          2HE2      GLN 944  -9.610  16.901  -1.373
  205   2HE2  GLN 944          1HE2      GLN 944 -10.150  17.742  -2.789
  206    HA   PRO 945           HA       PRO 945 -11.470  21.380   3.870
  207   1HB   PRO 945          HB1       PRO 945 -11.902  20.406   6.308
  208   2HB   PRO 945          HB2       PRO 945 -13.055  20.111   5.001
  209   1HG   PRO 945          HG1       PRO 945 -11.069  18.276   6.225
  210   2HG   PRO 945          HG2       PRO 945 -12.655  17.910   5.524
  211   1HD   PRO 945          HD1       PRO 945 -10.115  17.646   4.275
  212   2HD   PRO 945          HD2       PRO 945 -11.708  17.448   3.521
  213    H    ALA 946           H        ALA 946  -8.633  20.374   3.452
  214    HA   ALA 946           HA       ALA 946  -7.491  21.373   5.975
  215   1HB   ALA 946          HB1       ALA 946  -7.439  18.928   5.938
  216   2HB   ALA 946          HB2       ALA 946  -6.484  18.985   4.457
  217   3HB   ALA 946          HB3       ALA 946  -5.825  19.638   5.956
  218    HA   PRO 947           HA       PRO 947  -4.541  23.491   3.332
  219   1HB   PRO 947          HB1       PRO 947  -3.048  24.565   5.240
  220   2HB   PRO 947          HB2       PRO 947  -4.755  25.005   5.112
  221   1HG   PRO 947          HG1       PRO 947  -3.416  23.135   7.018
  222   2HG   PRO 947          HG2       PRO 947  -4.720  24.298   7.316
  223   1HD   PRO 947          HD1       PRO 947  -5.039  21.555   6.845
  224   2HD   PRO 947          HD2       PRO 947  -6.317  22.782   6.761
  225    HA   PRO 948           HA       PRO 948  -0.614  21.295   2.861
  226   1HB   PRO 948          HB1       PRO 948   1.302  23.066   3.871
  227   2HB   PRO 948          HB2       PRO 948   0.738  22.985   2.200
  228   1HG   PRO 948          HG1       PRO 948  -0.099  24.823   4.396
  229   2HG   PRO 948          HG2       PRO 948   0.084  25.148   2.662
  230   1HD   PRO 948          HD1       PRO 948  -2.334  24.845   3.762
  231   2HD   PRO 948          HD2       PRO 948  -1.979  24.202   2.144
  232    H    GLU 949           H        GLU 949  -1.073  22.884   5.947
  233    HA   GLU 949           HA       GLU 949   0.732  21.445   7.489
  234   1HB   GLU 949          HB1       GLU 949  -1.937  22.650   8.192
  235   2HB   GLU 949          HB2       GLU 949  -0.849  21.949   9.387
  236   1HG   GLU 949          HG1       GLU 949  -0.358  24.329   7.622
  237   2HG   GLU 949          HG2       GLU 949  -0.487  24.291   9.382
  238    H    GLU 950           H        GLU 950  -2.410  20.535   6.238
  239    HA   GLU 950           HA       GLU 950  -2.176  17.976   7.638
  240   1HB   GLU 950          HB1       GLU 950  -4.487  19.154   6.114
  241   2HB   GLU 950          HB2       GLU 950  -4.470  17.540   6.813
  242   1HG   GLU 950          HG1       GLU 950  -4.190  20.112   8.351
  243   2HG   GLU 950          HG2       GLU 950  -5.661  19.150   8.214
  244    H    TYR 951           H        TYR 951  -1.193  19.305   4.789
  245    HA   TYR 951           HA       TYR 951  -1.667  17.263   2.921
  246   1HB   TYR 951          HB1       TYR 951   0.285  19.445   3.206
  247   2HB   TYR 951          HB2       TYR 951   0.926  18.037   2.370
  248    HD1  TYR 951           HD1      TYR 951   0.128  17.417   0.184
  249    HD2  TYR 951           HD2      TYR 951  -1.555  20.737   2.237
  250    HE1  TYR 951           HE1      TYR 951  -0.913  18.177  -1.908
  251    HE2  TYR 951           HE2      TYR 951  -2.603  21.504   0.156
  252    HH   TYR 951           HH       TYR 951  -3.010  19.648  -2.503
  253    H    VAL 952           H        VAL 952   0.865  17.670   5.383
  254    HA   VAL 952           HA       VAL 952   1.893  15.059   4.793
  255    HB   VAL 952           HB       VAL 952   3.616  16.265   5.607
  256   1HG1  VAL 952          1HG1      VAL 952   3.565  17.733   7.598
  257   2HG1  VAL 952          2HG1      VAL 952   2.449  18.240   6.331
  258   3HG1  VAL 952          3HG1      VAL 952   1.841  17.406   7.761
  259   1HG2  VAL 952          1HG2      VAL 952   4.260  15.439   7.813
  260   2HG2  VAL 952          2HG2      VAL 952   2.600  14.918   8.103
  261   3HG2  VAL 952          3HG2      VAL 952   3.549  14.167   6.820
  262    HA   PRO 953           HA       PRO 953  -0.605  13.693   8.825
  263   1HB   PRO 953          HB1       PRO 953  -2.825  15.603   8.342
  264   2HB   PRO 953          HB2       PRO 953  -2.273  14.878   9.864
  265   1HG   PRO 953          HG1       PRO 953  -1.629  17.380   9.312
  266   2HG   PRO 953          HG2       PRO 953  -0.420  16.287  10.014
  267   1HD   PRO 953          HD1       PRO 953  -0.714  17.232   7.193
  268   2HD   PRO 953          HD2       PRO 953   0.759  16.959   8.144
  269    H    MET 954           H        MET 954  -1.915  14.824   5.710
  270    HA   MET 954           HA       MET 954  -3.952  12.821   5.707
  271   1HB   MET 954          HB1       MET 954  -4.442  13.420   3.472
  272   2HB   MET 954          HB2       MET 954  -3.978  14.912   4.268
  273   1HG   MET 954          HG1       MET 954  -1.821  14.857   3.234
  274   2HG   MET 954          HG2       MET 954  -2.155  13.275   2.534
  275   1HE   MET 954          HE1       MET 954  -1.101  15.698   0.778
  276   2HE   MET 954          HE2       MET 954  -1.490  14.108   0.124
  277   3HE   MET 954          HE3       MET 954  -2.150  15.558  -0.633
  278    H    VAL 955           H        VAL 955  -0.662  13.053   4.441
  279    HA   VAL 955           HA       VAL 955  -0.607  10.443   3.389
  280    HB   VAL 955           HB       VAL 955   1.216  12.372   3.224
  281   1HG1  VAL 955          1HG1      VAL 955   1.883  12.331   5.549
  282   2HG1  VAL 955          2HG1      VAL 955   2.300  10.623   5.413
  283   3HG1  VAL 955          3HG1      VAL 955   3.215  11.829   4.508
  284   1HG2  VAL 955          1HG2      VAL 955   1.107  10.333   1.885
  285   2HG2  VAL 955          2HG2      VAL 955   2.764  10.710   2.357
  286   3HG2  VAL 955          3HG2      VAL 955   1.876   9.436   3.193
  287    H    LYS 956           H        LYS 956  -0.356  11.665   6.632
  288    HA   LYS 956           HA       LYS 956   0.711   9.436   7.934
  289   1HB   LYS 956          HB1       LYS 956   0.124  11.593   9.041
  290   2HB   LYS 956          HB2       LYS 956  -1.575  11.151   8.922
  291   1HG   LYS 956          HG1       LYS 956  -1.061   9.123  10.280
  292   2HG   LYS 956          HG2       LYS 956   0.561   9.774  10.526
  293   1HD   LYS 956          HD1       LYS 956  -0.423  11.792  11.526
  294   2HD   LYS 956          HD2       LYS 956  -2.031  11.099  11.315
  295   1HE   LYS 956          HE1       LYS 956  -1.333   9.191  12.743
  296   2HE   LYS 956          HE2       LYS 956   0.197  10.019  13.034
  297   1HZ   LYS 956          HZ1       LYS 956  -1.077  11.884  13.969
  298   2HZ   LYS 956          HZ2       LYS 956  -2.509  10.998  13.763
  299   3HZ   LYS 956          HZ3       LYS 956  -1.319  10.442  14.833
  300    H    GLU 957           H        GLU 957  -2.675  10.113   7.045
  301    HA   GLU 957           HA       GLU 957  -3.867   7.773   7.712
  302   1HB   GLU 957          HB1       GLU 957  -4.380   9.043   5.025
  303   2HB   GLU 957          HB2       GLU 957  -5.526   8.238   6.084
  304   1HG   GLU 957          HG1       GLU 957  -4.206  10.894   6.603
  305   2HG   GLU 957          HG2       GLU 957  -5.858  10.648   6.050
  306    H    VAL 958           H        VAL 958  -2.082   8.328   4.616
  307    HA   VAL 958           HA       VAL 958  -2.362   5.621   3.789
  308    HB   VAL 958           HB       VAL 958  -1.082   6.087   1.945
  309   1HG1  VAL 958          1HG1      VAL 958  -1.799   8.856   2.899
  310   2HG1  VAL 958          2HG1      VAL 958  -1.438   8.394   1.236
  311   3HG1  VAL 958          3HG1      VAL 958  -2.859   7.738   2.042
  312   1HG2  VAL 958          1HG2      VAL 958   0.792   7.668   1.857
  313   2HG2  VAL 958          2HG2      VAL 958   0.557   8.025   3.568
  314   3HG2  VAL 958          3HG2      VAL 958   1.032   6.404   3.064
  315    H    GLY 959           H        GLY 959  -0.185   7.225   5.957
  316   1HA   GLY 959          HA1       GLY 959   1.808   5.219   6.117
  317   2HA   GLY 959          HA2       GLY 959   1.413   6.380   7.379
  318    H    LEU 960           H        LEU 960  -1.201   5.755   7.914
  319    HA   LEU 960           HA       LEU 960  -1.055   3.367   9.447
  320   1HB   LEU 960          HB1       LEU 960  -3.484   4.980   8.653
  321   2HB   LEU 960          HB2       LEU 960  -3.416   3.788   9.935
  322    HG   LEU 960           HG       LEU 960  -1.905   6.400   9.895
  323   1HD1  LEU 960          1HD1      LEU 960  -4.310   5.523  11.485
  324   2HD1  LEU 960          2HD1      LEU 960  -3.426   7.033  11.708
  325   3HD1  LEU 960          3HD1      LEU 960  -4.289   6.731  10.200
  326   1HD2  LEU 960          1HD2      LEU 960  -2.146   4.317  12.061
  327   2HD2  LEU 960          2HD2      LEU 960  -0.710   4.617  11.080
  328   3HD2  LEU 960          3HD2      LEU 960  -1.301   5.860  12.185
  329    H    ALA 961           H        ALA 961  -1.470   3.870   6.227
  330    HA   ALA 961           HA       ALA 961  -3.427   1.795   5.692
  331   1HB   ALA 961          HB1       ALA 961  -3.008   2.249   3.339
  332   2HB   ALA 961          HB2       ALA 961  -3.307   3.747   4.220
  333   3HB   ALA 961          HB3       ALA 961  -1.661   3.302   3.768
  334    H    LEU 962           H        LEU 962   0.047   2.261   4.825
  335    HA   LEU 962           HA       LEU 962   0.467  -0.488   4.310
  336   1HB   LEU 962          HB1       LEU 962   2.009   0.986   3.366
  337   2HB   LEU 962          HB2       LEU 962   2.293   1.814   4.883
  338    HG   LEU 962           HG       LEU 962   3.145  -1.047   4.628
  339   1HD1  LEU 962          1HD1      LEU 962   5.276  -0.346   3.699
  340   2HD1  LEU 962          2HD1      LEU 962   3.963   0.068   2.598
  341   3HD1  LEU 962          3HD1      LEU 962   4.704   1.318   3.596
  342   1HD2  LEU 962          1HD2      LEU 962   3.336   0.066   6.796
  343   2HD2  LEU 962          2HD2      LEU 962   4.933  -0.270   6.126
  344   3HD2  LEU 962          3HD2      LEU 962   4.276   1.364   6.058
  345    H    ARG 963           H        ARG 963   0.509   1.356   7.287
  346    HA   ARG 963           HA       ARG 963   1.896  -0.473   8.899
  347   1HB   ARG 963          HB1       ARG 963  -0.206   1.584   9.479
  348   2HB   ARG 963          HB2       ARG 963   0.337   0.498  10.751
  349   1HG   ARG 963          HG1       ARG 963   2.652   1.264  10.368
  350   2HG   ARG 963          HG2       ARG 963   2.043   2.411   9.173
  351   1HD   ARG 963          HD1       ARG 963   0.795   3.586  10.827
  352   2HD   ARG 963          HD2       ARG 963   1.105   2.337  12.032
  353    HE   ARG 963           HE       ARG 963   3.107   4.240  10.981
  354   1HH1  ARG 963          2HH1      ARG 963   1.991   1.982  13.418
  355   2HH1  ARG 963          1HH1      ARG 963   3.257   2.370  14.549
  356   1HH2  ARG 963          2HH2      ARG 963   4.797   4.738  12.446
  357   2HH2  ARG 963          1HH2      ARG 963   4.869   3.930  13.984
  358    H    THR 964           H        THR 964  -1.675  -0.109   8.775
  359    HA   THR 964           HA       THR 964  -2.341  -2.538   9.891
  360    HB   THR 964           HB       THR 964  -3.899  -1.318   7.611
  361    HG1  THR 964           HG1      THR 964  -3.676   0.443   8.850
  362   1HG2  THR 964          1HG2      THR 964  -5.829  -2.075   8.936
  363   2HG2  THR 964          2HG2      THR 964  -4.770  -3.413   8.497
  364   3HG2  THR 964          3HG2      THR 964  -4.727  -2.757  10.133
  365    H    LEU 965           H        LEU 965  -1.180  -1.836   6.713
  366    HA   LEU 965           HA       LEU 965  -2.042  -4.223   5.413
  367   1HB   LEU 965          HB1       LEU 965  -1.570  -2.410   3.999
  368   2HB   LEU 965          HB2       LEU 965  -0.041  -2.078   4.780
  369    HG   LEU 965           HG       LEU 965  -0.308  -4.663   3.324
  370   1HD1  LEU 965          1HD1      LEU 965   0.055  -1.989   1.982
  371   2HD1  LEU 965          2HD1      LEU 965   0.268  -3.564   1.216
  372   3HD1  LEU 965          3HD1      LEU 965  -1.325  -3.070   1.792
  373   1HD2  LEU 965          1HD2      LEU 965   1.753  -4.144   4.500
  374   2HD2  LEU 965          2HD2      LEU 965   2.030  -4.132   2.758
  375   3HD2  LEU 965          3HD2      LEU 965   1.884  -2.609   3.637
  376    H    LEU 966           H        LEU 966   0.970  -3.171   6.914
  377    HA   LEU 966           HA       LEU 966   2.531  -5.412   6.649
  378   1HB   LEU 966          HB1       LEU 966   3.248  -3.290   7.679
  379   2HB   LEU 966          HB2       LEU 966   2.291  -3.657   9.098
  380    HG   LEU 966           HG       LEU 966   4.416  -5.600   8.302
  381   1HD1  LEU 966          1HD1      LEU 966   5.509  -3.410   8.116
  382   2HD1  LEU 966          2HD1      LEU 966   4.948  -2.997   9.736
  383   3HD1  LEU 966          3HD1      LEU 966   6.097  -4.314   9.512
  384   1HD2  LEU 966          1HD2      LEU 966   2.921  -6.070  10.195
  385   2HD2  LEU 966          2HD2      LEU 966   4.592  -5.870  10.719
  386   3HD2  LEU 966          3HD2      LEU 966   3.430  -4.566  10.964
  387    H    ALA 967           H        ALA 967  -0.132  -4.933   8.932
  388    HA   ALA 967           HA       ALA 967   0.221  -7.302  10.409
  389   1HB   ALA 967          HB1       ALA 967  -1.349  -5.544  11.081
  390   2HB   ALA 967          HB2       ALA 967  -2.378  -5.940   9.705
  391   3HB   ALA 967          HB3       ALA 967  -2.138  -7.119  10.994
  392    H    THR 968           H        THR 968  -1.836  -6.700   7.559
  393    HA   THR 968           HA       THR 968  -2.475  -9.328   6.944
  394    HB   THR 968           HB       THR 968  -2.175  -6.842   5.305
  395    HG1  THR 968           HG1      THR 968  -4.514  -8.177   5.138
  396   1HG2  THR 968          1HG2      THR 968  -1.447  -8.629   3.825
  397   2HG2  THR 968          2HG2      THR 968  -2.892  -9.561   4.223
  398   3HG2  THR 968          3HG2      THR 968  -3.036  -8.032   3.353
  399    H    VAL 969           H        VAL 969   0.383  -7.453   5.861
  400    HA   VAL 969           HA       VAL 969   1.668  -9.389   4.402
  401    HB   VAL 969           HB       VAL 969   2.837  -7.295   6.240
  402   1HG1  VAL 969          1HG1      VAL 969   4.483  -9.083   5.937
  403   2HG1  VAL 969          2HG1      VAL 969   4.295  -8.960   4.188
  404   3HG1  VAL 969          3HG1      VAL 969   4.969  -7.609   5.099
  405   1HG2  VAL 969          1HG2      VAL 969   2.489  -7.422   3.249
  406   2HG2  VAL 969          2HG2      VAL 969   1.559  -6.429   4.372
  407   3HG2  VAL 969          3HG2      VAL 969   3.279  -6.117   4.134
  408    H    ASP 970           H        ASP 970   1.351  -9.179   7.886
  409    HA   ASP 970           HA       ASP 970   3.256 -11.222   8.456
  410   1HB   ASP 970          HB1       ASP 970   2.648  -9.601  10.166
  411   2HB   ASP 970          HB2       ASP 970   0.969 -10.122  10.099
  412    H    GLU 971           H        GLU 971  -0.140 -11.293   7.625
  413    HA   GLU 971           HA       GLU 971  -0.476 -14.082   8.113
  414   1HB   GLU 971          HB1       GLU 971  -1.787 -12.406   5.961
  415   2HB   GLU 971          HB2       GLU 971  -2.373 -13.934   6.607
  416   1HG   GLU 971          HG1       GLU 971  -2.061 -11.424   8.224
  417   2HG   GLU 971          HG2       GLU 971  -3.568 -11.935   7.450
  418    H    SER 972           H        SER 972   0.520 -12.160   5.331
  419    HA   SER 972           HA       SER 972   0.995 -14.306   3.588
  420   1HB   SER 972          HB1       SER 972   0.609 -11.990   2.875
  421   2HB   SER 972          HB2       SER 972   2.142 -11.509   3.613
  422    HG   SER 972           HG       SER 972   3.244 -12.591   2.089
  423    H    LEU 973           H        LEU 973   2.799 -12.972   6.207
  424    HA   LEU 973           HA       LEU 973   5.407 -13.610   5.408
  425   1HB   LEU 973          HB1       LEU 973   4.488 -12.201   7.425
  426   2HB   LEU 973          HB2       LEU 973   4.598 -13.719   8.291
  427    HG   LEU 973           HG       LEU 973   6.558 -12.249   8.641
  428   1HD1  LEU 973          1HD1      LEU 973   8.286 -13.931   8.238
  429   2HD1  LEU 973          2HD1      LEU 973   6.820 -14.651   8.905
  430   3HD1  LEU 973          3HD1      LEU 973   7.179 -14.814   7.185
  431   1HD2  LEU 973          1HD2      LEU 973   8.156 -11.915   6.825
  432   2HD2  LEU 973          2HD2      LEU 973   7.056 -12.717   5.704
  433   3HD2  LEU 973          3HD2      LEU 973   6.595 -11.187   6.448
  434    HA   PRO 974           HA       PRO 974   4.929 -17.976   7.514
  435   1HB   PRO 974          HB1       PRO 974   2.273 -18.830   7.509
  436   2HB   PRO 974          HB2       PRO 974   3.213 -18.395   8.941
  437   1HG   PRO 974          HG1       PRO 974   1.229 -16.795   7.411
  438   2HG   PRO 974          HG2       PRO 974   1.565 -16.812   9.151
  439   1HD   PRO 974          HD1       PRO 974   2.410 -14.814   7.561
  440   2HD   PRO 974          HD2       PRO 974   3.364 -15.374   8.946
  441    H    VAL 975           H        VAL 975   2.727 -16.579   5.130
  442    HA   VAL 975           HA       VAL 975   2.857 -18.933   3.420
  443    HB   VAL 975           HB       VAL 975   2.224 -16.246   2.295
  444   1HG1  VAL 975          1HG1      VAL 975   2.289 -18.206   0.848
  445   2HG1  VAL 975          2HG1      VAL 975   1.123 -19.027   1.886
  446   3HG1  VAL 975          3HG1      VAL 975   0.644 -17.586   0.987
  447   1HG2  VAL 975          1HG2      VAL 975   0.356 -17.882   4.008
  448   2HG2  VAL 975          2HG2      VAL 975   1.022 -16.301   4.417
  449   3HG2  VAL 975          3HG2      VAL 975  -0.090 -16.464   3.058
  450    H    LEU 976           H        LEU 976   4.948 -16.358   4.101
  451    HA   LEU 976           HA       LEU 976   6.370 -16.198   1.683
  452   1HB   LEU 976          HB1       LEU 976   6.693 -14.408   3.097
  453   2HB   LEU 976          HB2       LEU 976   6.958 -15.411   4.508
  454    HG   LEU 976           HG       LEU 976   8.997 -15.401   2.314
  455   1HD1  LEU 976          1HD1      LEU 976   8.738 -13.287   4.451
  456   2HD1  LEU 976          2HD1      LEU 976  10.093 -13.476   3.338
  457   3HD1  LEU 976          3HD1      LEU 976   8.499 -13.041   2.722
  458   1HD2  LEU 976          1HD2      LEU 976   9.240 -16.946   4.213
  459   2HD2  LEU 976          2HD2      LEU 976  10.532 -15.746   4.168
  460   3HD2  LEU 976          3HD2      LEU 976   9.208 -15.575   5.321
  461    HA   PRO 977           HA       PRO 977   9.400 -19.577   3.434
  462   1HB   PRO 977          HB1       PRO 977   7.658 -20.994   5.361
  463   2HB   PRO 977          HB2       PRO 977   9.375 -20.595   5.481
  464   1HG   PRO 977          HG1       PRO 977   7.547 -19.302   6.935
  465   2HG   PRO 977          HG2       PRO 977   8.960 -18.463   6.266
  466   1HD   PRO 977          HD1       PRO 977   6.130 -18.487   5.293
  467   2HD   PRO 977          HD2       PRO 977   7.280 -17.139   5.386
  468    H    ALA 978           H        ALA 978   5.908 -20.046   3.391
  469    HA   ALA 978           HA       ALA 978   5.876 -22.574   2.165
  470   1HB   ALA 978          HB1       ALA 978   3.896 -21.547   3.178
  471   2HB   ALA 978          HB2       ALA 978   3.860 -20.347   1.888
  472   3HB   ALA 978          HB3       ALA 978   3.588 -22.049   1.515
  473    H    SER 979           H        SER 979   5.568 -19.340   0.639
  474    HA   SER 979           HA       SER 979   6.960 -20.174  -1.721
  475   1HB   SER 979          HB1       SER 979   3.946 -20.088  -1.705
  476   2HB   SER 979          HB2       SER 979   4.856 -19.791  -3.193
  477    HG   SER 979           HG       SER 979   5.549 -22.041  -1.692
  478    H    THR 980           H        THR 980   4.832 -17.874  -0.170
  479    HA   THR 980           HA       THR 980   4.805 -15.804  -1.996
  480    HB   THR 980           HB       THR 980   4.703 -15.607   1.007
  481    HG1  THR 980           HG1      THR 980   2.492 -15.874   0.678
  482   1HG2  THR 980          1HG2      THR 980   5.048 -13.423  -0.033
  483   2HG2  THR 980          2HG2      THR 980   3.700 -13.726  -1.131
  484   3HG2  THR 980          3HG2      THR 980   3.408 -13.564   0.601
  485    H    HIS 981           H        HIS 981   7.535 -16.635   0.056
  486    HA   HIS 981           HA       HIS 981   8.595 -14.165   0.596
  487   1HB   HIS 981          HB1       HIS 981  10.801 -15.179   0.759
  488   2HB   HIS 981          HB2       HIS 981   9.583 -16.212   1.482
  489    HD1  HIS 981           HD1      HIS 981   9.330 -18.555   0.538
  490    HD2  HIS 981           HD2      HIS 981  11.982 -16.187  -1.616
  491    HE1  HIS 981           HE1      HIS 981  10.552 -20.130  -1.001
  492    HE2  HIS 981           HE2      HIS 981  12.325 -18.706  -2.089
  493    H    ARG 982           H        ARG 982   8.795 -15.822  -2.490
  494    HA   ARG 982           HA       ARG 982  10.560 -14.036  -3.748
  495   1HB   ARG 982          HB1       ARG 982   8.197 -15.496  -4.923
  496   2HB   ARG 982          HB2       ARG 982   9.356 -14.592  -5.884
  497   1HG   ARG 982          HG1       ARG 982  11.137 -16.101  -4.918
  498   2HG   ARG 982          HG2       ARG 982   9.817 -17.090  -4.284
  499   1HD   ARG 982          HD1       ARG 982  10.277 -16.388  -7.184
  500   2HD   ARG 982          HD2       ARG 982  10.612 -17.946  -6.432
  501    HE   ARG 982           HE       ARG 982   8.296 -18.360  -6.282
  502   1HH1  ARG 982          2HH1      ARG 982   9.023 -15.326  -7.884
  503   2HH1  ARG 982          1HH1      ARG 982   7.443 -15.165  -8.592
  504   1HH2  ARG 982          2HH2      ARG 982   6.218 -18.170  -7.259
  505   2HH2  ARG 982          1HH2      ARG 982   5.859 -16.783  -8.251
  506    H    GLU 983           H        GLU 983   6.965 -13.861  -3.738
  507    HA   GLU 983           HA       GLU 983   7.015 -11.356  -5.081
  508   1HB   GLU 983          HB1       GLU 983   5.082 -13.237  -4.793
  509   2HB   GLU 983          HB2       GLU 983   4.562 -12.045  -3.622
  510   1HG   GLU 983          HG1       GLU 983   3.559 -11.101  -5.388
  511   2HG   GLU 983          HG2       GLU 983   5.185 -10.462  -5.718
  512    H    ILE 984           H        ILE 984   6.349 -12.333  -1.742
  513    HA   ILE 984           HA       ILE 984   5.273  -9.908  -0.921
  514    HB   ILE 984           HB       ILE 984   5.100 -11.947   0.415
  515   1HG1  ILE 984          1HG1      ILE 984   6.433  -9.660   1.889
  516   2HG1  ILE 984          2HG1      ILE 984   4.724  -9.766   1.478
  517   1HG2  ILE 984          1HG2      ILE 984   6.980 -12.654   1.843
  518   2HG2  ILE 984          2HG2      ILE 984   7.330 -12.840   0.124
  519   3HG2  ILE 984          3HG2      ILE 984   8.019 -11.488   1.024
  520   1HD1  ILE 984          1HD1      ILE 984   6.224 -11.579   3.352
  521   2HD1  ILE 984          2HD1      ILE 984   5.066 -10.326   3.797
  522   3HD1  ILE 984          3HD1      ILE 984   4.525 -11.752   2.909
  523    H    GLU 985           H        GLU 985   8.635 -10.938  -1.150
  524    HA   GLU 985           HA       GLU 985   9.601  -8.618   0.203
  525   1HB   GLU 985          HB1       GLU 985  11.814  -9.358  -0.330
  526   2HB   GLU 985          HB2       GLU 985  10.863 -10.746   0.162
  527   1HG   GLU 985          HG1       GLU 985  11.990 -11.612  -1.611
  528   2HG   GLU 985          HG2       GLU 985  10.528 -11.045  -2.413
  529    H    MET 986           H        MET 986   8.905  -9.389  -3.191
  530    HA   MET 986           HA       MET 986  10.401  -7.257  -4.240
  531   1HB   MET 986          HB1       MET 986   9.263  -7.485  -6.308
  532   2HB   MET 986          HB2       MET 986   9.507  -9.088  -5.645
  533   1HG   MET 986          HG1       MET 986   7.203  -9.218  -4.987
  534   2HG   MET 986          HG2       MET 986   6.925  -7.551  -5.495
  535   1HE   MET 986          HE1       MET 986   7.986 -10.956  -8.432
  536   2HE   MET 986          HE2       MET 986   9.172 -10.181  -7.383
  537   3HE   MET 986          HE3       MET 986   7.893 -11.175  -6.685
  538    H    ALA 987           H        ALA 987   6.914  -7.316  -3.507
  539    HA   ALA 987           HA       ALA 987   6.678  -4.528  -4.063
  540   1HB   ALA 987          HB1       ALA 987   4.868  -6.084  -4.589
  541   2HB   ALA 987          HB2       ALA 987   4.647  -6.391  -2.866
  542   3HB   ALA 987          HB3       ALA 987   4.345  -4.781  -3.521
  543    H    GLN 988           H        GLN 988   6.991  -6.485  -1.128
  544    HA   GLN 988           HA       GLN 988   6.045  -4.536   0.646
  545   1HB   GLN 988          HB1       GLN 988   6.373  -6.767   1.456
  546   2HB   GLN 988          HB2       GLN 988   8.089  -6.711   1.086
  547   1HG   GLN 988          HG1       GLN 988   8.414  -5.008   2.800
  548   2HG   GLN 988          HG2       GLN 988   6.689  -5.039   3.163
  549   1HE2  GLN 988          2HE2      GLN 988   7.120  -5.585   5.300
  550   2HE2  GLN 988          1HE2      GLN 988   7.605  -7.186   5.746
  551    H    LYS 989           H        LYS 989   9.366  -5.112  -0.531
  552    HA   LYS 989           HA       LYS 989  10.526  -2.954   0.896
  553   1HB   LYS 989          HB1       LYS 989  11.434  -4.009  -1.791
  554   2HB   LYS 989          HB2       LYS 989  12.399  -3.111  -0.630
  555   1HG   LYS 989          HG1       LYS 989  12.082  -5.032   0.960
  556   2HG   LYS 989          HG2       LYS 989  11.380  -5.927  -0.388
  557   1HD   LYS 989          HD1       LYS 989  14.188  -4.876  -0.110
  558   2HD   LYS 989          HD2       LYS 989  13.666  -6.551  -0.283
  559   1HE   LYS 989          HE1       LYS 989  13.436  -4.403  -2.389
  560   2HE   LYS 989          HE2       LYS 989  14.653  -5.677  -2.347
  561   1HZ   LYS 989          HZ1       LYS 989  12.924  -7.322  -2.608
  562   2HZ   LYS 989          HZ2       LYS 989  11.727  -6.123  -2.569
  563   3HZ   LYS 989          HZ3       LYS 989  12.823  -6.180  -3.860
  564    H    LEU 990           H        LEU 990   8.842  -3.258  -2.128
  565    HA   LEU 990           HA       LEU 990   9.305  -0.678  -3.158
  566   1HB   LEU 990          HB1       LEU 990   8.535  -2.104  -4.758
  567   2HB   LEU 990          HB2       LEU 990   7.492  -2.964  -3.648
  568    HG   LEU 990           HG       LEU 990   5.846  -1.153  -3.811
  569   1HD1  LEU 990          1HD1      LEU 990   7.725  -0.047  -5.907
  570   2HD1  LEU 990          2HD1      LEU 990   6.085   0.526  -5.601
  571   3HD1  LEU 990          3HD1      LEU 990   7.328   0.709  -4.363
  572   1HD2  LEU 990          1HD2      LEU 990   6.711  -2.358  -6.428
  573   2HD2  LEU 990          2HD2      LEU 990   5.653  -3.093  -5.222
  574   3HD2  LEU 990          3HD2      LEU 990   5.126  -1.653  -6.095
  575    H    LEU 991           H        LEU 991   6.623  -1.989  -1.212
  576    HA   LEU 991           HA       LEU 991   5.086   0.286  -0.844
  577   1HB   LEU 991          HB1       LEU 991   5.730  -1.644   1.372
  578   2HB   LEU 991          HB2       LEU 991   4.280  -0.680   1.178
  579    HG   LEU 991           HG       LEU 991   5.006  -2.821  -0.791
  580   1HD1  LEU 991          1HD1      LEU 991   4.973  -3.843   1.427
  581   2HD1  LEU 991          2HD1      LEU 991   3.417  -3.087   1.768
  582   3HD1  LEU 991          3HD1      LEU 991   3.543  -4.315   0.510
  583   1HD2  LEU 991          1HD2      LEU 991   3.286  -1.178  -1.408
  584   2HD2  LEU 991          2HD2      LEU 991   2.608  -2.793  -1.202
  585   3HD2  LEU 991          3HD2      LEU 991   2.390  -1.579   0.057
  586    H    ASN 992           H        ASN 992   7.598  -0.922   1.362
  587    HA   ASN 992           HA       ASN 992   7.654   1.177   3.146
  588   1HB   ASN 992          HB1       ASN 992   8.872  -0.943   3.471
  589   2HB   ASN 992          HB2       ASN 992  10.014  -0.481   2.213
  590   1HD2  ASN 992          2HD2      ASN 992  11.593   1.035   2.666
  591   2HD2  ASN 992          1HD2      ASN 992  11.927   1.589   4.270
  592    H    SER 993           H        SER 993   9.395   0.808   0.118
  593    HA   SER 993           HA       SER 993  10.937   3.145   0.261
  594   1HB   SER 993          HB1       SER 993  11.440   1.359  -1.319
  595   2HB   SER 993          HB2       SER 993   9.898   1.604  -2.135
  596    HG   SER 993           HG       SER 993  10.613   3.562  -2.887
  597    H    ASP 994           H        ASP 994   7.795   2.549  -1.360
  598    HA   ASP 994           HA       ASP 994   7.836   5.294  -2.287
  599   1HB   ASP 994          HB1       ASP 994   6.175   2.913  -2.948
  600   2HB   ASP 994          HB2       ASP 994   5.548   4.520  -3.313
  601    H    LEU 995           H        LEU 995   5.714   3.353  -0.144
  602    HA   LEU 995           HA       LEU 995   3.886   5.332   0.485
  603   1HB   LEU 995          HB1       LEU 995   3.956   2.914   1.353
  604   2HB   LEU 995          HB2       LEU 995   5.034   3.513   2.598
  605    HG   LEU 995           HG       LEU 995   2.863   5.248   2.673
  606   1HD1  LEU 995          1HD1      LEU 995   1.922   2.412   2.355
  607   2HD1  LEU 995          2HD1      LEU 995   0.936   3.773   2.889
  608   3HD1  LEU 995          3HD1      LEU 995   1.599   3.754   1.255
  609   1HD2  LEU 995          1HD2      LEU 995   4.127   4.496   4.588
  610   2HD2  LEU 995          2HD2      LEU 995   2.414   4.149   4.822
  611   3HD2  LEU 995          3HD2      LEU 995   3.521   2.853   4.373
  612    H    ALA 996           H        ALA 996   6.889   4.619   2.319
  613    HA   ALA 996           HA       ALA 996   6.985   6.901   3.839
  614   1HB   ALA 996          HB1       ALA 996   9.356   5.498   2.616
  615   2HB   ALA 996          HB2       ALA 996   9.390   6.570   4.017
  616   3HB   ALA 996          HB3       ALA 996   8.537   5.029   4.107
  617    H    GLU 997           H        GLU 997   8.177   6.528   0.539
  618    HA   GLU 997           HA       GLU 997   9.368   9.066   0.310
  619   1HB   GLU 997          HB1       GLU 997   8.047   7.338  -1.746
  620   2HB   GLU 997          HB2       GLU 997   8.631   8.950  -2.153
  621   1HG   GLU 997          HG1       GLU 997  10.856   8.285  -1.307
  622   2HG   GLU 997          HG2       GLU 997  10.237   6.649  -1.093
  623    H    LEU 998           H        LEU 998   6.041   8.035  -0.112
  624    HA   LEU 998           HA       LEU 998   5.019  10.535  -0.922
  625   1HB   LEU 998          HB1       LEU 998   3.869   7.999   0.084
  626   2HB   LEU 998          HB2       LEU 998   2.866   9.431   0.235
  627    HG   LEU 998           HG       LEU 998   2.370   8.219  -1.825
  628   1HD1  LEU 998          1HD1      LEU 998   2.094  10.636  -1.776
  629   2HD1  LEU 998          2HD1      LEU 998   3.767  10.848  -2.294
  630   3HD1  LEU 998          3HD1      LEU 998   2.597  10.092  -3.376
  631   1HD2  LEU 998          1HD2      LEU 998   4.037   8.111  -3.621
  632   2HD2  LEU 998          2HD2      LEU 998   5.251   8.769  -2.523
  633   3HD2  LEU 998          3HD2      LEU 998   4.537   7.190  -2.202
  634    H    ILE 999           H        ILE 999   5.622   9.125   2.247
  635    HA   ILE 999           HA       ILE 999   4.090  11.135   3.605
  636    HB   ILE 999           HB       ILE 999   4.832  10.303   5.678
  637   1HG1  ILE 999          1HG1      ILE 999   7.062   8.828   4.262
  638   2HG1  ILE 999          2HG1      ILE 999   7.264  10.302   5.204
  639   1HG2  ILE 999          1HG2      ILE 999   3.343   8.792   4.517
  640   2HG2  ILE 999          2HG2      ILE 999   4.715   7.987   3.755
  641   3HG2  ILE 999          3HG2      ILE 999   4.490   7.881   5.501
  642   1HD1  ILE 999          1HD1      ILE 999   6.306   7.650   6.262
  643   2HD1  ILE 999          2HD1      ILE 999   7.919   8.334   6.469
  644   3HD1  ILE 999          3HD1      ILE 999   6.525   9.124   7.206
  645    H    ASN1000           H        ASN1000   6.913  11.319   1.913
  646    HA   ASN1000           HA       ASN1000   7.841  13.621   3.510
  647   1HB   ASN1000          HB1       ASN1000   9.434  11.828   1.642
  648   2HB   ASN1000          HB2       ASN1000  10.038  13.317   2.357
  649   1HD2  ASN1000          2HD2      ASN1000   8.767  10.146   3.100
  650   2HD2  ASN1000          1HD2      ASN1000   9.674   9.926   4.558
  651    H    LYS1001           H        LYS1001   6.527  12.427   0.538
  652    HA   LYS1001           HA       LYS1001   7.159  14.742  -1.008
  653   1HB   LYS1001          HB1       LYS1001   4.741  12.961  -1.377
  654   2HB   LYS1001          HB2       LYS1001   5.499  13.988  -2.579
  655   1HG   LYS1001          HG1       LYS1001   6.678  11.501  -1.370
  656   2HG   LYS1001          HG2       LYS1001   5.984  11.653  -2.981
  657   1HD   LYS1001          HD1       LYS1001   8.329  13.292  -2.058
  658   2HD   LYS1001          HD2       LYS1001   8.512  11.712  -2.817
  659   1HE   LYS1001          HE1       LYS1001   6.972  12.776  -4.659
  660   2HE   LYS1001          HE2       LYS1001   7.579  14.290  -3.986
  661   1HZ   LYS1001          HZ1       LYS1001   9.216  12.062  -5.068
  662   2HZ   LYS1001          HZ2       LYS1001   8.980  13.575  -5.794
  663   3HZ   LYS1001          HZ3       LYS1001   9.850  13.459  -4.341
  664    H    MET1002           H        MET1002   4.640  13.801   1.228
  665    HA   MET1002           HA       MET1002   3.076  16.168   0.856
  666   1HB   MET1002          HB1       MET1002   3.038  14.359   3.257
  667   2HB   MET1002          HB2       MET1002   1.724  15.333   2.603
  668   1HG   MET1002          HG1       MET1002   2.939  12.883   1.354
  669   2HG   MET1002          HG2       MET1002   1.367  12.991   2.149
  670   1HE   MET1002          HE1       MET1002   0.042  11.984   0.164
  671   2HE   MET1002          HE2       MET1002   0.239  12.485  -1.516
  672   3HE   MET1002          HE3       MET1002   1.572  11.704  -0.667
  673    H    LYS1003           H        LYS1003   5.381  14.924   3.269
  674    HA   LYS1003           HA       LYS1003   5.669  17.212   4.813
  675   1HB   LYS1003          HB1       LYS1003   6.796  15.171   5.430
  676   2HB   LYS1003          HB2       LYS1003   7.714  15.167   3.934
  677   1HG   LYS1003          HG1       LYS1003   9.132  15.830   5.758
  678   2HG   LYS1003          HG2       LYS1003   8.891  17.193   4.665
  679   1HD   LYS1003          HD1       LYS1003   8.775  17.891   7.007
  680   2HD   LYS1003          HD2       LYS1003   7.234  18.133   6.188
  681   1HE   LYS1003          HE1       LYS1003   6.262  16.265   7.256
  682   2HE   LYS1003          HE2       LYS1003   7.830  15.674   7.808
  683   1HZ   LYS1003          HZ1       LYS1003   7.959  17.289   9.440
  684   2HZ   LYS1003          HZ2       LYS1003   6.810  18.296   8.711
  685   3HZ   LYS1003          HZ3       LYS1003   6.319  16.867   9.480
  686    H    LEU1004           H        LEU1004   7.293  16.315   1.822
  687    HA   LEU1004           HA       LEU1004   8.713  18.682   1.376
  688   1HB   LEU1004          HB1       LEU1004   7.726  16.511  -0.394
  689   2HB   LEU1004          HB2       LEU1004   8.331  17.980  -1.143
  690    HG   LEU1004           HG       LEU1004   9.866  16.169   0.726
  691   1HD1  LEU1004          1HD1      LEU1004   9.554  15.195  -1.468
  692   2HD1  LEU1004          2HD1      LEU1004  10.133  16.676  -2.231
  693   3HD1  LEU1004          3HD1      LEU1004  11.231  15.702  -1.254
  694   1HD2  LEU1004          1HD2      LEU1004  10.534  18.486   1.031
  695   2HD2  LEU1004          2HD2      LEU1004  11.794  17.585   0.187
  696   3HD2  LEU1004          3HD2      LEU1004  10.738  18.674  -0.712
  697    H    ALA1005           H        ALA1005   5.451  17.837   0.189
  698    HA   ALA1005           HA       ALA1005   4.966  20.213  -1.201
  699   1HB   ALA1005          HB1       ALA1005   3.519  18.240  -1.367
  700   2HB   ALA1005          HB2       ALA1005   2.967  18.509   0.287
  701   3HB   ALA1005          HB3       ALA1005   2.592  19.688  -0.970
  702    H    GLN1006           H        GLN1006   4.386  19.363   2.169
  703    HA   GLN1006           HA       GLN1006   3.405  21.956   2.894
  704   1HB   GLN1006          HB1       GLN1006   3.007  21.004   4.969
  705   2HB   GLN1006          HB2       GLN1006   3.016  19.571   3.944
  706   1HG   GLN1006          HG1       GLN1006   4.337  18.804   5.582
  707   2HG   GLN1006          HG2       GLN1006   5.578  19.580   4.602
  708   1HE2  GLN1006          2HE2      GLN1006   3.255  21.322   6.557
  709   2HE2  GLN1006          1HE2      GLN1006   4.390  21.912   7.724
  710    H    GLN1007           H        GLN1007   6.439  20.564   2.398
  711    HA   GLN1007           HA       GLN1007   7.982  22.250   4.138
  712   1HB   GLN1007          HB1       GLN1007   8.608  19.880   3.378
  713   2HB   GLN1007          HB2       GLN1007   8.980  20.604   1.816
  714   1HG   GLN1007          HG1       GLN1007  10.959  20.242   3.202
  715   2HG   GLN1007          HG2       GLN1007  10.725  21.936   2.769
  716   1HE2  GLN1007          2HE2      GLN1007   8.836  20.339   5.235
  717   2HE2  GLN1007          1HE2      GLN1007   9.520  21.186   6.577
  718    H    TYR1008           H        TYR1008   7.108  22.127   0.765
  719    HA   TYR1008           HA       TYR1008   8.741  24.308  -0.077
  720   1HB   TYR1008          HB1       TYR1008   7.632  22.391  -1.456
  721   2HB   TYR1008          HB2       TYR1008   6.215  23.429  -1.451
  722    HD1  TYR1008           HD1      TYR1008   6.277  23.515  -3.899
  723    HD2  TYR1008           HD2      TYR1008   9.526  24.961  -1.564
  724    HE1  TYR1008           HE1      TYR1008   7.172  24.670  -5.879
  725    HE2  TYR1008           HE2      TYR1008  10.422  26.134  -3.531
  726    HH   TYR1008           HH       TYR1008   8.672  26.632  -6.350
  727    H    VAL1009           H        VAL1009   5.221  23.994   0.065
  728    HA   VAL1009           HA       VAL1009   3.554  25.548   0.195
  729    HB   VAL1009           HB       VAL1009   4.110  24.800   2.515
  730   1HG1  VAL1009          1HG1      VAL1009   5.464  27.475   2.752
  731   2HG1  VAL1009          2HG1      VAL1009   5.129  26.360   4.076
  732   3HG1  VAL1009          3HG1      VAL1009   6.255  25.898   2.799
  733   1HG2  VAL1009          1HG2      VAL1009   2.717  26.483   3.633
  734   2HG2  VAL1009          2HG2      VAL1009   2.906  27.545   2.236
  735   3HG2  VAL1009          3HG2      VAL1009   2.065  26.003   2.066
  736    H    MET1010           H        MET1010   5.507  26.540  -1.504
  737    HA   MET1010           HA       MET1010   6.104  29.270  -0.711
  738   1HB   MET1010          HB1       MET1010   7.792  27.774  -1.821
  739   2HB   MET1010          HB2       MET1010   6.814  27.847  -3.279
  740   1HG   MET1010          HG1       MET1010   7.150  30.241  -3.417
  741   2HG   MET1010          HG2       MET1010   8.076  30.211  -1.915
  742   1HE   MET1010          HE1       MET1010  10.219  31.348  -2.884
  743   2HE   MET1010          HE2       MET1010  10.923  30.928  -4.446
  744   3HE   MET1010          HE3       MET1010   9.299  31.612  -4.364
  745    H    THR1011           H        THR1011   4.473  30.623  -0.911
  746    HA   THR1011           HA       THR1011   2.621  31.690  -1.664
  747    HB   THR1011           HB       THR1011   2.832  32.605  -3.979
  748    HG1  THR1011           HG1      THR1011   5.322  31.930  -4.547
  749   1HG2  THR1011          1HG2      THR1011   4.888  33.884  -3.517
  750   2HG2  THR1011          2HG2      THR1011   3.854  33.753  -2.096
  751   3HG2  THR1011          3HG2      THR1011   5.293  32.745  -2.235
  752    H    SER1012           H        SER1012   2.921  30.423  -4.878
  753    HA   SER1012           HA       SER1012   0.718  28.539  -4.414
  754   1HB   SER1012          HB1       SER1012   0.807  30.599  -6.634
  755   2HB   SER1012          HB2       SER1012  -0.423  29.346  -6.449
  756    HG   SER1012           HG       SER1012  -0.357  30.520  -4.142
  757    H    LEU1013           H        LEU1013   3.746  28.801  -5.178
  758    HA   LEU1013           HA       LEU1013   3.865  27.231  -7.607
  759   1HB   LEU1013          HB1       LEU1013   5.924  28.316  -5.710
  760   2HB   LEU1013          HB2       LEU1013   6.364  27.122  -6.911
  761    HG   LEU1013           HG       LEU1013   6.927  29.304  -7.740
  762   1HD1  LEU1013          1HD1      LEU1013   4.452  28.292  -9.125
  763   2HD1  LEU1013          2HD1      LEU1013   5.683  29.343  -9.826
  764   3HD1  LEU1013          3HD1      LEU1013   6.093  27.691  -9.365
  765   1HD2  LEU1013          1HD2      LEU1013   5.252  31.043  -8.102
  766   2HD2  LEU1013          2HD2      LEU1013   4.037  30.040  -7.308
  767   3HD2  LEU1013          3HD2      LEU1013   5.416  30.646  -6.391
  768    H    GLN1014           H        GLN1014   3.198  26.621  -4.450
  769    HA   GLN1014           HA       GLN1014   4.534  24.255  -3.828
  770   1HB   GLN1014          HB1       GLN1014   3.080  25.626  -2.297
  771   2HB   GLN1014          HB2       GLN1014   1.678  24.950  -3.109
  772   1HG   GLN1014          HG1       GLN1014   3.545  22.933  -2.127
  773   2HG   GLN1014          HG2       GLN1014   2.865  23.950  -0.860
  774   1HE2  GLN1014          2HE2      GLN1014   2.202  21.549  -3.276
  775   2HE2  GLN1014          1HE2      GLN1014   0.590  21.189  -2.764
  776    H    GLN1015           H        GLN1015   1.871  24.871  -5.996
  777    HA   GLN1015           HA       GLN1015   0.824  22.329  -6.274
  778   1HB   GLN1015          HB1       GLN1015  -0.447  23.201  -7.898
  779   2HB   GLN1015          HB2       GLN1015   0.286  24.724  -7.431
  780   1HG   GLN1015          HG1       GLN1015   1.413  22.990  -9.609
  781   2HG   GLN1015          HG2       GLN1015   0.162  24.192  -9.905
  782   1HE2  GLN1015          2HE2      GLN1015   1.444  25.407 -11.249
  783   2HE2  GLN1015          1HE2      GLN1015   2.794  26.330 -10.680
  784    H    GLU1016           H        GLU1016   3.751  23.627  -7.846
  785    HA   GLU1016           HA       GLU1016   4.446  21.490  -9.426
  786   1HB   GLU1016          HB1       GLU1016   5.818  23.484  -9.276
  787   2HB   GLU1016          HB2       GLU1016   6.226  23.116  -7.605
  788   1HG   GLU1016          HG1       GLU1016   7.422  21.123  -8.322
  789   2HG   GLU1016          HG2       GLU1016   6.986  21.455  -9.994
  790    H    TYR1017           H        TYR1017   5.295  21.861  -6.038
  791    HA   TYR1017           HA       TYR1017   6.219  19.240  -5.639
  792   1HB   TYR1017          HB1       TYR1017   5.334  21.407  -3.814
  793   2HB   TYR1017          HB2       TYR1017   5.392  19.775  -3.149
  794    HD1  TYR1017           HD1      TYR1017   7.252  20.055  -1.654
  795    HD2  TYR1017           HD2      TYR1017   7.647  21.086  -5.770
  796    HE1  TYR1017           HE1      TYR1017   9.684  20.217  -1.385
  797    HE2  TYR1017           HE2      TYR1017  10.081  21.259  -5.495
  798    HH   TYR1017           HH       TYR1017  11.674  21.746  -3.494
  799    H    LYS1018           H        LYS1018   2.931  20.540  -5.313
  800    HA   LYS1018           HA       LYS1018   1.649  18.162  -4.631
  801   1HB   LYS1018          HB1       LYS1018   0.654  20.485  -4.739
  802   2HB   LYS1018          HB2       LYS1018   0.535  20.281  -6.479
  803   1HG   LYS1018          HG1       LYS1018  -0.736  18.287  -4.650
  804   2HG   LYS1018          HG2       LYS1018  -1.527  19.829  -4.970
  805   1HD   LYS1018          HD1       LYS1018  -1.496  19.355  -7.365
  806   2HD   LYS1018          HD2       LYS1018  -0.669  17.826  -7.060
  807   1HE   LYS1018          HE1       LYS1018  -2.984  17.350  -7.388
  808   2HE   LYS1018          HE2       LYS1018  -2.627  17.131  -5.677
  809   1HZ   LYS1018          HZ1       LYS1018  -4.711  18.304  -6.012
  810   2HZ   LYS1018          HZ2       LYS1018  -3.589  19.307  -5.237
  811   3HZ   LYS1018          HZ3       LYS1018  -3.917  19.525  -6.885
  812    H    LYS1019           H        LYS1019   2.699  19.324  -7.806
  813    HA   LYS1019           HA       LYS1019   1.575  17.274  -9.383
  814   1HB   LYS1019          HB1       LYS1019   2.450  19.232 -10.465
  815   2HB   LYS1019          HB2       LYS1019   4.036  18.992  -9.746
  816   1HG   LYS1019          HG1       LYS1019   4.294  18.318 -11.960
  817   2HG   LYS1019          HG2       LYS1019   4.107  16.808 -11.068
  818   1HD   LYS1019          HD1       LYS1019   2.747  16.590 -12.982
  819   2HD   LYS1019          HD2       LYS1019   1.640  16.942 -11.652
  820   1HE   LYS1019          HE1       LYS1019   1.557  19.278 -12.313
  821   2HE   LYS1019          HE2       LYS1019   2.715  18.972 -13.606
  822   1HZ   LYS1019          HZ1       LYS1019   0.620  18.969 -14.616
  823   2HZ   LYS1019          HZ2       LYS1019   1.034  17.328 -14.475
  824   3HZ   LYS1019          HZ3       LYS1019  -0.074  18.017 -13.393
  825    H    GLN1020           H        GLN1020   4.896  17.634  -8.218
  826    HA   GLN1020           HA       GLN1020   5.890  15.113  -8.675
  827   1HB   GLN1020          HB1       GLN1020   6.422  16.563  -6.083
  828   2HB   GLN1020          HB2       GLN1020   7.508  15.507  -6.973
  829   1HG   GLN1020          HG1       GLN1020   6.566  18.212  -7.889
  830   2HG   GLN1020          HG2       GLN1020   8.127  17.869  -7.155
  831   1HE2  GLN1020          2HE2      GLN1020   9.192  18.672  -8.957
  832   2HE2  GLN1020          1HE2      GLN1020   9.268  17.794 -10.454
  833    H    MET1021           H        MET1021   3.831  16.177  -6.051
  834    HA   MET1021           HA       MET1021   3.773  13.772  -4.589
  835   1HB   MET1021          HB1       MET1021   3.073  15.704  -3.453
  836   2HB   MET1021          HB2       MET1021   1.978  16.178  -4.739
  837   1HG   MET1021          HG1       MET1021   1.459  13.658  -3.245
  838   2HG   MET1021          HG2       MET1021   1.079  15.206  -2.494
  839   1HE   MET1021          HE1       MET1021  -1.070  12.929  -3.017
  840   2HE   MET1021          HE2       MET1021  -1.500  14.480  -2.295
  841   3HE   MET1021          HE3       MET1021  -2.427  13.854  -3.660
  842    H    LEU1022           H        LEU1022   1.712  15.004  -7.211
  843    HA   LEU1022           HA       LEU1022  -0.211  12.965  -7.159
  844   1HB   LEU1022          HB1       LEU1022   0.790  14.694  -9.410
  845   2HB   LEU1022          HB2       LEU1022  -0.512  13.541  -9.620
  846    HG   LEU1022           HG       LEU1022  -0.549  15.880  -7.711
  847   1HD1  LEU1022          1HD1      LEU1022  -0.627  16.558 -10.063
  848   2HD1  LEU1022          2HD1      LEU1022  -1.978  15.458 -10.334
  849   3HD1  LEU1022          3HD1      LEU1022  -2.169  16.838  -9.253
  850   1HD2  LEU1022          1HD2      LEU1022  -2.905  15.313  -7.422
  851   2HD2  LEU1022          2HD2      LEU1022  -2.705  13.912  -8.474
  852   3HD2  LEU1022          3HD2      LEU1022  -1.868  13.977  -6.922
  853    H    THR1023           H        THR1023   2.840  13.182  -8.948
  854    HA   THR1023           HA       THR1023   2.555  10.711 -10.307
  855    HB   THR1023           HB       THR1023   5.134  12.095  -9.533
  856    HG1  THR1023           HG1      THR1023   3.125  12.835 -11.219
  857   1HG2  THR1023          1HG2      THR1023   4.463  10.204 -11.793
  858   2HG2  THR1023          2HG2      THR1023   6.015  11.009 -11.556
  859   3HG2  THR1023          3HG2      THR1023   5.447   9.823 -10.379
  860    H    ALA1024           H        ALA1024   4.237  11.639  -7.348
  861    HA   ALA1024           HA       ALA1024   5.204   9.098  -6.646
  862   1HB   ALA1024          HB1       ALA1024   5.495  10.008  -4.405
  863   2HB   ALA1024          HB2       ALA1024   6.019  11.166  -5.630
  864   3HB   ALA1024          HB3       ALA1024   4.466  11.379  -4.820
  865    H    ALA1025           H        ALA1025   2.162  10.734  -5.815
  866    HA   ALA1025           HA       ALA1025   1.197   8.832  -3.994
  867   1HB   ALA1025          HB1       ALA1025   0.211  11.054  -4.223
  868   2HB   ALA1025          HB2       ALA1025  -0.384  10.633  -5.830
  869   3HB   ALA1025          HB3       ALA1025  -1.014   9.799  -4.410
  870    H    HIS1026           H        HIS1026   1.129   8.916  -7.503
  871    HA   HIS1026           HA       HIS1026  -0.613   6.654  -7.696
  872   1HB   HIS1026          HB1       HIS1026  -0.418   8.275  -9.560
  873   2HB   HIS1026          HB2       HIS1026   1.260   7.791  -9.790
  874    HD1  HIS1026           HD1      HIS1026   1.285   6.520 -11.944
  875    HD2  HIS1026           HD2      HIS1026  -1.912   5.430  -9.513
  876    HE1  HIS1026           HE1      HIS1026   0.122   4.642 -13.142
  877    HE2  HIS1026           HE2      HIS1026  -1.939   4.175 -11.774
  878    H    ALA1027           H        ALA1027   2.861   7.180  -7.645
  879    HA   ALA1027           HA       ALA1027   3.659   4.547  -8.197
  880   1HB   ALA1027          HB1       ALA1027   5.752   5.124  -7.089
  881   2HB   ALA1027          HB2       ALA1027   5.218   6.442  -8.133
  882   3HB   ALA1027          HB3       ALA1027   5.000   6.555  -6.386
  883    H    LEU1028           H        LEU1028   2.994   6.158  -5.074
  884    HA   LEU1028           HA       LEU1028   3.084   3.977  -3.380
  885   1HB   LEU1028          HB1       LEU1028   2.767   6.226  -2.558
  886   2HB   LEU1028          HB2       LEU1028   1.251   6.373  -3.415
  887    HG   LEU1028           HG       LEU1028   1.213   4.147  -1.517
  888   1HD1  LEU1028          1HD1      LEU1028   1.146   5.546   0.485
  889   2HD1  LEU1028          2HD1      LEU1028   2.735   5.606  -0.278
  890   3HD1  LEU1028          3HD1      LEU1028   1.611   6.952  -0.472
  891   1HD2  LEU1028          1HD2      LEU1028  -0.474   6.628  -1.830
  892   2HD2  LEU1028          2HD2      LEU1028  -0.758   5.085  -2.637
  893   3HD2  LEU1028          3HD2      LEU1028  -0.884   5.199  -0.881
  894    H    ALA1029           H        ALA1029   0.119   5.266  -4.871
  895    HA   ALA1029           HA       ALA1029  -1.537   3.202  -4.374
  896   1HB   ALA1029          HB1       ALA1029  -2.852   3.827  -6.326
  897   2HB   ALA1029          HB2       ALA1029  -2.247   5.259  -5.491
  898   3HB   ALA1029          HB3       ALA1029  -1.477   4.715  -6.983
  899    H    VAL1030           H        VAL1030   0.987   3.211  -6.821
  900    HA   VAL1030           HA       VAL1030   0.257   0.698  -7.949
  901    HB   VAL1030           HB       VAL1030   2.871   2.212  -8.043
  902   1HG1  VAL1030          1HG1      VAL1030   2.073  -0.296  -9.518
  903   2HG1  VAL1030          2HG1      VAL1030   3.510   0.667  -9.853
  904   3HG1  VAL1030          3HG1      VAL1030   3.343  -0.157  -8.302
  905   1HG2  VAL1030          1HG2      VAL1030   0.732   1.765 -10.125
  906   2HG2  VAL1030          2HG2      VAL1030   1.000   3.262  -9.230
  907   3HG2  VAL1030          3HG2      VAL1030   2.227   2.672 -10.352
  908    H    ASP1031           H        ASP1031   2.589   1.635  -5.405
  909    HA   ASP1031           HA       ASP1031   3.515  -0.995  -4.996
  910   1HB   ASP1031          HB1       ASP1031   4.450  -0.340  -2.902
  911   2HB   ASP1031          HB2       ASP1031   4.648   1.001  -4.008
  912    H    ALA1032           H        ALA1032   0.927   0.723  -3.212
  913    HA   ALA1032           HA       ALA1032  -0.234  -1.370  -1.889
  914   1HB   ALA1032          HB1       ALA1032  -2.353  -0.188  -2.099
  915   2HB   ALA1032          HB2       ALA1032  -1.030   0.933  -1.771
  916   3HB   ALA1032          HB3       ALA1032  -1.685   0.794  -3.403
  917    H    LYS1033           H        LYS1033  -0.430  -0.705  -5.339
  918    HA   LYS1033           HA       LYS1033  -2.636  -2.551  -5.709
  919   1HB   LYS1033          HB1       LYS1033  -2.445  -0.531  -7.128
  920   2HB   LYS1033          HB2       LYS1033  -0.960  -1.177  -7.817
  921   1HG   LYS1033          HG1       LYS1033  -2.187  -3.073  -8.725
  922   2HG   LYS1033          HG2       LYS1033  -3.677  -2.465  -8.003
  923   1HD   LYS1033          HD1       LYS1033  -3.527  -0.453  -9.382
  924   2HD   LYS1033          HD2       LYS1033  -2.029  -1.053 -10.097
  925   1HE   LYS1033          HE1       LYS1033  -3.241  -3.004 -10.964
  926   2HE   LYS1033          HE2       LYS1033  -4.735  -2.374 -10.274
  927   1HZ   LYS1033          HZ1       LYS1033  -4.524  -0.431 -11.702
  928   2HZ   LYS1033          HZ2       LYS1033  -3.100  -1.057 -12.376
  929   3HZ   LYS1033          HZ3       LYS1033  -4.577  -1.858 -12.615
  930    H    ASN1034           H        ASN1034   0.819  -2.502  -6.159
  931    HA   ASN1034           HA       ASN1034   0.902  -5.004  -7.540
  932   1HB   ASN1034          HB1       ASN1034   2.664  -3.190  -7.692
  933   2HB   ASN1034          HB2       ASN1034   3.186  -3.673  -6.080
  934   1HD2  ASN1034          2HD2      ASN1034   5.207  -4.277  -6.852
  935   2HD2  ASN1034          1HD2      ASN1034   5.455  -5.715  -7.780
  936    H    LEU1035           H        LEU1035   1.509  -3.946  -4.210
  937    HA   LEU1035           HA       LEU1035   2.229  -6.547  -3.283
  938   1HB   LEU1035          HB1       LEU1035   2.913  -4.464  -2.150
  939   2HB   LEU1035          HB2       LEU1035   1.245  -4.166  -1.695
  940    HG   LEU1035           HG       LEU1035   2.818  -5.060   0.089
  941   1HD1  LEU1035          1HD1      LEU1035   0.399  -5.050   0.356
  942   2HD1  LEU1035          2HD1      LEU1035   0.308  -6.628  -0.426
  943   3HD1  LEU1035          3HD1      LEU1035   1.142  -6.457   1.119
  944   1HD2  LEU1035          1HD2      LEU1035   3.963  -6.738  -1.222
  945   2HD2  LEU1035          2HD2      LEU1035   3.143  -7.485   0.150
  946   3HD2  LEU1035          3HD2      LEU1035   2.450  -7.610  -1.467
  947    H    LEU1036           H        LEU1036  -0.897  -4.884  -3.492
  948    HA   LEU1036           HA       LEU1036  -2.318  -6.818  -2.022
  949   1HB   LEU1036          HB1       LEU1036  -4.347  -5.963  -2.973
  950   2HB   LEU1036          HB2       LEU1036  -3.308  -4.624  -2.557
  951    HG   LEU1036           HG       LEU1036  -2.682  -4.645  -5.087
  952   1HD1  LEU1036          1HD1      LEU1036  -5.344  -6.061  -5.146
  953   2HD1  LEU1036          2HD1      LEU1036  -4.505  -5.373  -6.537
  954   3HD1  LEU1036          3HD1      LEU1036  -3.799  -6.735  -5.666
  955   1HD2  LEU1036          1HD2      LEU1036  -5.375  -3.732  -4.092
  956   2HD2  LEU1036          2HD2      LEU1036  -3.857  -2.845  -3.959
  957   3HD2  LEU1036          3HD2      LEU1036  -4.563  -3.151  -5.546
  958    H    ASP1037           H        ASP1037  -1.120  -6.684  -5.262
  959    HA   ASP1037           HA       ASP1037  -2.556  -9.051  -6.127
  960   1HB   ASP1037          HB1       ASP1037  -1.957  -7.134  -7.649
  961   2HB   ASP1037          HB2       ASP1037  -0.268  -7.585  -7.468
  962    H    VAL1038           H        VAL1038   0.674  -8.099  -5.188
  963    HA   VAL1038           HA       VAL1038   2.138 -10.433  -5.362
  964    HB   VAL1038           HB       VAL1038   2.159  -8.128  -3.437
  965   1HG1  VAL1038          1HG1      VAL1038   2.866 -10.055  -2.115
  966   2HG1  VAL1038          2HG1      VAL1038   4.057 -10.468  -3.348
  967   3HG1  VAL1038          3HG1      VAL1038   4.217  -8.968  -2.434
  968   1HG2  VAL1038          1HG2      VAL1038   4.306  -7.670  -4.531
  969   2HG2  VAL1038          2HG2      VAL1038   4.103  -9.117  -5.519
  970   3HG2  VAL1038          3HG2      VAL1038   2.984  -7.767  -5.695
  971    H    ILE1039           H        ILE1039   0.182  -9.376  -2.568
  972    HA   ILE1039           HA       ILE1039   0.490 -12.016  -1.431
  973    HB   ILE1039           HB       ILE1039  -0.588 -11.186   0.566
  974   1HG1  ILE1039          1HG1      ILE1039  -0.757  -8.561  -0.927
  975   2HG1  ILE1039          2HG1      ILE1039  -2.116  -9.550  -0.392
  976   1HG2  ILE1039          1HG2      ILE1039   1.638  -9.443  -0.482
  977   2HG2  ILE1039          2HG2      ILE1039   1.177  -9.592   1.215
  978   3HG2  ILE1039          3HG2      ILE1039   1.809 -10.991   0.345
  979   1HD1  ILE1039          1HD1      ILE1039  -1.434  -9.209   1.927
  980   2HD1  ILE1039          2HD1      ILE1039  -0.105  -8.188   1.374
  981   3HD1  ILE1039          3HD1      ILE1039  -1.775  -7.691   1.103
  982    H    ASP1040           H        ASP1040  -2.175 -10.070  -2.828
  983    HA   ASP1040           HA       ASP1040  -4.172 -11.871  -2.908
  984   1HB   ASP1040          HB1       ASP1040  -4.116  -9.969  -4.493
  985   2HB   ASP1040          HB2       ASP1040  -2.861 -10.772  -5.425
  986    H    GLN1041           H        GLN1041  -1.203 -12.141  -4.711
  987    HA   GLN1041           HA       GLN1041  -1.689 -14.878  -5.434
  988   1HB   GLN1041          HB1       GLN1041   0.714 -13.109  -5.758
  989   2HB   GLN1041          HB2       GLN1041   0.700 -14.806  -6.227
  990   1HG   GLN1041          HG1       GLN1041  -1.088 -14.399  -7.798
  991   2HG   GLN1041          HG2       GLN1041  -1.199 -12.717  -7.285
  992   1HE2  GLN1041          2HE2      GLN1041   1.836 -14.368  -7.634
  993   2HE2  GLN1041          1HE2      GLN1041   2.377 -13.497  -9.026
  994    H    ALA1042           H        ALA1042   0.045 -13.227  -2.837
  995    HA   ALA1042           HA       ALA1042   1.588 -15.285  -1.863
  996   1HB   ALA1042          HB1       ALA1042   1.572 -13.044  -0.901
  997   2HB   ALA1042          HB2       ALA1042  -0.026 -13.353  -0.222
  998   3HB   ALA1042          HB3       ALA1042   1.364 -14.286   0.332
  999    H    ARG1043           H        ARG1043  -1.770 -14.569  -0.816
 1000    HA   ARG1043           HA       ARG1043  -2.138 -16.914   0.620
 1001   1HB   ARG1043          HB1       ARG1043  -3.717 -14.733  -0.226
 1002   2HB   ARG1043          HB2       ARG1043  -4.575 -16.189  -0.713
 1003   1HG   ARG1043          HG1       ARG1043  -5.266 -15.410   1.497
 1004   2HG   ARG1043          HG2       ARG1043  -4.540 -17.015   1.563
 1005   1HD   ARG1043          HD1       ARG1043  -2.546 -16.178   2.514
 1006   2HD   ARG1043          HD2       ARG1043  -2.962 -14.512   2.111
 1007    HE   ARG1043           HE       ARG1043  -4.845 -14.831   3.779
 1008   1HH1  ARG1043          2HH1      ARG1043  -1.791 -16.526   4.074
 1009   2HH1  ARG1043          1HH1      ARG1043  -1.921 -16.722   5.795
 1010   1HH2  ARG1043          2HH2      ARG1043  -5.020 -15.054   6.008
 1011   2HH2  ARG1043          1HH2      ARG1043  -3.772 -15.883   6.901
 1012    H    LEU1044           H        LEU1044  -2.379 -16.321  -2.843
 1013    HA   LEU1044           HA       LEU1044  -3.301 -18.981  -3.421
 1014   1HB   LEU1044          HB1       LEU1044  -2.179 -16.812  -5.180
 1015   2HB   LEU1044          HB2       LEU1044  -2.756 -18.349  -5.782
 1016    HG   LEU1044           HG       LEU1044  -4.423 -16.288  -4.336
 1017   1HD1  LEU1044          1HD1      LEU1044  -3.781 -15.608  -6.594
 1018   2HD1  LEU1044          2HD1      LEU1044  -4.411 -17.127  -7.231
 1019   3HD1  LEU1044          3HD1      LEU1044  -5.505 -15.960  -6.487
 1020   1HD2  LEU1044          1HD2      LEU1044  -5.222 -18.905  -5.610
 1021   2HD2  LEU1044          2HD2      LEU1044  -5.184 -18.565  -3.880
 1022   3HD2  LEU1044          3HD2      LEU1044  -6.321 -17.710  -4.923
 1023    H    LYS1045           H        LYS1045  -0.245 -17.628  -2.682
 1024    HA   LYS1045           HA       LYS1045   1.376 -19.600  -3.977
 1025   1HB   LYS1045          HB1       LYS1045   1.953 -17.912  -1.524
 1026   2HB   LYS1045          HB2       LYS1045   3.132 -18.917  -2.346
 1027   1HG   LYS1045          HG1       LYS1045   1.747 -16.500  -3.454
 1028   2HG   LYS1045          HG2       LYS1045   3.437 -16.639  -2.964
 1029   1HD   LYS1045          HD1       LYS1045   3.946 -18.087  -4.760
 1030   2HD   LYS1045          HD2       LYS1045   2.243 -18.391  -5.098
 1031   1HE   LYS1045          HE1       LYS1045   3.149 -16.925  -6.785
 1032   2HE   LYS1045          HE2       LYS1045   1.990 -16.041  -5.796
 1033   1HZ   LYS1045          HZ1       LYS1045   4.939 -15.919  -5.528
 1034   2HZ   LYS1045          HZ2       LYS1045   3.968 -14.721  -6.229
 1035   3HZ   LYS1045          HZ3       LYS1045   3.832 -15.072  -4.577
 1036    H    MET1046           H        MET1046  -0.216 -19.224  -0.909
 1037    HA   MET1046           HA       MET1046   0.686 -21.666   0.237
 1038   1HB   MET1046          HB1       MET1046  -0.396 -19.870   1.558
 1039   2HB   MET1046          HB2       MET1046  -1.909 -20.200   0.727
 1040   1HG   MET1046          HG1       MET1046  -1.949 -22.448   1.651
 1041   2HG   MET1046          HG2       MET1046  -0.407 -22.146   2.452
 1042   1HE   MET1046          HE1       MET1046  -0.564 -19.313   3.650
 1043   2HE   MET1046          HE2       MET1046  -1.315 -19.594   5.221
 1044   3HE   MET1046          HE3       MET1046  -0.102 -20.720   4.610
 1045    H    ILE1047           H        ILE1047  -2.095 -20.752  -1.720
 1046    HA   ILE1047           HA       ILE1047  -3.279 -23.272  -2.028
 1047    HB   ILE1047           HB       ILE1047  -3.168 -20.959  -3.970
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.215 -20.392  -1.834
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.423 -20.457  -3.111
 1050   1HG2  ILE1047          1HG2      ILE1047  -3.708 -22.998  -5.162
 1051   2HG2  ILE1047          2HG2      ILE1047  -4.963 -23.382  -3.983
 1052   3HG2  ILE1047          3HG2      ILE1047  -5.138 -21.975  -5.031
 1053   1HD1  ILE1047          1HD1      ILE1047  -6.112 -22.670  -2.348
 1054   2HD1  ILE1047          2HD1      ILE1047  -4.902 -22.603  -1.066
 1055   3HD1  ILE1047          3HD1      ILE1047  -6.250 -21.465  -1.067
 1056    H    SER1048           H        SER1048  -0.564 -21.726  -3.597
 1057    HA   SER1048           HA       SER1048  -0.191 -23.609  -5.683
 1058   1HB   SER1048          HB1       SER1048   0.702 -21.266  -5.680
 1059   2HB   SER1048          HB2       SER1048   1.865 -21.748  -4.442
 1060    HG   SER1048           HG       SER1048   2.882 -23.040  -5.892
 1061    H    GLN1049           H        GLN1049   0.960 -23.382  -2.378
 1062    HA   GLN1049           HA       GLN1049   2.910 -25.462  -2.697
 1063   1HB   GLN1049          HB1       GLN1049   3.131 -23.615  -1.037
 1064   2HB   GLN1049          HB2       GLN1049   1.787 -24.304  -0.141
 1065   1HG   GLN1049          HG1       GLN1049   3.965 -24.892   0.818
 1066   2HG   GLN1049          HG2       GLN1049   3.049 -26.309   0.303
 1067   1HE2  GLN1049          2HE2      GLN1049   3.767 -27.507  -1.451
 1068   2HE2  GLN1049          1HE2      GLN1049   5.357 -27.330  -2.104
 1069    H    SER1050           H        SER1050  -0.420 -25.250  -1.601
 1070    HA   SER1050           HA       SER1050  -0.504 -28.018  -0.799
 1071   1HB   SER1050          HB1       SER1050  -2.753 -26.044  -1.267
 1072   2HB   SER1050          HB2       SER1050  -2.914 -27.623  -0.496
 1073    HG   SER1050           HG       SER1050  -1.113 -26.650   0.927
 1074    H    ARG1051           H        ARG1051  -1.300 -26.100  -3.598
 1075    HA   ARG1051           HA       ARG1051  -1.575 -26.608  -5.779
 1076   1HB   ARG1051          HB1       ARG1051  -1.044 -29.469  -4.963
 1077   2HB   ARG1051          HB2       ARG1051  -1.149 -28.887  -6.619
 1078   1HG   ARG1051          HG1       ARG1051   0.785 -27.452  -6.248
 1079   2HG   ARG1051          HG2       ARG1051   0.889 -28.017  -4.580
 1080   1HD   ARG1051          HD1       ARG1051   2.492 -29.213  -5.906
 1081   2HD   ARG1051          HD2       ARG1051   1.203 -30.319  -5.435
 1082    HE   ARG1051           HE       ARG1051   1.044 -29.040  -8.064
 1083   1HH1  ARG1051          2HH1      ARG1051   1.728 -31.904  -6.168
 1084   2HH1  ARG1051          1HH1      ARG1051   1.545 -32.996  -7.513
 1085   1HH2  ARG1051          2HH2      ARG1051   0.822 -30.450  -9.829
 1086   2HH2  ARG1051          1HH2      ARG1051   1.046 -32.161  -9.612
 1087    HA   PRO1052           HA       PRO1052  -5.947 -27.160  -5.842
 1088   1HB   PRO1052          HB1       PRO1052  -5.536 -27.525  -8.760
 1089   2HB   PRO1052          HB2       PRO1052  -6.556 -26.365  -7.903
 1090   1HG   PRO1052          HG1       PRO1052  -4.284 -25.589  -9.061
 1091   2HG   PRO1052          HG2       PRO1052  -4.800 -24.908  -7.506
 1092   1HD   PRO1052          HD1       PRO1052  -2.717 -26.980  -8.072
 1093   2HD   PRO1052          HD2       PRO1052  -2.700 -25.652  -6.892
 1094    H    HIS1053           H        HIS1053  -7.434 -28.790  -6.012
 1095    HA   HIS1053           HA       HIS1053  -6.360 -31.457  -6.153
 1096   1HB   HIS1053          HB1       HIS1053  -8.019 -30.780  -4.432
 1097   2HB   HIS1053          HB2       HIS1053  -9.210 -30.533  -5.702
 1098    HD1  HIS1053           HD1      HIS1053 -10.850 -32.378  -5.523
 1099    HD2  HIS1053           HD2      HIS1053  -6.943 -33.709  -4.973
 1100    HE1  HIS1053           HE1      HIS1053 -11.009 -34.874  -5.244
 1101    HE2  HIS1053           HE2      HIS1053  -8.652 -35.640  -4.785
  Start of MODEL   12
    1   1H    ARG 920           H        ARG 920  -7.527 -19.820  -3.158
    2    HA   ARG 920           HA       ARG 920  -8.364 -20.211  -0.531
    3   1HB   ARG 920          HB1       ARG 920  -6.042 -19.844  -1.297
    4   2HB   ARG 920          HB2       ARG 920  -6.429 -18.156  -1.590
    5   1HG   ARG 920          HG1       ARG 920  -5.310 -18.191   0.454
    6   2HG   ARG 920          HG2       ARG 920  -7.014 -18.004   0.857
    7   1HD   ARG 920          HD1       ARG 920  -5.513 -20.623   0.888
    8   2HD   ARG 920          HD2       ARG 920  -5.780 -19.618   2.307
    9    HE   ARG 920           HE       ARG 920  -7.844 -21.101   0.807
   10   1HH1  ARG 920          2HH1      ARG 920  -6.880 -19.311   3.678
   11   2HH1  ARG 920          1HH1      ARG 920  -8.270 -19.804   4.596
   12   1HH2  ARG 920          2HH2      ARG 920  -9.634 -21.759   2.025
   13   2HH2  ARG 920          1HH2      ARG 920  -9.821 -21.218   3.664
   14    H    SER 921           H        SER 921  -9.402 -17.814  -2.721
   15    HA   SER 921           HA       SER 921 -10.990 -16.213  -2.553
   16   1HB   SER 921          HB1       SER 921 -12.133 -17.670  -0.948
   17   2HB   SER 921          HB2       SER 921 -11.163 -17.003   0.363
   18    HG   SER 921           HG       SER 921 -12.143 -14.899  -0.624
   19    H    ASN 922           H        ASN 922  -8.066 -16.132  -1.157
   20    HA   ASN 922           HA       ASN 922  -6.620 -14.517  -0.490
   21   1HB   ASN 922          HB1       ASN 922  -8.185 -12.370  -1.784
   22   2HB   ASN 922          HB2       ASN 922  -6.475 -12.759  -1.924
   23   1HD2  ASN 922          2HD2      ASN 922  -5.872 -14.601  -3.195
   24   2HD2  ASN 922          1HD2      ASN 922  -6.851 -15.087  -4.532
   25    H    ASP 923           H        ASP 923  -7.570 -15.005   1.493
   26    HA   ASP 923           HA       ASP 923  -9.331 -13.741   3.080
   27   1HB   ASP 923          HB1       ASP 923  -7.832 -15.718   3.532
   28   2HB   ASP 923          HB2       ASP 923  -6.543 -14.579   3.892
   29    H    LYS 924           H        LYS 924  -8.302 -12.532   5.180
   30    HA   LYS 924           HA       LYS 924  -8.250  -9.879   4.910
   31   1HB   LYS 924          HB1       LYS 924  -7.865 -11.480   6.978
   32   2HB   LYS 924          HB2       LYS 924  -6.197 -10.971   6.769
   33   1HG   LYS 924          HG1       LYS 924  -8.315  -8.887   6.879
   34   2HG   LYS 924          HG2       LYS 924  -7.836  -9.691   8.371
   35   1HD   LYS 924          HD1       LYS 924  -5.509  -9.043   7.967
   36   2HD   LYS 924          HD2       LYS 924  -5.995  -8.230   6.478
   37   1HE   LYS 924          HE1       LYS 924  -5.718  -6.670   8.362
   38   2HE   LYS 924          HE2       LYS 924  -7.362  -6.679   7.723
   39   1HZ   LYS 924          HZ1       LYS 924  -7.219  -6.679  10.185
   40   2HZ   LYS 924          HZ2       LYS 924  -8.094  -7.990   9.557
   41   3HZ   LYS 924          HZ3       LYS 924  -6.510  -8.221  10.120
   42    H    VAL 925           H        VAL 925  -5.618 -11.884   3.893
   43    HA   VAL 925           HA       VAL 925  -3.551 -10.089   3.605
   44    HB   VAL 925           HB       VAL 925  -3.095 -11.570   1.465
   45   1HG1  VAL 925          1HG1      VAL 925  -3.127 -12.680   4.283
   46   2HG1  VAL 925          2HG1      VAL 925  -2.204 -13.351   2.939
   47   3HG1  VAL 925          3HG1      VAL 925  -1.831 -11.738   3.549
   48   1HG2  VAL 925          1HG2      VAL 925  -5.186 -13.199   2.894
   49   2HG2  VAL 925          2HG2      VAL 925  -5.370 -12.447   1.310
   50   3HG2  VAL 925          3HG2      VAL 925  -4.185 -13.730   1.545
   51    H    TYR 926           H        TYR 926  -6.109 -10.841   1.117
   52    HA   TYR 926           HA       TYR 926  -5.028  -8.723  -0.582
   53   1HB   TYR 926          HB1       TYR 926  -5.920 -10.568  -1.761
   54   2HB   TYR 926          HB2       TYR 926  -7.352 -10.655  -0.746
   55    HD1  TYR 926           HD1      TYR 926  -5.710  -8.302  -3.155
   56    HD2  TYR 926           HD2      TYR 926  -9.325  -9.913  -1.602
   57    HE1  TYR 926           HE1      TYR 926  -6.988  -7.035  -4.834
   58    HE2  TYR 926           HE2      TYR 926 -10.613  -8.648  -3.270
   59    HH   TYR 926           HH       TYR 926  -9.076  -6.961  -5.906
   60    H    GLU 927           H        GLU 927  -7.517  -9.263   1.730
   61    HA   GLU 927           HA       GLU 927  -9.250  -7.123   1.295
   62   1HB   GLU 927          HB1       GLU 927  -8.483  -8.671   3.763
   63   2HB   GLU 927          HB2       GLU 927  -9.749  -7.463   3.772
   64   1HG   GLU 927          HG1       GLU 927 -11.010  -8.732   2.141
   65   2HG   GLU 927          HG2       GLU 927  -9.704  -9.913   2.035
   66    H    ASN 928           H        ASN 928  -6.440  -7.355   3.465
   67    HA   ASN 928           HA       ASN 928  -6.787  -4.796   4.616
   68   1HB   ASN 928          HB1       ASN 928  -5.412  -6.784   5.482
   69   2HB   ASN 928          HB2       ASN 928  -4.142  -6.202   4.412
   70   1HD2  ASN 928          2HD2      ASN 928  -3.982  -6.430   7.208
   71   2HD2  ASN 928          1HD2      ASN 928  -3.740  -4.838   7.856
   72    H    VAL 929           H        VAL 929  -4.620  -5.947   2.016
   73    HA   VAL 929           HA       VAL 929  -3.389  -3.468   1.600
   74    HB   VAL 929           HB       VAL 929  -3.860  -5.423  -0.641
   75   1HG1  VAL 929          1HG1      VAL 929  -1.574  -3.572   0.036
   76   2HG1  VAL 929          2HG1      VAL 929  -1.683  -4.614  -1.383
   77   3HG1  VAL 929          3HG1      VAL 929  -2.813  -3.276  -1.185
   78   1HG2  VAL 929          1HG2      VAL 929  -1.835  -6.595   0.100
   79   2HG2  VAL 929          2HG2      VAL 929  -1.791  -5.594   1.550
   80   3HG2  VAL 929          3HG2      VAL 929  -3.131  -6.712   1.292
   81    H    THR 930           H        THR 930  -6.445  -4.718   0.385
   82    HA   THR 930           HA       THR 930  -7.062  -2.570  -1.345
   83    HB   THR 930           HB       THR 930  -8.983  -4.218   0.329
   84    HG1  THR 930           HG1      THR 930  -7.780  -5.590  -0.996
   85   1HG2  THR 930          1HG2      THR 930 -10.626  -3.650  -1.401
   86   2HG2  THR 930          2HG2      THR 930 -10.011  -2.199  -0.609
   87   3HG2  THR 930          3HG2      THR 930  -9.429  -2.643  -2.213
   88    H    GLY 931           H        GLY 931  -7.394  -3.068   2.102
   89   1HA   GLY 931          HA1       GLY 931  -8.625  -0.679   2.850
   90   2HA   GLY 931          HA2       GLY 931  -7.478  -1.564   3.844
   91    H    LEU 932           H        LEU 932  -5.318  -1.216   1.768
   92    HA   LEU 932           HA       LEU 932  -4.245   1.198   2.803
   93   1HB   LEU 932          HB1       LEU 932  -3.032  -0.899   1.829
   94   2HB   LEU 932          HB2       LEU 932  -3.223  -0.086   0.290
   95    HG   LEU 932           HG       LEU 932  -1.770   1.090   2.672
   96   1HD1  LEU 932          1HD1      LEU 932  -0.670  -0.215   0.191
   97   2HD1  LEU 932          2HD1      LEU 932   0.275   0.623   1.423
   98   3HD1  LEU 932          3HD1      LEU 932  -0.593  -0.855   1.833
   99   1HD2  LEU 932          1HD2      LEU 932  -1.891   1.989  -0.208
  100   2HD2  LEU 932          2HD2      LEU 932  -2.667   2.787   1.161
  101   3HD2  LEU 932          3HD2      LEU 932  -0.908   2.715   1.064
  102    H    VAL 933           H        VAL 933  -5.510   0.344  -0.448
  103    HA   VAL 933           HA       VAL 933  -5.262   2.967  -1.453
  104    HB   VAL 933           HB       VAL 933  -7.092   2.299  -3.102
  105   1HG1  VAL 933          1HG1      VAL 933  -4.553   0.686  -2.896
  106   2HG1  VAL 933          2HG1      VAL 933  -5.539   0.847  -4.349
  107   3HG1  VAL 933          3HG1      VAL 933  -4.741   2.262  -3.663
  108   1HG2  VAL 933          1HG2      VAL 933  -8.115   0.540  -1.767
  109   2HG2  VAL 933          2HG2      VAL 933  -7.541  -0.074  -3.316
  110   3HG2  VAL 933          3HG2      VAL 933  -6.622  -0.393  -1.846
  111    H    LYS 934           H        LYS 934  -7.795   1.430   0.402
  112    HA   LYS 934           HA       LYS 934  -9.687   3.504   0.273
  113   1HB   LYS 934          HB1       LYS 934  -9.206   1.173   2.030
  114   2HB   LYS 934          HB2       LYS 934 -10.136   2.482   2.742
  115   1HG   LYS 934          HG1       LYS 934 -11.669   0.919   1.818
  116   2HG   LYS 934          HG2       LYS 934 -11.679   2.352   0.794
  117   1HD   LYS 934          HD1       LYS 934  -9.917   0.049   0.097
  118   2HD   LYS 934          HD2       LYS 934 -11.638  -0.015  -0.281
  119   1HE   LYS 934          HE1       LYS 934  -9.746   2.167  -1.133
  120   2HE   LYS 934          HE2       LYS 934 -10.283   0.836  -2.157
  121   1HZ   LYS 934          HZ1       LYS 934 -11.936   3.026  -1.017
  122   2HZ   LYS 934          HZ2       LYS 934 -11.613   2.716  -2.656
  123   3HZ   LYS 934          HZ3       LYS 934 -12.596   1.655  -1.769
  124    H    ALA 935           H        ALA 935  -6.753   3.133   2.105
  125    HA   ALA 935           HA       ALA 935  -7.356   5.302   3.900
  126   1HB   ALA 935          HB1       ALA 935  -4.767   3.846   3.439
  127   2HB   ALA 935          HB2       ALA 935  -5.098   4.985   4.744
  128   3HB   ALA 935          HB3       ALA 935  -5.976   3.456   4.662
  129    H    VAL 936           H        VAL 936  -5.685   4.910   0.827
  130    HA   VAL 936           HA       VAL 936  -4.709   7.614   0.958
  131    HB   VAL 936           HB       VAL 936  -3.503   5.907  -0.371
  132   1HG1  VAL 936          1HG1      VAL 936  -5.805   6.186  -2.301
  133   2HG1  VAL 936          2HG1      VAL 936  -4.305   5.308  -2.599
  134   3HG1  VAL 936          3HG1      VAL 936  -5.419   4.752  -1.351
  135   1HG2  VAL 936          1HG2      VAL 936  -3.116   8.274  -0.763
  136   2HG2  VAL 936          2HG2      VAL 936  -2.981   7.360  -2.267
  137   3HG2  VAL 936          3HG2      VAL 936  -4.431   8.309  -1.938
  138    H    ILE 937           H        ILE 937  -7.644   6.106   0.301
  139    HA   ILE 937           HA       ILE 937  -8.875   8.274  -1.075
  140    HB   ILE 937           HB       ILE 937 -10.079   6.170   0.733
  141   1HG1  ILE 937          1HG1      ILE 937  -9.105   5.271  -1.320
  142   2HG1  ILE 937          2HG1      ILE 937 -10.861   5.164  -1.374
  143   1HG2  ILE 937          1HG2      ILE 937 -11.500   8.145   0.708
  144   2HG2  ILE 937          2HG2      ILE 937 -11.477   8.156  -1.055
  145   3HG2  ILE 937          3HG2      ILE 937 -12.250   6.826  -0.191
  146   1HD1  ILE 937          1HD1      ILE 937 -10.922   7.151  -2.808
  147   2HD1  ILE 937          2HD1      ILE 937  -9.161   7.223  -2.768
  148   3HD1  ILE 937          3HD1      ILE 937  -9.971   5.847  -3.519
  149    H    GLU 938           H        GLU 938  -8.369   7.399   2.311
  150    HA   GLU 938           HA       GLU 938  -9.476   9.620   3.568
  151   1HB   GLU 938          HB1       GLU 938  -6.882   8.242   4.331
  152   2HB   GLU 938          HB2       GLU 938  -7.890   9.226   5.387
  153   1HG   GLU 938          HG1       GLU 938  -9.732   7.579   5.073
  154   2HG   GLU 938          HG2       GLU 938  -8.603   6.562   4.182
  155    H    MET 939           H        MET 939  -6.259   9.172   2.183
  156    HA   MET 939           HA       MET 939  -5.228  11.724   2.662
  157   1HB   MET 939          HB1       MET 939  -3.727  10.030   1.955
  158   2HB   MET 939          HB2       MET 939  -4.677   9.670   0.523
  159   1HG   MET 939          HG1       MET 939  -3.414  12.358   0.838
  160   2HG   MET 939          HG2       MET 939  -2.447  10.979   0.319
  161   1HE   MET 939          HE1       MET 939  -2.818  13.660  -1.360
  162   2HE   MET 939          HE2       MET 939  -1.846  12.311  -1.950
  163   3HE   MET 939          HE3       MET 939  -3.076  13.031  -2.988
  164    H    SER 940           H        SER 940  -7.101  10.482  -0.069
  165    HA   SER 940           HA       SER 940  -6.964  12.796  -1.653
  166   1HB   SER 940          HB1       SER 940  -7.648  10.513  -2.431
  167   2HB   SER 940          HB2       SER 940  -9.193  10.757  -1.621
  168    HG   SER 940           HG       SER 940  -8.523  11.500  -4.056
  169    H    SER 941           H        SER 941  -9.190  11.850   0.930
  170    HA   SER 941           HA       SER 941 -11.050  13.964   0.270
  171   1HB   SER 941          HB1       SER 941 -11.976  13.243   2.619
  172   2HB   SER 941          HB2       SER 941 -12.171  12.163   1.239
  173    HG   SER 941           HG       SER 941 -10.531  10.896   1.983
  174    H    LYS 942           H        LYS 942  -8.572  13.241   2.585
  175    HA   LYS 942           HA       LYS 942  -8.587  15.434   4.233
  176   1HB   LYS 942          HB1       LYS 942  -6.720  13.375   3.395
  177   2HB   LYS 942          HB2       LYS 942  -5.903  14.889   3.755
  178   1HG   LYS 942          HG1       LYS 942  -7.867  13.642   5.642
  179   2HG   LYS 942          HG2       LYS 942  -6.143  13.252   5.657
  180   1HD   LYS 942          HD1       LYS 942  -5.549  15.491   6.108
  181   2HD   LYS 942          HD2       LYS 942  -7.191  16.056   5.788
  182   1HE   LYS 942          HE1       LYS 942  -6.723  16.013   8.185
  183   2HE   LYS 942          HE2       LYS 942  -7.991  14.865   7.764
  184   1HZ   LYS 942          HZ1       LYS 942  -5.162  14.043   8.040
  185   2HZ   LYS 942          HZ2       LYS 942  -6.216  14.086   9.359
  186   3HZ   LYS 942          HZ3       LYS 942  -6.545  13.067   8.047
  187    H    ILE 943           H        ILE 943  -6.923  15.113   1.086
  188    HA   ILE 943           HA       ILE 943  -5.794  17.711   1.263
  189    HB   ILE 943           HB       ILE 943  -4.734  15.955  -0.074
  190   1HG1  ILE 943          1HG1      ILE 943  -5.582  18.323  -1.758
  191   2HG1  ILE 943          2HG1      ILE 943  -4.268  18.324  -0.589
  192   1HG2  ILE 943          1HG2      ILE 943  -5.623  15.325  -2.266
  193   2HG2  ILE 943          2HG2      ILE 943  -6.701  14.853  -0.953
  194   3HG2  ILE 943          3HG2      ILE 943  -7.078  16.267  -1.938
  195   1HD1  ILE 943          1HD1      ILE 943  -3.076  16.669  -1.925
  196   2HD1  ILE 943          2HD1      ILE 943  -4.396  16.666  -3.096
  197   3HD1  ILE 943          3HD1      ILE 943  -3.434  18.124  -2.857
  198    H    GLN 944           H        GLN 944  -8.891  16.569   0.179
  199    HA   GLN 944           HA       GLN 944  -9.447  18.499  -1.765
  200   1HB   GLN 944          HB1       GLN 944 -11.366  17.060   0.066
  201   2HB   GLN 944          HB2       GLN 944 -11.855  18.034  -1.315
  202   1HG   GLN 944          HG1       GLN 944 -10.200  15.526  -1.368
  203   2HG   GLN 944          HG2       GLN 944 -11.871  15.705  -1.898
  204   1HE2  GLN 944          2HE2      GLN 944  -9.428  14.852  -3.301
  205   2HE2  GLN 944          1HE2      GLN 944  -9.292  15.882  -4.687
  206    HA   PRO 945           HA       PRO 945 -11.266  21.556   1.189
  207   1HB   PRO 945          HB1       PRO 945 -12.414  20.902   3.510
  208   2HB   PRO 945          HB2       PRO 945 -13.126  20.419   1.966
  209   1HG   PRO 945          HG1       PRO 945 -11.756  18.774   3.990
  210   2HG   PRO 945          HG2       PRO 945 -12.899  18.285   2.729
  211   1HD   PRO 945          HD1       PRO 945  -9.999  18.178   2.691
  212   2HD   PRO 945          HD2       PRO 945 -11.149  17.540   1.499
  213    H    ALA 946           H        ALA 946  -8.616  19.973   2.310
  214    HA   ALA 946           HA       ALA 946  -8.335  21.698   4.678
  215   1HB   ALA 946          HB1       ALA 946  -6.774  20.053   5.552
  216   2HB   ALA 946          HB2       ALA 946  -8.330  19.315   5.173
  217   3HB   ALA 946          HB3       ALA 946  -6.958  19.088   4.088
  218    HA   PRO 947           HA       PRO 947  -4.758  23.643   2.892
  219   1HB   PRO 947          HB1       PRO 947  -3.486  24.465   5.098
  220   2HB   PRO 947          HB2       PRO 947  -5.068  25.125   4.660
  221   1HG   PRO 947          HG1       PRO 947  -4.398  22.986   6.650
  222   2HG   PRO 947          HG2       PRO 947  -5.496  24.369   6.826
  223   1HD   PRO 947          HD1       PRO 947  -6.341  21.845   6.219
  224   2HD   PRO 947          HD2       PRO 947  -7.200  23.312   5.709
  225    HA   PRO 948           HA       PRO 948  -1.042  21.166   2.742
  226   1HB   PRO 948          HB1       PRO 948   0.455  23.421   3.996
  227   2HB   PRO 948          HB2       PRO 948   0.817  22.506   2.528
  228   1HG   PRO 948          HG1       PRO 948  -0.196  24.944   2.352
  229   2HG   PRO 948          HG2       PRO 948  -0.757  23.659   1.264
  230   1HD   PRO 948          HD1       PRO 948  -2.093  24.830   3.667
  231   2HD   PRO 948          HD2       PRO 948  -2.802  24.292   2.130
  232    H    GLU 949           H        GLU 949  -1.744  22.798   5.746
  233    HA   GLU 949           HA       GLU 949  -0.098  21.448   7.521
  234   1HB   GLU 949          HB1       GLU 949  -2.968  22.330   7.891
  235   2HB   GLU 949          HB2       GLU 949  -1.904  21.830   9.198
  236   1HG   GLU 949          HG1       GLU 949  -0.403  23.680   8.692
  237   2HG   GLU 949          HG2       GLU 949  -1.463  24.182   7.376
  238    H    GLU 950           H        GLU 950  -2.983  20.388   5.840
  239    HA   GLU 950           HA       GLU 950  -2.886  17.834   7.268
  240   1HB   GLU 950          HB1       GLU 950  -4.975  18.839   5.338
  241   2HB   GLU 950          HB2       GLU 950  -5.048  17.351   6.277
  242   1HG   GLU 950          HG1       GLU 950  -4.962  20.127   7.439
  243   2HG   GLU 950          HG2       GLU 950  -6.422  19.168   7.214
  244    H    TYR 951           H        TYR 951  -1.502  19.156   4.579
  245    HA   TYR 951           HA       TYR 951  -1.734  17.039   2.709
  246   1HB   TYR 951          HB1       TYR 951   0.453  19.068   3.170
  247   2HB   TYR 951          HB2       TYR 951   0.580  17.830   1.930
  248    HD1  TYR 951           HD1      TYR 951  -2.734  18.330   1.787
  249    HD2  TYR 951           HD2      TYR 951   0.848  20.507   1.085
  250    HE1  TYR 951           HE1      TYR 951  -3.931  19.782   0.207
  251    HE2  TYR 951           HE2      TYR 951  -0.333  21.970  -0.484
  252    HH   TYR 951           HH       TYR 951  -3.775  21.938  -0.791
  253    H    VAL 952           H        VAL 952   0.410  17.664   5.442
  254    HA   VAL 952           HA       VAL 952   1.749  15.173   5.040
  255    HB   VAL 952           HB       VAL 952   3.211  16.476   6.157
  256   1HG1  VAL 952          1HG1      VAL 952   1.814  18.385   6.550
  257   2HG1  VAL 952          2HG1      VAL 952   0.964  17.557   7.856
  258   3HG1  VAL 952          3HG1      VAL 952   2.664  17.988   8.043
  259   1HG2  VAL 952          1HG2      VAL 952   3.411  15.787   8.517
  260   2HG2  VAL 952          2HG2      VAL 952   1.789  15.099   8.436
  261   3HG2  VAL 952          3HG2      VAL 952   3.078  14.434   7.434
  262    HA   PRO 953           HA       PRO 953  -1.333  13.566   8.620
  263   1HB   PRO 953          HB1       PRO 953  -3.499  15.377   7.664
  264   2HB   PRO 953          HB2       PRO 953  -3.280  14.636   9.259
  265   1HG   PRO 953          HG1       PRO 953  -2.622  17.161   8.923
  266   2HG   PRO 953          HG2       PRO 953  -1.543  16.085   9.833
  267   1HD   PRO 953          HD1       PRO 953  -1.270  17.131   7.050
  268   2HD   PRO 953          HD2       PRO 953  -0.019  16.836   8.272
  269    H    MET 954           H        MET 954  -2.402  14.741   5.391
  270    HA   MET 954           HA       MET 954  -4.281  12.674   5.006
  271   1HB   MET 954          HB1       MET 954  -4.367  13.295   2.694
  272   2HB   MET 954          HB2       MET 954  -4.193  14.766   3.636
  273   1HG   MET 954          HG1       MET 954  -1.825  14.842   3.085
  274   2HG   MET 954          HG2       MET 954  -1.991  13.357   2.152
  275   1HE   MET 954          HE1       MET 954  -0.685  15.974   0.933
  276   2HE   MET 954          HE2       MET 954  -0.908  14.469   0.043
  277   3HE   MET 954          HE3       MET 954  -1.446  15.995  -0.658
  278    H    VAL 955           H        VAL 955  -0.926  12.971   3.854
  279    HA   VAL 955           HA       VAL 955  -0.788  10.302   2.989
  280    HB   VAL 955           HB       VAL 955   1.469  12.128   3.842
  281   1HG1  VAL 955          1HG1      VAL 955   2.925  10.607   2.601
  282   2HG1  VAL 955          2HG1      VAL 955   2.147   9.780   3.951
  283   3HG1  VAL 955          3HG1      VAL 955   1.561   9.530   2.306
  284   1HG2  VAL 955          1HG2      VAL 955   0.194  12.996   1.973
  285   2HG2  VAL 955          2HG2      VAL 955   1.755  12.404   1.403
  286   3HG2  VAL 955          3HG2      VAL 955   0.298  11.442   1.144
  287    H    LYS 956           H        LYS 956  -0.510  11.705   6.157
  288    HA   LYS 956           HA       LYS 956   0.743   9.554   7.484
  289   1HB   LYS 956          HB1       LYS 956   0.215  11.778   8.511
  290   2HB   LYS 956          HB2       LYS 956  -1.480  11.312   8.547
  291   1HG   LYS 956          HG1       LYS 956  -0.955   9.473  10.057
  292   2HG   LYS 956          HG2       LYS 956   0.753   9.917  10.010
  293   1HD   LYS 956          HD1       LYS 956   0.171  12.128  10.945
  294   2HD   LYS 956          HD2       LYS 956  -1.514  11.612  11.057
  295   1HE   LYS 956          HE1       LYS 956  -0.862   9.811  12.572
  296   2HE   LYS 956          HE2       LYS 956   0.823  10.315  12.452
  297   1HZ   LYS 956          HZ1       LYS 956   0.055  12.524  13.330
  298   2HZ   LYS 956          HZ2       LYS 956  -1.432  11.786  13.689
  299   3HZ   LYS 956          HZ3       LYS 956  -0.013  11.236  14.431
  300    H    GLU 957           H        GLU 957  -2.585  10.182   6.583
  301    HA   GLU 957           HA       GLU 957  -3.869   7.944   7.554
  302   1HB   GLU 957          HB1       GLU 957  -4.389   9.166   4.829
  303   2HB   GLU 957          HB2       GLU 957  -5.529   8.260   5.814
  304   1HG   GLU 957          HG1       GLU 957  -4.323  10.898   6.612
  305   2HG   GLU 957          HG2       GLU 957  -5.881  10.716   5.813
  306    H    VAL 958           H        VAL 958  -2.147   8.225   4.398
  307    HA   VAL 958           HA       VAL 958  -2.512   5.451   3.803
  308    HB   VAL 958           HB       VAL 958  -1.246   5.742   1.865
  309   1HG1  VAL 958          1HG1      VAL 958  -2.064   7.795   0.869
  310   2HG1  VAL 958          2HG1      VAL 958  -3.300   7.047   1.880
  311   3HG1  VAL 958          3HG1      VAL 958  -2.411   8.450   2.471
  312   1HG2  VAL 958          1HG2      VAL 958   0.045   8.155   3.129
  313   2HG2  VAL 958          2HG2      VAL 958   0.805   6.593   2.826
  314   3HG2  VAL 958          3HG2      VAL 958   0.304   7.608   1.472
  315    H    GLY 959           H        GLY 959  -0.166   7.179   5.689
  316   1HA   GLY 959          HA1       GLY 959   1.908   5.228   5.567
  317   2HA   GLY 959          HA2       GLY 959   1.709   6.446   6.822
  318    H    LEU 960           H        LEU 960  -0.655   5.833   7.951
  319    HA   LEU 960           HA       LEU 960  -0.277   3.477   9.417
  320   1HB   LEU 960          HB1       LEU 960  -2.613   5.291   9.001
  321   2HB   LEU 960          HB2       LEU 960  -2.854   3.766   9.831
  322    HG   LEU 960           HG       LEU 960  -2.550   5.526  11.449
  323   1HD1  LEU 960          1HD1      LEU 960  -0.666   4.627  12.716
  324   2HD1  LEU 960          2HD1      LEU 960  -1.655   3.345  12.018
  325   3HD1  LEU 960          3HD1      LEU 960  -0.109   3.769  11.281
  326   1HD2  LEU 960          1HD2      LEU 960  -1.299   7.100  10.058
  327   2HD2  LEU 960          2HD2      LEU 960  -0.497   6.824  11.604
  328   3HD2  LEU 960          3HD2      LEU 960   0.116   6.052  10.140
  329    H    ALA 961           H        ALA 961  -1.829   4.049   6.383
  330    HA   ALA 961           HA       ALA 961  -3.336   1.714   6.109
  331   1HB   ALA 961          HB1       ALA 961  -1.829   3.156   3.938
  332   2HB   ALA 961          HB2       ALA 961  -3.169   2.031   3.711
  333   3HB   ALA 961          HB3       ALA 961  -3.440   3.573   4.524
  334    H    LEU 962           H        LEU 962   0.000   2.274   4.875
  335    HA   LEU 962           HA       LEU 962   0.453  -0.419   4.252
  336   1HB   LEU 962          HB1       LEU 962   1.811   1.219   3.248
  337   2HB   LEU 962          HB2       LEU 962   2.290   1.891   4.794
  338    HG   LEU 962           HG       LEU 962   3.087  -0.917   4.134
  339   1HD1  LEU 962          1HD1      LEU 962   3.636   0.364   2.128
  340   2HD1  LEU 962          2HD1      LEU 962   4.475   1.561   3.117
  341   3HD1  LEU 962          3HD1      LEU 962   5.092  -0.088   3.014
  342   1HD2  LEU 962          1HD2      LEU 962   3.559   0.024   6.358
  343   2HD2  LEU 962          2HD2      LEU 962   5.039  -0.331   5.467
  344   3HD2  LEU 962          3HD2      LEU 962   4.469   1.333   5.602
  345    H    ARG 963           H        ARG 963   1.065   1.392   7.260
  346    HA   ARG 963           HA       ARG 963   2.368  -0.633   8.646
  347   1HB   ARG 963          HB1       ARG 963   2.101   1.685   9.469
  348   2HB   ARG 963          HB2       ARG 963   0.406   1.349   9.806
  349   1HG   ARG 963          HG1       ARG 963   1.026  -0.331  11.429
  350   2HG   ARG 963          HG2       ARG 963   2.733  -0.100  11.047
  351   1HD   ARG 963          HD1       ARG 963   2.564   2.234  11.809
  352   2HD   ARG 963          HD2       ARG 963   0.877   1.953  12.244
  353    HE   ARG 963           HE       ARG 963   2.011   0.064  13.676
  354   1HH1  ARG 963          2HH1      ARG 963   3.088   3.352  13.175
  355   2HH1  ARG 963          1HH1      ARG 963   3.872   3.478  14.719
  356   1HH2  ARG 963          2HH2      ARG 963   3.055   0.201  15.711
  357   2HH2  ARG 963          1HH2      ARG 963   3.876   1.674  16.152
  358    H    THR 964           H        THR 964  -1.147   0.040   8.744
  359    HA   THR 964           HA       THR 964  -1.937  -2.256  10.095
  360    HB   THR 964           HB       THR 964  -3.458  -0.950   7.824
  361    HG1  THR 964           HG1      THR 964  -4.000   0.603   9.200
  362   1HG2  THR 964          1HG2      THR 964  -4.418  -2.549  10.202
  363   2HG2  THR 964          2HG2      THR 964  -5.449  -1.757   9.010
  364   3HG2  THR 964          3HG2      THR 964  -4.406  -3.093   8.524
  365    H    LEU 965           H        LEU 965  -1.318  -1.744   6.690
  366    HA   LEU 965           HA       LEU 965  -1.982  -4.276   5.695
  367   1HB   LEU 965          HB1       LEU 965  -1.709  -2.527   4.161
  368   2HB   LEU 965          HB2       LEU 965  -0.150  -2.078   4.815
  369    HG   LEU 965           HG       LEU 965  -0.341  -4.753   3.546
  370   1HD1  LEU 965          1HD1      LEU 965  -1.641  -3.320   2.041
  371   2HD1  LEU 965          2HD1      LEU 965  -0.306  -2.170   1.991
  372   3HD1  LEU 965          3HD1      LEU 965  -0.100  -3.790   1.325
  373   1HD2  LEU 965          1HD2      LEU 965   1.681  -2.506   3.474
  374   2HD2  LEU 965          2HD2      LEU 965   1.760  -3.938   4.501
  375   3HD2  LEU 965          3HD2      LEU 965   1.889  -4.102   2.750
  376    H    LEU 966           H        LEU 966   0.776  -3.116   7.406
  377    HA   LEU 966           HA       LEU 966   2.616  -5.174   6.701
  378   1HB   LEU 966          HB1       LEU 966   3.332  -3.003   7.607
  379   2HB   LEU 966          HB2       LEU 966   2.573  -3.391   9.138
  380    HG   LEU 966           HG       LEU 966   4.163  -5.275   9.416
  381   1HD1  LEU 966          1HD1      LEU 966   4.640  -5.700   7.070
  382   2HD1  LEU 966          2HD1      LEU 966   5.443  -4.135   6.940
  383   3HD1  LEU 966          3HD1      LEU 966   6.126  -5.392   7.972
  384   1HD2  LEU 966          1HD2      LEU 966   6.123  -3.881   9.898
  385   2HD2  LEU 966          2HD2      LEU 966   5.404  -2.565   8.971
  386   3HD2  LEU 966          3HD2      LEU 966   4.626  -3.130  10.450
  387    H    ALA 967           H        ALA 967   0.155  -4.851   9.179
  388    HA   ALA 967           HA       ALA 967   0.801  -7.168  10.664
  389   1HB   ALA 967          HB1       ALA 967  -0.796  -5.532  11.493
  390   2HB   ALA 967          HB2       ALA 967  -1.900  -5.913  10.172
  391   3HB   ALA 967          HB3       ALA 967  -1.544  -7.127  11.401
  392    H    THR 968           H        THR 968  -1.108  -6.624   7.767
  393    HA   THR 968           HA       THR 968  -1.826  -9.367   7.388
  394    HB   THR 968           HB       THR 968  -1.939  -6.906   5.719
  395    HG1  THR 968           HG1      THR 968  -4.082  -8.540   5.715
  396   1HG2  THR 968          1HG2      THR 968  -2.820  -8.197   3.809
  397   2HG2  THR 968          2HG2      THR 968  -1.115  -8.529   4.107
  398   3HG2  THR 968          3HG2      THR 968  -2.340  -9.691   4.614
  399    H    VAL 969           H        VAL 969   0.836  -7.358   6.287
  400    HA   VAL 969           HA       VAL 969   2.176  -9.159   4.674
  401    HB   VAL 969           HB       VAL 969   3.375  -7.189   6.633
  402   1HG1  VAL 969          1HG1      VAL 969   4.716  -8.619   4.337
  403   2HG1  VAL 969          2HG1      VAL 969   5.438  -7.367   5.349
  404   3HG1  VAL 969          3HG1      VAL 969   5.007  -8.926   6.050
  405   1HG2  VAL 969          1HG2      VAL 969   2.872  -7.027   3.662
  406   2HG2  VAL 969          2HG2      VAL 969   1.972  -6.176   4.917
  407   3HG2  VAL 969          3HG2      VAL 969   3.671  -5.794   4.639
  408    H    ASP 970           H        ASP 970   1.857  -9.171   8.178
  409    HA   ASP 970           HA       ASP 970   3.768 -11.293   8.544
  410   1HB   ASP 970          HB1       ASP 970   3.339  -9.703  10.368
  411   2HB   ASP 970          HB2       ASP 970   1.663 -10.235  10.439
  412    H    GLU 971           H        GLU 971   0.362 -11.111   7.975
  413    HA   GLU 971           HA       GLU 971  -0.234 -13.857   8.417
  414   1HB   GLU 971          HB1       GLU 971  -1.435 -12.026   6.320
  415   2HB   GLU 971          HB2       GLU 971  -2.160 -13.489   6.966
  416   1HG   GLU 971          HG1       GLU 971  -1.555 -11.025   8.575
  417   2HG   GLU 971          HG2       GLU 971  -3.140 -11.412   7.875
  418    H    SER 972           H        SER 972   0.547 -12.039   5.519
  419    HA   SER 972           HA       SER 972   0.906 -14.229   3.817
  420   1HB   SER 972          HB1       SER 972   0.493 -11.977   2.988
  421   2HB   SER 972          HB2       SER 972   2.038 -11.427   3.649
  422    HG   SER 972           HG       SER 972   2.852 -13.295   2.231
  423    H    LEU 973           H        LEU 973   2.977 -12.823   6.230
  424    HA   LEU 973           HA       LEU 973   5.485 -13.406   5.157
  425   1HB   LEU 973          HB1       LEU 973   4.849 -12.008   7.222
  426   2HB   LEU 973          HB2       LEU 973   4.928 -13.512   8.113
  427    HG   LEU 973           HG       LEU 973   7.257 -12.453   6.511
  428   1HD1  LEU 973          1HD1      LEU 973   8.144 -11.560   8.596
  429   2HD1  LEU 973          2HD1      LEU 973   6.620 -10.784   8.170
  430   3HD1  LEU 973          3HD1      LEU 973   6.656 -12.014   9.433
  431   1HD2  LEU 973          1HD2      LEU 973   7.097 -14.419   8.796
  432   2HD2  LEU 973          2HD2      LEU 973   7.361 -14.824   7.100
  433   3HD2  LEU 973          3HD2      LEU 973   8.571 -13.891   7.982
  434    HA   PRO 974           HA       PRO 974   5.378 -17.829   7.292
  435   1HB   PRO 974          HB1       PRO 974   2.416 -18.143   7.281
  436   2HB   PRO 974          HB2       PRO 974   3.611 -18.815   8.398
  437   1HG   PRO 974          HG1       PRO 974   2.077 -16.769   9.123
  438   2HG   PRO 974          HG2       PRO 974   3.781 -16.851   9.609
  439   1HD   PRO 974          HD1       PRO 974   2.491 -15.185   7.496
  440   2HD   PRO 974          HD2       PRO 974   3.834 -14.789   8.584
  441    H    VAL 975           H        VAL 975   2.921 -16.463   5.155
  442    HA   VAL 975           HA       VAL 975   3.053 -18.718   3.330
  443    HB   VAL 975           HB       VAL 975   2.007 -16.027   2.535
  444   1HG1  VAL 975          1HG1      VAL 975   2.144 -17.789   0.854
  445   2HG1  VAL 975          2HG1      VAL 975   1.208 -18.863   1.894
  446   3HG1  VAL 975          3HG1      VAL 975   0.464 -17.407   1.231
  447   1HG2  VAL 975          1HG2      VAL 975  -0.158 -16.633   3.498
  448   2HG2  VAL 975          2HG2      VAL 975   0.555 -18.086   4.198
  449   3HG2  VAL 975          3HG2      VAL 975   1.074 -16.495   4.752
  450    H    LEU 976           H        LEU 976   5.070 -15.983   3.842
  451    HA   LEU 976           HA       LEU 976   6.164 -15.673   1.272
  452   1HB   LEU 976          HB1       LEU 976   7.236 -15.111   4.006
  453   2HB   LEU 976          HB2       LEU 976   8.345 -15.111   2.650
  454    HG   LEU 976           HG       LEU 976   7.333 -13.249   1.655
  455   1HD1  LEU 976          1HD1      LEU 976   4.994 -13.899   1.963
  456   2HD1  LEU 976          2HD1      LEU 976   5.102 -13.439   3.662
  457   3HD1  LEU 976          3HD1      LEU 976   5.286 -12.217   2.403
  458   1HD2  LEU 976          1HD2      LEU 976   7.436 -11.561   3.420
  459   2HD2  LEU 976          2HD2      LEU 976   7.350 -12.832   4.638
  460   3HD2  LEU 976          3HD2      LEU 976   8.744 -12.736   3.563
  461    HA   PRO 977           HA       PRO 977   9.566 -18.984   2.318
  462   1HB   PRO 977          HB1       PRO 977   8.892 -20.698   4.388
  463   2HB   PRO 977          HB2       PRO 977  10.050 -19.369   4.512
  464   1HG   PRO 977          HG1       PRO 977   7.173 -19.461   5.315
  465   2HG   PRO 977          HG2       PRO 977   8.547 -18.703   6.143
  466   1HD   PRO 977          HD1       PRO 977   6.807 -17.244   4.737
  467   2HD   PRO 977          HD2       PRO 977   8.539 -16.859   4.737
  468    H    ALA 978           H        ALA 978   6.163 -19.567   2.990
  469    HA   ALA 978           HA       ALA 978   5.916 -22.105   1.849
  470   1HB   ALA 978          HB1       ALA 978   3.568 -21.593   1.555
  471   2HB   ALA 978          HB2       ALA 978   4.126 -20.983   3.113
  472   3HB   ALA 978          HB3       ALA 978   3.892 -19.872   1.763
  473    H    SER 979           H        SER 979   5.577 -18.889   0.295
  474    HA   SER 979           HA       SER 979   6.654 -19.797  -2.171
  475   1HB   SER 979          HB1       SER 979   4.278 -20.857  -2.012
  476   2HB   SER 979          HB2       SER 979   3.707 -19.222  -2.362
  477    HG   SER 979           HG       SER 979   5.700 -20.393  -3.979
  478    H    THR 980           H        THR 980   4.754 -17.465  -0.419
  479    HA   THR 980           HA       THR 980   4.512 -15.461  -2.358
  480    HB   THR 980           HB       THR 980   4.570 -15.045   0.625
  481    HG1  THR 980           HG1      THR 980   3.032 -16.551   0.401
  482   1HG2  THR 980          1HG2      THR 980   4.561 -12.993  -0.707
  483   2HG2  THR 980          2HG2      THR 980   3.162 -13.578  -1.607
  484   3HG2  THR 980          3HG2      THR 980   3.016 -13.219   0.114
  485    H    HIS 981           H        HIS 981   7.259 -16.238  -0.385
  486    HA   HIS 981           HA       HIS 981   8.396 -13.766   0.053
  487   1HB   HIS 981          HB1       HIS 981   9.272 -15.830   1.022
  488   2HB   HIS 981          HB2       HIS 981   9.823 -16.360  -0.561
  489    HD1  HIS 981           HD1      HIS 981  12.279 -16.236  -0.579
  490    HD2  HIS 981           HD2      HIS 981  10.589 -12.976   1.376
  491    HE1  HIS 981           HE1      HIS 981  14.211 -14.755   0.070
  492    HE2  HIS 981           HE2      HIS 981  13.171 -12.821   1.321
  493    H    ARG 982           H        ARG 982   8.105 -15.390  -2.989
  494    HA   ARG 982           HA       ARG 982  10.193 -13.889  -4.283
  495   1HB   ARG 982          HB1       ARG 982   7.862 -15.451  -5.403
  496   2HB   ARG 982          HB2       ARG 982   9.105 -14.698  -6.391
  497   1HG   ARG 982          HG1       ARG 982  10.792 -16.124  -5.447
  498   2HG   ARG 982          HG2       ARG 982   9.628 -16.804  -4.305
  499   1HD   ARG 982          HD1       ARG 982   9.367 -16.987  -7.302
  500   2HD   ARG 982          HD2       ARG 982  10.094 -18.240  -6.299
  501    HE   ARG 982           HE       ARG 982   7.944 -18.581  -5.265
  502   1HH1  ARG 982          2HH1      ARG 982   7.917 -16.537  -8.114
  503   2HH1  ARG 982          1HH1      ARG 982   6.242 -16.841  -8.473
  504   1HH2  ARG 982          2HH2      ARG 982   5.754 -18.989  -5.730
  505   2HH2  ARG 982          1HH2      ARG 982   5.014 -18.260  -7.129
  506    H    GLU 983           H        GLU 983   6.605 -13.743  -4.501
  507    HA   GLU 983           HA       GLU 983   6.687 -11.282  -5.934
  508   1HB   GLU 983          HB1       GLU 983   4.743 -13.080  -5.673
  509   2HB   GLU 983          HB2       GLU 983   4.259 -11.988  -4.388
  510   1HG   GLU 983          HG1       GLU 983   3.131 -10.996  -6.075
  511   2HG   GLU 983          HG2       GLU 983   4.689 -10.185  -6.287
  512    H    ILE 984           H        ILE 984   6.116 -12.100  -2.547
  513    HA   ILE 984           HA       ILE 984   5.154  -9.586  -1.772
  514    HB   ILE 984           HB       ILE 984   5.219 -11.887  -0.516
  515   1HG1  ILE 984          1HG1      ILE 984   4.107  -9.728   0.217
  516   2HG1  ILE 984          2HG1      ILE 984   4.579 -10.824   1.505
  517   1HG2  ILE 984          1HG2      ILE 984   7.605 -12.094  -0.324
  518   2HG2  ILE 984          2HG2      ILE 984   7.716 -10.543   0.509
  519   3HG2  ILE 984          3HG2      ILE 984   6.912 -11.907   1.286
  520   1HD1  ILE 984          1HD1      ILE 984   6.064  -8.351   0.662
  521   2HD1  ILE 984          2HD1      ILE 984   5.042  -8.523   2.089
  522   3HD1  ILE 984          3HD1      ILE 984   6.536  -9.449   1.957
  523    H    GLU 985           H        GLU 985   8.426 -10.907  -1.952
  524    HA   GLU 985           HA       GLU 985   9.829  -8.725  -0.937
  525   1HB   GLU 985          HB1       GLU 985  10.467 -10.894  -2.856
  526   2HB   GLU 985          HB2       GLU 985  11.549  -9.509  -2.824
  527   1HG   GLU 985          HG1       GLU 985  10.792 -11.092  -0.385
  528   2HG   GLU 985          HG2       GLU 985  12.219 -11.420  -1.367
  529    H    MET 986           H        MET 986   8.611  -9.229  -4.271
  530    HA   MET 986           HA       MET 986   9.874  -6.935  -5.298
  531   1HB   MET 986          HB1       MET 986   8.696  -7.205  -7.279
  532   2HB   MET 986          HB2       MET 986   8.785  -8.835  -6.635
  533   1HG   MET 986          HG1       MET 986   6.519  -8.765  -5.931
  534   2HG   MET 986          HG2       MET 986   6.400  -7.040  -6.271
  535   1HE   MET 986          HE1       MET 986   6.524  -6.033  -8.735
  536   2HE   MET 986          HE2       MET 986   7.989  -6.940  -9.109
  537   3HE   MET 986          HE3       MET 986   6.604  -7.013 -10.199
  538    H    ALA 987           H        ALA 987   6.617  -7.328  -3.964
  539    HA   ALA 987           HA       ALA 987   5.921  -4.608  -4.509
  540   1HB   ALA 987          HB1       ALA 987   4.411  -6.552  -2.801
  541   2HB   ALA 987          HB2       ALA 987   3.794  -5.116  -3.620
  542   3HB   ALA 987          HB3       ALA 987   4.313  -6.515  -4.560
  543    H    GLN 988           H        GLN 988   6.731  -6.475  -1.593
  544    HA   GLN 988           HA       GLN 988   6.029  -4.472   0.226
  545   1HB   GLN 988          HB1       GLN 988   6.427  -6.742   0.970
  546   2HB   GLN 988          HB2       GLN 988   8.116  -6.641   0.493
  547   1HG   GLN 988          HG1       GLN 988   8.487  -4.910   2.186
  548   2HG   GLN 988          HG2       GLN 988   6.798  -5.037   2.674
  549   1HE2  GLN 988          2HE2      GLN 988   7.414  -5.594   4.772
  550   2HE2  GLN 988          1HE2      GLN 988   8.004  -7.178   5.146
  551    H    LYS 989           H        LYS 989   9.197  -5.153  -1.278
  552    HA   LYS 989           HA       LYS 989  10.527  -2.999   0.009
  553   1HB   LYS 989          HB1       LYS 989  11.673  -4.928  -1.135
  554   2HB   LYS 989          HB2       LYS 989  11.225  -4.207  -2.678
  555   1HG   LYS 989          HG1       LYS 989  12.541  -2.245  -2.188
  556   2HG   LYS 989          HG2       LYS 989  12.918  -2.861  -0.578
  557   1HD   LYS 989          HD1       LYS 989  13.992  -4.835  -1.703
  558   2HD   LYS 989          HD2       LYS 989  13.789  -3.981  -3.235
  559   1HE   LYS 989          HE1       LYS 989  15.272  -2.887  -0.852
  560   2HE   LYS 989          HE2       LYS 989  16.040  -3.711  -2.206
  561   1HZ   LYS 989          HZ1       LYS 989  15.353  -1.995  -3.681
  562   2HZ   LYS 989          HZ2       LYS 989  14.395  -1.256  -2.497
  563   3HZ   LYS 989          HZ3       LYS 989  16.079  -1.251  -2.346
  564    H    LEU 990           H        LEU 990   8.580  -3.334  -2.849
  565    HA   LEU 990           HA       LEU 990   9.026  -0.781  -3.966
  566   1HB   LEU 990          HB1       LEU 990   8.056  -2.154  -5.485
  567   2HB   LEU 990          HB2       LEU 990   7.141  -3.025  -4.280
  568    HG   LEU 990           HG       LEU 990   5.498  -1.191  -4.236
  569   1HD1  LEU 990          1HD1      LEU 990   5.547   0.478  -6.051
  570   2HD1  LEU 990          2HD1      LEU 990   6.928   0.649  -4.967
  571   3HD1  LEU 990          3HD1      LEU 990   7.133  -0.119  -6.542
  572   1HD2  LEU 990          1HD2      LEU 990   4.500  -1.712  -6.402
  573   2HD2  LEU 990          2HD2      LEU 990   6.035  -2.388  -6.947
  574   3HD2  LEU 990          3HD2      LEU 990   5.154  -3.153  -5.624
  575    H    LEU 991           H        LEU 991   6.723  -1.993  -1.570
  576    HA   LEU 991           HA       LEU 991   5.092   0.256  -1.251
  577   1HB   LEU 991          HB1       LEU 991   6.041  -1.558   0.959
  578   2HB   LEU 991          HB2       LEU 991   4.585  -0.584   0.949
  579    HG   LEU 991           HG       LEU 991   5.017  -2.809  -1.007
  580   1HD1  LEU 991          1HD1      LEU 991   5.233  -3.723   1.251
  581   2HD1  LEU 991          2HD1      LEU 991   3.731  -2.930   1.727
  582   3HD1  LEU 991          3HD1      LEU 991   3.706  -4.218   0.522
  583   1HD2  LEU 991          1HD2      LEU 991   3.266  -1.218  -1.546
  584   2HD2  LEU 991          2HD2      LEU 991   2.562  -2.767  -1.078
  585   3HD2  LEU 991          3HD2      LEU 991   2.566  -1.418   0.059
  586    H    ASN 992           H        ASN 992   7.941  -0.735   0.616
  587    HA   ASN 992           HA       ASN 992   8.054   1.455   2.320
  588   1HB   ASN 992          HB1       ASN 992   9.342  -0.541   2.771
  589   2HB   ASN 992          HB2       ASN 992  10.271  -0.329   1.292
  590   1HD2  ASN 992          2HD2      ASN 992   9.731   0.828   4.531
  591   2HD2  ASN 992          1HD2      ASN 992  11.191   1.750   4.665
  592    H    SER 993           H        SER 993   9.138   1.086  -0.962
  593    HA   SER 993           HA       SER 993  10.856   3.370  -0.909
  594   1HB   SER 993          HB1       SER 993   9.740   1.840  -3.267
  595   2HB   SER 993          HB2       SER 993  11.079   2.991  -3.313
  596    HG   SER 993           HG       SER 993  10.972   0.462  -2.029
  597    H    ASP 994           H        ASP 994   7.458   2.800  -1.827
  598    HA   ASP 994           HA       ASP 994   7.428   5.559  -2.834
  599   1HB   ASP 994          HB1       ASP 994   5.683   3.213  -3.464
  600   2HB   ASP 994          HB2       ASP 994   5.143   4.858  -3.802
  601    H    LEU 995           H        LEU 995   5.782   3.517  -0.424
  602    HA   LEU 995           HA       LEU 995   4.070   5.537   0.537
  603   1HB   LEU 995          HB1       LEU 995   3.797   3.312   1.430
  604   2HB   LEU 995          HB2       LEU 995   5.452   3.267   1.997
  605    HG   LEU 995           HG       LEU 995   3.575   3.515   3.710
  606   1HD1  LEU 995          1HD1      LEU 995   4.895   5.004   5.138
  607   2HD1  LEU 995          2HD1      LEU 995   5.895   3.811   4.311
  608   3HD1  LEU 995          3HD1      LEU 995   5.856   5.478   3.737
  609   1HD2  LEU 995          1HD2      LEU 995   2.860   5.833   4.152
  610   2HD2  LEU 995          2HD2      LEU 995   3.614   6.325   2.636
  611   3HD2  LEU 995          3HD2      LEU 995   2.256   5.201   2.620
  612    H    ALA 996           H        ALA 996   7.479   4.877   1.109
  613    HA   ALA 996           HA       ALA 996   7.912   6.924   3.009
  614   1HB   ALA 996          HB1       ALA 996   9.529   5.121   2.647
  615   2HB   ALA 996          HB2       ALA 996   9.918   5.800   1.067
  616   3HB   ALA 996          HB3       ALA 996  10.279   6.712   2.532
  617    H    GLU 997           H        GLU 997   8.421   6.944  -0.526
  618    HA   GLU 997           HA       GLU 997   9.058   9.574  -0.849
  619   1HB   GLU 997          HB1       GLU 997   7.439   7.722  -2.535
  620   2HB   GLU 997          HB2       GLU 997   7.618   9.414  -2.997
  621   1HG   GLU 997          HG1       GLU 997   9.945   7.645  -2.378
  622   2HG   GLU 997          HG2       GLU 997   9.263   7.798  -4.000
  623    H    LEU 998           H        LEU 998   5.779   8.257  -0.395
  624    HA   LEU 998           HA       LEU 998   4.550  10.804  -0.743
  625   1HB   LEU 998          HB1       LEU 998   3.671   8.135  -0.062
  626   2HB   LEU 998          HB2       LEU 998   2.888   9.330   0.955
  627    HG   LEU 998           HG       LEU 998   2.776   9.088  -2.041
  628   1HD1  LEU 998          1HD1      LEU 998   0.658   9.223   0.099
  629   2HD1  LEU 998          2HD1      LEU 998   0.366   9.089  -1.635
  630   3HD1  LEU 998          3HD1      LEU 998   1.169   7.776  -0.772
  631   1HD2  LEU 998          1HD2      LEU 998   3.192  11.436  -1.528
  632   2HD2  LEU 998          2HD2      LEU 998   1.536  11.192  -2.084
  633   3HD2  LEU 998          3HD2      LEU 998   1.864  11.426  -0.368
  634    H    ILE 999           H        ILE 999   6.066   9.159   1.895
  635    HA   ILE 999           HA       ILE 999   5.091  10.819   3.997
  636    HB   ILE 999           HB       ILE 999   7.668   9.244   3.818
  637   1HG1  ILE 999          1HG1      ILE 999   5.690   7.832   3.721
  638   2HG1  ILE 999          2HG1      ILE 999   6.494   7.636   5.274
  639   1HG2  ILE 999          1HG2      ILE 999   7.798   9.461   6.251
  640   2HG2  ILE 999          2HG2      ILE 999   7.898  11.029   5.450
  641   3HG2  ILE 999          3HG2      ILE 999   6.396  10.530   6.230
  642   1HD1  ILE 999          1HD1      ILE 999   4.092   7.704   5.542
  643   2HD1  ILE 999          2HD1      ILE 999   4.838   9.107   6.306
  644   3HD1  ILE 999          3HD1      ILE 999   4.028   9.279   4.749
  645    H    ASN1000           H        ASN1000   7.984  10.960   1.948
  646    HA   ASN1000           HA       ASN1000   8.853  13.491   3.030
  647   1HB   ASN1000          HB1       ASN1000   9.689  12.159   0.439
  648   2HB   ASN1000          HB2       ASN1000  10.555  13.423   1.300
  649   1HD2  ASN1000          2HD2      ASN1000  11.327  10.709   0.456
  650   2HD2  ASN1000          1HD2      ASN1000  11.889   9.926   1.891
  651    H    LYS1001           H        LYS1001   6.543  12.540   0.749
  652    HA   LYS1001           HA       LYS1001   6.672  15.048  -0.706
  653   1HB   LYS1001          HB1       LYS1001   5.301  12.474  -1.105
  654   2HB   LYS1001          HB2       LYS1001   4.407  13.894  -1.636
  655   1HG   LYS1001          HG1       LYS1001   5.841  12.809  -3.386
  656   2HG   LYS1001          HG2       LYS1001   6.126  14.532  -3.141
  657   1HD   LYS1001          HD1       LYS1001   8.053  13.935  -1.676
  658   2HD   LYS1001          HD2       LYS1001   7.799  12.244  -2.102
  659   1HE   LYS1001          HE1       LYS1001   8.284  14.398  -4.148
  660   2HE   LYS1001          HE2       LYS1001   9.585  13.471  -3.406
  661   1HZ   LYS1001          HZ1       LYS1001   7.324  12.207  -4.848
  662   2HZ   LYS1001          HZ2       LYS1001   8.779  12.631  -5.600
  663   3HZ   LYS1001          HZ3       LYS1001   8.775  11.478  -4.356
  664    H    MET1002           H        MET1002   4.515  13.474   1.643
  665    HA   MET1002           HA       MET1002   2.762  15.665   1.950
  666   1HB   MET1002          HB1       MET1002   2.080  14.645   3.995
  667   2HB   MET1002          HB2       MET1002   2.452  13.321   2.904
  668   1HG   MET1002          HG1       MET1002   4.634  13.053   3.990
  669   2HG   MET1002          HG2       MET1002   4.236  14.366   5.095
  670   1HE   MET1002          HE1       MET1002   5.222  11.661   6.256
  671   2HE   MET1002          HE2       MET1002   4.650  12.998   7.255
  672   3HE   MET1002          HE3       MET1002   4.038  11.368   7.529
  673    H    LYS1003           H        LYS1003   5.806  14.696   3.335
  674    HA   LYS1003           HA       LYS1003   6.236  16.838   5.080
  675   1HB   LYS1003          HB1       LYS1003   7.507  14.673   4.981
  676   2HB   LYS1003          HB2       LYS1003   8.280  15.241   3.513
  677   1HG   LYS1003          HG1       LYS1003   9.445  16.937   4.676
  678   2HG   LYS1003          HG2       LYS1003   8.473  16.700   6.135
  679   1HD   LYS1003          HD1       LYS1003   9.385  14.352   6.224
  680   2HD   LYS1003          HD2       LYS1003  10.495  14.812   4.933
  681   1HE   LYS1003          HE1       LYS1003  10.314  16.267   7.563
  682   2HE   LYS1003          HE2       LYS1003  11.424  14.930   7.268
  683   1HZ   LYS1003          HZ1       LYS1003  12.490  17.072   6.952
  684   2HZ   LYS1003          HZ2       LYS1003  12.445  16.204   5.495
  685   3HZ   LYS1003          HZ3       LYS1003  11.365  17.486   5.757
  686    H    LEU1004           H        LEU1004   7.414  16.261   1.790
  687    HA   LEU1004           HA       LEU1004   8.587  18.596   1.123
  688   1HB   LEU1004          HB1       LEU1004   8.330  16.534  -0.267
  689   2HB   LEU1004          HB2       LEU1004   6.715  17.077  -0.671
  690    HG   LEU1004           HG       LEU1004   7.790  19.154  -1.651
  691   1HD1  LEU1004          1HD1      LEU1004   9.954  18.931  -0.520
  692   2HD1  LEU1004          2HD1      LEU1004  10.268  17.451  -1.427
  693   3HD1  LEU1004          3HD1      LEU1004  10.131  18.993  -2.274
  694   1HD2  LEU1004          1HD2      LEU1004   6.895  17.354  -3.012
  695   2HD2  LEU1004          2HD2      LEU1004   8.375  17.997  -3.728
  696   3HD2  LEU1004          3HD2      LEU1004   8.411  16.465  -2.856
  697    H    ALA1005           H        ALA1005   5.121  17.967   0.515
  698    HA   ALA1005           HA       ALA1005   4.536  20.512  -0.496
  699   1HB   ALA1005          HB1       ALA1005   3.034  18.620  -0.775
  700   2HB   ALA1005          HB2       ALA1005   2.723  18.589   0.959
  701   3HB   ALA1005          HB3       ALA1005   2.188  19.965  -0.008
  702    H    GLN1006           H        GLN1006   4.314  19.219   2.767
  703    HA   GLN1006           HA       GLN1006   3.417  21.683   3.916
  704   1HB   GLN1006          HB1       GLN1006   3.075  20.423   5.794
  705   2HB   GLN1006          HB2       GLN1006   3.167  19.122   4.613
  706   1HG   GLN1006          HG1       GLN1006   4.521  18.274   6.205
  707   2HG   GLN1006          HG2       GLN1006   5.715  19.165   5.264
  708   1HE2  GLN1006          2HE2      GLN1006   7.057  19.255   7.099
  709   2HE2  GLN1006          1HE2      GLN1006   6.749  20.370   8.381
  710    H    GLN1007           H        GLN1007   6.350  20.546   2.834
  711    HA   GLN1007           HA       GLN1007   8.086  21.730   4.796
  712   1HB   GLN1007          HB1       GLN1007   8.387  19.669   3.112
  713   2HB   GLN1007          HB2       GLN1007   9.031  20.939   2.084
  714   1HG   GLN1007          HG1       GLN1007  10.870  19.981   3.131
  715   2HG   GLN1007          HG2       GLN1007  10.596  21.497   4.000
  716   1HE2  GLN1007          2HE2      GLN1007   8.180  19.992   5.282
  717   2HE2  GLN1007          1HE2      GLN1007   8.946  19.104   6.561
  718    H    TYR1008           H        TYR1008   6.987  22.488   1.526
  719    HA   TYR1008           HA       TYR1008   8.138  25.193   1.851
  720   1HB   TYR1008          HB1       TYR1008   7.300  24.007  -0.779
  721   2HB   TYR1008          HB2       TYR1008   8.350  25.382  -0.491
  722    HD1  TYR1008           HD1      TYR1008   8.323  22.281  -1.746
  723    HD2  TYR1008           HD2      TYR1008  10.512  24.518   1.127
  724    HE1  TYR1008           HE1      TYR1008  10.250  20.838  -2.142
  725    HE2  TYR1008           HE2      TYR1008  12.467  23.057   0.780
  726    HH   TYR1008           HH       TYR1008  12.704  20.909  -1.846
  727    H    VAL1009           H        VAL1009   5.558  23.944   2.691
  728    HA   VAL1009           HA       VAL1009   3.272  24.365   1.544
  729    HB   VAL1009           HB       VAL1009   3.160  23.801   3.786
  730   1HG1  VAL1009          1HG1      VAL1009   3.957  25.231   5.628
  731   2HG1  VAL1009          2HG1      VAL1009   5.257  24.782   4.525
  732   3HG1  VAL1009          3HG1      VAL1009   4.556  26.398   4.449
  733   1HG2  VAL1009          1HG2      VAL1009   2.130  26.638   3.672
  734   2HG2  VAL1009          2HG2      VAL1009   1.260  25.197   3.147
  735   3HG2  VAL1009          3HG2      VAL1009   1.661  25.413   4.851
  736    H    MET1010           H        MET1010   2.590  25.734   0.114
  737    HA   MET1010           HA       MET1010   1.233  27.476  -0.425
  738   1HB   MET1010          HB1       MET1010   0.902  27.848   2.008
  739   2HB   MET1010          HB2       MET1010   2.312  28.894   2.016
  740   1HG   MET1010          HG1       MET1010   0.157  30.106   1.967
  741   2HG   MET1010          HG2       MET1010   1.222  30.491   0.615
  742   1HE   MET1010          HE1       MET1010  -0.876  31.615  -0.585
  743   2HE   MET1010          HE2       MET1010  -2.385  30.767  -0.927
  744   3HE   MET1010          HE3       MET1010  -1.943  31.148   0.738
  745    H    THR1011           H        THR1011   1.365  29.640  -1.323
  746    HA   THR1011           HA       THR1011   2.314  31.435  -2.321
  747    HB   THR1011           HB       THR1011   4.987  30.626  -1.171
  748    HG1  THR1011           HG1      THR1011   4.135  31.108   0.698
  749   1HG2  THR1011          1HG2      THR1011   3.877  33.297  -2.047
  750   2HG2  THR1011          2HG2      THR1011   5.474  33.021  -1.351
  751   3HG2  THR1011          3HG2      THR1011   5.070  32.337  -2.925
  752    H    SER1012           H        SER1012   1.755  30.005  -4.155
  753    HA   SER1012           HA       SER1012   2.141  29.540  -6.325
  754   1HB   SER1012          HB1       SER1012   4.807  30.840  -5.772
  755   2HB   SER1012          HB2       SER1012   4.198  30.439  -7.379
  756    HG   SER1012           HG       SER1012   2.293  31.762  -6.693
  757    H    LEU1013           H        LEU1013   5.344  28.925  -4.881
  758    HA   LEU1013           HA       LEU1013   6.002  26.958  -6.774
  759   1HB   LEU1013          HB1       LEU1013   7.197  27.686  -4.117
  760   2HB   LEU1013          HB2       LEU1013   7.844  26.381  -5.089
  761    HG   LEU1013           HG       LEU1013   9.185  28.292  -5.508
  762   1HD1  LEU1013          1HD1      LEU1013   7.254  27.964  -7.794
  763   2HD1  LEU1013          2HD1      LEU1013   8.870  28.665  -7.896
  764   3HD1  LEU1013          3HD1      LEU1013   8.671  26.965  -7.474
  765   1HD2  LEU1013          1HD2      LEU1013   7.736  30.032  -4.688
  766   2HD2  LEU1013          2HD2      LEU1013   8.251  30.419  -6.330
  767   3HD2  LEU1013          3HD2      LEU1013   6.629  29.794  -6.042
  768    H    GLN1014           H        GLN1014   4.024  26.692  -4.035
  769    HA   GLN1014           HA       GLN1014   4.632  24.208  -2.983
  770   1HB   GLN1014          HB1       GLN1014   2.865  25.921  -2.216
  771   2HB   GLN1014          HB2       GLN1014   1.795  25.148  -3.374
  772   1HG   GLN1014          HG1       GLN1014   3.150  23.597  -1.190
  773   2HG   GLN1014          HG2       GLN1014   1.612  24.422  -0.949
  774   1HE2  GLN1014          2HE2      GLN1014   3.239  21.796  -2.470
  775   2HE2  GLN1014          1HE2      GLN1014   1.826  21.003  -3.064
  776    H    GLN1015           H        GLN1015   2.670  24.985  -5.832
  777    HA   GLN1015           HA       GLN1015   1.448  22.508  -6.163
  778   1HB   GLN1015          HB1       GLN1015   2.216  24.567  -8.179
  779   2HB   GLN1015          HB2       GLN1015   1.196  23.191  -8.561
  780   1HG   GLN1015          HG1       GLN1015  -0.366  23.981  -6.774
  781   2HG   GLN1015          HG2       GLN1015   0.619  25.436  -6.641
  782   1HE2  GLN1015          2HE2      GLN1015  -1.037  26.788  -7.278
  783   2HE2  GLN1015          1HE2      GLN1015  -1.623  26.852  -8.907
  784    H    GLU1016           H        GLU1016   4.602  23.573  -7.493
  785    HA   GLU1016           HA       GLU1016   5.498  21.376  -8.789
  786   1HB   GLU1016          HB1       GLU1016   7.086  23.072  -8.491
  787   2HB   GLU1016          HB2       GLU1016   6.825  23.141  -6.755
  788   1HG   GLU1016          HG1       GLU1016   8.809  22.085  -6.711
  789   2HG   GLU1016          HG2       GLU1016   7.812  20.661  -6.928
  790    H    TYR1017           H        TYR1017   5.389  21.754  -5.307
  791    HA   TYR1017           HA       TYR1017   6.434  19.131  -4.773
  792   1HB   TYR1017          HB1       TYR1017   5.212  21.076  -2.804
  793   2HB   TYR1017          HB2       TYR1017   6.452  19.844  -2.505
  794    HD1  TYR1017           HD1      TYR1017   6.007  23.258  -2.902
  795    HD2  TYR1017           HD2      TYR1017   8.533  20.096  -4.210
  796    HE1  TYR1017           HE1      TYR1017   7.739  24.901  -3.513
  797    HE2  TYR1017           HE2      TYR1017  10.276  21.721  -4.806
  798    HH   TYR1017           HH       TYR1017  10.469  24.064  -5.399
  799    H    LYS1018           H        LYS1018   3.384  20.663  -5.117
  800    HA   LYS1018           HA       LYS1018   1.770  18.559  -4.069
  801   1HB   LYS1018          HB1       LYS1018   1.033  20.942  -4.595
  802   2HB   LYS1018          HB2       LYS1018   1.037  20.481  -6.290
  803   1HG   LYS1018          HG1       LYS1018  -0.583  18.630  -5.614
  804   2HG   LYS1018          HG2       LYS1018  -0.749  19.505  -4.090
  805   1HD   LYS1018          HD1       LYS1018  -1.291  20.623  -6.842
  806   2HD   LYS1018          HD2       LYS1018  -2.513  20.120  -5.677
  807   1HE   LYS1018          HE1       LYS1018  -0.488  22.288  -5.142
  808   2HE   LYS1018          HE2       LYS1018  -2.090  22.597  -5.804
  809   1HZ   LYS1018          HZ1       LYS1018  -1.497  21.384  -3.159
  810   2HZ   LYS1018          HZ2       LYS1018  -2.075  22.947  -3.432
  811   3HZ   LYS1018          HZ3       LYS1018  -3.050  21.604  -3.797
  812    H    LYS1019           H        LYS1019   3.374  19.210  -7.118
  813    HA   LYS1019           HA       LYS1019   2.028  17.149  -8.595
  814   1HB   LYS1019          HB1       LYS1019   4.340  18.973  -9.081
  815   2HB   LYS1019          HB2       LYS1019   4.180  17.543 -10.091
  816   1HG   LYS1019          HG1       LYS1019   1.962  19.539  -9.722
  817   2HG   LYS1019          HG2       LYS1019   3.170  19.657 -11.005
  818   1HD   LYS1019          HD1       LYS1019   1.280  17.345 -10.545
  819   2HD   LYS1019          HD2       LYS1019   1.136  18.564 -11.812
  820   1HE   LYS1019          HE1       LYS1019   3.296  17.845 -12.731
  821   2HE   LYS1019          HE2       LYS1019   3.410  16.611 -11.479
  822   1HZ   LYS1019          HZ1       LYS1019   1.407  16.765 -13.664
  823   2HZ   LYS1019          HZ2       LYS1019   2.618  15.597 -13.455
  824   3HZ   LYS1019          HZ3       LYS1019   1.315  15.662 -12.376
  825    H    GLN1020           H        GLN1020   5.424  17.466  -7.570
  826    HA   GLN1020           HA       GLN1020   6.233  14.869  -7.786
  827   1HB   GLN1020          HB1       GLN1020   6.941  16.541  -5.375
  828   2HB   GLN1020          HB2       GLN1020   7.916  15.296  -6.145
  829   1HG   GLN1020          HG1       GLN1020   7.991  16.772  -8.181
  830   2HG   GLN1020          HG2       GLN1020   7.256  18.035  -7.196
  831   1HE2  GLN1020          2HE2      GLN1020   9.802  18.163  -8.469
  832   2HE2  GLN1020          1HE2      GLN1020  10.990  18.338  -7.212
  833    H    MET1021           H        MET1021   4.149  16.222  -5.307
  834    HA   MET1021           HA       MET1021   4.054  13.941  -3.628
  835   1HB   MET1021          HB1       MET1021   3.334  16.195  -2.911
  836   2HB   MET1021          HB2       MET1021   1.977  16.107  -4.021
  837   1HG   MET1021          HG1       MET1021   2.345  14.065  -1.867
  838   2HG   MET1021          HG2       MET1021   1.589  15.619  -1.530
  839   1HE   MET1021          HE1       MET1021  -1.504  15.495  -3.975
  840   2HE   MET1021          HE2       MET1021  -0.685  16.441  -2.730
  841   3HE   MET1021          HE3       MET1021   0.096  16.169  -4.288
  842    H    LEU1022           H        LEU1022   1.982  15.056  -6.293
  843    HA   LEU1022           HA       LEU1022   0.157  12.927  -6.260
  844   1HB   LEU1022          HB1       LEU1022   1.115  14.643  -8.553
  845   2HB   LEU1022          HB2       LEU1022  -0.217  13.510  -8.675
  846    HG   LEU1022           HG       LEU1022  -0.144  15.887  -6.815
  847   1HD1  LEU1022          1HD1      LEU1022  -1.806  16.849  -8.342
  848   2HD1  LEU1022          2HD1      LEU1022  -0.241  16.607  -9.121
  849   3HD1  LEU1022          3HD1      LEU1022  -1.567  15.489  -9.439
  850   1HD2  LEU1022          1HD2      LEU1022  -2.350  13.949  -7.503
  851   2HD2  LEU1022          2HD2      LEU1022  -1.518  14.086  -5.954
  852   3HD2  LEU1022          3HD2      LEU1022  -2.535  15.408  -6.529
  853    H    THR1023           H        THR1023   3.269  13.291  -7.900
  854    HA   THR1023           HA       THR1023   3.226  10.884  -9.352
  855    HB   THR1023           HB       THR1023   5.660  12.252  -8.190
  856    HG1  THR1023           HG1      THR1023   4.117  12.798 -10.523
  857   1HG2  THR1023          1HG2      THR1023   6.793  11.312 -10.161
  858   2HG2  THR1023          2HG2      THR1023   6.109  10.047  -9.139
  859   3HG2  THR1023          3HG2      THR1023   5.294  10.511 -10.633
  860    H    ALA1024           H        ALA1024   4.016  11.623  -6.035
  861    HA   ALA1024           HA       ALA1024   5.150   9.030  -5.477
  862   1HB   ALA1024          HB1       ALA1024   5.233   9.788  -3.155
  863   2HB   ALA1024          HB2       ALA1024   5.929  10.988  -4.245
  864   3HB   ALA1024          HB3       ALA1024   4.309  11.226  -3.587
  865    H    ALA1025           H        ALA1025   2.118  10.739  -4.876
  866    HA   ALA1025           HA       ALA1025   0.839   8.758  -3.359
  867   1HB   ALA1025          HB1       ALA1025  -1.240   9.897  -3.951
  868   2HB   ALA1025          HB2       ALA1025   0.020  11.053  -3.516
  869   3HB   ALA1025          HB3       ALA1025  -0.395  10.794  -5.211
  870    H    HIS1026           H        HIS1026   1.044   9.253  -6.852
  871    HA   HIS1026           HA       HIS1026  -0.742   7.152  -7.506
  872   1HB   HIS1026          HB1       HIS1026  -0.257   8.864  -9.164
  873   2HB   HIS1026          HB2       HIS1026   1.453   8.446  -9.146
  874    HD1  HIS1026           HD1      HIS1026   2.067   7.211 -11.192
  875    HD2  HIS1026           HD2      HIS1026  -1.774   6.245  -9.913
  876    HE1  HIS1026           HE1      HIS1026   1.195   5.537 -12.856
  877    HE2  HIS1026           HE2      HIS1026  -1.089   4.882 -12.003
  878    H    ALA1027           H        ALA1027   2.794   7.340  -7.358
  879    HA   ALA1027           HA       ALA1027   3.299   4.674  -8.061
  880   1HB   ALA1027          HB1       ALA1027   5.020   6.408  -8.047
  881   2HB   ALA1027          HB2       ALA1027   4.931   6.484  -6.286
  882   3HB   ALA1027          HB3       ALA1027   5.499   5.014  -7.080
  883    H    LEU1028           H        LEU1028   2.569   6.206  -4.994
  884    HA   LEU1028           HA       LEU1028   2.908   3.996  -3.293
  885   1HB   LEU1028          HB1       LEU1028   2.594   6.231  -2.412
  886   2HB   LEU1028          HB2       LEU1028   1.002   6.328  -3.133
  887    HG   LEU1028           HG       LEU1028   1.123   4.019  -1.437
  888   1HD1  LEU1028          1HD1      LEU1028   1.870   6.629  -0.133
  889   2HD1  LEU1028          2HD1      LEU1028   1.375   5.165   0.715
  890   3HD1  LEU1028          3HD1      LEU1028   2.866   5.177  -0.225
  891   1HD2  LEU1028          1HD2      LEU1028  -0.912   5.155  -2.162
  892   2HD2  LEU1028          2HD2      LEU1028  -0.808   5.094  -0.402
  893   3HD2  LEU1028          3HD2      LEU1028  -0.440   6.593  -1.255
  894    H    ALA1029           H        ALA1029   0.004   5.250  -4.880
  895    HA   ALA1029           HA       ALA1029  -1.733   3.226  -4.157
  896   1HB   ALA1029          HB1       ALA1029  -3.065   3.813  -6.125
  897   2HB   ALA1029          HB2       ALA1029  -2.461   5.257  -5.313
  898   3HB   ALA1029          HB3       ALA1029  -1.693   4.694  -6.798
  899    H    VAL1030           H        VAL1030   0.585   3.316  -6.844
  900    HA   VAL1030           HA       VAL1030  -0.022   0.784  -7.883
  901    HB   VAL1030           HB       VAL1030   2.610   2.266  -7.988
  902   1HG1  VAL1030          1HG1      VAL1030   1.535   0.076  -9.757
  903   2HG1  VAL1030          2HG1      VAL1030   3.049   0.948  -9.993
  904   3HG1  VAL1030          3HG1      VAL1030   2.840  -0.094  -8.584
  905   1HG2  VAL1030          1HG2      VAL1030   0.264   2.276  -9.884
  906   2HG2  VAL1030          2HG2      VAL1030   0.796   3.615  -8.866
  907   3HG2  VAL1030          3HG2      VAL1030   1.822   3.046 -10.182
  908    H    ASP1031           H        ASP1031   1.946   1.702  -5.100
  909    HA   ASP1031           HA       ASP1031   3.227  -0.890  -5.031
  910   1HB   ASP1031          HB1       ASP1031   4.302  -0.279  -2.989
  911   2HB   ASP1031          HB2       ASP1031   4.384   1.103  -4.059
  912    H    ALA1032           H        ALA1032   0.553   0.707  -3.407
  913    HA   ALA1032           HA       ALA1032  -0.277  -1.443  -1.795
  914   1HB   ALA1032          HB1       ALA1032  -2.469  -0.352  -1.809
  915   2HB   ALA1032          HB2       ALA1032  -1.171   0.815  -1.548
  916   3HB   ALA1032          HB3       ALA1032  -1.941   0.691  -3.130
  917    H    LYS1033           H        LYS1033  -1.297  -0.477  -5.086
  918    HA   LYS1033           HA       LYS1033  -3.090  -2.605  -5.453
  919   1HB   LYS1033          HB1       LYS1033  -1.674  -0.775  -7.362
  920   2HB   LYS1033          HB2       LYS1033  -2.689  -2.085  -7.951
  921   1HG   LYS1033          HG1       LYS1033  -4.599  -1.167  -6.749
  922   2HG   LYS1033          HG2       LYS1033  -3.586   0.137  -6.122
  923   1HD   LYS1033          HD1       LYS1033  -4.934   0.850  -8.059
  924   2HD   LYS1033          HD2       LYS1033  -3.202   0.958  -8.376
  925   1HE   LYS1033          HE1       LYS1033  -4.284   0.024 -10.306
  926   2HE   LYS1033          HE2       LYS1033  -3.321  -1.231  -9.529
  927   1HZ   LYS1033          HZ1       LYS1033  -5.396  -2.174 -10.119
  928   2HZ   LYS1033          HZ2       LYS1033  -5.414  -1.988  -8.438
  929   3HZ   LYS1033          HZ3       LYS1033  -6.270  -0.902  -9.417
  930    H    ASN1034           H        ASN1034   0.365  -2.341  -6.219
  931    HA   ASN1034           HA       ASN1034   0.440  -4.790  -7.653
  932   1HB   ASN1034          HB1       ASN1034   2.183  -2.966  -7.780
  933   2HB   ASN1034          HB2       ASN1034   2.764  -3.511  -6.209
  934   1HD2  ASN1034          2HD2      ASN1034   3.896  -5.425  -6.065
  935   2HD2  ASN1034          1HD2      ASN1034   4.451  -6.300  -7.446
  936    H    LEU1035           H        LEU1035   0.798  -3.950  -4.247
  937    HA   LEU1035           HA       LEU1035   1.799  -6.586  -3.550
  938   1HB   LEU1035          HB1       LEU1035   2.566  -4.715  -2.215
  939   2HB   LEU1035          HB2       LEU1035   0.906  -4.293  -1.797
  940    HG   LEU1035           HG       LEU1035   0.808  -6.680  -0.790
  941   1HD1  LEU1035          1HD1      LEU1035   2.949  -7.494   0.059
  942   2HD1  LEU1035          2HD1      LEU1035   2.889  -7.504  -1.704
  943   3HD1  LEU1035          3HD1      LEU1035   3.785  -6.242  -0.859
  944   1HD2  LEU1035          1HD2      LEU1035   0.658  -4.681   0.535
  945   2HD2  LEU1035          2HD2      LEU1035   1.699  -5.856   1.336
  946   3HD2  LEU1035          3HD2      LEU1035   2.408  -4.482   0.488
  947    H    LEU1036           H        LEU1036  -1.323  -5.027  -3.747
  948    HA   LEU1036           HA       LEU1036  -2.630  -6.963  -2.106
  949   1HB   LEU1036          HB1       LEU1036  -4.756  -6.052  -2.948
  950   2HB   LEU1036          HB2       LEU1036  -3.701  -4.831  -2.278
  951    HG   LEU1036           HG       LEU1036  -3.051  -4.353  -4.740
  952   1HD1  LEU1036          1HD1      LEU1036  -5.714  -5.700  -5.155
  953   2HD1  LEU1036          2HD1      LEU1036  -4.775  -4.837  -6.368
  954   3HD1  LEU1036          3HD1      LEU1036  -4.158  -6.340  -5.686
  955   1HD2  LEU1036          1HD2      LEU1036  -4.955  -2.815  -4.943
  956   2HD2  LEU1036          2HD2      LEU1036  -5.773  -3.671  -3.637
  957   3HD2  LEU1036          3HD2      LEU1036  -4.266  -2.810  -3.320
  958    H    ASP1037           H        ASP1037  -1.667  -6.750  -5.367
  959    HA   ASP1037           HA       ASP1037  -3.075  -9.129  -6.183
  960   1HB   ASP1037          HB1       ASP1037  -0.983  -7.376  -7.438
  961   2HB   ASP1037          HB2       ASP1037  -1.281  -8.982  -8.093
  962    H    VAL1038           H        VAL1038   0.237  -8.217  -5.356
  963    HA   VAL1038           HA       VAL1038   1.576 -10.629  -5.423
  964    HB   VAL1038           HB       VAL1038   1.761  -8.297  -3.518
  965   1HG1  VAL1038          1HG1      VAL1038   3.892  -9.172  -2.736
  966   2HG1  VAL1038          2HG1      VAL1038   2.572 -10.272  -2.341
  967   3HG1  VAL1038          3HG1      VAL1038   3.649 -10.636  -3.688
  968   1HG2  VAL1038          1HG2      VAL1038   3.824  -7.832  -4.783
  969   2HG2  VAL1038          2HG2      VAL1038   3.472  -9.210  -5.824
  970   3HG2  VAL1038          3HG2      VAL1038   2.385  -7.822  -5.804
  971    H    ILE1039           H        ILE1039  -0.040  -9.235  -2.647
  972    HA   ILE1039           HA       ILE1039   0.198 -11.508  -0.973
  973    HB   ILE1039           HB       ILE1039  -1.248  -8.886  -0.775
  974   1HG1  ILE1039          1HG1      ILE1039   1.084 -10.107   0.699
  975   2HG1  ILE1039          2HG1      ILE1039   1.132  -8.755  -0.431
  976   1HG2  ILE1039          1HG2      ILE1039  -1.296 -11.133   1.192
  977   2HG2  ILE1039          2HG2      ILE1039  -1.756  -9.469   1.562
  978   3HG2  ILE1039          3HG2      ILE1039  -2.664 -10.391   0.361
  979   1HD1  ILE1039          1HD1      ILE1039  -0.190  -7.410   1.101
  980   2HD1  ILE1039          2HD1      ILE1039  -0.274  -8.764   2.229
  981   3HD1  ILE1039          3HD1      ILE1039   1.281  -7.999   1.883
  982    H    ASP1040           H        ASP1040  -2.545 -10.112  -2.814
  983    HA   ASP1040           HA       ASP1040  -4.481 -12.003  -2.310
  984   1HB   ASP1040          HB1       ASP1040  -4.867 -10.200  -3.906
  985   2HB   ASP1040          HB2       ASP1040  -3.646 -10.841  -4.992
  986    H    GLN1041           H        GLN1041  -1.714 -12.218  -4.465
  987    HA   GLN1041           HA       GLN1041  -2.153 -14.950  -5.193
  988   1HB   GLN1041          HB1       GLN1041   0.354 -13.283  -5.377
  989   2HB   GLN1041          HB2       GLN1041   0.170 -14.904  -6.029
  990   1HG   GLN1041          HG1       GLN1041  -1.424 -14.169  -7.630
  991   2HG   GLN1041          HG2       GLN1041  -1.556 -12.586  -6.865
  992   1HE2  GLN1041          2HE2      GLN1041   1.475 -14.250  -7.339
  993   2HE2  GLN1041          1HE2      GLN1041   2.109 -13.169  -8.527
  994    H    ALA1042           H        ALA1042  -0.376 -13.269  -2.644
  995    HA   ALA1042           HA       ALA1042   1.221 -15.239  -1.677
  996   1HB   ALA1042          HB1       ALA1042   1.099 -12.961  -0.784
  997   2HB   ALA1042          HB2       ALA1042  -0.433 -13.365  -0.007
  998   3HB   ALA1042          HB3       ALA1042   1.051 -14.184   0.486
  999    H    ARG1043           H        ARG1043  -2.071 -14.615  -0.474
 1000    HA   ARG1043           HA       ARG1043  -2.278 -16.974   1.002
 1001   1HB   ARG1043          HB1       ARG1043  -3.899 -14.814   0.560
 1002   2HB   ARG1043          HB2       ARG1043  -4.799 -16.105  -0.224
 1003   1HG   ARG1043          HG1       ARG1043  -5.499 -15.800   2.091
 1004   2HG   ARG1043          HG2       ARG1043  -4.788 -17.394   1.838
 1005   1HD   ARG1043          HD1       ARG1043  -2.816 -16.816   2.972
 1006   2HD   ARG1043          HD2       ARG1043  -3.156 -15.089   2.860
 1007    HE   ARG1043           HE       ARG1043  -5.221 -16.233   4.331
 1008   1HH1  ARG1043          2HH1      ARG1043  -1.743 -15.920   4.699
 1009   2HH1  ARG1043          1HH1      ARG1043  -1.824 -15.762   6.427
 1010   1HH2  ARG1043          2HH2      ARG1043  -5.305 -15.976   6.602
 1011   2HH2  ARG1043          1HH2      ARG1043  -3.822 -15.790   7.496
 1012    H    LEU1044           H        LEU1044  -2.716 -16.407  -2.420
 1013    HA   LEU1044           HA       LEU1044  -3.763 -19.026  -2.973
 1014   1HB   LEU1044          HB1       LEU1044  -4.158 -17.053  -4.430
 1015   2HB   LEU1044          HB2       LEU1044  -2.458 -17.050  -4.846
 1016    HG   LEU1044           HG       LEU1044  -2.719 -19.278  -5.880
 1017   1HD1  LEU1044          1HD1      LEU1044  -5.645 -18.881  -5.275
 1018   2HD1  LEU1044          2HD1      LEU1044  -4.958 -20.173  -6.260
 1019   3HD1  LEU1044          3HD1      LEU1044  -4.587 -20.083  -4.539
 1020   1HD2  LEU1044          1HD2      LEU1044  -4.625 -17.171  -6.891
 1021   2HD2  LEU1044          2HD2      LEU1044  -2.901 -17.279  -7.249
 1022   3HD2  LEU1044          3HD2      LEU1044  -4.001 -18.529  -7.830
 1023    H    LYS1045           H        LYS1045  -0.619 -17.591  -2.638
 1024    HA   LYS1045           HA       LYS1045   1.007 -19.560  -3.838
 1025   1HB   LYS1045          HB1       LYS1045   1.497 -17.701  -1.496
 1026   2HB   LYS1045          HB2       LYS1045   2.738 -18.752  -2.158
 1027   1HG   LYS1045          HG1       LYS1045   1.323 -16.553  -3.633
 1028   2HG   LYS1045          HG2       LYS1045   2.942 -16.470  -2.937
 1029   1HD   LYS1045          HD1       LYS1045   3.764 -17.278  -4.841
 1030   2HD   LYS1045          HD2       LYS1045   2.879 -18.775  -4.555
 1031   1HE   LYS1045          HE1       LYS1045   1.745 -16.353  -5.947
 1032   2HE   LYS1045          HE2       LYS1045   2.438 -17.745  -6.775
 1033   1HZ   LYS1045          HZ1       LYS1045   0.736 -19.142  -5.787
 1034   2HZ   LYS1045          HZ2       LYS1045   0.082 -17.811  -4.969
 1035   3HZ   LYS1045          HZ3       LYS1045   0.027 -17.872  -6.662
 1036    H    MET1046           H        MET1046  -0.546 -19.218  -0.771
 1037    HA   MET1046           HA       MET1046   0.634 -21.439   0.524
 1038   1HB   MET1046          HB1       MET1046  -0.651 -19.655   1.671
 1039   2HB   MET1046          HB2       MET1046  -2.117 -20.278   0.932
 1040   1HG   MET1046          HG1       MET1046  -1.825 -22.392   2.101
 1041   2HG   MET1046          HG2       MET1046  -0.327 -21.786   2.812
 1042   1HE   MET1046          HE1       MET1046  -2.820 -21.908   5.861
 1043   2HE   MET1046          HE2       MET1046  -2.758 -23.032   4.504
 1044   3HE   MET1046          HE3       MET1046  -1.262 -22.452   5.237
 1045    H    ILE1047           H        ILE1047  -2.328 -21.070  -1.383
 1046    HA   ILE1047           HA       ILE1047  -3.111 -23.764  -1.474
 1047    HB   ILE1047           HB       ILE1047  -3.408 -21.671  -3.631
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.379 -20.969  -1.504
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.649 -21.325  -2.671
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.267 -23.042  -4.439
 1051   2HG2  ILE1047          2HG2      ILE1047  -3.743 -23.927  -4.491
 1052   3HG2  ILE1047          3HG2      ILE1047  -4.909 -24.254  -3.209
 1053   1HD1  ILE1047          1HD1      ILE1047  -6.011 -23.494  -1.604
 1054   2HD1  ILE1047          2HD1      ILE1047  -4.743 -23.126  -0.434
 1055   3HD1  ILE1047          3HD1      ILE1047  -6.219 -22.161  -0.468
 1056    H    SER1048           H        SER1048  -0.922 -21.876  -3.475
 1057    HA   SER1048           HA       SER1048  -0.299 -23.647  -5.493
 1058   1HB   SER1048          HB1       SER1048   1.473 -21.596  -4.131
 1059   2HB   SER1048          HB2       SER1048   1.824 -22.347  -5.692
 1060    HG   SER1048           HG       SER1048  -0.537 -21.471  -6.051
 1061    H    GLN1049           H        GLN1049   0.810 -23.670  -2.178
 1062    HA   GLN1049           HA       GLN1049   2.729 -25.790  -2.848
 1063   1HB   GLN1049          HB1       GLN1049   2.615 -23.844  -0.562
 1064   2HB   GLN1049          HB2       GLN1049   3.664 -25.257  -0.541
 1065   1HG   GLN1049          HG1       GLN1049   3.713 -23.137  -2.673
 1066   2HG   GLN1049          HG2       GLN1049   4.784 -23.171  -1.269
 1067   1HE2  GLN1049          2HE2      GLN1049   3.972 -24.677  -4.294
 1068   2HE2  GLN1049          1HE2      GLN1049   5.410 -25.634  -4.433
 1069    H    SER1050           H        SER1050  -0.105 -25.079  -0.949
 1070    HA   SER1050           HA       SER1050   0.132 -27.326   0.788
 1071   1HB   SER1050          HB1       SER1050  -1.187 -25.334   1.403
 1072   2HB   SER1050          HB2       SER1050  -2.317 -25.679   0.096
 1073    HG   SER1050           HG       SER1050  -2.238 -27.890   1.414
 1074    H    ARG1051           H        ARG1051  -0.971 -26.924  -2.456
 1075    HA   ARG1051           HA       ARG1051  -2.075 -29.650  -2.354
 1076   1HB   ARG1051          HB1       ARG1051  -3.793 -27.755  -2.583
 1077   2HB   ARG1051          HB2       ARG1051  -3.142 -27.527  -4.202
 1078   1HG   ARG1051          HG1       ARG1051  -5.120 -28.920  -4.270
 1079   2HG   ARG1051          HG2       ARG1051  -3.696 -29.853  -4.743
 1080   1HD   ARG1051          HD1       ARG1051  -3.548 -30.676  -2.397
 1081   2HD   ARG1051          HD2       ARG1051  -5.078 -29.870  -2.065
 1082    HE   ARG1051           HE       ARG1051  -5.110 -31.757  -4.271
 1083   1HH1  ARG1051          2HH1      ARG1051  -5.640 -31.202  -0.851
 1084   2HH1  ARG1051          1HH1      ARG1051  -6.656 -32.602  -0.648
 1085   1HH2  ARG1051          2HH2      ARG1051  -6.411 -33.620  -4.001
 1086   2HH2  ARG1051          1HH2      ARG1051  -7.096 -33.980  -2.444
 1087    HA   PRO1052           HA       PRO1052   1.046 -30.064  -5.629
 1088   1HB   PRO1052          HB1       PRO1052   0.480 -32.915  -5.242
 1089   2HB   PRO1052          HB2       PRO1052   2.009 -32.050  -5.076
 1090   1HG   PRO1052          HG1       PRO1052   0.685 -33.043  -2.947
 1091   2HG   PRO1052          HG2       PRO1052   1.638 -31.549  -2.857
 1092   1HD   PRO1052          HD1       PRO1052  -1.329 -31.897  -3.106
 1093   2HD   PRO1052          HD2       PRO1052  -0.407 -30.753  -2.106
 1094    H    HIS1053           H        HIS1053  -1.963 -31.893  -5.244
 1095    HA   HIS1053           HA       HIS1053  -2.641 -31.278  -8.008
 1096   1HB   HIS1053          HB1       HIS1053  -1.638 -33.554  -8.047
 1097   2HB   HIS1053          HB2       HIS1053  -2.847 -34.085  -6.883
 1098    HD1  HIS1053           HD1      HIS1053  -2.302 -33.512 -10.489
 1099    HD2  HIS1053           HD2      HIS1053  -5.524 -34.174  -7.938
 1100    HE1  HIS1053           HE1      HIS1053  -4.234 -34.103 -11.977
 1101    HE2  HIS1053           HE2      HIS1053  -6.218 -34.241 -10.433
  Start of MODEL   13
    1   1H    ARG 920           H        ARG 920  -7.708 -19.299  -2.983
    2    HA   ARG 920           HA       ARG 920  -7.735 -19.467  -0.218
    3   1HB   ARG 920          HB1       ARG 920  -6.511 -17.409  -0.106
    4   2HB   ARG 920          HB2       ARG 920  -5.836 -18.476  -1.327
    5   1HG   ARG 920          HG1       ARG 920  -7.723 -16.245  -1.986
    6   2HG   ARG 920          HG2       ARG 920  -5.997 -15.976  -1.782
    7   1HD   ARG 920          HD1       ARG 920  -5.589 -17.683  -3.537
    8   2HD   ARG 920          HD2       ARG 920  -7.336 -17.766  -3.785
    9    HE   ARG 920           HE       ARG 920  -6.168 -15.104  -3.974
   10   1HH1  ARG 920          2HH1      ARG 920  -7.168 -17.981  -5.722
   11   2HH1  ARG 920          1HH1      ARG 920  -7.314 -17.150  -7.245
   12   1HH2  ARG 920          2HH2      ARG 920  -6.358 -14.013  -5.960
   13   2HH2  ARG 920          1HH2      ARG 920  -6.855 -14.896  -7.376
   14    H    SER 921           H        SER 921  -9.679 -17.525  -2.298
   15    HA   SER 921           HA       SER 921 -11.428 -16.195  -1.962
   16   1HB   SER 921          HB1       SER 921 -11.244 -16.932   0.954
   17   2HB   SER 921          HB2       SER 921 -12.598 -16.103   0.190
   18    HG   SER 921           HG       SER 921 -13.340 -17.998  -0.253
   19    H    ASN 922           H        ASN 922  -8.604 -15.464  -1.645
   20    HA   ASN 922           HA       ASN 922  -7.275 -13.660  -1.183
   21   1HB   ASN 922          HB1       ASN 922  -9.443 -11.720  -1.432
   22   2HB   ASN 922          HB2       ASN 922  -7.948 -11.854  -2.340
   23   1HD2  ASN 922          2HD2      ASN 922  -7.830 -13.317  -4.066
   24   2HD2  ASN 922          1HD2      ASN 922  -9.266 -13.738  -4.961
   25    H    ASP 923           H        ASP 923  -7.737 -14.612   1.103
   26    HA   ASP 923           HA       ASP 923  -9.192 -13.439   3.071
   27   1HB   ASP 923          HB1       ASP 923  -6.417 -14.602   3.127
   28   2HB   ASP 923          HB2       ASP 923  -7.225 -14.064   4.592
   29    H    LYS 924           H        LYS 924  -7.888 -12.378   4.986
   30    HA   LYS 924           HA       LYS 924  -7.846  -9.735   4.922
   31   1HB   LYS 924          HB1       LYS 924  -6.984 -11.620   6.689
   32   2HB   LYS 924          HB2       LYS 924  -5.488 -10.764   6.351
   33   1HG   LYS 924          HG1       LYS 924  -8.014  -9.371   7.196
   34   2HG   LYS 924          HG2       LYS 924  -6.806  -9.963   8.336
   35   1HD   LYS 924          HD1       LYS 924  -5.113  -8.557   7.230
   36   2HD   LYS 924          HD2       LYS 924  -6.362  -7.937   6.146
   37   1HE   LYS 924          HE1       LYS 924  -5.914  -6.395   7.992
   38   2HE   LYS 924          HE2       LYS 924  -7.567  -7.004   8.038
   39   1HZ   LYS 924          HZ1       LYS 924  -5.341  -8.115   9.668
   40   2HZ   LYS 924          HZ2       LYS 924  -6.445  -6.963  10.233
   41   3HZ   LYS 924          HZ3       LYS 924  -6.986  -8.505   9.790
   42    H    VAL 925           H        VAL 925  -5.379 -11.649   3.422
   43    HA   VAL 925           HA       VAL 925  -3.409  -9.711   3.016
   44    HB   VAL 925           HB       VAL 925  -2.803 -11.143   0.989
   45   1HG1  VAL 925          1HG1      VAL 925  -1.747 -11.379   3.191
   46   2HG1  VAL 925          2HG1      VAL 925  -3.028 -12.486   3.684
   47   3HG1  VAL 925          3HG1      VAL 925  -1.924 -12.939   2.386
   48   1HG2  VAL 925          1HG2      VAL 925  -4.983 -12.098   0.533
   49   2HG2  VAL 925          2HG2      VAL 925  -3.844 -13.381   0.938
   50   3HG2  VAL 925          3HG2      VAL 925  -5.023 -12.841   2.132
   51    H    TYR 926           H        TYR 926  -6.158 -10.664   0.797
   52    HA   TYR 926           HA       TYR 926  -5.344  -8.524  -1.029
   53   1HB   TYR 926          HB1       TYR 926  -6.297 -10.481  -2.035
   54   2HB   TYR 926          HB2       TYR 926  -7.698 -10.435  -0.973
   55    HD1  TYR 926           HD1      TYR 926  -9.625  -9.254  -1.573
   56    HD2  TYR 926           HD2      TYR 926  -6.028  -8.632  -3.764
   57    HE1  TYR 926           HE1      TYR 926 -10.874  -7.954  -3.246
   58    HE2  TYR 926           HE2      TYR 926  -7.269  -7.329  -5.442
   59    HH   TYR 926           HH       TYR 926  -9.690  -7.204  -6.256
   60    H    GLU 927           H        GLU 927  -7.464  -9.082   1.623
   61    HA   GLU 927           HA       GLU 927  -9.337  -7.025   1.239
   62   1HB   GLU 927          HB1       GLU 927  -8.392  -8.437   3.731
   63   2HB   GLU 927          HB2       GLU 927  -9.746  -7.327   3.704
   64   1HG   GLU 927          HG1       GLU 927 -10.785  -8.817   1.957
   65   2HG   GLU 927          HG2       GLU 927  -9.506  -9.975   2.317
   66    H    ASN 928           H        ASN 928  -6.529  -7.107   3.467
   67    HA   ASN 928           HA       ASN 928  -6.974  -4.416   4.289
   68   1HB   ASN 928          HB1       ASN 928  -5.806  -6.325   5.571
   69   2HB   ASN 928          HB2       ASN 928  -4.375  -5.875   4.654
   70   1HD2  ASN 928          2HD2      ASN 928  -5.023  -3.005   4.682
   71   2HD2  ASN 928          1HD2      ASN 928  -4.710  -2.478   6.297
   72    H    VAL 929           H        VAL 929  -4.767  -5.914   1.955
   73    HA   VAL 929           HA       VAL 929  -3.319  -3.596   1.372
   74    HB   VAL 929           HB       VAL 929  -2.691  -5.847   0.568
   75   1HG1  VAL 929          1HG1      VAL 929  -4.902  -5.425  -1.427
   76   2HG1  VAL 929          2HG1      VAL 929  -3.709  -6.724  -1.467
   77   3HG1  VAL 929          3HG1      VAL 929  -4.866  -6.630  -0.140
   78   1HG2  VAL 929          1HG2      VAL 929  -1.673  -3.846  -0.376
   79   2HG2  VAL 929          2HG2      VAL 929  -1.825  -5.118  -1.588
   80   3HG2  VAL 929          3HG2      VAL 929  -2.950  -3.760  -1.590
   81    H    THR 930           H        THR 930  -6.463  -4.691   0.113
   82    HA   THR 930           HA       THR 930  -6.846  -2.460  -1.594
   83    HB   THR 930           HB       THR 930  -8.968  -4.076  -0.150
   84    HG1  THR 930           HG1      THR 930  -7.925  -5.528  -1.414
   85   1HG2  THR 930          1HG2      THR 930 -10.430  -3.356  -1.996
   86   2HG2  THR 930          2HG2      THR 930  -9.835  -1.983  -1.063
   87   3HG2  THR 930          3HG2      THR 930  -9.123  -2.357  -2.632
   88    H    GLY 931           H        GLY 931  -7.463  -3.096   1.800
   89   1HA   GLY 931          HA1       GLY 931  -8.631  -0.681   2.567
   90   2HA   GLY 931          HA2       GLY 931  -7.604  -1.670   3.596
   91    H    LEU 932           H        LEU 932  -5.274  -1.394   1.778
   92    HA   LEU 932           HA       LEU 932  -4.116   0.976   2.783
   93   1HB   LEU 932          HB1       LEU 932  -3.002  -1.162   1.844
   94   2HB   LEU 932          HB2       LEU 932  -3.239  -0.440   0.268
   95    HG   LEU 932           HG       LEU 932  -1.654   0.894   2.466
   96   1HD1  LEU 932          1HD1      LEU 932  -0.620  -1.239   1.929
   97   2HD1  LEU 932          2HD1      LEU 932  -0.678  -0.852   0.209
   98   3HD1  LEU 932          3HD1      LEU 932   0.342   0.094   1.293
   99   1HD2  LEU 932          1HD2      LEU 932  -0.702   2.190   0.621
  100   2HD2  LEU 932          2HD2      LEU 932  -1.747   1.343  -0.518
  101   3HD2  LEU 932          3HD2      LEU 932  -2.452   2.397   0.707
  102    H    VAL 933           H        VAL 933  -5.575   0.116  -0.311
  103    HA   VAL 933           HA       VAL 933  -5.297   2.615  -1.581
  104    HB   VAL 933           HB       VAL 933  -7.495   0.579  -2.006
  105   1HG1  VAL 933          1HG1      VAL 933  -6.377   2.684  -3.853
  106   2HG1  VAL 933          2HG1      VAL 933  -7.620   1.500  -4.261
  107   3HG1  VAL 933          3HG1      VAL 933  -7.947   2.740  -3.049
  108   1HG2  VAL 933          1HG2      VAL 933  -6.072  -0.368  -3.747
  109   2HG2  VAL 933          2HG2      VAL 933  -4.792   0.771  -3.329
  110   3HG2  VAL 933          3HG2      VAL 933  -5.290  -0.460  -2.169
  111    H    LYS 934           H        LYS 934  -7.798   1.276   0.508
  112    HA   LYS 934           HA       LYS 934  -9.628   3.401   0.326
  113   1HB   LYS 934          HB1       LYS 934  -9.198   1.659   2.752
  114   2HB   LYS 934          HB2       LYS 934 -10.664   2.514   2.305
  115   1HG   LYS 934          HG1       LYS 934  -9.474   0.228   0.746
  116   2HG   LYS 934          HG2       LYS 934 -10.769   0.074   1.925
  117   1HD   LYS 934          HD1       LYS 934 -11.929   0.151  -0.074
  118   2HD   LYS 934          HD2       LYS 934 -11.983   1.832   0.451
  119   1HE   LYS 934          HE1       LYS 934 -10.214   2.423  -1.051
  120   2HE   LYS 934          HE2       LYS 934  -9.934   0.733  -1.469
  121   1HZ   LYS 934          HZ1       LYS 934 -11.249   2.074  -3.115
  122   2HZ   LYS 934          HZ2       LYS 934 -11.976   0.625  -2.620
  123   3HZ   LYS 934          HZ3       LYS 934 -12.515   2.106  -1.985
  124    H    ALA 935           H        ALA 935  -6.788   2.888   2.306
  125    HA   ALA 935           HA       ALA 935  -7.252   5.146   3.997
  126   1HB   ALA 935          HB1       ALA 935  -5.006   4.729   4.841
  127   2HB   ALA 935          HB2       ALA 935  -5.957   3.244   4.773
  128   3HB   ALA 935          HB3       ALA 935  -4.733   3.565   3.546
  129    H    VAL 936           H        VAL 936  -5.623   4.655   0.922
  130    HA   VAL 936           HA       VAL 936  -4.559   7.330   1.026
  131    HB   VAL 936           HB       VAL 936  -3.323   5.606  -0.210
  132   1HG1  VAL 936          1HG1      VAL 936  -5.197   4.366  -1.157
  133   2HG1  VAL 936          2HG1      VAL 936  -5.590   5.735  -2.197
  134   3HG1  VAL 936          3HG1      VAL 936  -4.067   4.870  -2.412
  135   1HG2  VAL 936          1HG2      VAL 936  -4.256   7.901  -1.922
  136   2HG2  VAL 936          2HG2      VAL 936  -2.956   7.945  -0.729
  137   3HG2  VAL 936          3HG2      VAL 936  -2.793   6.951  -2.178
  138    H    ILE 937           H        ILE 937  -7.507   5.847   0.203
  139    HA   ILE 937           HA       ILE 937  -8.608   8.029  -1.255
  140    HB   ILE 937           HB       ILE 937  -9.968   5.970   0.499
  141   1HG1  ILE 937          1HG1      ILE 937  -8.917   5.008  -1.475
  142   2HG1  ILE 937          2HG1      ILE 937 -10.668   4.987  -1.658
  143   1HG2  ILE 937          1HG2      ILE 937 -11.353   7.952   0.397
  144   2HG2  ILE 937          2HG2      ILE 937 -11.206   7.997  -1.360
  145   3HG2  ILE 937          3HG2      ILE 937 -12.068   6.670  -0.581
  146   1HD1  ILE 937          1HD1      ILE 937 -10.562   6.913  -3.121
  147   2HD1  ILE 937          2HD1      ILE 937  -8.816   7.013  -2.892
  148   3HD1  ILE 937          3HD1      ILE 937  -9.519   5.625  -3.721
  149    H    GLU 938           H        GLU 938  -8.297   7.193   2.153
  150    HA   GLU 938           HA       GLU 938  -9.460   9.391   3.363
  151   1HB   GLU 938          HB1       GLU 938  -6.915   7.936   4.125
  152   2HB   GLU 938          HB2       GLU 938  -7.718   9.119   5.155
  153   1HG   GLU 938          HG1       GLU 938  -9.721   7.761   5.238
  154   2HG   GLU 938          HG2       GLU 938  -9.010   6.597   4.126
  155    H    MET 939           H        MET 939  -6.222   9.098   1.982
  156    HA   MET 939           HA       MET 939  -5.281  11.670   2.531
  157   1HB   MET 939          HB1       MET 939  -3.877   9.847   1.620
  158   2HB   MET 939          HB2       MET 939  -4.726   9.974   0.084
  159   1HG   MET 939          HG1       MET 939  -3.947  12.401   0.054
  160   2HG   MET 939          HG2       MET 939  -2.850  11.935   1.352
  161   1HE   MET 939          HE1       MET 939  -4.054   9.992  -1.897
  162   2HE   MET 939          HE2       MET 939  -3.771  11.660  -2.393
  163   3HE   MET 939          HE3       MET 939  -2.715  10.372  -2.978
  164    H    SER 940           H        SER 940  -7.192  10.443  -0.175
  165    HA   SER 940           HA       SER 940  -7.202  12.827  -1.689
  166   1HB   SER 940          HB1       SER 940  -9.264  10.611  -1.698
  167   2HB   SER 940          HB2       SER 940  -8.954  11.770  -2.993
  168    HG   SER 940           HG       SER 940  -6.792  10.251  -2.106
  169    H    SER 941           H        SER 941  -9.268  11.636   0.898
  170    HA   SER 941           HA       SER 941 -11.303  13.638   0.448
  171   1HB   SER 941          HB1       SER 941 -10.900  11.867   2.876
  172   2HB   SER 941          HB2       SER 941 -12.384  12.690   2.394
  173    HG   SER 941           HG       SER 941 -11.078  10.558   1.039
  174    H    LYS 942           H        LYS 942  -8.729  12.939   2.677
  175    HA   LYS 942           HA       LYS 942  -8.805  14.999   4.470
  176   1HB   LYS 942          HB1       LYS 942  -6.815  13.174   3.377
  177   2HB   LYS 942          HB2       LYS 942  -6.116  14.703   3.884
  178   1HG   LYS 942          HG1       LYS 942  -7.904  13.112   5.688
  179   2HG   LYS 942          HG2       LYS 942  -6.166  12.811   5.578
  180   1HD   LYS 942          HD1       LYS 942  -5.765  15.192   6.107
  181   2HD   LYS 942          HD2       LYS 942  -7.506  15.397   6.325
  182   1HE   LYS 942          HE1       LYS 942  -5.684  13.594   7.926
  183   2HE   LYS 942          HE2       LYS 942  -6.425  15.094   8.482
  184   1HZ   LYS 942          HZ1       LYS 942  -7.681  13.277   9.329
  185   2HZ   LYS 942          HZ2       LYS 942  -8.614  14.013   8.118
  186   3HZ   LYS 942          HZ3       LYS 942  -7.809  12.557   7.799
  187    H    ILE 943           H        ILE 943  -7.014  14.985   1.380
  188    HA   ILE 943           HA       ILE 943  -6.016  17.585   1.695
  189    HB   ILE 943           HB       ILE 943  -4.974  15.988   0.169
  190   1HG1  ILE 943          1HG1      ILE 943  -5.975  18.452  -1.276
  191   2HG1  ILE 943          2HG1      ILE 943  -4.592  18.392  -0.192
  192   1HG2  ILE 943          1HG2      ILE 943  -5.961  15.515  -2.033
  193   2HG2  ILE 943          2HG2      ILE 943  -6.925  14.870  -0.704
  194   3HG2  ILE 943          3HG2      ILE 943  -7.432  16.344  -1.530
  195   1HD1  ILE 943          1HD1      ILE 943  -3.868  18.395  -2.496
  196   2HD1  ILE 943          2HD1      ILE 943  -3.467  16.854  -1.736
  197   3HD1  ILE 943          3HD1      ILE 943  -4.846  16.966  -2.828
  198    H    GLN 944           H        GLN 944  -9.066  16.443   0.385
  199    HA   GLN 944           HA       GLN 944  -9.802  18.544  -1.230
  200   1HB   GLN 944          HB1       GLN 944 -11.504  16.853   0.586
  201   2HB   GLN 944          HB2       GLN 944 -12.181  18.023  -0.537
  202   1HG   GLN 944          HG1       GLN 944 -11.196  16.847  -2.407
  203   2HG   GLN 944          HG2       GLN 944 -10.434  15.699  -1.304
  204   1HE2  GLN 944          2HE2      GLN 944 -11.491  13.959  -2.248
  205   2HE2  GLN 944          1HE2      GLN 944 -13.180  13.668  -1.998
  206    HA   PRO 945           HA       PRO 945 -11.209  21.340   2.225
  207   1HB   PRO 945          HB1       PRO 945 -11.625  20.382   4.772
  208   2HB   PRO 945          HB2       PRO 945 -12.844  20.427   3.499
  209   1HG   PRO 945          HG1       PRO 945 -11.599  18.131   4.692
  210   2HG   PRO 945          HG2       PRO 945 -12.865  18.176   3.456
  211   1HD   PRO 945          HD1       PRO 945  -9.964  17.763   3.159
  212   2HD   PRO 945          HD2       PRO 945 -11.284  17.339   2.051
  213    H    ALA 946           H        ALA 946  -8.444  19.558   2.608
  214    HA   ALA 946           HA       ALA 946  -7.550  20.766   5.095
  215   1HB   ALA 946          HB1       ALA 946  -7.128  18.400   4.696
  216   2HB   ALA 946          HB2       ALA 946  -6.139  18.816   3.296
  217   3HB   ALA 946          HB3       ALA 946  -5.631  19.305   4.911
  218    HA   PRO 947           HA       PRO 947  -4.571  23.525   3.128
  219   1HB   PRO 947          HB1       PRO 947  -3.399  23.993   5.691
  220   2HB   PRO 947          HB2       PRO 947  -4.524  25.039   4.825
  221   1HG   PRO 947          HG1       PRO 947  -5.070  23.718   7.201
  222   2HG   PRO 947          HG2       PRO 947  -6.284  24.363   6.084
  223   1HD   PRO 947          HD1       PRO 947  -5.301  21.564   6.406
  224   2HD   PRO 947          HD2       PRO 947  -6.937  22.154   6.046
  225    HA   PRO 948           HA       PRO 948  -0.720  21.232   2.873
  226   1HB   PRO 948          HB1       PRO 948   1.127  22.974   4.057
  227   2HB   PRO 948          HB2       PRO 948   0.688  22.931   2.348
  228   1HG   PRO 948          HG1       PRO 948  -0.315  24.711   4.524
  229   2HG   PRO 948          HG2       PRO 948   0.011  25.089   2.822
  230   1HD   PRO 948          HD1       PRO 948  -2.487  24.773   3.698
  231   2HD   PRO 948          HD2       PRO 948  -2.000  24.150   2.106
  232    H    GLU 949           H        GLU 949  -1.398  22.778   5.931
  233    HA   GLU 949           HA       GLU 949   0.293  21.350   7.608
  234   1HB   GLU 949          HB1       GLU 949  -2.455  22.468   8.139
  235   2HB   GLU 949          HB2       GLU 949  -1.341  21.921   9.387
  236   1HG   GLU 949          HG1       GLU 949   0.274  23.618   8.680
  237   2HG   GLU 949          HG2       GLU 949  -0.854  24.164   7.439
  238    H    GLU 950           H        GLU 950  -2.840  20.458   6.230
  239    HA   GLU 950           HA       GLU 950  -2.702  17.874   7.613
  240   1HB   GLU 950          HB1       GLU 950  -4.901  19.272   6.148
  241   2HB   GLU 950          HB2       GLU 950  -4.930  17.521   6.328
  242   1HG   GLU 950          HG1       GLU 950  -6.252  18.598   8.052
  243   2HG   GLU 950          HG2       GLU 950  -4.876  17.749   8.749
  244    H    TYR 951           H        TYR 951  -1.514  19.176   4.848
  245    HA   TYR 951           HA       TYR 951  -2.042  17.113   2.985
  246   1HB   TYR 951          HB1       TYR 951   0.162  19.152   3.187
  247   2HB   TYR 951          HB2       TYR 951   0.190  17.900   1.951
  248    HD1  TYR 951           HD1      TYR 951   0.287  20.198   0.630
  249    HD2  TYR 951           HD2      TYR 951  -3.163  18.676   2.596
  250    HE1  TYR 951           HE1      TYR 951  -1.137  21.588  -0.809
  251    HE2  TYR 951           HE2      TYR 951  -4.599  20.061   1.163
  252    HH   TYR 951           HH       TYR 951  -4.376  22.182  -0.151
  253    H    VAL 952           H        VAL 952   0.469  17.572   5.446
  254    HA   VAL 952           HA       VAL 952   1.565  14.990   4.809
  255    HB   VAL 952           HB       VAL 952   3.263  16.271   5.626
  256   1HG1  VAL 952          1HG1      VAL 952   3.171  17.662   7.663
  257   2HG1  VAL 952          2HG1      VAL 952   1.998  18.160   6.446
  258   3HG1  VAL 952          3HG1      VAL 952   1.469  17.238   7.855
  259   1HG2  VAL 952          1HG2      VAL 952   3.953  15.377   7.799
  260   2HG2  VAL 952          2HG2      VAL 952   2.315  14.786   8.077
  261   3HG2  VAL 952          3HG2      VAL 952   3.281  14.121   6.759
  262    HA   PRO 953           HA       PRO 953  -1.034  13.620   8.810
  263   1HB   PRO 953          HB1       PRO 953  -3.249  15.498   8.146
  264   2HB   PRO 953          HB2       PRO 953  -2.811  14.788   9.710
  265   1HG   PRO 953          HG1       PRO 953  -2.144  17.286   9.194
  266   2HG   PRO 953          HG2       PRO 953  -0.972  16.205   9.977
  267   1HD   PRO 953          HD1       PRO 953  -1.090  17.137   7.138
  268   2HD   PRO 953          HD2       PRO 953   0.320  16.875   8.180
  269    H    MET 954           H        MET 954  -2.256  14.743   5.667
  270    HA   MET 954           HA       MET 954  -4.188  12.655   5.522
  271   1HB   MET 954          HB1       MET 954  -4.666  13.353   3.338
  272   2HB   MET 954          HB2       MET 954  -4.202  14.826   4.172
  273   1HG   MET 954          HG1       MET 954  -2.027  14.760   3.147
  274   2HG   MET 954          HG2       MET 954  -2.409  13.220   2.376
  275   1HE   MET 954          HE1       MET 954  -2.017  13.841  -0.077
  276   2HE   MET 954          HE2       MET 954  -2.489  15.383  -0.793
  277   3HE   MET 954          HE3       MET 954  -1.305  15.342   0.514
  278    H    VAL 955           H        VAL 955  -0.899  13.074   4.257
  279    HA   VAL 955           HA       VAL 955  -0.670  10.506   3.217
  280    HB   VAL 955           HB       VAL 955   1.034  12.570   3.223
  281   1HG1  VAL 955          1HG1      VAL 955   3.055  12.015   4.471
  282   2HG1  VAL 955          2HG1      VAL 955   1.698  12.347   5.548
  283   3HG1  VAL 955          3HG1      VAL 955   2.205  10.684   5.257
  284   1HG2  VAL 955          1HG2      VAL 955   1.015  10.675   1.707
  285   2HG2  VAL 955          2HG2      VAL 955   2.657  11.043   2.237
  286   3HG2  VAL 955          3HG2      VAL 955   1.790   9.674   2.935
  287    H    LYS 956           H        LYS 956  -0.615  11.625   6.502
  288    HA   LYS 956           HA       LYS 956   0.520   9.393   7.776
  289   1HB   LYS 956          HB1       LYS 956  -0.047  11.349   9.066
  290   2HB   LYS 956          HB2       LYS 956  -1.742  11.206   8.615
  291   1HG   LYS 956          HG1       LYS 956  -1.596   8.907   9.809
  292   2HG   LYS 956          HG2       LYS 956  -0.175   9.615  10.586
  293   1HD   LYS 956          HD1       LYS 956  -1.484  11.453  11.416
  294   2HD   LYS 956          HD2       LYS 956  -2.895  10.908  10.511
  295   1HE   LYS 956          HE1       LYS 956  -2.813   8.790  11.850
  296   2HE   LYS 956          HE2       LYS 956  -1.576   9.551  12.850
  297   1HZ   LYS 956          HZ1       LYS 956  -3.684   9.840  13.891
  298   2HZ   LYS 956          HZ2       LYS 956  -3.196  11.350  13.299
  299   3HZ   LYS 956          HZ3       LYS 956  -4.376  10.459  12.471
  300    H    GLU 957           H        GLU 957  -2.735  10.026   6.643
  301    HA   GLU 957           HA       GLU 957  -4.019   7.717   7.431
  302   1HB   GLU 957          HB1       GLU 957  -4.494   8.986   4.737
  303   2HB   GLU 957          HB2       GLU 957  -5.661   8.184   5.776
  304   1HG   GLU 957          HG1       GLU 957  -4.302  10.783   6.454
  305   2HG   GLU 957          HG2       GLU 957  -5.875  10.659   5.675
  306    H    VAL 958           H        VAL 958  -2.177   8.262   4.394
  307    HA   VAL 958           HA       VAL 958  -2.403   5.535   3.575
  308    HB   VAL 958           HB       VAL 958  -1.054   6.009   1.746
  309   1HG1  VAL 958          1HG1      VAL 958  -1.759   8.153   0.887
  310   2HG1  VAL 958          2HG1      VAL 958  -3.067   7.412   1.805
  311   3HG1  VAL 958          3HG1      VAL 958  -2.130   8.717   2.517
  312   1HG2  VAL 958          1HG2      VAL 958   0.952   6.696   2.932
  313   2HG2  VAL 958          2HG2      VAL 958   0.586   7.821   1.625
  314   3HG2  VAL 958          3HG2      VAL 958   0.224   8.261   3.294
  315    H    GLY 959           H        GLY 959  -0.279   7.189   5.754
  316   1HA   GLY 959          HA1       GLY 959   1.861   5.310   5.693
  317   2HA   GLY 959          HA2       GLY 959   1.513   6.436   6.997
  318    H    LEU 960           H        LEU 960  -0.916   5.708   7.854
  319    HA   LEU 960           HA       LEU 960  -0.610   3.298   9.245
  320   1HB   LEU 960          HB1       LEU 960  -2.925   5.098   8.698
  321   2HB   LEU 960          HB2       LEU 960  -3.242   3.514   9.378
  322    HG   LEU 960           HG       LEU 960  -3.139   5.139  11.152
  323   1HD1  LEU 960          1HD1      LEU 960  -0.671   3.412  11.118
  324   2HD1  LEU 960          2HD1      LEU 960  -1.402   4.146  12.546
  325   3HD1  LEU 960          3HD1      LEU 960  -2.284   2.921  11.635
  326   1HD2  LEU 960          1HD2      LEU 960  -1.137   6.426  11.636
  327   2HD2  LEU 960          2HD2      LEU 960  -0.352   5.776  10.197
  328   3HD2  LEU 960          3HD2      LEU 960  -1.763   6.822  10.036
  329    H    ALA 961           H        ALA 961  -1.744   3.931   6.064
  330    HA   ALA 961           HA       ALA 961  -3.270   1.633   5.584
  331   1HB   ALA 961          HB1       ALA 961  -3.216   3.526   4.046
  332   2HB   ALA 961          HB2       ALA 961  -1.545   3.144   3.627
  333   3HB   ALA 961          HB3       ALA 961  -2.839   2.016   3.217
  334    H    LEU 962           H        LEU 962   0.186   2.164   4.673
  335    HA   LEU 962           HA       LEU 962   0.573  -0.586   4.115
  336   1HB   LEU 962          HB1       LEU 962   2.035   0.862   3.038
  337   2HB   LEU 962          HB2       LEU 962   2.441   1.713   4.519
  338    HG   LEU 962           HG       LEU 962   3.647  -0.355   5.286
  339   1HD1  LEU 962          1HD1      LEU 962   3.223  -1.219   2.433
  340   2HD1  LEU 962          2HD1      LEU 962   4.242  -2.027   3.624
  341   3HD1  LEU 962          3HD1      LEU 962   2.494  -1.964   3.854
  342   1HD2  LEU 962          1HD2      LEU 962   4.840   1.548   4.337
  343   2HD2  LEU 962          2HD2      LEU 962   5.603   0.026   3.875
  344   3HD2  LEU 962          3HD2      LEU 962   4.600   0.898   2.715
  345    H    ARG 963           H        ARG 963   1.132   1.298   7.099
  346    HA   ARG 963           HA       ARG 963   2.422  -0.693   8.544
  347   1HB   ARG 963          HB1       ARG 963   0.491   1.419   9.477
  348   2HB   ARG 963          HB2       ARG 963   1.420   0.400  10.567
  349   1HG   ARG 963          HG1       ARG 963   3.495   1.252   9.457
  350   2HG   ARG 963          HG2       ARG 963   2.475   2.410   8.598
  351   1HD   ARG 963          HD1       ARG 963   3.483   3.393  10.605
  352   2HD   ARG 963          HD2       ARG 963   1.723   3.343  10.708
  353    HE   ARG 963           HE       ARG 963   2.902   1.031  11.881
  354   1HH1  ARG 963          2HH1      ARG 963   2.285   4.426  12.458
  355   2HH1  ARG 963          1HH1      ARG 963   2.182   4.257  14.182
  356   1HH2  ARG 963          2HH2      ARG 963   2.780   0.790  14.145
  357   2HH2  ARG 963          1HH2      ARG 963   2.502   2.184  15.148
  358    H    THR 964           H        THR 964  -1.099  -0.053   8.627
  359    HA   THR 964           HA       THR 964  -1.845  -2.385   9.955
  360    HB   THR 964           HB       THR 964  -3.467  -1.076   7.760
  361    HG1  THR 964           HG1      THR 964  -3.123   0.626   9.030
  362   1HG2  THR 964          1HG2      THR 964  -5.378  -1.783   9.115
  363   2HG2  THR 964          2HG2      THR 964  -4.389  -3.170   8.655
  364   3HG2  THR 964          3HG2      THR 964  -4.284  -2.514  10.288
  365    H    LEU 965           H        LEU 965  -1.135  -1.824   6.577
  366    HA   LEU 965           HA       LEU 965  -1.840  -4.343   5.538
  367   1HB   LEU 965          HB1       LEU 965  -1.456  -2.372   4.164
  368   2HB   LEU 965          HB2       LEU 965   0.223  -2.328   4.654
  369    HG   LEU 965           HG       LEU 965  -0.309  -3.186   2.323
  370   1HD1  LEU 965          1HD1      LEU 965   1.867  -3.445   3.376
  371   2HD1  LEU 965          2HD1      LEU 965   1.322  -4.925   4.166
  372   3HD1  LEU 965          3HD1      LEU 965   1.457  -4.860   2.408
  373   1HD2  LEU 965          1HD2      LEU 965  -1.168  -5.602   3.908
  374   2HD2  LEU 965          2HD2      LEU 965  -2.193  -4.603   2.878
  375   3HD2  LEU 965          3HD2      LEU 965  -0.898  -5.565   2.165
  376    H    LEU 966           H        LEU 966   0.854  -3.224   7.346
  377    HA   LEU 966           HA       LEU 966   2.717  -5.288   6.698
  378   1HB   LEU 966          HB1       LEU 966   2.843  -2.939   8.137
  379   2HB   LEU 966          HB2       LEU 966   2.992  -4.158   9.386
  380    HG   LEU 966           HG       LEU 966   5.182  -3.405   8.617
  381   1HD1  LEU 966          1HD1      LEU 966   4.981  -5.699   9.399
  382   2HD1  LEU 966          2HD1      LEU 966   4.589  -6.234   7.766
  383   3HD1  LEU 966          3HD1      LEU 966   6.186  -5.570   8.118
  384   1HD2  LEU 966          1HD2      LEU 966   4.352  -4.470   5.922
  385   2HD2  LEU 966          2HD2      LEU 966   4.576  -2.772   6.342
  386   3HD2  LEU 966          3HD2      LEU 966   5.955  -3.871   6.351
  387    H    ALA 967           H        ALA 967   0.111  -4.976   9.011
  388    HA   ALA 967           HA       ALA 967   0.617  -7.347  10.480
  389   1HB   ALA 967          HB1       ALA 967  -2.043  -6.072   9.842
  390   2HB   ALA 967          HB2       ALA 967  -1.732  -7.251  11.117
  391   3HB   ALA 967          HB3       ALA 967  -1.002  -5.649  11.202
  392    H    THR 968           H        THR 968  -1.283  -6.704   7.564
  393    HA   THR 968           HA       THR 968  -2.043  -9.338   6.958
  394    HB   THR 968           HB       THR 968  -1.530  -6.918   5.255
  395    HG1  THR 968           HG1      THR 968  -3.956  -8.171   5.151
  396   1HG2  THR 968          1HG2      THR 968  -2.396  -8.129   3.312
  397   2HG2  THR 968          2HG2      THR 968  -0.886  -8.836   3.881
  398   3HG2  THR 968          3HG2      THR 968  -2.420  -9.622   4.250
  399    H    VAL 969           H        VAL 969   0.874  -7.533   6.142
  400    HA   VAL 969           HA       VAL 969   2.258  -9.411   4.701
  401    HB   VAL 969           HB       VAL 969   3.368  -7.475   6.743
  402   1HG1  VAL 969          1HG1      VAL 969   4.981  -9.270   6.345
  403   2HG1  VAL 969          2HG1      VAL 969   4.848  -9.006   4.606
  404   3HG1  VAL 969          3HG1      VAL 969   5.530  -7.749   5.637
  405   1HG2  VAL 969          1HG2      VAL 969   3.156  -7.323   3.739
  406   2HG2  VAL 969          2HG2      VAL 969   2.174  -6.424   4.898
  407   3HG2  VAL 969          3HG2      VAL 969   3.907  -6.117   4.784
  408    H    ASP 970           H        ASP 970   1.635  -9.423   8.158
  409    HA   ASP 970           HA       ASP 970   3.533 -11.498   8.732
  410   1HB   ASP 970          HB1       ASP 970   2.953 -10.008  10.517
  411   2HB   ASP 970          HB2       ASP 970   1.239 -10.343  10.314
  412    H    GLU 971           H        GLU 971   0.251 -11.447   7.707
  413    HA   GLU 971           HA       GLU 971  -0.200 -14.267   8.078
  414   1HB   GLU 971          HB1       GLU 971  -1.414 -12.295   6.128
  415   2HB   GLU 971          HB2       GLU 971  -1.974 -13.950   6.337
  416   1HG   GLU 971          HG1       GLU 971  -1.823 -12.038   8.627
  417   2HG   GLU 971          HG2       GLU 971  -3.229 -12.098   7.550
  418    H    SER 972           H        SER 972   0.715 -12.261   5.360
  419    HA   SER 972           HA       SER 972   1.264 -14.340   3.552
  420   1HB   SER 972          HB1       SER 972   0.760 -12.023   2.879
  421   2HB   SER 972          HB2       SER 972   2.310 -11.501   3.563
  422    HG   SER 972           HG       SER 972   3.256 -13.102   2.059
  423    H    LEU 973           H        LEU 973   3.100 -13.006   6.155
  424    HA   LEU 973           HA       LEU 973   5.690 -13.508   5.182
  425   1HB   LEU 973          HB1       LEU 973   5.120 -12.029   7.117
  426   2HB   LEU 973          HB2       LEU 973   4.839 -13.467   8.080
  427    HG   LEU 973           HG       LEU 973   7.209 -14.125   7.728
  428   1HD1  LEU 973          1HD1      LEU 973   7.591 -12.950   5.621
  429   2HD1  LEU 973          2HD1      LEU 973   7.429 -11.401   6.450
  430   3HD1  LEU 973          3HD1      LEU 973   8.775 -12.473   6.838
  431   1HD2  LEU 973          1HD2      LEU 973   6.535 -12.921   9.742
  432   2HD2  LEU 973          2HD2      LEU 973   8.160 -12.452   9.239
  433   3HD2  LEU 973          3HD2      LEU 973   6.793 -11.384   8.917
  434    HA   PRO 974           HA       PRO 974   5.493 -17.883   7.349
  435   1HB   PRO 974          HB1       PRO 974   2.541 -18.258   7.287
  436   2HB   PRO 974          HB2       PRO 974   3.723 -18.843   8.464
  437   1HG   PRO 974          HG1       PRO 974   2.120 -16.808   9.061
  438   2HG   PRO 974          HG2       PRO 974   3.820 -16.807   9.578
  439   1HD   PRO 974          HD1       PRO 974   2.519 -15.348   7.311
  440   2HD   PRO 974          HD2       PRO 974   3.767 -14.789   8.441
  441    H    VAL 975           H        VAL 975   3.178 -16.552   5.075
  442    HA   VAL 975           HA       VAL 975   3.288 -18.818   3.280
  443    HB   VAL 975           HB       VAL 975   2.483 -15.987   2.617
  444   1HG1  VAL 975          1HG1      VAL 975   1.884 -18.624   1.286
  445   2HG1  VAL 975          2HG1      VAL 975   1.206 -17.065   0.819
  446   3HG1  VAL 975          3HG1      VAL 975   2.939 -17.355   0.665
  447   1HG2  VAL 975          1HG2      VAL 975   1.158 -16.827   4.484
  448   2HG2  VAL 975          2HG2      VAL 975   0.183 -16.737   3.018
  449   3HG2  VAL 975          3HG2      VAL 975   0.791 -18.294   3.577
  450    H    LEU 976           H        LEU 976   5.371 -16.187   3.933
  451    HA   LEU 976           HA       LEU 976   6.705 -16.019   1.469
  452   1HB   LEU 976          HB1       LEU 976   7.137 -14.224   2.814
  453   2HB   LEU 976          HB2       LEU 976   7.395 -15.199   4.250
  454    HG   LEU 976           HG       LEU 976   9.430 -15.590   2.167
  455   1HD1  LEU 976          1HD1      LEU 976   8.948 -13.211   1.811
  456   2HD1  LEU 976          2HD1      LEU 976   9.178 -12.912   3.535
  457   3HD1  LEU 976          3HD1      LEU 976  10.533 -13.452   2.545
  458   1HD2  LEU 976          1HD2      LEU 976  10.919 -15.298   4.107
  459   2HD2  LEU 976          2HD2      LEU 976   9.525 -14.876   5.100
  460   3HD2  LEU 976          3HD2      LEU 976   9.661 -16.496   4.415
  461    HA   PRO 977           HA       PRO 977   9.847 -19.369   3.011
  462   1HB   PRO 977          HB1       PRO 977   8.270 -20.792   5.072
  463   2HB   PRO 977          HB2       PRO 977   9.989 -20.382   5.058
  464   1HG   PRO 977          HG1       PRO 977   8.272 -19.102   6.653
  465   2HG   PRO 977          HG2       PRO 977   9.626 -18.257   5.878
  466   1HD   PRO 977          HD1       PRO 977   6.730 -18.286   5.125
  467   2HD   PRO 977          HD2       PRO 977   7.876 -16.931   5.131
  468    H    ALA 978           H        ALA 978   6.384 -19.696   3.128
  469    HA   ALA 978           HA       ALA 978   6.189 -22.263   1.973
  470   1HB   ALA 978          HB1       ALA 978   4.353 -21.212   3.181
  471   2HB   ALA 978          HB2       ALA 978   4.222 -19.977   1.928
  472   3HB   ALA 978          HB3       ALA 978   3.859 -21.661   1.547
  473    H    SER 979           H        SER 979   5.681 -19.046   0.441
  474    HA   SER 979           HA       SER 979   6.809 -19.922  -2.046
  475   1HB   SER 979          HB1       SER 979   3.837 -19.905  -1.640
  476   2HB   SER 979          HB2       SER 979   4.516 -19.567  -3.241
  477    HG   SER 979           HG       SER 979   5.500 -21.795  -1.877
  478    H    THR 980           H        THR 980   4.536 -17.560  -0.634
  479    HA   THR 980           HA       THR 980   4.581 -15.653  -2.633
  480    HB   THR 980           HB       THR 980   3.056 -15.703  -0.613
  481    HG1  THR 980           HG1      THR 980   3.047 -13.265  -0.642
  482   1HG2  THR 980          1HG2      THR 980   5.309 -14.081   0.575
  483   2HG2  THR 980          2HG2      THR 980   3.709 -14.310   1.281
  484   3HG2  THR 980          3HG2      THR 980   4.803 -15.683   1.113
  485    H    HIS 981           H        HIS 981   7.197 -16.335  -0.553
  486    HA   HIS 981           HA       HIS 981   8.365 -13.961   0.035
  487   1HB   HIS 981          HB1       HIS 981  10.544 -15.081  -0.019
  488   2HB   HIS 981          HB2       HIS 981   9.319 -16.097   0.725
  489    HD1  HIS 981           HD1      HIS 981   9.198 -18.420  -0.113
  490    HD2  HIS 981           HD2      HIS 981  11.105 -15.912  -2.818
  491    HE1  HIS 981           HE1      HIS 981  10.011 -19.914  -1.959
  492    HE2  HIS 981           HE2      HIS 981  10.966 -18.351  -3.684
  493    H    ARG 982           H        ARG 982   7.958 -15.148  -3.191
  494    HA   ARG 982           HA       ARG 982  10.160 -13.596  -4.245
  495   1HB   ARG 982          HB1       ARG 982   9.267 -15.669  -5.369
  496   2HB   ARG 982          HB2       ARG 982   7.853 -14.727  -5.833
  497   1HG   ARG 982          HG1       ARG 982   9.402 -14.782  -7.670
  498   2HG   ARG 982          HG2       ARG 982   9.353 -13.144  -7.012
  499   1HD   ARG 982          HD1       ARG 982  11.360 -13.840  -5.600
  500   2HD   ARG 982          HD2       ARG 982  11.478 -15.239  -6.662
  501    HE   ARG 982           HE       ARG 982  11.487 -12.567  -7.864
  502   1HH1  ARG 982          2HH1      ARG 982  13.155 -15.551  -7.118
  503   2HH1  ARG 982          1HH1      ARG 982  14.591 -15.132  -8.011
  504   1HH2  ARG 982          2HH2      ARG 982  13.339 -11.998  -9.042
  505   2HH2  ARG 982          1HH2      ARG 982  14.691 -13.096  -9.126
  506    H    GLU 983           H        GLU 983   6.580 -13.305  -4.427
  507    HA   GLU 983           HA       GLU 983   6.791 -10.667  -5.518
  508   1HB   GLU 983          HB1       GLU 983   4.662 -12.481  -5.210
  509   2HB   GLU 983          HB2       GLU 983   4.240 -11.066  -4.285
  510   1HG   GLU 983          HG1       GLU 983   3.387 -10.675  -6.406
  511   2HG   GLU 983          HG2       GLU 983   4.838  -9.688  -6.276
  512    H    ILE 984           H        ILE 984   6.217 -11.959  -2.291
  513    HA   ILE 984           HA       ILE 984   5.389  -9.510  -1.173
  514    HB   ILE 984           HB       ILE 984   5.060 -11.741  -0.090
  515   1HG1  ILE 984          1HG1      ILE 984   6.401  -9.591   1.575
  516   2HG1  ILE 984          2HG1      ILE 984   4.696  -9.654   1.142
  517   1HG2  ILE 984          1HG2      ILE 984   7.313 -12.625  -0.402
  518   2HG2  ILE 984          2HG2      ILE 984   7.959 -11.401   0.691
  519   3HG2  ILE 984          3HG2      ILE 984   6.860 -12.638   1.301
  520   1HD1  ILE 984          1HD1      ILE 984   6.170 -11.593   2.907
  521   2HD1  ILE 984          2HD1      ILE 984   5.004 -10.370   3.417
  522   3HD1  ILE 984          3HD1      ILE 984   4.476 -11.735   2.432
  523    H    GLU 985           H        GLU 985   8.551 -10.791  -1.920
  524    HA   GLU 985           HA       GLU 985   9.939  -8.727  -0.522
  525   1HB   GLU 985          HB1       GLU 985  10.759 -10.685  -2.634
  526   2HB   GLU 985          HB2       GLU 985  11.815  -9.342  -2.214
  527   1HG   GLU 985          HG1       GLU 985  11.552 -10.128   0.202
  528   2HG   GLU 985          HG2       GLU 985  10.902 -11.615  -0.488
  529    H    MET 986           H        MET 986   8.642  -9.024  -3.833
  530    HA   MET 986           HA       MET 986  10.105  -6.745  -4.712
  531   1HB   MET 986          HB1       MET 986   8.930  -6.857  -6.790
  532   2HB   MET 986          HB2       MET 986   9.404  -8.470  -6.296
  533   1HG   MET 986          HG1       MET 986   7.178  -9.028  -5.696
  534   2HG   MET 986          HG2       MET 986   6.649  -7.355  -5.878
  535   1HE   MET 986          HE1       MET 986   8.064  -9.943  -9.424
  536   2HE   MET 986          HE2       MET 986   9.171  -9.122  -8.325
  537   3HE   MET 986          HE3       MET 986   8.163 -10.445  -7.736
  538    H    ALA 987           H        ALA 987   6.693  -7.139  -3.808
  539    HA   ALA 987           HA       ALA 987   6.125  -4.396  -4.380
  540   1HB   ALA 987          HB1       ALA 987   3.890  -4.875  -3.833
  541   2HB   ALA 987          HB2       ALA 987   4.509  -6.294  -4.679
  542   3HB   ALA 987          HB3       ALA 987   4.346  -6.317  -2.927
  543    H    GLN 988           H        GLN 988   6.599  -6.349  -1.447
  544    HA   GLN 988           HA       GLN 988   5.687  -4.398   0.345
  545   1HB   GLN 988          HB1       GLN 988   5.985  -6.641   1.126
  546   2HB   GLN 988          HB2       GLN 988   7.696  -6.615   0.724
  547   1HG   GLN 988          HG1       GLN 988   7.992  -4.835   2.443
  548   2HG   GLN 988          HG2       GLN 988   6.311  -5.089   2.913
  549   1HE2  GLN 988          2HE2      GLN 988   8.332  -7.704   1.837
  550   2HE2  GLN 988          1HE2      GLN 988   8.497  -8.478   3.374
  551    H    LYS 989           H        LYS 989   8.970  -5.037  -0.886
  552    HA   LYS 989           HA       LYS 989  10.206  -2.924   0.586
  553   1HB   LYS 989          HB1       LYS 989  11.127  -4.203  -2.001
  554   2HB   LYS 989          HB2       LYS 989  12.112  -3.239  -0.912
  555   1HG   LYS 989          HG1       LYS 989  11.909  -4.932   0.812
  556   2HG   LYS 989          HG2       LYS 989  10.866  -5.894  -0.236
  557   1HD   LYS 989          HD1       LYS 989  12.747  -5.949  -1.897
  558   2HD   LYS 989          HD2       LYS 989  13.768  -5.210  -0.662
  559   1HE   LYS 989          HE1       LYS 989  13.410  -7.100   0.808
  560   2HE   LYS 989          HE2       LYS 989  12.292  -7.820  -0.349
  561   1HZ   LYS 989          HZ1       LYS 989  15.215  -7.429  -0.666
  562   2HZ   LYS 989          HZ2       LYS 989  14.358  -8.896  -0.629
  563   3HZ   LYS 989          HZ3       LYS 989  14.194  -7.852  -1.954
  564    H    LEU 990           H        LEU 990   8.424  -3.205  -2.310
  565    HA   LEU 990           HA       LEU 990   9.176  -0.747  -3.533
  566   1HB   LEU 990          HB1       LEU 990   8.390  -2.357  -4.995
  567   2HB   LEU 990          HB2       LEU 990   7.129  -2.886  -3.909
  568    HG   LEU 990           HG       LEU 990   5.817  -0.920  -4.466
  569   1HD1  LEU 990          1HD1      LEU 990   6.509   0.513  -6.351
  570   2HD1  LEU 990          2HD1      LEU 990   7.638   0.634  -5.001
  571   3HD1  LEU 990          3HD1      LEU 990   8.054  -0.333  -6.418
  572   1HD2  LEU 990          1HD2      LEU 990   5.258  -1.564  -6.756
  573   2HD2  LEU 990          2HD2      LEU 990   6.758  -2.486  -6.854
  574   3HD2  LEU 990          3HD2      LEU 990   5.500  -2.970  -5.717
  575    H    LEU 991           H        LEU 991   6.607  -1.821  -1.382
  576    HA   LEU 991           HA       LEU 991   5.054   0.510  -1.272
  577   1HB   LEU 991          HB1       LEU 991   5.637  -1.465   0.935
  578   2HB   LEU 991          HB2       LEU 991   4.308  -0.322   0.915
  579    HG   LEU 991           HG       LEU 991   4.525  -2.277  -1.319
  580   1HD1  LEU 991          1HD1      LEU 991   3.487  -2.910   1.450
  581   2HD1  LEU 991          2HD1      LEU 991   3.263  -3.920   0.022
  582   3HD1  LEU 991          3HD1      LEU 991   4.884  -3.648   0.664
  583   1HD2  LEU 991          1HD2      LEU 991   2.789  -0.471  -1.210
  584   2HD2  LEU 991          2HD2      LEU 991   2.128  -2.103  -1.288
  585   3HD2  LEU 991          3HD2      LEU 991   2.159  -1.234   0.247
  586    H    ASN 992           H        ASN 992   7.718  -0.577   0.819
  587    HA   ASN 992           HA       ASN 992   7.594   1.531   2.635
  588   1HB   ASN 992          HB1       ASN 992   8.841  -0.583   2.993
  589   2HB   ASN 992          HB2       ASN 992  10.035  -0.054   1.813
  590   1HD2  ASN 992          2HD2      ASN 992  11.698  -0.104   3.300
  591   2HD2  ASN 992          1HD2      ASN 992  11.852   1.083   4.551
  592    H    SER 993           H        SER 993   9.230   1.244  -0.453
  593    HA   SER 993           HA       SER 993  10.843   3.550  -0.095
  594   1HB   SER 993          HB1       SER 993  11.108   3.284  -2.655
  595   2HB   SER 993          HB2       SER 993  11.740   2.026  -1.596
  596    HG   SER 993           HG       SER 993   9.112   1.823  -2.587
  597    H    ASP 994           H        ASP 994   7.604   3.076  -1.541
  598    HA   ASP 994           HA       ASP 994   7.802   5.885  -2.413
  599   1HB   ASP 994          HB1       ASP 994   6.355   3.571  -3.600
  600   2HB   ASP 994          HB2       ASP 994   5.723   5.197  -3.852
  601    H    LEU 995           H        LEU 995   5.712   3.674  -0.584
  602    HA   LEU 995           HA       LEU 995   3.739   5.550   0.066
  603   1HB   LEU 995          HB1       LEU 995   3.739   3.087   0.701
  604   2HB   LEU 995          HB2       LEU 995   4.844   3.503   1.994
  605    HG   LEU 995           HG       LEU 995   2.534   5.202   2.130
  606   1HD1  LEU 995          1HD1      LEU 995   1.975   2.244   2.127
  607   2HD1  LEU 995          2HD1      LEU 995   0.850   3.512   2.612
  608   3HD1  LEU 995          3HD1      LEU 995   1.394   3.408   0.936
  609   1HD2  LEU 995          1HD2      LEU 995   2.402   4.221   4.378
  610   2HD2  LEU 995          2HD2      LEU 995   3.642   3.053   3.926
  611   3HD2  LEU 995          3HD2      LEU 995   4.028   4.774   3.980
  612    H    ALA 996           H        ALA 996   6.834   4.843   1.584
  613    HA   ALA 996           HA       ALA 996   6.747   6.964   3.469
  614   1HB   ALA 996          HB1       ALA 996   8.326   5.116   3.712
  615   2HB   ALA 996          HB2       ALA 996   9.195   5.664   2.278
  616   3HB   ALA 996          HB3       ALA 996   9.154   6.672   3.726
  617    H    GLU 997           H        GLU 997   8.205   6.793   0.218
  618    HA   GLU 997           HA       GLU 997   9.115   9.360  -0.006
  619   1HB   GLU 997          HB1       GLU 997   9.524   7.910  -1.825
  620   2HB   GLU 997          HB2       GLU 997   7.816   7.571  -2.052
  621   1HG   GLU 997          HG1       GLU 997   8.446   8.954  -3.842
  622   2HG   GLU 997          HG2       GLU 997   7.542   9.981  -2.736
  623    H    LEU 998           H        LEU 998   5.733   8.284  -0.372
  624    HA   LEU 998           HA       LEU 998   4.825  10.880  -1.096
  625   1HB   LEU 998          HB1       LEU 998   3.512   8.826  -1.530
  626   2HB   LEU 998          HB2       LEU 998   3.247   8.653   0.197
  627    HG   LEU 998           HG       LEU 998   2.002  10.762   0.239
  628   1HD1  LEU 998          1HD1      LEU 998   3.137  11.942  -1.544
  629   2HD1  LEU 998          2HD1      LEU 998   2.488  10.813  -2.734
  630   3HD1  LEU 998          3HD1      LEU 998   1.402  11.885  -1.852
  631   1HD2  LEU 998          1HD2      LEU 998   0.042  10.037  -1.032
  632   2HD2  LEU 998          2HD2      LEU 998   1.034   8.854  -1.887
  633   3HD2  LEU 998          3HD2      LEU 998   0.775   8.697  -0.149
  634    H    ILE 999           H        ILE 999   5.198   9.208   1.991
  635    HA   ILE 999           HA       ILE 999   3.888  11.031   3.647
  636    HB   ILE 999           HB       ILE 999   6.310   9.329   4.266
  637   1HG1  ILE 999          1HG1      ILE 999   3.365   8.874   4.798
  638   2HG1  ILE 999          2HG1      ILE 999   4.310   8.076   3.544
  639   1HG2  ILE 999          1HG2      ILE 999   5.669   9.600   6.627
  640   2HG2  ILE 999          2HG2      ILE 999   6.135  11.128   5.880
  641   3HG2  ILE 999          3HG2      ILE 999   4.431  10.759   6.142
  642   1HD1  ILE 999          1HD1      ILE 999   4.781   7.837   6.507
  643   2HD1  ILE 999          2HD1      ILE 999   3.974   6.644   5.487
  644   3HD1  ILE 999          3HD1      ILE 999   5.682   7.007   5.237
  645    H    ASN1000           H        ASN1000   7.288  10.879   2.728
  646    HA   ASN1000           HA       ASN1000   7.940  13.378   4.035
  647   1HB   ASN1000          HB1       ASN1000  10.075  12.657   3.768
  648   2HB   ASN1000          HB2       ASN1000   9.346  11.140   3.249
  649   1HD2  ASN1000          2HD2      ASN1000   8.838  10.998   0.912
  650   2HD2  ASN1000          1HD2      ASN1000  10.022  11.624  -0.190
  651    H    LYS1001           H        LYS1001   6.519  12.542   1.112
  652    HA   LYS1001           HA       LYS1001   7.544  14.825  -0.356
  653   1HB   LYS1001          HB1       LYS1001   6.485  12.420  -1.182
  654   2HB   LYS1001          HB2       LYS1001   5.152  13.537  -1.449
  655   1HG   LYS1001          HG1       LYS1001   6.662  13.225  -3.414
  656   2HG   LYS1001          HG2       LYS1001   6.480  14.900  -2.885
  657   1HD   LYS1001          HD1       LYS1001   8.595  14.752  -1.670
  658   2HD   LYS1001          HD2       LYS1001   8.777  13.075  -2.180
  659   1HE   LYS1001          HE1       LYS1001   8.528  15.354  -4.125
  660   2HE   LYS1001          HE2       LYS1001  10.079  14.809  -3.488
  661   1HZ   LYS1001          HZ1       LYS1001   9.665  13.768  -5.587
  662   2HZ   LYS1001          HZ2       LYS1001   9.568  12.583  -4.374
  663   3HZ   LYS1001          HZ3       LYS1001   8.154  13.194  -5.075
  664    H    MET1002           H        MET1002   4.694  13.852   1.442
  665    HA   MET1002           HA       MET1002   3.282  16.288   0.903
  666   1HB   MET1002          HB1       MET1002   2.860  14.230   3.072
  667   2HB   MET1002          HB2       MET1002   1.718  15.482   2.593
  668   1HG   MET1002          HG1       MET1002   2.593  13.057   1.074
  669   2HG   MET1002          HG2       MET1002   0.961  13.516   1.577
  670   1HE   MET1002          HE1       MET1002   0.620  16.808  -0.759
  671   2HE   MET1002          HE2       MET1002  -0.071  15.992   0.644
  672   3HE   MET1002          HE3       MET1002   1.500  16.783   0.767
  673    H    LYS1003           H        LYS1003   5.190  14.883   3.486
  674    HA   LYS1003           HA       LYS1003   5.330  17.048   5.208
  675   1HB   LYS1003          HB1       LYS1003   6.307  14.865   5.736
  676   2HB   LYS1003          HB2       LYS1003   7.482  15.054   4.441
  677   1HG   LYS1003          HG1       LYS1003   8.580  16.825   5.596
  678   2HG   LYS1003          HG2       LYS1003   7.306  16.897   6.813
  679   1HD   LYS1003          HD1       LYS1003   7.898  14.575   7.479
  680   2HD   LYS1003          HD2       LYS1003   9.253  14.642   6.350
  681   1HE   LYS1003          HE1       LYS1003  10.230  16.482   7.570
  682   2HE   LYS1003          HE2       LYS1003   8.834  16.547   8.646
  683   1HZ   LYS1003          HZ1       LYS1003   9.391  14.272   9.360
  684   2HZ   LYS1003          HZ2       LYS1003  10.799  14.334   8.420
  685   3HZ   LYS1003          HZ3       LYS1003  10.607  15.394   9.729
  686    H    LEU1004           H        LEU1004   7.485  16.233   2.489
  687    HA   LEU1004           HA       LEU1004   8.910  18.565   2.274
  688   1HB   LEU1004          HB1       LEU1004   9.104  16.368   0.987
  689   2HB   LEU1004          HB2       LEU1004   7.931  17.052  -0.118
  690    HG   LEU1004           HG       LEU1004   9.482  18.928  -0.573
  691   1HD1  LEU1004          1HD1      LEU1004  10.722  18.951   1.499
  692   2HD1  LEU1004          2HD1      LEU1004  11.360  17.340   1.170
  693   3HD1  LEU1004          3HD1      LEU1004  11.829  18.701   0.149
  694   1HD2  LEU1004          1HD2      LEU1004   9.435  16.974  -2.035
  695   2HD2  LEU1004          2HD2      LEU1004  11.061  17.646  -1.916
  696   3HD2  LEU1004          3HD2      LEU1004  10.647  16.182  -1.025
  697    H    ALA1005           H        ALA1005   5.778  17.889   0.668
  698    HA   ALA1005           HA       ALA1005   5.608  20.328  -0.709
  699   1HB   ALA1005          HB1       ALA1005   3.190  19.899  -0.829
  700   2HB   ALA1005          HB2       ALA1005   4.134  18.460  -1.217
  701   3HB   ALA1005          HB3       ALA1005   3.366  18.614   0.364
  702    H    GLN1006           H        GLN1006   4.448  19.397   2.483
  703    HA   GLN1006           HA       GLN1006   3.519  22.033   3.120
  704   1HB   GLN1006          HB1       GLN1006   2.678  21.060   5.024
  705   2HB   GLN1006          HB2       GLN1006   2.837  19.634   4.007
  706   1HG   GLN1006          HG1       GLN1006   3.692  18.880   5.971
  707   2HG   GLN1006          HG2       GLN1006   5.160  19.410   5.154
  708   1HE2  GLN1006          2HE2      GLN1006   6.191  19.603   7.141
  709   2HE2  GLN1006          1HE2      GLN1006   5.899  20.943   8.192
  710    H    GLN1007           H        GLN1007   6.497  20.583   2.885
  711    HA   GLN1007           HA       GLN1007   7.852  22.075   4.955
  712   1HB   GLN1007          HB1       GLN1007   8.362  19.651   4.024
  713   2HB   GLN1007          HB2       GLN1007   9.241  20.547   2.792
  714   1HG   GLN1007          HG1       GLN1007  10.690  19.773   4.583
  715   2HG   GLN1007          HG2       GLN1007  10.668  21.537   4.471
  716   1HE2  GLN1007          2HE2      GLN1007   8.050  19.691   5.851
  717   2HE2  GLN1007          1HE2      GLN1007   8.304  20.198   7.490
  718    H    TYR1008           H        TYR1008   6.918  22.492   1.749
  719    HA   TYR1008           HA       TYR1008   8.794  24.731   1.383
  720   1HB   TYR1008          HB1       TYR1008   9.523  22.862   0.017
  721   2HB   TYR1008          HB2       TYR1008   7.906  22.651  -0.633
  722    HD1  TYR1008           HD1      TYR1008  10.515  25.342  -0.419
  723    HD2  TYR1008           HD2      TYR1008   7.547  23.393  -2.768
  724    HE1  TYR1008           HE1      TYR1008  11.120  26.751  -2.342
  725    HE2  TYR1008           HE2      TYR1008   8.146  24.799  -4.699
  726    HH   TYR1008           HH       TYR1008   9.201  26.998  -5.118
  727    H    VAL1009           H        VAL1009   5.790  24.107   2.095
  728    HA   VAL1009           HA       VAL1009   4.106  25.175   0.209
  729    HB   VAL1009           HB       VAL1009   3.160  24.183   2.162
  730   1HG1  VAL1009          1HG1      VAL1009   3.272  25.222   4.383
  731   2HG1  VAL1009          2HG1      VAL1009   4.866  24.746   3.795
  732   3HG1  VAL1009          3HG1      VAL1009   4.379  26.440   3.748
  733   1HG2  VAL1009          1HG2      VAL1009   1.503  25.881   2.821
  734   2HG2  VAL1009          2HG2      VAL1009   2.505  27.129   2.082
  735   3HG2  VAL1009          3HG2      VAL1009   1.787  25.867   1.081
  736    H    MET1010           H        MET1010   4.359  26.942  -0.894
  737    HA   MET1010           HA       MET1010   4.483  29.488   0.486
  738   1HB   MET1010          HB1       MET1010   6.310  30.354  -0.897
  739   2HB   MET1010          HB2       MET1010   6.851  28.986   0.066
  740   1HG   MET1010          HG1       MET1010   6.693  27.531  -1.862
  741   2HG   MET1010          HG2       MET1010   6.066  28.858  -2.838
  742   1HE   MET1010          HE1       MET1010   7.870  31.275  -1.743
  743   2HE   MET1010          HE2       MET1010   9.188  31.272  -2.914
  744   3HE   MET1010          HE3       MET1010   7.525  31.043  -3.456
  745    H    THR1011           H        THR1011   4.270  31.296  -1.217
  746    HA   THR1011           HA       THR1011   1.807  30.940  -2.461
  747    HB   THR1011           HB       THR1011   3.819  33.074  -3.168
  748    HG1  THR1011           HG1      THR1011   2.768  34.209  -1.369
  749   1HG2  THR1011          1HG2      THR1011   1.820  34.450  -3.508
  750   2HG2  THR1011          2HG2      THR1011   1.789  33.023  -4.545
  751   3HG2  THR1011          3HG2      THR1011   0.798  33.074  -3.086
  752    H    SER1012           H        SER1012   1.396  29.680  -4.132
  753    HA   SER1012           HA       SER1012   1.194  29.112  -6.312
  754   1HB   SER1012          HB1       SER1012   3.429  31.066  -6.876
  755   2HB   SER1012          HB2       SER1012   2.331  30.359  -8.061
  756    HG   SER1012           HG       SER1012   0.598  31.378  -6.873
  757    H    LEU1013           H        LEU1013   4.455  29.137  -4.993
  758    HA   LEU1013           HA       LEU1013   5.387  27.176  -6.898
  759   1HB   LEU1013          HB1       LEU1013   6.615  28.557  -4.545
  760   2HB   LEU1013          HB2       LEU1013   7.372  27.116  -5.193
  761    HG   LEU1013           HG       LEU1013   8.451  29.054  -6.112
  762   1HD1  LEU1013          1HD1      LEU1013   6.679  27.779  -8.185
  763   2HD1  LEU1013          2HD1      LEU1013   8.188  28.639  -8.492
  764   3HD1  LEU1013          3HD1      LEU1013   8.203  27.128  -7.582
  765   1HD2  LEU1013          1HD2      LEU1013   5.728  29.900  -7.083
  766   2HD2  LEU1013          2HD2      LEU1013   6.683  30.683  -5.823
  767   3HD2  LEU1013          3HD2      LEU1013   7.255  30.683  -7.491
  768    H    GLN1014           H        GLN1014   3.517  27.003  -4.148
  769    HA   GLN1014           HA       GLN1014   4.525  24.672  -2.907
  770   1HB   GLN1014          HB1       GLN1014   2.776  26.354  -2.031
  771   2HB   GLN1014          HB2       GLN1014   1.610  25.442  -2.977
  772   1HG   GLN1014          HG1       GLN1014   3.315  23.906  -1.112
  773   2HG   GLN1014          HG2       GLN1014   2.091  24.962  -0.409
  774   1HE2  GLN1014          2HE2      GLN1014   2.674  22.121  -2.311
  775   2HE2  GLN1014          1HE2      GLN1014   1.048  21.542  -2.294
  776    H    GLN1015           H        GLN1015   2.350  25.221  -5.595
  777    HA   GLN1015           HA       GLN1015   1.315  22.620  -5.819
  778   1HB   GLN1015          HB1       GLN1015   0.627  23.204  -8.059
  779   2HB   GLN1015          HB2       GLN1015   0.315  24.542  -6.966
  780   1HG   GLN1015          HG1       GLN1015   2.270  25.707  -7.789
  781   2HG   GLN1015          HG2       GLN1015   2.662  24.345  -8.840
  782   1HE2  GLN1015          2HE2      GLN1015   1.380  23.946 -10.646
  783   2HE2  GLN1015          1HE2      GLN1015   0.314  25.139 -11.304
  784    H    GLU1016           H        GLU1016   4.262  24.039  -7.208
  785    HA   GLU1016           HA       GLU1016   5.196  21.986  -8.707
  786   1HB   GLU1016          HB1       GLU1016   6.519  23.981  -8.416
  787   2HB   GLU1016          HB2       GLU1016   6.793  23.603  -6.718
  788   1HG   GLU1016          HG1       GLU1016   8.171  21.759  -7.255
  789   2HG   GLU1016          HG2       GLU1016   7.684  21.806  -8.944
  790    H    TYR1017           H        TYR1017   5.262  22.073  -5.159
  791    HA   TYR1017           HA       TYR1017   6.420  19.417  -5.082
  792   1HB   TYR1017          HB1       TYR1017   5.687  21.445  -2.996
  793   2HB   TYR1017          HB2       TYR1017   5.908  19.763  -2.531
  794    HD1  TYR1017           HD1      TYR1017   7.810  20.372  -1.074
  795    HD2  TYR1017           HD2      TYR1017   7.880  21.128  -5.277
  796    HE1  TYR1017           HE1      TYR1017  10.247  20.683  -0.993
  797    HE2  TYR1017           HE2      TYR1017  10.311  21.448  -5.182
  798    HH   TYR1017           HH       TYR1017  12.182  20.545  -2.511
  799    H    LYS1018           H        LYS1018   3.342  20.879  -5.116
  800    HA   LYS1018           HA       LYS1018   1.870  18.711  -3.984
  801   1HB   LYS1018          HB1       LYS1018   0.965  20.969  -3.994
  802   2HB   LYS1018          HB2       LYS1018   1.000  21.004  -5.750
  803   1HG   LYS1018          HG1       LYS1018  -0.693  19.278  -5.854
  804   2HG   LYS1018          HG2       LYS1018  -0.692  19.145  -4.093
  805   1HD   LYS1018          HD1       LYS1018  -1.534  21.376  -3.865
  806   2HD   LYS1018          HD2       LYS1018  -1.347  21.675  -5.593
  807   1HE   LYS1018          HE1       LYS1018  -3.212  19.651  -4.358
  808   2HE   LYS1018          HE2       LYS1018  -3.684  21.236  -4.972
  809   1HZ   LYS1018          HZ1       LYS1018  -4.144  19.614  -6.635
  810   2HZ   LYS1018          HZ2       LYS1018  -2.818  20.529  -7.166
  811   3HZ   LYS1018          HZ3       LYS1018  -2.575  18.968  -6.542
  812    H    LYS1019           H        LYS1019   2.910  19.541  -7.266
  813    HA   LYS1019           HA       LYS1019   1.373  17.420  -8.447
  814   1HB   LYS1019          HB1       LYS1019   2.641  17.865 -10.503
  815   2HB   LYS1019          HB2       LYS1019   1.965  19.334  -9.819
  816   1HG   LYS1019          HG1       LYS1019   4.184  19.857  -8.860
  817   2HG   LYS1019          HG2       LYS1019   4.831  18.429  -9.673
  818   1HD   LYS1019          HD1       LYS1019   3.473  20.737 -11.061
  819   2HD   LYS1019          HD2       LYS1019   5.220  20.534 -10.927
  820   1HE   LYS1019          HE1       LYS1019   3.360  18.546 -12.226
  821   2HE   LYS1019          HE2       LYS1019   4.273  19.775 -13.098
  822   1HZ   LYS1019          HZ1       LYS1019   5.493  17.770 -13.222
  823   2HZ   LYS1019          HZ2       LYS1019   6.316  18.754 -12.111
  824   3HZ   LYS1019          HZ3       LYS1019   5.350  17.475 -11.557
  825    H    GLN1020           H        GLN1020   4.828  17.835  -7.651
  826    HA   GLN1020           HA       GLN1020   5.762  15.302  -7.904
  827   1HB   GLN1020          HB1       GLN1020   6.138  17.133  -5.529
  828   2HB   GLN1020          HB2       GLN1020   7.087  15.679  -5.811
  829   1HG   GLN1020          HG1       GLN1020   7.932  16.599  -7.885
  830   2HG   GLN1020          HG2       GLN1020   6.936  18.038  -7.670
  831   1HE2  GLN1020          2HE2      GLN1020   8.713  19.396  -7.689
  832   2HE2  GLN1020          1HE2      GLN1020   9.816  19.492  -6.364
  833    H    MET1021           H        MET1021   3.637  16.456  -5.310
  834    HA   MET1021           HA       MET1021   3.340  14.093  -3.879
  835   1HB   MET1021          HB1       MET1021   2.363  15.939  -2.874
  836   2HB   MET1021          HB2       MET1021   1.578  16.461  -4.355
  837   1HG   MET1021          HG1       MET1021   0.715  13.896  -3.125
  838   2HG   MET1021          HG2       MET1021   0.222  15.402  -2.360
  839   1HE   MET1021          HE1       MET1021  -2.306  14.564  -2.699
  840   2HE   MET1021          HE2       MET1021  -3.004  14.172  -4.271
  841   3HE   MET1021          HE3       MET1021  -1.774  13.122  -3.566
  842    H    LEU1022           H        LEU1022   1.546  15.217  -6.720
  843    HA   LEU1022           HA       LEU1022  -0.274  13.080  -6.828
  844   1HB   LEU1022          HB1       LEU1022  -0.462  15.266  -8.038
  845   2HB   LEU1022          HB2       LEU1022   0.775  14.705  -9.145
  846    HG   LEU1022           HG       LEU1022  -0.718  12.843  -9.824
  847   1HD1  LEU1022          1HD1      LEU1022  -2.029  12.704  -7.759
  848   2HD1  LEU1022          2HD1      LEU1022  -2.759  14.268  -8.122
  849   3HD1  LEU1022          3HD1      LEU1022  -3.060  12.888  -9.178
  850   1HD2  LEU1022          1HD2      LEU1022  -0.641  14.907 -11.121
  851   2HD2  LEU1022          2HD2      LEU1022  -2.265  14.220 -11.127
  852   3HD2  LEU1022          3HD2      LEU1022  -1.898  15.607 -10.101
  853    H    THR1023           H        THR1023   2.928  13.536  -8.209
  854    HA   THR1023           HA       THR1023   2.985  11.163  -9.758
  855    HB   THR1023           HB       THR1023   5.355  12.620  -8.572
  856    HG1  THR1023           HG1      THR1023   3.521  13.358 -10.521
  857   1HG2  THR1023          1HG2      THR1023   5.060  10.982 -11.099
  858   2HG2  THR1023          2HG2      THR1023   6.526  11.806 -10.565
  859   3HG2  THR1023          3HG2      THR1023   5.877  10.463  -9.625
  860    H    ALA1024           H        ALA1024   3.804  11.916  -6.434
  861    HA   ALA1024           HA       ALA1024   5.125   9.401  -5.935
  862   1HB   ALA1024          HB1       ALA1024   4.205  11.518  -3.993
  863   2HB   ALA1024          HB2       ALA1024   5.270  10.163  -3.623
  864   3HB   ALA1024          HB3       ALA1024   5.802  11.424  -4.735
  865    H    ALA1025           H        ALA1025   1.996  10.870  -5.181
  866    HA   ALA1025           HA       ALA1025   0.952   8.757  -3.645
  867   1HB   ALA1025          HB1       ALA1025  -1.229   9.746  -4.080
  868   2HB   ALA1025          HB2       ALA1025  -0.045  11.005  -3.729
  869   3HB   ALA1025          HB3       ALA1025  -0.551  10.708  -5.391
  870    H    HIS1026           H        HIS1026   1.190   9.293  -7.078
  871    HA   HIS1026           HA       HIS1026  -0.556   7.181  -7.838
  872   1HB   HIS1026          HB1       HIS1026   0.076   9.115  -9.310
  873   2HB   HIS1026          HB2       HIS1026   1.690   8.430  -9.446
  874    HD1  HIS1026           HD1      HIS1026  -1.259   8.670 -11.325
  875    HD2  HIS1026           HD2      HIS1026   1.358   5.549 -10.493
  876    HE1  HIS1026           HE1      HIS1026  -1.621   6.973 -13.148
  877    HE2  HIS1026           HE2      HIS1026   0.115   5.193 -12.727
  878    H    ALA1027           H        ALA1027   2.950   7.498  -7.506
  879    HA   ALA1027           HA       ALA1027   3.654   4.883  -8.228
  880   1HB   ALA1027          HB1       ALA1027   5.009   6.689  -6.222
  881   2HB   ALA1027          HB2       ALA1027   5.728   5.287  -7.015
  882   3HB   ALA1027          HB3       ALA1027   5.284   6.705  -7.964
  883    H    LEU1028           H        LEU1028   2.802   6.330  -5.148
  884    HA   LEU1028           HA       LEU1028   3.141   4.176  -3.425
  885   1HB   LEU1028          HB1       LEU1028   2.689   6.403  -2.625
  886   2HB   LEU1028          HB2       LEU1028   1.132   6.422  -3.418
  887    HG   LEU1028           HG       LEU1028   1.472   4.257  -1.443
  888   1HD1  LEU1028          1HD1      LEU1028   0.973   7.032  -0.424
  889   2HD1  LEU1028          2HD1      LEU1028   1.389   5.575   0.479
  890   3HD1  LEU1028          3HD1      LEU1028   2.608   6.381  -0.504
  891   1HD2  LEU1028          1HD2      LEU1028  -0.781   4.928  -0.850
  892   2HD2  LEU1028          2HD2      LEU1028  -0.671   6.298  -1.957
  893   3HD2  LEU1028          3HD2      LEU1028  -0.621   4.650  -2.583
  894    H    ALA1029           H        ALA1029   0.186   5.242  -5.033
  895    HA   ALA1029           HA       ALA1029  -1.446   3.188  -4.207
  896   1HB   ALA1029          HB1       ALA1029  -2.918   3.733  -6.076
  897   2HB   ALA1029          HB2       ALA1029  -2.280   5.198  -5.328
  898   3HB   ALA1029          HB3       ALA1029  -1.610   4.626  -6.856
  899    H    VAL1030           H        VAL1030   0.860   3.204  -6.875
  900    HA   VAL1030           HA       VAL1030   0.136   0.722  -7.991
  901    HB   VAL1030           HB       VAL1030   2.821   2.114  -7.941
  902   1HG1  VAL1030          1HG1      VAL1030   1.931  -0.198  -9.665
  903   2HG1  VAL1030          2HG1      VAL1030   3.479   0.643  -9.756
  904   3HG1  VAL1030          3HG1      VAL1030   3.072  -0.301  -8.324
  905   1HG2  VAL1030          1HG2      VAL1030   2.239   2.747 -10.244
  906   2HG2  VAL1030          2HG2      VAL1030   0.667   1.971 -10.049
  907   3HG2  VAL1030          3HG2      VAL1030   1.081   3.380  -9.074
  908    H    ASP1031           H        ASP1031   2.495   1.578  -5.480
  909    HA   ASP1031           HA       ASP1031   3.539  -0.901  -4.872
  910   1HB   ASP1031          HB1       ASP1031   2.644   1.015  -2.711
  911   2HB   ASP1031          HB2       ASP1031   3.953  -0.150  -2.637
  912    H    ALA1032           H        ALA1032   0.520   0.518  -3.660
  913    HA   ALA1032           HA       ALA1032  -0.376  -1.665  -2.134
  914   1HB   ALA1032          HB1       ALA1032  -1.346   0.576  -1.995
  915   2HB   ALA1032          HB2       ALA1032  -2.017   0.385  -3.615
  916   3HB   ALA1032          HB3       ALA1032  -2.578  -0.649  -2.301
  917    H    LYS1033           H        LYS1033  -1.133  -0.773  -5.522
  918    HA   LYS1033           HA       LYS1033  -2.894  -2.955  -5.902
  919   1HB   LYS1033          HB1       LYS1033  -3.000  -2.355  -8.215
  920   2HB   LYS1033          HB2       LYS1033  -2.949  -0.875  -7.269
  921   1HG   LYS1033          HG1       LYS1033  -0.533  -0.696  -7.770
  922   2HG   LYS1033          HG2       LYS1033  -0.679  -2.113  -8.810
  923   1HD   LYS1033          HD1       LYS1033  -2.210   0.465  -9.158
  924   2HD   LYS1033          HD2       LYS1033  -0.760   0.020 -10.058
  925   1HE   LYS1033          HE1       LYS1033  -3.373  -1.486 -10.068
  926   2HE   LYS1033          HE2       LYS1033  -2.814  -0.400 -11.338
  927   1HZ   LYS1033          HZ1       LYS1033  -0.825  -1.924 -11.518
  928   2HZ   LYS1033          HZ2       LYS1033  -1.683  -3.022 -10.546
  929   3HZ   LYS1033          HZ3       LYS1033  -2.307  -2.560 -12.052
  930    H    ASN1034           H        ASN1034   0.571  -2.653  -6.388
  931    HA   ASN1034           HA       ASN1034   0.777  -5.067  -7.915
  932   1HB   ASN1034          HB1       ASN1034   2.475  -3.118  -7.790
  933   2HB   ASN1034          HB2       ASN1034   3.037  -3.891  -6.310
  934   1HD2  ASN1034          2HD2      ASN1034   4.120  -5.841  -6.436
  935   2HD2  ASN1034          1HD2      ASN1034   4.710  -6.489  -7.922
  936    H    LEU1035           H        LEU1035   0.911  -4.235  -4.519
  937    HA   LEU1035           HA       LEU1035   1.837  -6.887  -3.713
  938   1HB   LEU1035          HB1       LEU1035   2.512  -4.945  -2.377
  939   2HB   LEU1035          HB2       LEU1035   0.828  -4.516  -2.098
  940    HG   LEU1035           HG       LEU1035   0.713  -6.914  -1.033
  941   1HD1  LEU1035          1HD1      LEU1035   2.795  -7.538   0.076
  942   2HD1  LEU1035          2HD1      LEU1035   2.967  -7.582  -1.679
  943   3HD1  LEU1035          3HD1      LEU1035   3.637  -6.233  -0.762
  944   1HD2  LEU1035          1HD2      LEU1035   1.247  -5.918   1.128
  945   2HD2  LEU1035          2HD2      LEU1035   2.022  -4.561   0.309
  946   3HD2  LEU1035          3HD2      LEU1035   0.288  -4.828   0.127
  947    H    LEU1036           H        LEU1036  -1.262  -5.203  -4.096
  948    HA   LEU1036           HA       LEU1036  -2.795  -7.045  -2.603
  949   1HB   LEU1036          HB1       LEU1036  -4.761  -6.205  -3.686
  950   2HB   LEU1036          HB2       LEU1036  -3.713  -4.866  -3.299
  951    HG   LEU1036           HG       LEU1036  -3.000  -4.963  -5.778
  952   1HD1  LEU1036          1HD1      LEU1036  -5.589  -6.510  -5.905
  953   2HD1  LEU1036          2HD1      LEU1036  -4.737  -5.825  -7.289
  954   3HD1  LEU1036          3HD1      LEU1036  -3.991  -7.116  -6.344
  955   1HD2  LEU1036          1HD2      LEU1036  -4.346  -3.191  -4.743
  956   2HD2  LEU1036          2HD2      LEU1036  -4.874  -3.536  -6.390
  957   3HD2  LEU1036          3HD2      LEU1036  -5.803  -4.144  -5.020
  958    H    ASP1037           H        ASP1037  -1.453  -7.042  -5.705
  959    HA   ASP1037           HA       ASP1037  -2.624  -9.520  -6.566
  960   1HB   ASP1037          HB1       ASP1037  -1.726  -7.999  -8.254
  961   2HB   ASP1037          HB2       ASP1037  -0.127  -8.094  -7.520
  962    H    VAL1038           H        VAL1038   0.406  -8.482  -5.125
  963    HA   VAL1038           HA       VAL1038   1.835 -10.835  -4.971
  964    HB   VAL1038           HB       VAL1038   1.703  -8.518  -3.043
  965   1HG1  VAL1038          1HG1      VAL1038   3.677 -10.788  -3.107
  966   2HG1  VAL1038          2HG1      VAL1038   3.874  -9.304  -2.174
  967   3HG1  VAL1038          3HG1      VAL1038   2.541 -10.402  -1.816
  968   1HG2  VAL1038          1HG2      VAL1038   2.478  -7.961  -5.281
  969   2HG2  VAL1038          2HG2      VAL1038   3.781  -7.823  -4.102
  970   3HG2  VAL1038          3HG2      VAL1038   3.706  -9.220  -5.174
  971    H    ILE1039           H        ILE1039  -0.117  -9.478  -2.366
  972    HA   ILE1039           HA       ILE1039   0.241 -11.862  -0.822
  973    HB   ILE1039           HB       ILE1039  -1.135 -10.686   0.911
  974   1HG1  ILE1039          1HG1      ILE1039  -1.008  -8.507  -1.172
  975   2HG1  ILE1039          2HG1      ILE1039  -2.433  -9.145  -0.356
  976   1HG2  ILE1039          1HG2      ILE1039   1.344  -9.324  -0.139
  977   2HG2  ILE1039          2HG2      ILE1039   0.693  -9.151   1.492
  978   3HG2  ILE1039          3HG2      ILE1039   1.292 -10.716   0.943
  979   1HD1  ILE1039          1HD1      ILE1039  -1.825  -6.934   0.465
  980   2HD1  ILE1039          2HD1      ILE1039  -1.690  -8.152   1.734
  981   3HD1  ILE1039          3HD1      ILE1039  -0.239  -7.542   0.939
  982    H    ASP1040           H        ASP1040  -2.588 -10.387  -2.463
  983    HA   ASP1040           HA       ASP1040  -4.419 -12.381  -1.847
  984   1HB   ASP1040          HB1       ASP1040  -5.177 -10.639  -3.309
  985   2HB   ASP1040          HB2       ASP1040  -3.968 -11.051  -4.524
  986    H    GLN1041           H        GLN1041  -1.782 -12.457  -4.190
  987    HA   GLN1041           HA       GLN1041  -2.375 -15.213  -4.811
  988   1HB   GLN1041          HB1       GLN1041  -0.541 -15.295  -6.279
  989   2HB   GLN1041          HB2       GLN1041  -1.358 -13.767  -6.563
  990   1HG   GLN1041          HG1       GLN1041   0.363 -12.595  -5.348
  991   2HG   GLN1041          HG2       GLN1041   1.152 -14.125  -4.962
  992   1HE2  GLN1041          2HE2      GLN1041   1.981 -11.716  -6.513
  993   2HE2  GLN1041          1HE2      GLN1041   2.550 -12.337  -8.019
  994    H    ALA1042           H        ALA1042  -0.300 -13.469  -2.571
  995    HA   ALA1042           HA       ALA1042   1.292 -15.497  -1.674
  996   1HB   ALA1042          HB1       ALA1042  -0.228 -13.534   0.027
  997   2HB   ALA1042          HB2       ALA1042   1.169 -14.479   0.545
  998   3HB   ALA1042          HB3       ALA1042   1.348 -13.260  -0.718
  999    H    ARG1043           H        ARG1043  -1.972 -14.744  -0.481
 1000    HA   ARG1043           HA       ARG1043  -2.388 -17.045   1.011
 1001   1HB   ARG1043          HB1       ARG1043  -3.867 -14.870   0.509
 1002   2HB   ARG1043          HB2       ARG1043  -4.690 -16.001  -0.558
 1003   1HG   ARG1043          HG1       ARG1043  -5.829 -15.997   1.526
 1004   2HG   ARG1043          HG2       ARG1043  -4.961 -17.528   1.393
 1005   1HD   ARG1043          HD1       ARG1043  -3.220 -16.727   2.848
 1006   2HD   ARG1043          HD2       ARG1043  -3.936 -15.114   2.878
 1007    HE   ARG1043           HE       ARG1043  -5.780 -17.082   3.785
 1008   1HH1  ARG1043          2HH1      ARG1043  -2.973 -15.242   4.829
 1009   2HH1  ARG1043          1HH1      ARG1043  -3.432 -15.257   6.508
 1010   1HH2  ARG1043          2HH2      ARG1043  -6.353 -17.119   6.002
 1011   2HH2  ARG1043          1HH2      ARG1043  -5.323 -16.330   7.162
 1012    H    LEU1044           H        LEU1044  -2.699 -16.530  -2.455
 1013    HA   LEU1044           HA       LEU1044  -3.670 -19.167  -3.022
 1014   1HB   LEU1044          HB1       LEU1044  -4.116 -17.315  -4.529
 1015   2HB   LEU1044          HB2       LEU1044  -2.401 -17.095  -4.803
 1016    HG   LEU1044           HG       LEU1044  -2.309 -19.325  -5.883
 1017   1HD1  LEU1044          1HD1      LEU1044  -4.382 -20.456  -6.484
 1018   2HD1  LEU1044          2HD1      LEU1044  -4.211 -20.344  -4.731
 1019   3HD1  LEU1044          3HD1      LEU1044  -5.308 -19.257  -5.582
 1020   1HD2  LEU1044          1HD2      LEU1044  -2.579 -17.318  -7.243
 1021   2HD2  LEU1044          2HD2      LEU1044  -3.473 -18.672  -7.936
 1022   3HD2  LEU1044          3HD2      LEU1044  -4.331 -17.413  -7.049
 1023    H    LYS1045           H        LYS1045  -0.506 -17.727  -2.666
 1024    HA   LYS1045           HA       LYS1045   1.086 -19.761  -3.804
 1025   1HB   LYS1045          HB1       LYS1045   1.655 -17.906  -1.465
 1026   2HB   LYS1045          HB2       LYS1045   2.853 -18.938  -2.215
 1027   1HG   LYS1045          HG1       LYS1045   1.458 -16.579  -3.424
 1028   2HG   LYS1045          HG2       LYS1045   3.170 -16.749  -3.029
 1029   1HD   LYS1045          HD1       LYS1045   3.364 -18.520  -4.736
 1030   2HD   LYS1045          HD2       LYS1045   1.661 -18.291  -5.145
 1031   1HE   LYS1045          HE1       LYS1045   2.218 -15.885  -5.638
 1032   2HE   LYS1045          HE2       LYS1045   3.917 -16.325  -5.479
 1033   1HZ   LYS1045          HZ1       LYS1045   3.305 -16.384  -7.778
 1034   2HZ   LYS1045          HZ2       LYS1045   3.560 -17.982  -7.266
 1035   3HZ   LYS1045          HZ3       LYS1045   1.980 -17.395  -7.461
 1036    H    MET1046           H        MET1046  -0.469 -19.273  -0.775
 1037    HA   MET1046           HA       MET1046   0.644 -21.540   0.568
 1038   1HB   MET1046          HB1       MET1046  -0.365 -19.566   1.706
 1039   2HB   MET1046          HB2       MET1046  -1.938 -20.081   1.126
 1040   1HG   MET1046          HG1       MET1046  -1.689 -22.179   2.386
 1041   2HG   MET1046          HG2       MET1046  -0.136 -21.597   2.991
 1042   1HE   MET1046          HE1       MET1046  -4.055 -21.060   3.032
 1043   2HE   MET1046          HE2       MET1046  -4.170 -19.553   3.940
 1044   3HE   MET1046          HE3       MET1046  -3.421 -19.564   2.344
 1045    H    ILE1047           H        ILE1047  -2.337 -20.892  -1.204
 1046    HA   ILE1047           HA       ILE1047  -3.480 -23.452  -1.094
 1047    HB   ILE1047           HB       ILE1047  -3.647 -21.394  -3.298
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.406 -20.528  -1.140
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.771 -20.751  -2.228
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.450 -23.744  -2.732
 1051   2HG2  ILE1047          2HG2      ILE1047  -5.701 -22.520  -3.976
 1052   3HG2  ILE1047          3HG2      ILE1047  -4.318 -23.608  -4.078
 1053   1HD1  ILE1047          1HD1      ILE1047  -6.310 -21.462   0.030
 1054   2HD1  ILE1047          2HD1      ILE1047  -6.341 -22.828  -1.085
 1055   3HD1  ILE1047          3HD1      ILE1047  -4.969 -22.607   0.001
 1056    H    SER1048           H        SER1048  -0.985 -22.035  -3.062
 1057    HA   SER1048           HA       SER1048  -0.890 -23.823  -5.195
 1058   1HB   SER1048          HB1       SER1048   0.192 -21.599  -5.174
 1059   2HB   SER1048          HB2       SER1048   1.381 -22.193  -4.014
 1060    HG   SER1048           HG       SER1048   2.462 -22.799  -5.704
 1061    H    GLN1049           H        GLN1049   0.760 -23.954  -2.055
 1062    HA   GLN1049           HA       GLN1049   2.242 -26.298  -2.926
 1063   1HB   GLN1049          HB1       GLN1049   2.290 -24.710  -0.372
 1064   2HB   GLN1049          HB2       GLN1049   3.187 -26.210  -0.578
 1065   1HG   GLN1049          HG1       GLN1049   3.494 -23.727  -2.255
 1066   2HG   GLN1049          HG2       GLN1049   4.594 -24.264  -0.986
 1067   1HE2  GLN1049          2HE2      GLN1049   4.341 -27.082  -1.716
 1068   2HE2  GLN1049          1HE2      GLN1049   5.245 -27.287  -3.183
 1069    H    SER1050           H        SER1050  -0.656 -25.595  -1.223
 1070    HA   SER1050           HA       SER1050  -0.927 -28.150   0.008
 1071   1HB   SER1050          HB1       SER1050  -3.039 -26.161  -0.869
 1072   2HB   SER1050          HB2       SER1050  -3.329 -27.558   0.167
 1073    HG   SER1050           HG       SER1050  -2.742 -26.358   1.767
 1074    H    ARG1051           H        ARG1051  -1.579 -26.791  -3.123
 1075    HA   ARG1051           HA       ARG1051  -2.256 -27.619  -5.105
 1076   1HB   ARG1051          HB1       ARG1051  -0.880 -30.046  -3.973
 1077   2HB   ARG1051          HB2       ARG1051  -1.509 -29.987  -5.614
 1078   1HG   ARG1051          HG1       ARG1051  -0.080 -27.980  -6.006
 1079   2HG   ARG1051          HG2       ARG1051   0.640 -28.257  -4.421
 1080   1HD   ARG1051          HD1       ARG1051   1.482 -30.395  -5.110
 1081   2HD   ARG1051          HD2       ARG1051   0.614 -30.293  -6.641
 1082    HE   ARG1051           HE       ARG1051   2.715 -28.337  -5.975
 1083   1HH1  ARG1051          2HH1      ARG1051   1.395 -30.798  -8.083
 1084   2HH1  ARG1051          1HH1      ARG1051   2.573 -30.555  -9.334
 1085   1HH2  ARG1051          2HH2      ARG1051   4.251 -27.982  -7.630
 1086   2HH2  ARG1051          1HH2      ARG1051   4.196 -28.948  -9.078
 1087    HA   PRO1052           HA       PRO1052  -6.093 -29.522  -3.576
 1088   1HB   PRO1052          HB1       PRO1052  -7.755 -27.539  -4.168
 1089   2HB   PRO1052          HB2       PRO1052  -6.657 -27.412  -2.789
 1090   1HG   PRO1052          HG1       PRO1052  -6.457 -26.158  -5.488
 1091   2HG   PRO1052          HG2       PRO1052  -6.017 -25.495  -3.905
 1092   1HD   PRO1052          HD1       PRO1052  -4.263 -26.664  -5.762
 1093   2HD   PRO1052          HD2       PRO1052  -3.908 -26.317  -4.058
 1094    H    HIS1053           H        HIS1053  -4.747 -29.254  -6.461
 1095    HA   HIS1053           HA       HIS1053  -7.191 -29.675  -8.029
 1096   1HB   HIS1053          HB1       HIS1053  -5.592 -27.928  -8.817
 1097   2HB   HIS1053          HB2       HIS1053  -4.373 -29.180  -9.017
 1098    HD1  HIS1053           HD1      HIS1053  -4.377 -30.450 -11.181
 1099    HD2  HIS1053           HD2      HIS1053  -7.829 -28.193 -10.634
 1100    HE1  HIS1053           HE1      HIS1053  -5.605 -30.542 -13.375
 1101    HE2  HIS1053           HE2      HIS1053  -7.760 -29.295 -12.978
  Start of MODEL   14
    1   1H    ARG 920           H        ARG 920  -8.449 -19.926  -2.384
    2    HA   ARG 920           HA       ARG 920  -8.993 -19.294   0.438
    3   1HB   ARG 920          HB1       ARG 920  -6.581 -19.521  -0.353
    4   2HB   ARG 920          HB2       ARG 920  -6.857 -18.054  -1.286
    5   1HG   ARG 920          HG1       ARG 920  -5.824 -17.369   0.702
    6   2HG   ARG 920          HG2       ARG 920  -7.539 -16.954   0.874
    7   1HD   ARG 920          HD1       ARG 920  -7.849 -19.104   2.115
    8   2HD   ARG 920          HD2       ARG 920  -6.107 -19.337   2.031
    9    HE   ARG 920           HE       ARG 920  -7.272 -17.003   3.396
   10   1HH1  ARG 920          2HH1      ARG 920  -5.164 -19.800   3.374
   11   2HH1  ARG 920          1HH1      ARG 920  -4.540 -19.498   4.964
   12   1HH2  ARG 920          2HH2      ARG 920  -6.467 -16.630   5.507
   13   2HH2  ARG 920          1HH2      ARG 920  -5.282 -17.726   6.173
   14    H    SER 921           H        SER 921 -10.349 -17.708   0.830
   15    HA   SER 921           HA       SER 921 -11.514 -16.165  -1.277
   16   1HB   SER 921          HB1       SER 921 -11.834 -15.877   1.711
   17   2HB   SER 921          HB2       SER 921 -12.947 -15.298   0.471
   18    HG   SER 921           HG       SER 921 -13.795 -17.207   1.107
   19    H    ASN 922           H        ASN 922  -8.783 -15.650  -1.140
   20    HA   ASN 922           HA       ASN 922  -7.152 -14.072  -0.909
   21   1HB   ASN 922          HB1       ASN 922  -8.958 -11.830  -1.451
   22   2HB   ASN 922          HB2       ASN 922  -7.537 -12.369  -2.338
   23   1HD2  ASN 922          2HD2      ASN 922  -7.755 -14.160  -3.752
   24   2HD2  ASN 922          1HD2      ASN 922  -9.267 -14.496  -4.515
   25    H    ASP 923           H        ASP 923  -7.090 -14.444   1.281
   26    HA   ASP 923           HA       ASP 923  -8.537 -13.426   3.334
   27   1HB   ASP 923          HB1       ASP 923  -6.521 -15.119   3.185
   28   2HB   ASP 923          HB2       ASP 923  -5.584 -13.709   3.665
   29    H    LYS 924           H        LYS 924  -7.154 -12.140   5.114
   30    HA   LYS 924           HA       LYS 924  -7.543  -9.454   4.707
   31   1HB   LYS 924          HB1       LYS 924  -6.814 -10.955   6.815
   32   2HB   LYS 924          HB2       LYS 924  -5.270 -10.192   6.472
   33   1HG   LYS 924          HG1       LYS 924  -7.540  -8.346   6.525
   34   2HG   LYS 924          HG2       LYS 924  -7.214  -9.152   8.059
   35   1HD   LYS 924          HD1       LYS 924  -4.922  -8.378   8.016
   36   2HD   LYS 924          HD2       LYS 924  -5.166  -7.659   6.423
   37   1HE   LYS 924          HE1       LYS 924  -5.262  -5.969   8.180
   38   2HE   LYS 924          HE2       LYS 924  -6.812  -6.123   7.351
   39   1HZ   LYS 924          HZ1       LYS 924  -6.111  -7.273  10.002
   40   2HZ   LYS 924          HZ2       LYS 924  -7.136  -5.953   9.717
   41   3HZ   LYS 924          HZ3       LYS 924  -7.591  -7.503   9.202
   42    H    VAL 925           H        VAL 925  -5.059 -11.333   3.381
   43    HA   VAL 925           HA       VAL 925  -3.109  -9.389   2.851
   44    HB   VAL 925           HB       VAL 925  -2.623 -10.911   0.810
   45   1HG1  VAL 925          1HG1      VAL 925  -2.512 -12.004   3.631
   46   2HG1  VAL 925          2HG1      VAL 925  -1.553 -12.587   2.269
   47   3HG1  VAL 925          3HG1      VAL 925  -1.320 -10.946   2.874
   48   1HG2  VAL 925          1HG2      VAL 925  -4.594 -12.652   2.301
   49   2HG2  VAL 925          2HG2      VAL 925  -4.814 -11.977   0.686
   50   3HG2  VAL 925          3HG2      VAL 925  -3.552 -13.173   0.977
   51    H    TYR 926           H        TYR 926  -5.899 -10.524   0.782
   52    HA   TYR 926           HA       TYR 926  -5.164  -8.496  -1.202
   53   1HB   TYR 926          HB1       TYR 926  -6.102 -10.685  -1.874
   54   2HB   TYR 926          HB2       TYR 926  -7.588 -10.330  -1.003
   55    HD1  TYR 926           HD1      TYR 926  -5.439  -8.644  -3.566
   56    HD2  TYR 926           HD2      TYR 926  -9.362  -9.713  -2.316
   57    HE1  TYR 926           HE1      TYR 926  -6.359  -7.614  -5.598
   58    HE2  TYR 926           HE2      TYR 926 -10.295  -8.680  -4.349
   59    HH   TYR 926           HH       TYR 926  -8.357  -7.769  -6.997
   60    H    GLU 927           H        GLU 927  -7.308  -8.975   1.469
   61    HA   GLU 927           HA       GLU 927  -9.189  -6.939   0.999
   62   1HB   GLU 927          HB1       GLU 927  -8.256  -8.307   3.515
   63   2HB   GLU 927          HB2       GLU 927  -9.561  -7.142   3.504
   64   1HG   GLU 927          HG1       GLU 927 -10.687  -8.638   1.791
   65   2HG   GLU 927          HG2       GLU 927  -9.464  -9.840   2.201
   66    H    ASN 928           H        ASN 928  -6.430  -6.950   3.263
   67    HA   ASN 928           HA       ASN 928  -6.926  -4.256   4.049
   68   1HB   ASN 928          HB1       ASN 928  -5.962  -5.967   5.540
   69   2HB   ASN 928          HB2       ASN 928  -4.506  -5.979   4.552
   70   1HD2  ASN 928          2HD2      ASN 928  -3.274  -5.425   6.298
   71   2HD2  ASN 928          1HD2      ASN 928  -3.246  -3.818   6.936
   72    H    VAL 929           H        VAL 929  -4.627  -5.762   1.827
   73    HA   VAL 929           HA       VAL 929  -3.077  -3.506   1.308
   74    HB   VAL 929           HB       VAL 929  -2.539  -5.768   0.456
   75   1HG1  VAL 929          1HG1      VAL 929  -4.707  -5.208  -1.550
   76   2HG1  VAL 929          2HG1      VAL 929  -3.588  -6.571  -1.586
   77   3HG1  VAL 929          3HG1      VAL 929  -4.755  -6.424  -0.272
   78   1HG2  VAL 929          1HG2      VAL 929  -1.646  -5.030  -1.705
   79   2HG2  VAL 929          2HG2      VAL 929  -2.686  -3.607  -1.641
   80   3HG2  VAL 929          3HG2      VAL 929  -1.407  -3.818  -0.445
   81    H    THR 930           H        THR 930  -6.195  -4.486  -0.075
   82    HA   THR 930           HA       THR 930  -6.488  -2.267  -1.807
   83    HB   THR 930           HB       THR 930  -8.667  -3.820  -0.384
   84    HG1  THR 930           HG1      THR 930  -7.618  -5.321  -1.589
   85   1HG2  THR 930          1HG2      THR 930  -8.735  -2.153  -2.902
   86   2HG2  THR 930          2HG2      THR 930 -10.072  -3.116  -2.276
   87   3HG2  THR 930          3HG2      THR 930  -9.475  -1.734  -1.357
   88    H    GLY 931           H        GLY 931  -7.106  -2.849   1.560
   89   1HA   GLY 931          HA1       GLY 931  -8.376  -0.501   2.327
   90   2HA   GLY 931          HA2       GLY 931  -7.290  -1.426   3.352
   91    H    LEU 932           H        LEU 932  -4.917  -1.038   1.694
   92    HA   LEU 932           HA       LEU 932  -4.025   1.484   2.592
   93   1HB   LEU 932          HB1       LEU 932  -2.361  -0.148   2.150
   94   2HB   LEU 932          HB2       LEU 932  -2.975  -0.446   0.534
   95    HG   LEU 932           HG       LEU 932  -2.141   1.741  -0.207
   96   1HD1  LEU 932          1HD1      LEU 932  -1.082   1.993   2.603
   97   2HD1  LEU 932          2HD1      LEU 932  -0.672   3.056   1.255
   98   3HD1  LEU 932          3HD1      LEU 932  -2.330   2.991   1.855
   99   1HD2  LEU 932          1HD2      LEU 932  -0.684  -0.189  -0.416
  100   2HD2  LEU 932          2HD2      LEU 932   0.252   1.262  -0.060
  101   3HD2  LEU 932          3HD2      LEU 932  -0.064   0.083   1.213
  102    H    VAL 933           H        VAL 933  -5.228   0.366  -0.542
  103    HA   VAL 933           HA       VAL 933  -5.011   2.830  -1.891
  104    HB   VAL 933           HB       VAL 933  -7.092   0.696  -2.381
  105   1HG1  VAL 933          1HG1      VAL 933  -5.887   2.772  -4.204
  106   2HG1  VAL 933          2HG1      VAL 933  -7.017   1.511  -4.695
  107   3HG1  VAL 933          3HG1      VAL 933  -7.531   2.766  -3.568
  108   1HG2  VAL 933          1HG2      VAL 933  -4.868  -0.301  -2.317
  109   2HG2  VAL 933          2HG2      VAL 933  -5.497  -0.279  -3.965
  110   3HG2  VAL 933          3HG2      VAL 933  -4.285   0.902  -3.467
  111    H    LYS 934           H        LYS 934  -7.671   1.421  -0.014
  112    HA   LYS 934           HA       LYS 934  -9.498   3.525  -0.365
  113   1HB   LYS 934          HB1       LYS 934  -9.303   1.781   2.092
  114   2HB   LYS 934          HB2       LYS 934 -10.723   2.617   1.494
  115   1HG   LYS 934          HG1       LYS 934  -9.351   0.280   0.181
  116   2HG   LYS 934          HG2       LYS 934 -10.865   0.236   1.076
  117   1HD   LYS 934          HD1       LYS 934 -11.774   0.400  -0.982
  118   2HD   LYS 934          HD2       LYS 934 -11.452   2.122  -0.765
  119   1HE   LYS 934          HE1       LYS 934  -9.427   1.977  -2.018
  120   2HE   LYS 934          HE2       LYS 934  -9.497   0.216  -2.041
  121   1HZ   LYS 934          HZ1       LYS 934 -11.520   0.372  -3.389
  122   2HZ   LYS 934          HZ2       LYS 934 -11.382   2.065  -3.416
  123   3HZ   LYS 934          HZ3       LYS 934 -10.194   1.104  -4.155
  124    H    ALA 935           H        ALA 935  -6.807   3.093   1.807
  125    HA   ALA 935           HA       ALA 935  -7.525   5.285   3.511
  126   1HB   ALA 935          HB1       ALA 935  -4.913   3.815   3.308
  127   2HB   ALA 935          HB2       ALA 935  -5.416   4.896   4.608
  128   3HB   ALA 935          HB3       ALA 935  -6.265   3.373   4.351
  129    H    VAL 936           H        VAL 936  -5.587   4.897   0.610
  130    HA   VAL 936           HA       VAL 936  -4.629   7.594   0.850
  131    HB   VAL 936           HB       VAL 936  -3.236   5.955  -0.306
  132   1HG1  VAL 936          1HG1      VAL 936  -4.951   4.625  -1.402
  133   2HG1  VAL 936          2HG1      VAL 936  -5.374   5.989  -2.438
  134   3HG1  VAL 936          3HG1      VAL 936  -3.790   5.227  -2.585
  135   1HG2  VAL 936          1HG2      VAL 936  -2.941   8.314  -0.786
  136   2HG2  VAL 936          2HG2      VAL 936  -2.605   7.335  -2.213
  137   3HG2  VAL 936          3HG2      VAL 936  -4.128   8.216  -2.087
  138    H    ILE 937           H        ILE 937  -7.479   6.075  -0.135
  139    HA   ILE 937           HA       ILE 937  -8.561   8.286  -1.575
  140    HB   ILE 937           HB       ILE 937  -9.980   6.160   0.049
  141   1HG1  ILE 937          1HG1      ILE 937  -8.768   5.227  -1.848
  142   2HG1  ILE 937          2HG1      ILE 937 -10.500   5.173  -2.156
  143   1HG2  ILE 937          1HG2      ILE 937 -11.372   8.143  -0.163
  144   2HG2  ILE 937          2HG2      ILE 937 -11.121   8.153  -1.908
  145   3HG2  ILE 937          3HG2      ILE 937 -12.009   6.829  -1.153
  146   1HD1  ILE 937          1HD1      ILE 937 -10.307   7.141  -3.580
  147   2HD1  ILE 937          2HD1      ILE 937  -8.573   7.199  -3.266
  148   3HD1  ILE 937          3HD1      ILE 937  -9.266   5.831  -4.139
  149    H    GLU 938           H        GLU 938  -8.408   7.305   1.816
  150    HA   GLU 938           HA       GLU 938  -9.659   9.413   3.084
  151   1HB   GLU 938          HB1       GLU 938  -7.041   8.122   3.899
  152   2HB   GLU 938          HB2       GLU 938  -8.043   9.123   4.941
  153   1HG   GLU 938          HG1       GLU 938  -8.839   6.482   3.733
  154   2HG   GLU 938          HG2       GLU 938  -8.378   6.766   5.412
  155    H    MET 939           H        MET 939  -6.463   9.314   1.619
  156    HA   MET 939           HA       MET 939  -5.513  11.813   2.439
  157   1HB   MET 939          HB1       MET 939  -4.150  10.103   1.257
  158   2HB   MET 939          HB2       MET 939  -5.039  10.443  -0.220
  159   1HG   MET 939          HG1       MET 939  -4.207  12.774  -0.127
  160   2HG   MET 939          HG2       MET 939  -3.233  12.329   1.273
  161   1HE   MET 939          HE1       MET 939  -3.792  11.940  -2.565
  162   2HE   MET 939          HE2       MET 939  -2.645  10.668  -2.989
  163   3HE   MET 939          HE3       MET 939  -4.055  10.291  -1.999
  164    H    SER 940           H        SER 940  -7.432  10.891  -0.397
  165    HA   SER 940           HA       SER 940  -7.704  13.485  -1.462
  166   1HB   SER 940          HB1       SER 940  -9.532  11.092  -1.762
  167   2HB   SER 940          HB2       SER 940  -9.533  12.525  -2.794
  168    HG   SER 940           HG       SER 940  -7.224  11.979  -3.153
  169    H    SER 941           H        SER 941  -9.467  11.807   1.073
  170    HA   SER 941           HA       SER 941 -11.716  13.623   0.988
  171   1HB   SER 941          HB1       SER 941 -10.955  11.655   3.165
  172   2HB   SER 941          HB2       SER 941 -12.539  12.385   2.900
  173    HG   SER 941           HG       SER 941 -11.405  10.947   0.789
  174    H    LYS 942           H        LYS 942  -8.785  13.123   2.740
  175    HA   LYS 942           HA       LYS 942  -9.225  14.963   4.836
  176   1HB   LYS 942          HB1       LYS 942  -7.187  13.119   3.950
  177   2HB   LYS 942          HB2       LYS 942  -6.471  14.631   4.502
  178   1HG   LYS 942          HG1       LYS 942  -8.473  13.058   6.097
  179   2HG   LYS 942          HG2       LYS 942  -6.718  12.885   6.260
  180   1HD   LYS 942          HD1       LYS 942  -6.462  15.106   6.961
  181   2HD   LYS 942          HD2       LYS 942  -8.098  15.538   6.449
  182   1HE   LYS 942          HE1       LYS 942  -7.891  15.318   8.910
  183   2HE   LYS 942          HE2       LYS 942  -9.048  14.182   8.221
  184   1HZ   LYS 942          HZ1       LYS 942  -7.438  12.420   8.409
  185   2HZ   LYS 942          HZ2       LYS 942  -6.238  13.495   8.935
  186   3HZ   LYS 942          HZ3       LYS 942  -7.584  13.185   9.913
  187    H    ILE 943           H        ILE 943  -7.890  15.244   1.610
  188    HA   ILE 943           HA       ILE 943  -6.810  17.850   2.120
  189    HB   ILE 943           HB       ILE 943  -5.843  16.338   0.383
  190   1HG1  ILE 943          1HG1      ILE 943  -6.821  18.991  -0.697
  191   2HG1  ILE 943          2HG1      ILE 943  -5.424  18.776   0.351
  192   1HG2  ILE 943          1HG2      ILE 943  -7.894  15.431  -0.534
  193   2HG2  ILE 943          2HG2      ILE 943  -8.340  17.020  -1.156
  194   3HG2  ILE 943          3HG2      ILE 943  -6.929  16.182  -1.805
  195   1HD1  ILE 943          1HD1      ILE 943  -5.726  17.635  -2.416
  196   2HD1  ILE 943          2HD1      ILE 943  -4.779  19.057  -1.980
  197   3HD1  ILE 943          3HD1      ILE 943  -4.316  17.467  -1.371
  198    H    GLN 944           H        GLN 944  -9.843  16.543   1.163
  199    HA   GLN 944           HA       GLN 944 -11.019  18.652  -0.183
  200   1HB   GLN 944          HB1       GLN 944 -12.224  16.638   1.701
  201   2HB   GLN 944          HB2       GLN 944 -13.192  17.792   0.795
  202   1HG   GLN 944          HG1       GLN 944 -11.350  15.732  -0.401
  203   2HG   GLN 944          HG2       GLN 944 -13.105  15.602  -0.284
  204   1HE2  GLN 944          2HE2      GLN 944 -11.346  15.621  -2.637
  205   2HE2  GLN 944          1HE2      GLN 944 -11.908  16.926  -3.631
  206    HA   PRO 945           HA       PRO 945 -12.677  20.666   3.670
  207   1HB   PRO 945          HB1       PRO 945 -12.160  19.580   6.168
  208   2HB   PRO 945          HB2       PRO 945 -13.540  19.198   5.140
  209   1HG   PRO 945          HG1       PRO 945 -11.387  17.482   5.870
  210   2HG   PRO 945          HG2       PRO 945 -12.727  17.130   4.767
  211   1HD   PRO 945          HD1       PRO 945  -9.947  17.966   4.161
  212   2HD   PRO 945          HD2       PRO 945 -11.085  17.016   3.182
  213    H    ALA 946           H        ALA 946  -9.314  20.155   3.664
  214    HA   ALA 946           HA       ALA 946  -8.973  22.403   5.543
  215   1HB   ALA 946          HB1       ALA 946  -8.415  20.296   6.653
  216   2HB   ALA 946          HB2       ALA 946  -7.216  19.961   5.404
  217   3HB   ALA 946          HB3       ALA 946  -7.005  21.342   6.481
  218    HA   PRO 947           HA       PRO 947  -5.858  23.963   2.598
  219   1HB   PRO 947          HB1       PRO 947  -4.504  25.307   4.793
  220   2HB   PRO 947          HB2       PRO 947  -5.497  26.014   3.518
  221   1HG   PRO 947          HG1       PRO 947  -6.252  25.966   6.125
  222   2HG   PRO 947          HG2       PRO 947  -7.407  25.933   4.779
  223   1HD   PRO 947          HD1       PRO 947  -6.369  23.654   6.435
  224   2HD   PRO 947          HD2       PRO 947  -8.037  24.006   5.927
  225    HA   PRO 948           HA       PRO 948  -2.101  21.775   2.362
  226   1HB   PRO 948          HB1       PRO 948  -0.023  23.418   3.327
  227   2HB   PRO 948          HB2       PRO 948  -0.581  23.269   1.659
  228   1HG   PRO 948          HG1       PRO 948  -1.279  25.302   3.720
  229   2HG   PRO 948          HG2       PRO 948  -1.089  25.491   1.967
  230   1HD   PRO 948          HD1       PRO 948  -3.507  25.468   3.063
  231   2HD   PRO 948          HD2       PRO 948  -3.210  24.626   1.524
  232    H    GLU 949           H        GLU 949  -2.519  23.163   5.516
  233    HA   GLU 949           HA       GLU 949  -0.784  21.492   6.958
  234   1HB   GLU 949          HB1       GLU 949  -3.443  22.676   7.758
  235   2HB   GLU 949          HB2       GLU 949  -2.315  21.913   8.869
  236   1HG   GLU 949          HG1       GLU 949  -0.641  23.609   8.348
  237   2HG   GLU 949          HG2       GLU 949  -1.756  24.367   7.214
  238    H    GLU 950           H        GLU 950  -3.367  20.660   4.980
  239    HA   GLU 950           HA       GLU 950  -3.890  18.185   6.439
  240   1HB   GLU 950          HB1       GLU 950  -5.765  17.878   5.186
  241   2HB   GLU 950          HB2       GLU 950  -5.668  19.631   5.104
  242   1HG   GLU 950          HG1       GLU 950  -4.566  17.806   2.980
  243   2HG   GLU 950          HG2       GLU 950  -6.210  18.424   2.960
  244    H    TYR 951           H        TYR 951  -2.193  19.420   3.642
  245    HA   TYR 951           HA       TYR 951  -1.580  17.250   2.143
  246   1HB   TYR 951          HB1       TYR 951   0.042  19.596   3.005
  247   2HB   TYR 951          HB2       TYR 951   0.902  18.263   2.252
  248    HD1  TYR 951           HD1      TYR 951   0.752  17.843  -0.065
  249    HD2  TYR 951           HD2      TYR 951  -1.663  20.844   1.722
  250    HE1  TYR 951           HE1      TYR 951   0.211  18.717  -2.288
  251    HE2  TYR 951           HE2      TYR 951  -2.218  21.732  -0.494
  252    HH   TYR 951           HH       TYR 951  -1.494  21.727  -2.713
  253    H    VAL 952           H        VAL 952  -0.064  18.153   5.202
  254    HA   VAL 952           HA       VAL 952   1.479  15.753   5.262
  255    HB   VAL 952           HB       VAL 952   2.609  17.131   6.573
  256   1HG1  VAL 952          1HG1      VAL 952   1.223  19.049   6.359
  257   2HG1  VAL 952          2HG1      VAL 952   0.028  18.387   7.475
  258   3HG1  VAL 952          3HG1      VAL 952   1.621  18.863   8.066
  259   1HG2  VAL 952          1HG2      VAL 952   0.693  16.027   8.618
  260   2HG2  VAL 952          2HG2      VAL 952   2.197  15.293   8.061
  261   3HG2  VAL 952          3HG2      VAL 952   2.239  16.790   8.994
  262    HA   PRO 953           HA       PRO 953  -1.701  13.968   8.522
  263   1HB   PRO 953          HB1       PRO 953  -4.105  15.564   7.819
  264   2HB   PRO 953          HB2       PRO 953  -3.578  14.944   9.389
  265   1HG   PRO 953          HG1       PRO 953  -3.293  17.505   8.827
  266   2HG   PRO 953          HG2       PRO 953  -1.994  16.628   9.664
  267   1HD   PRO 953          HD1       PRO 953  -2.200  17.403   6.772
  268   2HD   PRO 953          HD2       PRO 953  -0.806  17.506   7.866
  269    H    MET 954           H        MET 954  -2.982  15.093   5.370
  270    HA   MET 954           HA       MET 954  -4.763  12.913   5.061
  271   1HB   MET 954          HB1       MET 954  -4.959  13.521   2.738
  272   2HB   MET 954          HB2       MET 954  -4.946  14.978   3.714
  273   1HG   MET 954          HG1       MET 954  -2.684  15.455   3.067
  274   2HG   MET 954          HG2       MET 954  -2.557  13.909   2.227
  275   1HE   MET 954          HE1       MET 954  -1.654  15.315   0.092
  276   2HE   MET 954          HE2       MET 954  -2.559  16.643  -0.635
  277   3HE   MET 954          HE3       MET 954  -1.879  16.821   0.983
  278    H    VAL 955           H        VAL 955  -1.501  13.440   3.744
  279    HA   VAL 955           HA       VAL 955  -1.229  10.829   2.771
  280    HB   VAL 955           HB       VAL 955   0.948  12.724   3.673
  281   1HG1  VAL 955          1HG1      VAL 955   1.720  10.401   3.544
  282   2HG1  VAL 955          2HG1      VAL 955   1.105  10.295   1.894
  283   3HG1  VAL 955          3HG1      VAL 955   2.430  11.397   2.273
  284   1HG2  VAL 955          1HG2      VAL 955  -0.468  13.665   1.922
  285   2HG2  VAL 955          2HG2      VAL 955   1.127  13.265   1.283
  286   3HG2  VAL 955          3HG2      VAL 955  -0.247  12.212   0.947
  287    H    LYS 956           H        LYS 956  -0.962  12.148   5.967
  288    HA   LYS 956           HA       LYS 956   0.548  10.063   7.158
  289   1HB   LYS 956          HB1       LYS 956   0.074  12.219   8.284
  290   2HB   LYS 956          HB2       LYS 956  -1.622  11.760   8.407
  291   1HG   LYS 956          HG1       LYS 956  -1.002   9.849   9.806
  292   2HG   LYS 956          HG2       LYS 956   0.693  10.325   9.695
  293   1HD   LYS 956          HD1       LYS 956   0.183  12.433  10.807
  294   2HD   LYS 956          HD2       LYS 956  -1.523  11.987  10.893
  295   1HE   LYS 956          HE1       LYS 956  -0.957  10.068  12.289
  296   2HE   LYS 956          HE2       LYS 956   0.752  10.488  12.186
  297   1HZ   LYS 956          HZ1       LYS 956   0.228  12.604  13.283
  298   2HZ   LYS 956          HZ2       LYS 956  -1.387  12.120  13.449
  299   3HZ   LYS 956          HZ3       LYS 956  -0.163  11.266  14.251
  300    H    GLU 957           H        GLU 957  -2.888  10.532   6.610
  301    HA   GLU 957           HA       GLU 957  -3.945   8.238   7.713
  302   1HB   GLU 957          HB1       GLU 957  -4.784   9.284   4.996
  303   2HB   GLU 957          HB2       GLU 957  -5.777   8.427   6.164
  304   1HG   GLU 957          HG1       GLU 957  -4.602  11.151   6.642
  305   2HG   GLU 957          HG2       GLU 957  -6.213  10.872   5.988
  306    H    VAL 958           H        VAL 958  -2.498   8.621   4.481
  307    HA   VAL 958           HA       VAL 958  -2.705   5.884   3.770
  308    HB   VAL 958           HB       VAL 958  -0.575   7.622   2.616
  309   1HG1  VAL 958          1HG1      VAL 958  -1.310   6.550   0.536
  310   2HG1  VAL 958          2HG1      VAL 958  -0.837   5.379   1.766
  311   3HG1  VAL 958          3HG1      VAL 958  -2.545   5.674   1.440
  312   1HG2  VAL 958          1HG2      VAL 958  -3.526   8.060   2.313
  313   2HG2  VAL 958          2HG2      VAL 958  -2.286   9.226   2.752
  314   3HG2  VAL 958          3HG2      VAL 958  -2.357   8.600   1.107
  315    H    GLY 959           H        GLY 959  -0.414   7.618   5.738
  316   1HA   GLY 959          HA1       GLY 959   1.787   5.847   5.291
  317   2HA   GLY 959          HA2       GLY 959   1.643   6.999   6.607
  318    H    LEU 960           H        LEU 960  -0.476   6.186   8.009
  319    HA   LEU 960           HA       LEU 960   0.195   3.758   9.249
  320   1HB   LEU 960          HB1       LEU 960  -2.331   5.390   9.275
  321   2HB   LEU 960          HB2       LEU 960  -2.205   3.883  10.159
  322    HG   LEU 960           HG       LEU 960  -1.817   5.670  11.691
  323   1HD1  LEU 960          1HD1      LEU 960   0.423   5.164  12.505
  324   2HD1  LEU 960          2HD1      LEU 960  -0.432   3.704  12.004
  325   3HD1  LEU 960          3HD1      LEU 960   0.812   4.398  10.963
  326   1HD2  LEU 960          1HD2      LEU 960  -0.021   7.305  11.403
  327   2HD2  LEU 960          2HD2      LEU 960   0.318   6.648   9.802
  328   3HD2  LEU 960          3HD2      LEU 960  -1.231   7.429  10.126
  329    H    ALA 961           H        ALA 961  -1.609   4.423   6.436
  330    HA   ALA 961           HA       ALA 961  -3.182   2.114   6.264
  331   1HB   ALA 961          HB1       ALA 961  -3.335   2.554   3.892
  332   2HB   ALA 961          HB2       ALA 961  -3.477   4.054   4.812
  333   3HB   ALA 961          HB3       ALA 961  -1.967   3.661   3.990
  334    H    LEU 962           H        LEU 962   0.034   2.671   4.653
  335    HA   LEU 962           HA       LEU 962   0.183  -0.079   3.957
  336   1HB   LEU 962          HB1       LEU 962   1.353   1.616   2.628
  337   2HB   LEU 962          HB2       LEU 962   2.362   2.013   4.016
  338    HG   LEU 962           HG       LEU 962   2.431  -0.812   3.122
  339   1HD1  LEU 962          1HD1      LEU 962   3.993  -0.307   1.312
  340   2HD1  LEU 962          2HD1      LEU 962   2.394   0.363   0.989
  341   3HD1  LEU 962          3HD1      LEU 962   3.697   1.416   1.536
  342   1HD2  LEU 962          1HD2      LEU 962   3.806   0.018   4.979
  343   2HD2  LEU 962          2HD2      LEU 962   4.795  -0.559   3.637
  344   3HD2  LEU 962          3HD2      LEU 962   4.571   1.173   3.888
  345    H    ARG 963           H        ARG 963   1.278   1.778   6.770
  346    HA   ARG 963           HA       ARG 963   2.759  -0.150   8.084
  347   1HB   ARG 963          HB1       ARG 963   1.890   2.287   8.753
  348   2HB   ARG 963          HB2       ARG 963   0.690   1.353   9.628
  349   1HG   ARG 963          HG1       ARG 963   3.676   1.151   9.983
  350   2HG   ARG 963          HG2       ARG 963   2.560   1.996  11.052
  351   1HD   ARG 963          HD1       ARG 963   2.594  -0.964  10.485
  352   2HD   ARG 963          HD2       ARG 963   3.171  -0.181  11.953
  353    HE   ARG 963           HE       ARG 963   0.549   0.603  11.727
  354   1HH1  ARG 963          2HH1      ARG 963   2.259  -2.440  11.905
  355   2HH1  ARG 963          1HH1      ARG 963   0.944  -3.291  12.660
  356   1HH2  ARG 963          2HH2      ARG 963  -1.186  -0.494  12.720
  357   2HH2  ARG 963          1HH2      ARG 963  -1.024  -2.178  13.138
  358    H    THR 964           H        THR 964  -0.763   0.342   8.359
  359    HA   THR 964           HA       THR 964  -1.451  -2.000   9.657
  360    HB   THR 964           HB       THR 964  -3.079  -0.760   7.430
  361    HG1  THR 964           HG1      THR 964  -2.614   0.880   8.865
  362   1HG2  THR 964          1HG2      THR 964  -3.942  -2.906   8.207
  363   2HG2  THR 964          2HG2      THR 964  -3.881  -2.339   9.876
  364   3HG2  THR 964          3HG2      THR 964  -4.993  -1.590   8.730
  365    H    LEU 965           H        LEU 965  -0.808  -1.494   6.243
  366    HA   LEU 965           HA       LEU 965  -1.559  -4.048   5.300
  367   1HB   LEU 965          HB1       LEU 965  -0.622  -1.695   4.185
  368   2HB   LEU 965          HB2       LEU 965   0.676  -2.833   3.881
  369    HG   LEU 965           HG       LEU 965  -2.190  -3.062   2.988
  370   1HD1  LEU 965          1HD1      LEU 965   0.400  -2.786   1.481
  371   2HD1  LEU 965          2HD1      LEU 965  -1.195  -2.996   0.758
  372   3HD1  LEU 965          3HD1      LEU 965  -0.831  -1.539   1.684
  373   1HD2  LEU 965          1HD2      LEU 965  -1.516  -5.146   1.889
  374   2HD2  LEU 965          2HD2      LEU 965   0.063  -5.041   2.668
  375   3HD2  LEU 965          3HD2      LEU 965  -1.390  -5.263   3.644
  376    H    LEU 966           H        LEU 966   1.280  -2.810   6.819
  377    HA   LEU 966           HA       LEU 966   3.093  -4.883   6.180
  378   1HB   LEU 966          HB1       LEU 966   3.729  -2.672   7.112
  379   2HB   LEU 966          HB2       LEU 966   3.064  -3.161   8.658
  380    HG   LEU 966           HG       LEU 966   4.748  -4.940   8.829
  381   1HD1  LEU 966          1HD1      LEU 966   5.044  -5.384   6.444
  382   2HD1  LEU 966          2HD1      LEU 966   5.815  -3.810   6.244
  383   3HD1  LEU 966          3HD1      LEU 966   6.587  -5.051   7.231
  384   1HD2  LEU 966          1HD2      LEU 966   5.912  -2.222   8.224
  385   2HD2  LEU 966          2HD2      LEU 966   5.221  -2.733   9.764
  386   3HD2  LEU 966          3HD2      LEU 966   6.692  -3.498   9.160
  387    H    ALA 967           H        ALA 967   0.664  -4.555   8.707
  388    HA   ALA 967           HA       ALA 967   1.288  -6.915  10.142
  389   1HB   ALA 967          HB1       ALA 967  -1.406  -5.616   9.727
  390   2HB   ALA 967          HB2       ALA 967  -1.017  -6.818  10.958
  391   3HB   ALA 967          HB3       ALA 967  -0.256  -5.228  11.006
  392    H    THR 968           H        THR 968  -0.696  -6.285   7.320
  393    HA   THR 968           HA       THR 968  -1.601  -8.919   6.854
  394    HB   THR 968           HB       THR 968  -1.198  -6.532   5.078
  395    HG1  THR 968           HG1      THR 968  -3.631  -7.817   5.192
  396   1HG2  THR 968          1HG2      THR 968  -2.195  -7.753   3.222
  397   2HG2  THR 968          2HG2      THR 968  -0.666  -8.490   3.704
  398   3HG2  THR 968          3HG2      THR 968  -2.195  -9.234   4.179
  399    H    VAL 969           H        VAL 969   1.297  -7.190   5.814
  400    HA   VAL 969           HA       VAL 969   2.501  -9.138   4.289
  401    HB   VAL 969           HB       VAL 969   3.868  -7.240   6.203
  402   1HG1  VAL 969          1HG1      VAL 969   5.850  -7.546   4.777
  403   2HG1  VAL 969          2HG1      VAL 969   5.379  -9.040   5.587
  404   3HG1  VAL 969          3HG1      VAL 969   4.996  -8.802   3.882
  405   1HG2  VAL 969          1HG2      VAL 969   2.431  -6.176   4.506
  406   2HG2  VAL 969          2HG2      VAL 969   4.140  -5.805   4.272
  407   3HG2  VAL 969          3HG2      VAL 969   3.344  -6.998   3.242
  408    H    ASP 970           H        ASP 970   2.234  -9.014   7.801
  409    HA   ASP 970           HA       ASP 970   3.988 -11.235   8.255
  410   1HB   ASP 970          HB1       ASP 970   2.132  -9.616   9.913
  411   2HB   ASP 970          HB2       ASP 970   2.475 -11.243  10.482
  412    H    GLU 971           H        GLU 971   0.638 -10.940   7.452
  413    HA   GLU 971           HA       GLU 971  -0.104 -13.648   7.985
  414   1HB   GLU 971          HB1       GLU 971  -1.127 -11.880   5.746
  415   2HB   GLU 971          HB2       GLU 971  -1.944 -13.270   6.446
  416   1HG   GLU 971          HG1       GLU 971  -1.250 -10.829   8.042
  417   2HG   GLU 971          HG2       GLU 971  -2.762 -10.986   7.145
  418    H    SER 972           H        SER 972   0.943 -12.001   5.053
  419    HA   SER 972           HA       SER 972   1.282 -14.312   3.509
  420   1HB   SER 972          HB1       SER 972   2.623 -12.677   2.070
  421   2HB   SER 972          HB2       SER 972   0.916 -12.309   2.356
  422    HG   SER 972           HG       SER 972   2.967 -11.271   4.014
  423    H    LEU 973           H        LEU 973   3.273 -12.809   5.909
  424    HA   LEU 973           HA       LEU 973   5.809 -13.594   5.092
  425   1HB   LEU 973          HB1       LEU 973   5.355 -12.084   6.994
  426   2HB   LEU 973          HB2       LEU 973   4.817 -13.459   7.939
  427    HG   LEU 973           HG       LEU 973   7.075 -14.436   7.798
  428   1HD1  LEU 973          1HD1      LEU 973   8.926 -13.050   6.959
  429   2HD1  LEU 973          2HD1      LEU 973   7.796 -13.504   5.683
  430   3HD1  LEU 973          3HD1      LEU 973   7.756 -11.874   6.362
  431   1HD2  LEU 973          1HD2      LEU 973   6.457 -13.000   9.685
  432   2HD2  LEU 973          2HD2      LEU 973   8.171 -12.869   9.294
  433   3HD2  LEU 973          3HD2      LEU 973   7.053 -11.595   8.805
  434    HA   PRO 974           HA       PRO 974   5.218 -17.959   7.208
  435   1HB   PRO 974          HB1       PRO 974   2.253 -18.093   7.267
  436   2HB   PRO 974          HB2       PRO 974   3.432 -18.737   8.417
  437   1HG   PRO 974          HG1       PRO 974   2.001 -16.575   9.011
  438   2HG   PRO 974          HG2       PRO 974   3.708 -16.695   9.476
  439   1HD   PRO 974          HD1       PRO 974   2.465 -15.184   7.213
  440   2HD   PRO 974          HD2       PRO 974   3.777 -14.698   8.305
  441    H    VAL 975           H        VAL 975   2.989 -16.433   4.975
  442    HA   VAL 975           HA       VAL 975   2.760 -18.745   3.251
  443    HB   VAL 975           HB       VAL 975   2.295 -15.851   2.522
  444   1HG1  VAL 975          1HG1      VAL 975   0.835 -16.773   0.792
  445   2HG1  VAL 975          2HG1      VAL 975   2.495 -17.339   0.603
  446   3HG1  VAL 975          3HG1      VAL 975   1.272 -18.406   1.293
  447   1HG2  VAL 975          1HG2      VAL 975   0.370 -17.887   3.642
  448   2HG2  VAL 975          2HG2      VAL 975   0.943 -16.431   4.452
  449   3HG2  VAL 975          3HG2      VAL 975  -0.077 -16.300   3.018
  450    H    LEU 976           H        LEU 976   5.232 -16.494   3.847
  451    HA   LEU 976           HA       LEU 976   6.457 -16.511   1.286
  452   1HB   LEU 976          HB1       LEU 976   7.019 -14.697   2.621
  453   2HB   LEU 976          HB2       LEU 976   7.386 -15.691   4.016
  454    HG   LEU 976           HG       LEU 976   9.139 -15.902   1.593
  455   1HD1  LEU 976          1HD1      LEU 976  10.498 -14.032   2.437
  456   2HD1  LEU 976          2HD1      LEU 976   8.904 -13.505   1.898
  457   3HD1  LEU 976          3HD1      LEU 976   9.243 -13.670   3.621
  458   1HD2  LEU 976          1HD2      LEU 976   9.689 -15.966   4.560
  459   2HD2  LEU 976          2HD2      LEU 976   9.504 -17.379   3.520
  460   3HD2  LEU 976          3HD2      LEU 976  10.859 -16.275   3.277
  461    HA   PRO 977           HA       PRO 977   9.243 -20.104   3.016
  462   1HB   PRO 977          HB1       PRO 977   7.481 -21.180   5.144
  463   2HB   PRO 977          HB2       PRO 977   9.241 -21.026   5.113
  464   1HG   PRO 977          HG1       PRO 977   7.751 -19.407   6.619
  465   2HG   PRO 977          HG2       PRO 977   9.195 -18.813   5.777
  466   1HD   PRO 977          HD1       PRO 977   6.309 -18.490   5.052
  467   2HD   PRO 977          HD2       PRO 977   7.634 -17.313   4.953
  468    H    ALA 978           H        ALA 978   5.744 -20.050   3.090
  469    HA   ALA 978           HA       ALA 978   5.335 -22.634   2.010
  470   1HB   ALA 978          HB1       ALA 978   3.558 -20.209   1.804
  471   2HB   ALA 978          HB2       ALA 978   3.075 -21.883   1.535
  472   3HB   ALA 978          HB3       ALA 978   3.572 -21.355   3.143
  473    H    SER 979           H        SER 979   5.038 -19.443   0.363
  474    HA   SER 979           HA       SER 979   6.247 -20.450  -2.041
  475   1HB   SER 979          HB1       SER 979   3.248 -20.224  -1.849
  476   2HB   SER 979          HB2       SER 979   4.091 -20.126  -3.400
  477    HG   SER 979           HG       SER 979   4.815 -22.249  -1.766
  478    H    THR 980           H        THR 980   4.382 -17.910  -0.470
  479    HA   THR 980           HA       THR 980   4.306 -16.104  -2.609
  480    HB   THR 980           HB       THR 980   2.960 -16.053  -0.389
  481    HG1  THR 980           HG1      THR 980   3.165 -13.506  -0.854
  482   1HG2  THR 980          1HG2      THR 980   4.909 -15.676   1.082
  483   2HG2  THR 980          2HG2      THR 980   5.211 -14.145   0.261
  484   3HG2  THR 980          3HG2      THR 980   3.728 -14.369   1.189
  485    H    HIS 981           H        HIS 981   7.029 -16.948  -0.811
  486    HA   HIS 981           HA       HIS 981   8.313 -14.596  -0.221
  487   1HB   HIS 981          HB1       HIS 981  10.450 -15.810  -0.381
  488   2HB   HIS 981          HB2       HIS 981   9.228 -16.707   0.503
  489    HD1  HIS 981           HD1      HIS 981   8.863 -19.055  -0.199
  490    HD2  HIS 981           HD2      HIS 981  10.891 -16.853  -3.085
  491    HE1  HIS 981           HE1      HIS 981   9.554 -20.717  -1.960
  492    HE2  HIS 981           HE2      HIS 981  10.990 -19.397  -3.556
  493    H    ARG 982           H        ARG 982   7.712 -15.769  -3.385
  494    HA   ARG 982           HA       ARG 982   9.818 -14.267  -4.654
  495   1HB   ARG 982          HB1       ARG 982   8.874 -16.166  -5.833
  496   2HB   ARG 982          HB2       ARG 982   7.276 -15.437  -5.796
  497   1HG   ARG 982          HG1       ARG 982   8.149 -15.161  -7.988
  498   2HG   ARG 982          HG2       ARG 982   8.164 -13.582  -7.209
  499   1HD   ARG 982          HD1       ARG 982  10.568 -15.395  -7.390
  500   2HD   ARG 982          HD2       ARG 982  10.211 -14.122  -8.550
  501    HE   ARG 982           HE       ARG 982  10.983 -13.734  -5.734
  502   1HH1  ARG 982          2HH1      ARG 982  10.449 -12.412  -8.954
  503   2HH1  ARG 982          1HH1      ARG 982  11.196 -10.888  -8.569
  504   1HH2  ARG 982          2HH2      ARG 982  11.940 -11.732  -5.255
  505   2HH2  ARG 982          1HH2      ARG 982  12.029 -10.495  -6.481
  506    H    GLU 983           H        GLU 983   6.263 -13.755  -4.395
  507    HA   GLU 983           HA       GLU 983   6.508 -11.097  -5.410
  508   1HB   GLU 983          HB1       GLU 983   4.269 -12.754  -4.514
  509   2HB   GLU 983          HB2       GLU 983   4.085 -11.048  -4.202
  510   1HG   GLU 983          HG1       GLU 983   3.149 -11.348  -6.280
  511   2HG   GLU 983          HG2       GLU 983   4.750 -10.666  -6.583
  512    H    ILE 984           H        ILE 984   6.069 -12.421  -2.164
  513    HA   ILE 984           HA       ILE 984   5.401 -10.004  -0.940
  514    HB   ILE 984           HB       ILE 984   5.167 -12.231   0.130
  515   1HG1  ILE 984          1HG1      ILE 984   5.749 -11.471   2.407
  516   2HG1  ILE 984          2HG1      ILE 984   6.751 -10.195   1.724
  517   1HG2  ILE 984          1HG2      ILE 984   7.344 -13.156  -0.459
  518   2HG2  ILE 984          2HG2      ILE 984   8.141 -11.982   0.590
  519   3HG2  ILE 984          3HG2      ILE 984   7.086 -13.214   1.285
  520   1HD1  ILE 984          1HD1      ILE 984   3.768 -10.468   1.425
  521   2HD1  ILE 984          2HD1      ILE 984   4.623  -9.313   2.449
  522   3HD1  ILE 984          3HD1      ILE 984   4.760  -9.206   0.694
  523    H    GLU 985           H        GLU 985   8.470 -11.343  -1.864
  524    HA   GLU 985           HA       GLU 985  10.056  -9.309  -0.668
  525   1HB   GLU 985          HB1       GLU 985  10.551 -11.365  -2.800
  526   2HB   GLU 985          HB2       GLU 985  11.752 -10.135  -2.425
  527   1HG   GLU 985          HG1       GLU 985  10.586 -11.926  -0.321
  528   2HG   GLU 985          HG2       GLU 985  11.995 -12.382  -1.279
  529    H    MET 986           H        MET 986   8.564  -9.712  -3.907
  530    HA   MET 986           HA       MET 986  10.155  -7.721  -5.096
  531   1HB   MET 986          HB1       MET 986   8.772  -7.823  -7.027
  532   2HB   MET 986          HB2       MET 986   8.997  -9.449  -6.412
  533   1HG   MET 986          HG1       MET 986   6.788  -9.546  -5.596
  534   2HG   MET 986          HG2       MET 986   6.554  -7.812  -5.822
  535   1HE   MET 986          HE1       MET 986   8.399 -10.189  -8.302
  536   2HE   MET 986          HE2       MET 986   7.134 -11.253  -7.685
  537   3HE   MET 986          HE3       MET 986   7.095 -10.716  -9.365
  538    H    ALA 987           H        ALA 987   6.787  -7.535  -3.962
  539    HA   ALA 987           HA       ALA 987   6.625  -4.767  -4.604
  540   1HB   ALA 987          HB1       ALA 987   4.653  -6.206  -4.660
  541   2HB   ALA 987          HB2       ALA 987   4.777  -6.434  -2.915
  542   3HB   ALA 987          HB3       ALA 987   4.437  -4.833  -3.573
  543    H    GLN 988           H        GLN 988   7.297  -6.631  -1.679
  544    HA   GLN 988           HA       GLN 988   6.843  -4.565   0.138
  545   1HB   GLN 988          HB1       GLN 988   7.136  -6.843   0.897
  546   2HB   GLN 988          HB2       GLN 988   8.797  -6.864   0.328
  547   1HG   GLN 988          HG1       GLN 988   8.735  -6.629   2.725
  548   2HG   GLN 988          HG2       GLN 988   9.381  -5.165   1.990
  549   1HE2  GLN 988          2HE2      GLN 988   6.696  -6.578   3.676
  550   2HE2  GLN 988          1HE2      GLN 988   5.930  -5.093   4.112
  551    H    LYS 989           H        LYS 989   9.829  -5.363  -1.670
  552    HA   LYS 989           HA       LYS 989  11.462  -3.396  -0.472
  553   1HB   LYS 989          HB1       LYS 989  11.618  -4.103  -3.399
  554   2HB   LYS 989          HB2       LYS 989  12.920  -3.594  -2.339
  555   1HG   LYS 989          HG1       LYS 989  11.506  -6.245  -2.318
  556   2HG   LYS 989          HG2       LYS 989  13.148  -5.923  -2.865
  557   1HD   LYS 989          HD1       LYS 989  13.758  -5.268  -0.571
  558   2HD   LYS 989          HD2       LYS 989  12.119  -5.660  -0.042
  559   1HE   LYS 989          HE1       LYS 989  12.479  -7.978  -0.907
  560   2HE   LYS 989          HE2       LYS 989  14.161  -7.549  -1.212
  561   1HZ   LYS 989          HZ1       LYS 989  14.333  -7.016   1.199
  562   2HZ   LYS 989          HZ2       LYS 989  12.781  -7.667   1.408
  563   3HZ   LYS 989          HZ3       LYS 989  14.043  -8.654   0.864
  564    H    LEU 990           H        LEU 990   9.249  -3.376  -3.179
  565    HA   LEU 990           HA       LEU 990   9.627  -0.703  -3.990
  566   1HB   LEU 990          HB1       LEU 990   8.592  -1.743  -5.672
  567   2HB   LEU 990          HB2       LEU 990   7.951  -2.981  -4.616
  568    HG   LEU 990           HG       LEU 990   6.116  -1.372  -4.009
  569   1HD1  LEU 990          1HD1      LEU 990   5.673   0.431  -5.639
  570   2HD1  LEU 990          2HD1      LEU 990   7.170   0.702  -4.745
  571   3HD1  LEU 990          3HD1      LEU 990   7.229   0.104  -6.404
  572   1HD2  LEU 990          1HD2      LEU 990   4.870  -1.808  -6.085
  573   2HD2  LEU 990          2HD2      LEU 990   6.376  -2.298  -6.862
  574   3HD2  LEU 990          3HD2      LEU 990   5.746  -3.223  -5.499
  575    H    LEU 991           H        LEU 991   7.419  -2.192  -1.656
  576    HA   LEU 991           HA       LEU 991   5.747   0.025  -1.168
  577   1HB   LEU 991          HB1       LEU 991   6.617  -2.016   0.875
  578   2HB   LEU 991          HB2       LEU 991   5.158  -1.048   0.902
  579    HG   LEU 991           HG       LEU 991   5.707  -3.091  -1.225
  580   1HD1  LEU 991          1HD1      LEU 991   5.721  -4.203   0.942
  581   2HD1  LEU 991          2HD1      LEU 991   4.204  -3.412   1.374
  582   3HD1  LEU 991          3HD1      LEU 991   4.241  -4.590   0.063
  583   1HD2  LEU 991          1HD2      LEU 991   3.176  -1.770  -0.257
  584   2HD2  LEU 991          2HD2      LEU 991   4.029  -1.407  -1.757
  585   3HD2  LEU 991          3HD2      LEU 991   3.285  -2.988  -1.527
  586    H    ASN 992           H        ASN 992   8.727  -1.088   0.347
  587    HA   ASN 992           HA       ASN 992   8.854   0.761   2.424
  588   1HB   ASN 992          HB1       ASN 992  10.259  -1.259   2.291
  589   2HB   ASN 992          HB2       ASN 992  11.133  -0.555   0.934
  590   1HD2  ASN 992          2HD2      ASN 992  10.055   1.275   3.724
  591   2HD2  ASN 992          1HD2      ASN 992  11.629   1.600   4.361
  592    H    SER 993           H        SER 993  10.171   0.907  -0.865
  593    HA   SER 993           HA       SER 993  11.466   3.397  -0.449
  594   1HB   SER 993          HB1       SER 993  11.536   3.356  -3.030
  595   2HB   SER 993          HB2       SER 993  12.386   2.083  -2.156
  596    HG   SER 993           HG       SER 993   9.855   1.927  -3.447
  597    H    ASP 994           H        ASP 994   8.248   2.496  -1.601
  598    HA   ASP 994           HA       ASP 994   7.912   5.178  -2.691
  599   1HB   ASP 994          HB1       ASP 994   6.354   2.638  -3.029
  600   2HB   ASP 994          HB2       ASP 994   5.708   4.190  -3.556
  601    H    LEU 995           H        LEU 995   6.242   3.116  -0.257
  602    HA   LEU 995           HA       LEU 995   4.480   5.115   0.642
  603   1HB   LEU 995          HB1       LEU 995   4.144   2.876   1.418
  604   2HB   LEU 995          HB2       LEU 995   5.761   2.782   2.078
  605    HG   LEU 995           HG       LEU 995   3.832   2.933   3.711
  606   1HD1  LEU 995          1HD1      LEU 995   5.008   4.404   5.264
  607   2HD1  LEU 995          2HD1      LEU 995   6.112   3.311   4.431
  608   3HD1  LEU 995          3HD1      LEU 995   6.006   5.001   3.939
  609   1HD2  LEU 995          1HD2      LEU 995   2.497   4.603   2.617
  610   2HD2  LEU 995          2HD2      LEU 995   2.992   5.189   4.204
  611   3HD2  LEU 995          3HD2      LEU 995   3.798   5.786   2.755
  612    H    ALA 996           H        ALA 996   7.821   4.428   1.438
  613    HA   ALA 996           HA       ALA 996   8.146   6.283   3.505
  614   1HB   ALA 996          HB1       ALA 996  10.533   6.232   3.075
  615   2HB   ALA 996          HB2       ALA 996   9.856   4.607   2.972
  616   3HB   ALA 996          HB3       ALA 996  10.248   5.494   1.499
  617    H    GLU 997           H        GLU 997   8.830   6.766   0.023
  618    HA   GLU 997           HA       GLU 997   9.310   9.508   0.449
  619   1HB   GLU 997          HB1       GLU 997   9.100   9.751  -2.023
  620   2HB   GLU 997          HB2       GLU 997  10.283   8.573  -1.484
  621   1HG   GLU 997          HG1       GLU 997   8.590   6.799  -1.936
  622   2HG   GLU 997          HG2       GLU 997   7.576   8.047  -2.666
  623    H    LEU 998           H        LEU 998   6.400   7.680  -0.091
  624    HA   LEU 998           HA       LEU 998   4.658   9.763  -0.781
  625   1HB   LEU 998          HB1       LEU 998   3.913   7.451  -0.771
  626   2HB   LEU 998          HB2       LEU 998   4.145   7.356   0.967
  627    HG   LEU 998           HG       LEU 998   2.423   9.494   0.687
  628   1HD1  LEU 998          1HD1      LEU 998   0.607   8.709  -0.728
  629   2HD1  LEU 998          2HD1      LEU 998   2.075   8.997  -1.663
  630   3HD1  LEU 998          3HD1      LEU 998   1.598   7.350  -1.255
  631   1HD2  LEU 998          1HD2      LEU 998   1.784   6.598   1.217
  632   2HD2  LEU 998          2HD2      LEU 998   2.305   7.793   2.404
  633   3HD2  LEU 998          3HD2      LEU 998   0.743   7.967   1.606
  634    H    ILE 999           H        ILE 999   5.621   8.600   2.468
  635    HA   ILE 999           HA       ILE 999   4.116  10.653   3.778
  636    HB   ILE 999           HB       ILE 999   5.286   9.958   5.852
  637   1HG1  ILE 999          1HG1      ILE 999   6.655   7.964   4.034
  638   2HG1  ILE 999          2HG1      ILE 999   7.437   9.316   4.846
  639   1HG2  ILE 999          1HG2      ILE 999   3.210   8.888   5.124
  640   2HG2  ILE 999          2HG2      ILE 999   4.141   7.695   4.219
  641   3HG2  ILE 999          3HG2      ILE 999   4.258   7.753   5.977
  642   1HD1  ILE 999          1HD1      ILE 999   7.874   7.244   6.006
  643   2HD1  ILE 999          2HD1      ILE 999   6.891   8.310   7.010
  644   3HD1  ILE 999          3HD1      ILE 999   6.144   6.948   6.176
  645    H    ASN1000           H        ASN1000   7.380  10.454   2.565
  646    HA   ASN1000           HA       ASN1000   8.082  13.018   3.788
  647   1HB   ASN1000          HB1       ASN1000   9.531  11.238   1.807
  648   2HB   ASN1000          HB2       ASN1000  10.141  12.804   2.331
  649   1HD2  ASN1000          2HD2      ASN1000   9.588   9.506   3.205
  650   2HD2  ASN1000          1HD2      ASN1000  10.468   9.543   4.689
  651    H    LYS1001           H        LYS1001   6.197  12.033   1.259
  652    HA   LYS1001           HA       LYS1001   6.680  14.314  -0.424
  653   1HB   LYS1001          HB1       LYS1001   5.764  12.255  -1.379
  654   2HB   LYS1001          HB2       LYS1001   4.365  12.369  -0.322
  655   1HG   LYS1001          HG1       LYS1001   3.839  14.559  -1.439
  656   2HG   LYS1001          HG2       LYS1001   5.096  14.166  -2.613
  657   1HD   LYS1001          HD1       LYS1001   3.091  13.440  -3.601
  658   2HD   LYS1001          HD2       LYS1001   3.853  11.976  -2.980
  659   1HE   LYS1001          HE1       LYS1001   1.764  13.509  -1.443
  660   2HE   LYS1001          HE2       LYS1001   1.361  12.220  -2.575
  661   1HZ   LYS1001          HZ1       LYS1001   1.470  11.418  -0.304
  662   2HZ   LYS1001          HZ2       LYS1001   2.669  10.694  -1.249
  663   3HZ   LYS1001          HZ3       LYS1001   3.079  11.928  -0.169
  664    H    MET1002           H        MET1002   4.405  13.379   2.114
  665    HA   MET1002           HA       MET1002   3.008  15.873   2.052
  666   1HB   MET1002          HB1       MET1002   2.012  15.195   4.160
  667   2HB   MET1002          HB2       MET1002   1.937  13.879   3.005
  668   1HG   MET1002          HG1       MET1002   2.533  12.764   4.904
  669   2HG   MET1002          HG2       MET1002   4.119  13.091   4.209
  670   1HE   MET1002          HE1       MET1002   3.443  12.324   7.324
  671   2HE   MET1002          HE2       MET1002   5.072  12.480   6.664
  672   3HE   MET1002          HE3       MET1002   4.621  13.361   8.125
  673    H    LYS1003           H        LYS1003   5.644  14.429   3.836
  674    HA   LYS1003           HA       LYS1003   6.344  16.544   5.475
  675   1HB   LYS1003          HB1       LYS1003   7.410  14.295   5.478
  676   2HB   LYS1003          HB2       LYS1003   8.174  14.676   3.945
  677   1HG   LYS1003          HG1       LYS1003   9.833  14.991   5.556
  678   2HG   LYS1003          HG2       LYS1003   9.280  16.616   5.150
  679   1HD   LYS1003          HD1       LYS1003   7.975  16.749   7.145
  680   2HD   LYS1003          HD2       LYS1003   8.257  15.043   7.506
  681   1HE   LYS1003          HE1       LYS1003  10.657  15.516   7.756
  682   2HE   LYS1003          HE2       LYS1003  10.344  17.222   7.437
  683   1HZ   LYS1003          HZ1       LYS1003   9.222  15.670   9.709
  684   2HZ   LYS1003          HZ2       LYS1003  10.529  16.748   9.808
  685   3HZ   LYS1003          HZ3       LYS1003   8.983  17.323   9.409
  686    H    LEU1004           H        LEU1004   7.645  15.768   2.264
  687    HA   LEU1004           HA       LEU1004   9.006  18.068   1.726
  688   1HB   LEU1004          HB1       LEU1004   8.691  15.818   0.419
  689   2HB   LEU1004          HB2       LEU1004   7.498  16.739  -0.473
  690    HG   LEU1004           HG       LEU1004   9.259  18.382  -1.064
  691   1HD1  LEU1004          1HD1      LEU1004  10.767  18.037   0.801
  692   2HD1  LEU1004          2HD1      LEU1004  11.085  16.387   0.267
  693   3HD1  LEU1004          3HD1      LEU1004  11.608  17.750  -0.723
  694   1HD2  LEU1004          1HD2      LEU1004  10.389  16.953  -2.696
  695   2HD2  LEU1004          2HD2      LEU1004   9.845  15.522  -1.820
  696   3HD2  LEU1004          3HD2      LEU1004   8.667  16.580  -2.599
  697    H    ALA1005           H        ALA1005   5.637  17.462   0.654
  698    HA   ALA1005           HA       ALA1005   5.297  19.908  -0.649
  699   1HB   ALA1005          HB1       ALA1005   3.757  18.037  -0.923
  700   2HB   ALA1005          HB2       ALA1005   3.203  18.235   0.739
  701   3HB   ALA1005          HB3       ALA1005   2.892  19.499  -0.452
  702    H    GLN1006           H        GLN1006   4.513  18.995   2.686
  703    HA   GLN1006           HA       GLN1006   3.679  21.644   3.389
  704   1HB   GLN1006          HB1       GLN1006   2.929  20.669   5.290
  705   2HB   GLN1006          HB2       GLN1006   3.181  19.189   4.375
  706   1HG   GLN1006          HG1       GLN1006   4.394  18.498   6.096
  707   2HG   GLN1006          HG2       GLN1006   5.636  19.615   5.533
  708   1HE2  GLN1006          2HE2      GLN1006   6.413  19.957   7.620
  709   2HE2  GLN1006          1HE2      GLN1006   5.547  20.895   8.786
  710    H    GLN1007           H        GLN1007   6.640  20.095   3.014
  711    HA   GLN1007           HA       GLN1007   8.164  21.590   4.924
  712   1HB   GLN1007          HB1       GLN1007   8.554  19.260   3.599
  713   2HB   GLN1007          HB2       GLN1007   9.466  20.357   2.574
  714   1HG   GLN1007          HG1       GLN1007  10.853  19.255   4.242
  715   2HG   GLN1007          HG2       GLN1007  10.843  21.011   4.457
  716   1HE2  GLN1007          2HE2      GLN1007   8.133  18.982   5.376
  717   2HE2  GLN1007          1HE2      GLN1007   8.354  19.161   7.094
  718    H    TYR1008           H        TYR1008   7.209  21.881   1.618
  719    HA   TYR1008           HA       TYR1008   8.822  24.328   1.315
  720   1HB   TYR1008          HB1       TYR1008   9.620  22.559  -0.126
  721   2HB   TYR1008          HB2       TYR1008   7.996  22.233  -0.701
  722    HD1  TYR1008           HD1      TYR1008  10.472  25.034  -0.603
  723    HD2  TYR1008           HD2      TYR1008   7.389  23.029  -2.761
  724    HE1  TYR1008           HE1      TYR1008  10.860  26.520  -2.522
  725    HE2  TYR1008           HE2      TYR1008   7.773  24.520  -4.686
  726    HH   TYR1008           HH       TYR1008  10.493  26.420  -5.027
  727    H    VAL1009           H        VAL1009   5.948  23.649   2.228
  728    HA   VAL1009           HA       VAL1009   4.130  24.719   0.428
  729    HB   VAL1009           HB       VAL1009   3.369  23.541   2.394
  730   1HG1  VAL1009          1HG1      VAL1009   4.348  25.893   4.013
  731   2HG1  VAL1009          2HG1      VAL1009   3.430  24.516   4.627
  732   3HG1  VAL1009          3HG1      VAL1009   5.058  24.278   3.993
  733   1HG2  VAL1009          1HG2      VAL1009   2.427  26.405   2.350
  734   2HG2  VAL1009          2HG2      VAL1009   1.813  25.073   1.370
  735   3HG2  VAL1009          3HG2      VAL1009   1.575  25.063   3.116
  736    H    MET1010           H        MET1010   4.788  26.466  -0.642
  737    HA   MET1010           HA       MET1010   5.184  28.950   0.887
  738   1HB   MET1010          HB1       MET1010   7.171  28.092  -0.424
  739   2HB   MET1010          HB2       MET1010   6.228  28.328  -1.887
  740   1HG   MET1010          HG1       MET1010   6.085  30.716  -1.419
  741   2HG   MET1010          HG2       MET1010   7.013  30.486   0.061
  742   1HE   MET1010          HE1       MET1010  10.496  29.363  -1.335
  743   2HE   MET1010          HE2       MET1010   9.581  29.790   0.113
  744   3HE   MET1010          HE3       MET1010   9.158  28.346  -0.805
  745    H    THR1011           H        THR1011   2.682  28.161   0.492
  746    HA   THR1011           HA       THR1011   0.649  28.721  -0.301
  747    HB   THR1011           HB       THR1011   1.983  31.191  -1.413
  748    HG1  THR1011           HG1      THR1011   1.785  30.312   1.143
  749   1HG2  THR1011          1HG2      THR1011  -0.825  30.675  -0.415
  750   2HG2  THR1011          2HG2      THR1011  -0.198  32.230  -0.961
  751   3HG2  THR1011          3HG2      THR1011  -0.346  30.892  -2.099
  752    H    SER1012           H        SER1012   2.126  30.445  -2.996
  753    HA   SER1012           HA       SER1012   0.605  28.781  -4.811
  754   1HB   SER1012          HB1       SER1012   2.304  31.232  -5.331
  755   2HB   SER1012          HB2       SER1012   1.261  30.445  -6.516
  756    HG   SER1012           HG       SER1012  -0.524  30.935  -5.185
  757    H    LEU1013           H        LEU1013   3.942  29.296  -3.909
  758    HA   LEU1013           HA       LEU1013   5.027  27.949  -6.209
  759   1HB   LEU1013          HB1       LEU1013   6.286  28.762  -3.586
  760   2HB   LEU1013          HB2       LEU1013   7.168  27.995  -4.889
  761    HG   LEU1013           HG       LEU1013   7.633  30.319  -5.006
  762   1HD1  LEU1013          1HD1      LEU1013   5.557  29.683  -7.093
  763   2HD1  LEU1013          2HD1      LEU1013   6.811  30.919  -7.204
  764   3HD1  LEU1013          3HD1      LEU1013   7.255  29.212  -7.151
  765   1HD2  LEU1013          1HD2      LEU1013   5.773  31.140  -3.662
  766   2HD2  LEU1013          2HD2      LEU1013   5.902  32.031  -5.179
  767   3HD2  LEU1013          3HD2      LEU1013   4.657  30.798  -4.984
  768    H    GLN1014           H        GLN1014   3.458  26.940  -3.485
  769    HA   GLN1014           HA       GLN1014   4.898  24.591  -2.815
  770   1HB   GLN1014          HB1       GLN1014   3.313  25.702  -1.297
  771   2HB   GLN1014          HB2       GLN1014   1.992  25.312  -2.384
  772   1HG   GLN1014          HG1       GLN1014   3.565  23.015  -1.441
  773   2HG   GLN1014          HG2       GLN1014   2.655  23.881  -0.205
  774   1HE2  GLN1014          2HE2      GLN1014   2.468  21.887  -3.021
  775   2HE2  GLN1014          1HE2      GLN1014   0.767  21.585  -2.940
  776    H    GLN1015           H        GLN1015   2.805  25.419  -5.387
  777    HA   GLN1015           HA       GLN1015   1.554  22.973  -5.926
  778   1HB   GLN1015          HB1       GLN1015   0.725  24.966  -6.924
  779   2HB   GLN1015          HB2       GLN1015   2.267  25.295  -7.681
  780   1HG   GLN1015          HG1       GLN1015   1.977  23.316  -9.107
  781   2HG   GLN1015          HG2       GLN1015   0.402  23.040  -8.365
  782   1HE2  GLN1015          2HE2      GLN1015   2.258  25.081 -10.477
  783   2HE2  GLN1015          1HE2      GLN1015   0.915  25.909 -11.183
  784    H    GLU1016           H        GLU1016   4.699  24.218  -7.112
  785    HA   GLU1016           HA       GLU1016   5.577  22.201  -8.629
  786   1HB   GLU1016          HB1       GLU1016   7.089  23.954  -7.979
  787   2HB   GLU1016          HB2       GLU1016   7.071  23.422  -6.303
  788   1HG   GLU1016          HG1       GLU1016   8.177  21.340  -6.955
  789   2HG   GLU1016          HG2       GLU1016   8.200  21.881  -8.632
  790    H    TYR1017           H        TYR1017   5.261  21.962  -5.104
  791    HA   TYR1017           HA       TYR1017   6.093  19.180  -5.177
  792   1HB   TYR1017          HB1       TYR1017   5.492  21.130  -2.974
  793   2HB   TYR1017          HB2       TYR1017   5.579  19.407  -2.634
  794    HD1  TYR1017           HD1      TYR1017   7.474  20.191  -1.069
  795    HD2  TYR1017           HD2      TYR1017   7.708  20.391  -5.318
  796    HE1  TYR1017           HE1      TYR1017   9.923  20.332  -0.937
  797    HE2  TYR1017           HE2      TYR1017  10.155  20.537  -5.185
  798    HH   TYR1017           HH       TYR1017  11.852  21.269  -3.536
  799    H    LYS1018           H        LYS1018   3.277  20.933  -5.546
  800    HA   LYS1018           HA       LYS1018   1.398  18.917  -4.764
  801   1HB   LYS1018          HB1       LYS1018   0.378  20.983  -4.911
  802   2HB   LYS1018          HB2       LYS1018   1.334  21.478  -6.294
  803   1HG   LYS1018          HG1       LYS1018  -0.830  21.300  -7.115
  804   2HG   LYS1018          HG2       LYS1018  -0.050  19.806  -7.632
  805   1HD   LYS1018          HD1       LYS1018  -1.077  18.636  -5.729
  806   2HD   LYS1018          HD2       LYS1018  -1.884  20.136  -5.258
  807   1HE   LYS1018          HE1       LYS1018  -2.985  20.187  -7.474
  808   2HE   LYS1018          HE2       LYS1018  -2.244  18.633  -7.848
  809   1HZ   LYS1018          HZ1       LYS1018  -4.220  19.193  -5.699
  810   2HZ   LYS1018          HZ2       LYS1018  -4.471  18.283  -7.111
  811   3HZ   LYS1018          HZ3       LYS1018  -3.429  17.703  -5.910
  812    H    LYS1019           H        LYS1019   3.372  19.579  -7.565
  813    HA   LYS1019           HA       LYS1019   2.085  17.718  -9.305
  814   1HB   LYS1019          HB1       LYS1019   4.905  18.815  -9.335
  815   2HB   LYS1019          HB2       LYS1019   4.172  17.889 -10.640
  816   1HG   LYS1019          HG1       LYS1019   2.515  19.625 -10.981
  817   2HG   LYS1019          HG2       LYS1019   3.170  20.540  -9.621
  818   1HD   LYS1019          HD1       LYS1019   5.288  20.800 -10.791
  819   2HD   LYS1019          HD2       LYS1019   4.676  19.848 -12.146
  820   1HE   LYS1019          HE1       LYS1019   3.548  22.475 -11.182
  821   2HE   LYS1019          HE2       LYS1019   4.590  22.266 -12.586
  822   1HZ   LYS1019          HZ1       LYS1019   2.884  20.871 -13.593
  823   2HZ   LYS1019          HZ2       LYS1019   1.880  21.092 -12.244
  824   3HZ   LYS1019          HZ3       LYS1019   2.275  22.412 -13.231
  825    H    GLN1020           H        GLN1020   5.273  17.524  -7.707
  826    HA   GLN1020           HA       GLN1020   5.679  14.842  -7.645
  827   1HB   GLN1020          HB1       GLN1020   6.242  16.917  -5.551
  828   2HB   GLN1020          HB2       GLN1020   6.618  15.227  -5.244
  829   1HG   GLN1020          HG1       GLN1020   8.591  16.301  -6.030
  830   2HG   GLN1020          HG2       GLN1020   8.013  15.219  -7.293
  831   1HE2  GLN1020          2HE2      GLN1020   8.545  18.500  -6.355
  832   2HE2  GLN1020          1HE2      GLN1020   8.244  19.213  -7.898
  833    H    MET1021           H        MET1021   3.404  16.601  -5.616
  834    HA   MET1021           HA       MET1021   2.585  14.650  -3.854
  835   1HB   MET1021          HB1       MET1021   1.637  16.732  -3.490
  836   2HB   MET1021          HB2       MET1021   1.207  16.946  -5.178
  837   1HG   MET1021          HG1       MET1021  -0.778  16.684  -3.867
  838   2HG   MET1021          HG2       MET1021  -0.579  15.284  -4.916
  839   1HE   MET1021          HE1       MET1021  -2.318  13.861  -3.566
  840   2HE   MET1021          HE2       MET1021  -2.317  13.739  -1.808
  841   3HE   MET1021          HE3       MET1021  -2.617  15.295  -2.584
  842    H    LEU1022           H        LEU1022   1.389  15.180  -7.169
  843    HA   LEU1022           HA       LEU1022  -0.450  13.020  -7.077
  844   1HB   LEU1022          HB1       LEU1022  -0.744  14.831  -8.654
  845   2HB   LEU1022          HB2       LEU1022   0.794  14.470  -9.412
  846    HG   LEU1022           HG       LEU1022  -0.108  12.307 -10.193
  847   1HD1  LEU1022          1HD1      LEU1022  -2.505  11.861 -10.030
  848   2HD1  LEU1022          2HD1      LEU1022  -1.745  11.917  -8.439
  849   3HD1  LEU1022          3HD1      LEU1022  -2.700  13.286  -9.009
  850   1HD2  LEU1022          1HD2      LEU1022  -1.733  14.735 -10.940
  851   2HD2  LEU1022          2HD2      LEU1022  -0.217  14.212 -11.674
  852   3HD2  LEU1022          3HD2      LEU1022  -1.670  13.233 -11.862
  853    H    THR1023           H        THR1023   2.756  13.358  -8.576
  854    HA   THR1023           HA       THR1023   2.852  10.819  -9.735
  855    HB   THR1023           HB       THR1023   5.242  12.397  -8.779
  856    HG1  THR1023           HG1      THR1023   4.838  13.796 -10.317
  857   1HG2  THR1023          1HG2      THR1023   5.723  10.132  -9.598
  858   2HG2  THR1023          2HG2      THR1023   4.873  10.495 -11.099
  859   3HG2  THR1023          3HG2      THR1023   6.356  11.360 -10.697
  860    H    ALA1024           H        ALA1024   4.033  11.918  -6.562
  861    HA   ALA1024           HA       ALA1024   5.340   9.417  -6.026
  862   1HB   ALA1024          HB1       ALA1024   5.819  10.336  -3.824
  863   2HB   ALA1024          HB2       ALA1024   6.197  11.502  -5.094
  864   3HB   ALA1024          HB3       ALA1024   4.725  11.683  -4.139
  865    H    ALA1025           H        ALA1025   2.204  10.796  -5.253
  866    HA   ALA1025           HA       ALA1025   1.534   8.758  -3.337
  867   1HB   ALA1025          HB1       ALA1025   0.470  10.966  -3.260
  868   2HB   ALA1025          HB2       ALA1025  -0.269  10.666  -4.833
  869   3HB   ALA1025          HB3       ALA1025  -0.726   9.683  -3.442
  870    H    HIS1026           H        HIS1026   1.010   9.290  -6.776
  871    HA   HIS1026           HA       HIS1026  -0.696   7.046  -7.136
  872   1HB   HIS1026          HB1       HIS1026  -0.667   8.916  -8.723
  873   2HB   HIS1026          HB2       HIS1026   1.008   8.568  -9.126
  874    HD1  HIS1026           HD1      HIS1026  -2.455   7.686 -10.009
  875    HD2  HIS1026           HD2      HIS1026   1.360   6.152 -10.647
  876    HE1  HIS1026           HE1      HIS1026  -2.686   6.042 -11.900
  877    HE2  HIS1026           HE2      HIS1026  -0.341   5.237 -12.361
  878    H    ALA1027           H        ALA1027   2.764   7.511  -7.130
  879    HA   ALA1027           HA       ALA1027   3.444   4.978  -8.214
  880   1HB   ALA1027          HB1       ALA1027   5.668   5.406  -7.273
  881   2HB   ALA1027          HB2       ALA1027   5.045   6.797  -8.159
  882   3HB   ALA1027          HB3       ALA1027   5.021   6.791  -6.394
  883    H    LEU1028           H        LEU1028   2.787   6.149  -4.956
  884    HA   LEU1028           HA       LEU1028   3.359   3.772  -3.551
  885   1HB   LEU1028          HB1       LEU1028   2.972   5.842  -2.361
  886   2HB   LEU1028          HB2       LEU1028   1.352   5.955  -3.015
  887    HG   LEU1028           HG       LEU1028   1.606   3.445  -1.624
  888   1HD1  LEU1028          1HD1      LEU1028   1.897   4.294   0.634
  889   2HD1  LEU1028          2HD1      LEU1028   3.354   4.498  -0.339
  890   3HD1  LEU1028          3HD1      LEU1028   2.307   5.880  -0.015
  891   1HD2  LEU1028          1HD2      LEU1028  -0.484   4.592  -2.140
  892   2HD2  LEU1028          2HD2      LEU1028  -0.314   4.313  -0.406
  893   3HD2  LEU1028          3HD2      LEU1028  -0.025   5.920  -1.074
  894    H    ALA1029           H        ALA1029   0.440   5.012  -5.058
  895    HA   ALA1029           HA       ALA1029  -1.262   2.920  -4.472
  896   1HB   ALA1029          HB1       ALA1029  -2.009   4.977  -5.575
  897   2HB   ALA1029          HB2       ALA1029  -1.185   4.485  -7.055
  898   3HB   ALA1029          HB3       ALA1029  -2.553   3.547  -6.453
  899    H    VAL1030           H        VAL1030   1.187   3.135  -7.035
  900    HA   VAL1030           HA       VAL1030   0.751   0.615  -8.170
  901    HB   VAL1030           HB       VAL1030   3.333   2.165  -7.945
  902   1HG1  VAL1030          1HG1      VAL1030   2.594  -0.083  -9.821
  903   2HG1  VAL1030          2HG1      VAL1030   4.083   0.860  -9.874
  904   3HG1  VAL1030          3HG1      VAL1030   3.748  -0.182  -8.491
  905   1HG2  VAL1030          1HG2      VAL1030   2.799   2.937 -10.207
  906   2HG2  VAL1030          2HG2      VAL1030   1.259   2.080 -10.133
  907   3HG2  VAL1030          3HG2      VAL1030   1.572   3.431  -9.042
  908    H    ASP1031           H        ASP1031   2.505   1.507  -5.220
  909    HA   ASP1031           HA       ASP1031   3.761  -1.079  -5.052
  910   1HB   ASP1031          HB1       ASP1031   4.627  -0.489  -2.912
  911   2HB   ASP1031          HB2       ASP1031   4.779   0.923  -3.938
  912    H    ALA1032           H        ALA1032   0.921   0.471  -3.692
  913    HA   ALA1032           HA       ALA1032  -0.081  -1.700  -2.217
  914   1HB   ALA1032          HB1       ALA1032  -2.275  -0.638  -2.528
  915   2HB   ALA1032          HB2       ALA1032  -1.041   0.543  -2.089
  916   3HB   ALA1032          HB3       ALA1032  -1.585   0.417  -3.762
  917    H    LYS1033           H        LYS1033  -0.391  -0.794  -5.638
  918    HA   LYS1033           HA       LYS1033  -2.244  -2.784  -6.353
  919   1HB   LYS1033          HB1       LYS1033  -1.898  -0.829  -7.749
  920   2HB   LYS1033          HB2       LYS1033  -0.231  -1.299  -8.049
  921   1HG   LYS1033          HG1       LYS1033  -1.010  -3.304  -9.214
  922   2HG   LYS1033          HG2       LYS1033  -2.680  -2.816  -8.930
  923   1HD   LYS1033          HD1       LYS1033  -2.341  -0.807 -10.254
  924   2HD   LYS1033          HD2       LYS1033  -0.640  -1.228 -10.483
  925   1HE   LYS1033          HE1       LYS1033  -2.989  -2.874 -11.422
  926   2HE   LYS1033          HE2       LYS1033  -2.026  -1.801 -12.440
  927   1HZ   LYS1033          HZ1       LYS1033  -0.131  -3.159 -12.164
  928   2HZ   LYS1033          HZ2       LYS1033  -0.853  -4.076 -10.933
  929   3HZ   LYS1033          HZ3       LYS1033  -1.404  -4.213 -12.526
  930    H    ASN1034           H        ASN1034   1.315  -2.761  -6.440
  931    HA   ASN1034           HA       ASN1034   1.413  -5.297  -7.760
  932   1HB   ASN1034          HB1       ASN1034   3.271  -3.594  -7.841
  933   2HB   ASN1034          HB2       ASN1034   3.660  -4.039  -6.181
  934   1HD2  ASN1034          2HD2      ASN1034   5.715  -4.793  -6.810
  935   2HD2  ASN1034          1HD2      ASN1034   5.911  -6.288  -7.646
  936    H    LEU1035           H        LEU1035   1.545  -4.233  -4.402
  937    HA   LEU1035           HA       LEU1035   2.308  -6.851  -3.418
  938   1HB   LEU1035          HB1       LEU1035   2.947  -4.894  -2.114
  939   2HB   LEU1035          HB2       LEU1035   1.263  -4.389  -1.977
  940    HG   LEU1035           HG       LEU1035   0.907  -6.632  -0.751
  941   1HD1  LEU1035          1HD1      LEU1035   2.888  -7.481   0.400
  942   2HD1  LEU1035          2HD1      LEU1035   3.019  -7.658  -1.350
  943   3HD1  LEU1035          3HD1      LEU1035   3.898  -6.370  -0.524
  944   1HD2  LEU1035          1HD2      LEU1035   0.780  -4.469   0.341
  945   2HD2  LEU1035          2HD2      LEU1035   1.603  -5.638   1.375
  946   3HD2  LEU1035          3HD2      LEU1035   2.536  -4.426   0.497
  947    H    LEU1036           H        LEU1036  -0.757  -5.141  -3.945
  948    HA   LEU1036           HA       LEU1036  -2.384  -6.909  -2.504
  949   1HB   LEU1036          HB1       LEU1036  -4.273  -6.086  -3.755
  950   2HB   LEU1036          HB2       LEU1036  -3.244  -4.748  -3.310
  951    HG   LEU1036           HG       LEU1036  -2.344  -4.975  -5.757
  952   1HD1  LEU1036          1HD1      LEU1036  -5.065  -6.249  -6.017
  953   2HD1  LEU1036          2HD1      LEU1036  -4.007  -5.760  -7.340
  954   3HD1  LEU1036          3HD1      LEU1036  -3.525  -7.072  -6.265
  955   1HD2  LEU1036          1HD2      LEU1036  -4.086  -3.435  -6.503
  956   2HD2  LEU1036          2HD2      LEU1036  -5.090  -3.900  -5.129
  957   3HD2  LEU1036          3HD2      LEU1036  -3.562  -3.061  -4.861
  958    H    ASP1037           H        ASP1037  -1.097  -6.933  -5.670
  959    HA   ASP1037           HA       ASP1037  -2.346  -9.373  -6.507
  960   1HB   ASP1037          HB1       ASP1037  -1.629  -7.717  -8.156
  961   2HB   ASP1037          HB2       ASP1037   0.038  -7.870  -7.613
  962    H    VAL1038           H        VAL1038   0.744  -8.388  -5.191
  963    HA   VAL1038           HA       VAL1038   2.181 -10.737  -5.111
  964    HB   VAL1038           HB       VAL1038   2.016  -8.373  -3.274
  965   1HG1  VAL1038          1HG1      VAL1038   2.522 -10.240  -1.794
  966   2HG1  VAL1038          2HG1      VAL1038   3.846 -10.729  -2.854
  967   3HG1  VAL1038          3HG1      VAL1038   3.927  -9.190  -1.995
  968   1HG2  VAL1038          1HG2      VAL1038   4.199  -9.449  -5.046
  969   2HG2  VAL1038          2HG2      VAL1038   3.126  -8.101  -5.418
  970   3HG2  VAL1038          3HG2      VAL1038   4.282  -7.968  -4.093
  971    H    ILE1039           H        ILE1039   0.107  -9.504  -2.557
  972    HA   ILE1039           HA       ILE1039   0.292 -11.970  -1.098
  973    HB   ILE1039           HB       ILE1039  -1.028 -10.791   0.647
  974   1HG1  ILE1039          1HG1      ILE1039  -0.913  -8.585  -1.397
  975   2HG1  ILE1039          2HG1      ILE1039  -2.310  -9.197  -0.519
  976   1HG2  ILE1039          1HG2      ILE1039   0.810  -9.293   1.294
  977   2HG2  ILE1039          2HG2      ILE1039   1.396 -10.847   0.704
  978   3HG2  ILE1039          3HG2      ILE1039   1.478  -9.424  -0.334
  979   1HD1  ILE1039          1HD1      ILE1039  -1.484  -8.206   1.528
  980   2HD1  ILE1039          2HD1      ILE1039  -0.037  -7.641   0.691
  981   3HD1  ILE1039          3HD1      ILE1039  -1.618  -6.990   0.259
  982    H    ASP1040           H        ASP1040  -2.231 -10.283  -2.961
  983    HA   ASP1040           HA       ASP1040  -4.181 -12.244  -2.537
  984   1HB   ASP1040          HB1       ASP1040  -4.759 -10.379  -3.955
  985   2HB   ASP1040          HB2       ASP1040  -3.509 -10.814  -5.117
  986    H    GLN1041           H        GLN1041  -1.335 -12.251  -4.644
  987    HA   GLN1041           HA       GLN1041  -1.735 -14.934  -5.488
  988   1HB   GLN1041          HB1       GLN1041   0.666 -13.149  -5.455
  989   2HB   GLN1041          HB2       GLN1041   0.851 -14.871  -5.767
  990   1HG   GLN1041          HG1       GLN1041  -0.782 -14.648  -7.625
  991   2HG   GLN1041          HG2       GLN1041  -0.778 -12.905  -7.359
  992   1HE2  GLN1041          2HE2      GLN1041   0.996 -11.701  -7.968
  993   2HE2  GLN1041          1HE2      GLN1041   2.272 -12.345  -8.941
  994    H    ALA1042           H        ALA1042  -0.127 -13.452  -2.711
  995    HA   ALA1042           HA       ALA1042   0.994 -15.667  -1.546
  996   1HB   ALA1042          HB1       ALA1042   0.746 -14.577   0.604
  997   2HB   ALA1042          HB2       ALA1042   1.232 -13.416  -0.630
  998   3HB   ALA1042          HB3       ALA1042  -0.444 -13.470  -0.083
  999    H    ARG1043           H        ARG1043  -2.290 -14.437  -1.053
 1000    HA   ARG1043           HA       ARG1043  -3.453 -16.443   0.385
 1001   1HB   ARG1043          HB1       ARG1043  -5.062 -14.912  -0.012
 1002   2HB   ARG1043          HB2       ARG1043  -4.353 -14.436  -1.543
 1003   1HG   ARG1043          HG1       ARG1043  -5.833 -17.009  -1.450
 1004   2HG   ARG1043          HG2       ARG1043  -6.760 -15.510  -1.368
 1005   1HD   ARG1043          HD1       ARG1043  -5.738 -14.744  -3.427
 1006   2HD   ARG1043          HD2       ARG1043  -4.739 -16.193  -3.492
 1007    HE   ARG1043           HE       ARG1043  -7.322 -17.114  -3.461
 1008   1HH1  ARG1043          2HH1      ARG1043  -5.524 -14.850  -5.418
 1009   2HH1  ARG1043          1HH1      ARG1043  -6.351 -15.250  -6.891
 1010   1HH2  ARG1043          2HH2      ARG1043  -8.433 -17.658  -5.401
 1011   2HH2  ARG1043          1HH2      ARG1043  -7.997 -16.855  -6.888
 1012    H    LEU1044           H        LEU1044  -2.752 -16.459  -3.059
 1013    HA   LEU1044           HA       LEU1044  -3.860 -19.078  -3.492
 1014   1HB   LEU1044          HB1       LEU1044  -3.749 -17.241  -5.174
 1015   2HB   LEU1044          HB2       LEU1044  -2.026 -17.496  -5.274
 1016    HG   LEU1044           HG       LEU1044  -2.443 -19.819  -6.041
 1017   1HD1  LEU1044          1HD1      LEU1044  -4.636 -20.149  -5.038
 1018   2HD1  LEU1044          2HD1      LEU1044  -5.323 -18.933  -6.116
 1019   3HD1  LEU1044          3HD1      LEU1044  -4.687 -20.439  -6.778
 1020   1HD2  LEU1044          1HD2      LEU1044  -2.039 -18.019  -7.643
 1021   2HD2  LEU1044          2HD2      LEU1044  -3.162 -19.216  -8.292
 1022   3HD2  LEU1044          3HD2      LEU1044  -3.767 -17.671  -7.693
 1023    H    LYS1045           H        LYS1045  -0.715 -17.703  -2.872
 1024    HA   LYS1045           HA       LYS1045   0.898 -19.887  -3.590
 1025   1HB   LYS1045          HB1       LYS1045   1.326 -17.756  -1.487
 1026   2HB   LYS1045          HB2       LYS1045   2.568 -18.866  -2.031
 1027   1HG   LYS1045          HG1       LYS1045   1.218 -16.706  -3.614
 1028   2HG   LYS1045          HG2       LYS1045   2.900 -16.780  -3.094
 1029   1HD   LYS1045          HD1       LYS1045   3.337 -18.623  -4.575
 1030   2HD   LYS1045          HD2       LYS1045   1.628 -18.751  -4.993
 1031   1HE   LYS1045          HE1       LYS1045   2.851 -17.631  -6.767
 1032   2HE   LYS1045          HE2       LYS1045   1.717 -16.516  -6.009
 1033   1HZ   LYS1045          HZ1       LYS1045   3.578 -15.635  -4.696
 1034   2HZ   LYS1045          HZ2       LYS1045   4.641 -16.650  -5.528
 1035   3HZ   LYS1045          HZ3       LYS1045   3.820 -15.423  -6.359
 1036    H    MET1046           H        MET1046  -0.673 -18.966  -0.579
 1037    HA   MET1046           HA       MET1046   0.365 -21.150   0.919
 1038   1HB   MET1046          HB1       MET1046  -0.568 -19.029   1.884
 1039   2HB   MET1046          HB2       MET1046  -2.170 -19.605   1.448
 1040   1HG   MET1046          HG1       MET1046  -1.901 -21.528   2.900
 1041   2HG   MET1046          HG2       MET1046  -0.266 -21.007   3.300
 1042   1HE   MET1046          HE1       MET1046  -2.352 -21.716   5.532
 1043   2HE   MET1046          HE2       MET1046  -0.739 -21.101   5.893
 1044   3HE   MET1046          HE3       MET1046  -2.152 -20.371   6.653
 1045    H    ILE1047           H        ILE1047  -2.513 -20.662  -1.053
 1046    HA   ILE1047           HA       ILE1047  -3.699 -23.187  -0.501
 1047    HB   ILE1047           HB       ILE1047  -4.001 -21.325  -2.857
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.865 -20.441  -0.769
 1049   2HG1  ILE1047          2HG1      ILE1047  -6.205 -20.875  -1.822
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.566 -23.829  -2.239
 1051   2HG2  ILE1047          2HG2      ILE1047  -5.980 -22.647  -3.480
 1052   3HG2  ILE1047          3HG2      ILE1047  -4.489 -23.579  -3.612
 1053   1HD1  ILE1047          1HD1      ILE1047  -6.662 -21.519   0.461
 1054   2HD1  ILE1047          2HD1      ILE1047  -6.509 -22.950  -0.559
 1055   3HD1  ILE1047          3HD1      ILE1047  -5.183 -22.481   0.507
 1056    H    SER1048           H        SER1048  -1.525 -21.981  -3.024
 1057    HA   SER1048           HA       SER1048  -1.134 -24.283  -4.513
 1058   1HB   SER1048          HB1       SER1048   0.903 -22.168  -3.747
 1059   2HB   SER1048          HB2       SER1048   1.122 -23.359  -5.033
 1060    HG   SER1048           HG       SER1048  -0.996 -21.465  -4.916
 1061    H    GLN1049           H        GLN1049   0.038 -23.561  -1.302
 1062    HA   GLN1049           HA       GLN1049   1.850 -25.838  -1.296
 1063   1HB   GLN1049          HB1       GLN1049   2.029 -23.473  -0.049
 1064   2HB   GLN1049          HB2       GLN1049   1.183 -24.365   1.206
 1065   1HG   GLN1049          HG1       GLN1049   3.818 -25.144  -0.025
 1066   2HG   GLN1049          HG2       GLN1049   3.606 -24.351   1.532
 1067   1HE2  GLN1049          2HE2      GLN1049   2.729 -25.532   3.257
 1068   2HE2  GLN1049          1HE2      GLN1049   2.723 -27.258   3.258
 1069    H    SER1050           H        SER1050  -1.150 -24.806   0.305
 1070    HA   SER1050           HA       SER1050  -1.530 -27.097   1.880
 1071   1HB   SER1050          HB1       SER1050  -3.674 -25.309   0.712
 1072   2HB   SER1050          HB2       SER1050  -3.828 -26.351   2.126
 1073    HG   SER1050           HG       SER1050  -2.256 -24.016   1.828
 1074    H    ARG1051           H        ARG1051  -2.533 -26.338  -1.427
 1075    HA   ARG1051           HA       ARG1051  -3.714 -28.943  -1.807
 1076   1HB   ARG1051          HB1       ARG1051  -3.621 -26.475  -3.261
 1077   2HB   ARG1051          HB2       ARG1051  -3.052 -27.769  -4.305
 1078   1HG   ARG1051          HG1       ARG1051  -5.142 -29.037  -3.649
 1079   2HG   ARG1051          HG2       ARG1051  -5.715 -27.524  -2.942
 1080   1HD   ARG1051          HD1       ARG1051  -6.557 -27.796  -5.214
 1081   2HD   ARG1051          HD2       ARG1051  -5.463 -26.413  -5.108
 1082    HE   ARG1051           HE       ARG1051  -4.194 -28.878  -5.906
 1083   1HH1  ARG1051          2HH1      ARG1051  -5.912 -26.035  -7.040
 1084   2HH1  ARG1051          1HH1      ARG1051  -5.223 -26.107  -8.636
 1085   1HH2  ARG1051          2HH2      ARG1051  -3.259 -28.956  -7.992
 1086   2HH2  ARG1051          1HH2      ARG1051  -3.705 -27.755  -9.176
 1087    HA   PRO1052           HA       PRO1052   0.294 -30.798  -2.360
 1088   1HB   PRO1052          HB1       PRO1052  -1.175 -33.218  -3.099
 1089   2HB   PRO1052          HB2       PRO1052  -0.168 -32.911  -1.683
 1090   1HG   PRO1052          HG1       PRO1052  -2.847 -33.172  -1.515
 1091   2HG   PRO1052          HG2       PRO1052  -1.932 -32.097  -0.443
 1092   1HD   PRO1052          HD1       PRO1052  -3.520 -31.418  -2.894
 1093   2HD   PRO1052          HD2       PRO1052  -3.459 -30.585  -1.323
 1094    H    HIS1053           H        HIS1053  -0.617 -29.294  -4.565
 1095    HA   HIS1053           HA       HIS1053  -0.217 -29.003  -6.776
 1096   1HB   HIS1053          HB1       HIS1053   1.306 -31.605  -6.517
 1097   2HB   HIS1053          HB2       HIS1053   1.321 -30.580  -7.946
 1098    HD1  HIS1053           HD1      HIS1053   3.158 -28.939  -8.053
 1099    HD2  HIS1053           HD2      HIS1053   2.391 -30.155  -4.148
 1100    HE1  HIS1053           HE1      HIS1053   4.941 -27.865  -6.640
 1101    HE2  HIS1053           HE2      HIS1053   4.591 -28.801  -4.326
  Start of MODEL   15
    1   1H    ARG 920           H        ARG 920  -6.983 -20.818  -3.052
    2    HA   ARG 920           HA       ARG 920  -8.162 -20.228  -0.551
    3   1HB   ARG 920          HB1       ARG 920  -5.736 -19.917  -1.301
    4   2HB   ARG 920          HB2       ARG 920  -6.291 -18.446  -2.087
    5   1HG   ARG 920          HG1       ARG 920  -5.462 -17.731  -0.046
    6   2HG   ARG 920          HG2       ARG 920  -7.212 -17.784   0.190
    7   1HD   ARG 920          HD1       ARG 920  -5.505 -20.147   0.883
    8   2HD   ARG 920          HD2       ARG 920  -5.623 -18.794   1.999
    9    HE   ARG 920           HE       ARG 920  -8.103 -20.070   1.067
   10   1HH1  ARG 920          2HH1      ARG 920  -5.812 -19.510   3.669
   11   2HH1  ARG 920          1HH1      ARG 920  -6.879 -20.093   4.911
   12   1HH2  ARG 920          2HH2      ARG 920  -9.489 -20.863   2.686
   13   2HH2  ARG 920          1HH2      ARG 920  -8.948 -20.922   4.340
   14    H    SER 921           H        SER 921  -8.932 -18.041   0.050
   15    HA   SER 921           HA       SER 921 -10.613 -16.928  -2.087
   16   1HB   SER 921          HB1       SER 921 -11.341 -17.417   0.801
   17   2HB   SER 921          HB2       SER 921 -12.401 -16.710  -0.420
   18    HG   SER 921           HG       SER 921 -12.209 -18.688  -1.588
   19    H    ASN 922           H        ASN 922  -8.169 -15.815  -1.530
   20    HA   ASN 922           HA       ASN 922  -7.088 -13.873  -1.020
   21   1HB   ASN 922          HB1       ASN 922  -9.330 -12.094  -1.337
   22   2HB   ASN 922          HB2       ASN 922  -7.919 -12.306  -2.365
   23   1HD2  ASN 922          2HD2      ASN 922  -7.936 -14.165  -3.793
   24   2HD2  ASN 922          1HD2      ASN 922  -9.441 -14.640  -4.538
   25    H    ASP 923           H        ASP 923  -7.434 -14.857   1.185
   26    HA   ASP 923           HA       ASP 923  -8.953 -13.909   3.233
   27   1HB   ASP 923          HB1       ASP 923  -7.414 -15.810   3.362
   28   2HB   ASP 923          HB2       ASP 923  -6.036 -14.725   3.263
   29    H    LYS 924           H        LYS 924  -7.623 -12.730   5.173
   30    HA   LYS 924           HA       LYS 924  -7.898 -10.069   5.010
   31   1HB   LYS 924          HB1       LYS 924  -6.923 -11.751   6.891
   32   2HB   LYS 924          HB2       LYS 924  -5.471 -10.843   6.504
   33   1HG   LYS 924          HG1       LYS 924  -8.094  -9.643   7.383
   34   2HG   LYS 924          HG2       LYS 924  -6.691  -9.907   8.417
   35   1HD   LYS 924          HD1       LYS 924  -5.380  -8.411   6.949
   36   2HD   LYS 924          HD2       LYS 924  -6.838  -8.095   6.012
   37   1HE   LYS 924          HE1       LYS 924  -6.431  -7.473   8.932
   38   2HE   LYS 924          HE2       LYS 924  -6.389  -6.308   7.610
   39   1HZ   LYS 924          HZ1       LYS 924  -8.516  -6.218   8.676
   40   2HZ   LYS 924          HZ2       LYS 924  -8.732  -6.894   7.136
   41   3HZ   LYS 924          HZ3       LYS 924  -8.745  -7.890   8.505
   42    H    VAL 925           H        VAL 925  -5.312 -11.778   3.441
   43    HA   VAL 925           HA       VAL 925  -3.502  -9.693   3.041
   44    HB   VAL 925           HB       VAL 925  -2.896 -10.980   0.928
   45   1HG1  VAL 925          1HG1      VAL 925  -1.713 -11.313   3.027
   46   2HG1  VAL 925          2HG1      VAL 925  -2.950 -12.447   3.572
   47   3HG1  VAL 925          3HG1      VAL 925  -1.921 -12.855   2.198
   48   1HG2  VAL 925          1HG2      VAL 925  -5.049 -12.013   0.492
   49   2HG2  VAL 925          2HG2      VAL 925  -3.823 -13.255   0.747
   50   3HG2  VAL 925          3HG2      VAL 925  -4.974 -12.876   2.028
   51    H    TYR 926           H        TYR 926  -6.387 -10.706   1.064
   52    HA   TYR 926           HA       TYR 926  -5.725  -8.696  -0.948
   53   1HB   TYR 926          HB1       TYR 926  -6.813 -10.730  -1.650
   54   2HB   TYR 926          HB2       TYR 926  -8.096 -10.538  -0.464
   55    HD1  TYR 926           HD1      TYR 926  -9.838  -8.806  -0.797
   56    HD2  TYR 926           HD2      TYR 926  -6.904  -9.673  -3.761
   57    HE1  TYR 926           HE1      TYR 926 -11.220  -7.672  -2.501
   58    HE2  TYR 926           HE2      TYR 926  -8.268  -8.534  -5.465
   59    HH   TYR 926           HH       TYR 926 -10.623  -7.947  -5.842
   60    H    GLU 927           H        GLU 927  -7.673  -9.104   1.862
   61    HA   GLU 927           HA       GLU 927  -9.569  -7.066   1.499
   62   1HB   GLU 927          HB1       GLU 927  -9.408  -9.082   3.164
   63   2HB   GLU 927          HB2       GLU 927  -8.593  -7.914   4.194
   64   1HG   GLU 927          HG1       GLU 927 -10.680  -6.444   3.621
   65   2HG   GLU 927          HG2       GLU 927 -11.402  -8.016   3.286
   66    H    ASN 928           H        ASN 928  -6.633  -7.110   3.533
   67    HA   ASN 928           HA       ASN 928  -7.044  -4.416   4.359
   68   1HB   ASN 928          HB1       ASN 928  -5.743  -6.298   5.580
   69   2HB   ASN 928          HB2       ASN 928  -4.386  -5.782   4.579
   70   1HD2  ASN 928          2HD2      ASN 928  -3.663  -3.593   4.773
   71   2HD2  ASN 928          1HD2      ASN 928  -3.916  -2.725   6.241
   72    H    VAL 929           H        VAL 929  -5.175  -5.917   1.808
   73    HA   VAL 929           HA       VAL 929  -3.674  -3.593   1.160
   74    HB   VAL 929           HB       VAL 929  -4.484  -5.795  -0.751
   75   1HG1  VAL 929          1HG1      VAL 929  -2.607  -4.967  -2.081
   76   2HG1  VAL 929          2HG1      VAL 929  -3.829  -3.716  -1.852
   77   3HG1  VAL 929          3HG1      VAL 929  -2.340  -3.680  -0.907
   78   1HG2  VAL 929          1HG2      VAL 929  -2.255  -6.685  -0.343
   79   2HG2  VAL 929          2HG2      VAL 929  -1.947  -5.408   0.833
   80   3HG2  VAL 929          3HG2      VAL 929  -3.183  -6.624   1.156
   81    H    THR 930           H        THR 930  -6.790  -4.839  -0.036
   82    HA   THR 930           HA       THR 930  -7.481  -2.615  -1.601
   83    HB   THR 930           HB       THR 930  -9.338  -4.312   0.100
   84    HG1  THR 930           HG1      THR 930  -8.353  -5.702  -1.297
   85   1HG2  THR 930          1HG2      THR 930  -9.905  -2.627  -2.343
   86   2HG2  THR 930          2HG2      THR 930 -11.069  -3.649  -1.503
   87   3HG2  THR 930          3HG2      THR 930 -10.386  -2.240  -0.692
   88    H    GLY 931           H        GLY 931  -7.633  -3.257   1.831
   89   1HA   GLY 931          HA1       GLY 931  -8.898  -0.937   2.748
   90   2HA   GLY 931          HA2       GLY 931  -7.721  -1.873   3.657
   91    H    LEU 932           H        LEU 932  -5.509  -1.468   1.818
   92    HA   LEU 932           HA       LEU 932  -4.540   1.043   2.674
   93   1HB   LEU 932          HB1       LEU 932  -3.204  -0.998   1.838
   94   2HB   LEU 932          HB2       LEU 932  -3.554  -0.414   0.223
   95    HG   LEU 932           HG       LEU 932  -2.069   1.197   2.313
   96   1HD1  LEU 932          1HD1      LEU 932  -0.988  -0.433   0.025
   97   2HD1  LEU 932          2HD1      LEU 932  -0.051   0.661   1.045
   98   3HD1  LEU 932          3HD1      LEU 932  -0.795  -0.780   1.743
   99   1HD2  LEU 932          1HD2      LEU 932  -1.383   2.586   0.436
  100   2HD2  LEU 932          2HD2      LEU 932  -2.335   1.593  -0.667
  101   3HD2  LEU 932          3HD2      LEU 932  -3.140   2.553   0.575
  102    H    VAL 933           H        VAL 933  -5.888  -0.091  -0.395
  103    HA   VAL 933           HA       VAL 933  -5.802   2.305  -1.817
  104    HB   VAL 933           HB       VAL 933  -7.978   0.207  -1.981
  105   1HG1  VAL 933          1HG1      VAL 933  -8.221   0.968  -4.295
  106   2HG1  VAL 933          2HG1      VAL 933  -8.542   2.265  -3.145
  107   3HG1  VAL 933          3HG1      VAL 933  -7.007   2.215  -4.010
  108   1HG2  VAL 933          1HG2      VAL 933  -5.349   0.352  -3.460
  109   2HG2  VAL 933          2HG2      VAL 933  -5.755  -0.801  -2.188
  110   3HG2  VAL 933          3HG2      VAL 933  -6.623  -0.838  -3.724
  111    H    LYS 934           H        LYS 934  -8.236   1.038   0.394
  112    HA   LYS 934           HA       LYS 934 -10.093   3.135   0.179
  113   1HB   LYS 934          HB1       LYS 934  -9.591   1.491   2.663
  114   2HB   LYS 934          HB2       LYS 934 -11.080   2.303   2.212
  115   1HG   LYS 934          HG1       LYS 934  -9.877  -0.054   0.754
  116   2HG   LYS 934          HG2       LYS 934 -11.179  -0.149   1.937
  117   1HD   LYS 934          HD1       LYS 934 -12.327  -0.182  -0.068
  118   2HD   LYS 934          HD2       LYS 934 -12.389   1.529   0.360
  119   1HE   LYS 934          HE1       LYS 934 -10.571   2.016  -1.149
  120   2HE   LYS 934          HE2       LYS 934 -10.346   0.302  -1.492
  121   1HZ   LYS 934          HZ1       LYS 934 -11.596   1.569  -3.214
  122   2HZ   LYS 934          HZ2       LYS 934 -12.423   0.216  -2.610
  123   3HZ   LYS 934          HZ3       LYS 934 -12.853   1.776  -2.095
  124    H    ALA 935           H        ALA 935  -7.292   2.670   2.272
  125    HA   ALA 935           HA       ALA 935  -7.831   5.040   3.804
  126   1HB   ALA 935          HB1       ALA 935  -5.775   4.543   4.970
  127   2HB   ALA 935          HB2       ALA 935  -6.753   3.086   4.799
  128   3HB   ALA 935          HB3       ALA 935  -5.354   3.335   3.755
  129    H    VAL 936           H        VAL 936  -5.858   4.279   0.989
  130    HA   VAL 936           HA       VAL 936  -4.608   6.861   1.061
  131    HB   VAL 936           HB       VAL 936  -3.456   5.003  -0.070
  132   1HG1  VAL 936          1HG1      VAL 936  -5.411   3.891  -1.040
  133   2HG1  VAL 936          2HG1      VAL 936  -5.616   5.234  -2.165
  134   3HG1  VAL 936          3HG1      VAL 936  -4.176   4.219  -2.256
  135   1HG2  VAL 936          1HG2      VAL 936  -2.890   7.284  -0.672
  136   2HG2  VAL 936          2HG2      VAL 936  -2.742   6.210  -2.063
  137   3HG2  VAL 936          3HG2      VAL 936  -4.136   7.282  -1.920
  138    H    ILE 937           H        ILE 937  -7.631   5.611   0.085
  139    HA   ILE 937           HA       ILE 937  -8.438   7.799  -1.538
  140    HB   ILE 937           HB       ILE 937 -10.035   5.859   0.138
  141   1HG1  ILE 937          1HG1      ILE 937  -9.006   4.923  -1.867
  142   2HG1  ILE 937          2HG1      ILE 937 -10.754   5.002  -2.057
  143   1HG2  ILE 937          1HG2      ILE 937 -12.062   6.738  -0.928
  144   2HG2  ILE 937          2HG2      ILE 937 -11.272   7.945   0.088
  145   3HG2  ILE 937          3HG2      ILE 937 -11.108   8.023  -1.666
  146   1HD1  ILE 937          1HD1      ILE 937 -10.496   7.026  -3.414
  147   2HD1  ILE 937          2HD1      ILE 937  -8.744   6.907  -3.242
  148   3HD1  ILE 937          3HD1      ILE 937  -9.636   5.648  -4.099
  149    H    GLU 938           H        GLU 938  -8.216   7.205   1.897
  150    HA   GLU 938           HA       GLU 938  -9.543   9.493   2.870
  151   1HB   GLU 938          HB1       GLU 938  -7.110   8.118   4.045
  152   2HB   GLU 938          HB2       GLU 938  -8.191   9.217   4.899
  153   1HG   GLU 938          HG1       GLU 938 -10.067   7.623   4.415
  154   2HG   GLU 938          HG2       GLU 938  -8.862   6.498   3.799
  155    H    MET 939           H        MET 939  -6.176   8.966   1.970
  156    HA   MET 939           HA       MET 939  -5.073  11.418   2.234
  157   1HB   MET 939          HB1       MET 939  -3.837   9.564   1.287
  158   2HB   MET 939          HB2       MET 939  -4.862   9.550  -0.137
  159   1HG   MET 939          HG1       MET 939  -4.002  11.895  -0.588
  160   2HG   MET 939          HG2       MET 939  -2.784  11.562   0.640
  161   1HE   MET 939          HE1       MET 939  -4.447   9.362  -2.180
  162   2HE   MET 939          HE2       MET 939  -4.051  10.895  -2.956
  163   3HE   MET 939          HE3       MET 939  -3.190   9.427  -3.418
  164    H    SER 940           H        SER 940  -7.105  10.398  -0.516
  165    HA   SER 940           HA       SER 940  -7.109  12.983  -1.724
  166   1HB   SER 940          HB1       SER 940  -7.550  10.876  -2.974
  167   2HB   SER 940          HB2       SER 940  -9.084  10.737  -2.119
  168    HG   SER 940           HG       SER 940  -9.730  11.807  -3.833
  169    H    SER 941           H        SER 941  -9.182  11.373   0.616
  170    HA   SER 941           HA       SER 941 -11.417  13.070   0.094
  171   1HB   SER 941          HB1       SER 941 -10.897  11.224   2.434
  172   2HB   SER 941          HB2       SER 941 -12.448  11.958   2.026
  173    HG   SER 941           HG       SER 941 -10.967  10.140   0.411
  174    H    LYS 942           H        LYS 942  -9.046  12.807   2.707
  175    HA   LYS 942           HA       LYS 942 -10.236  15.061   4.046
  176   1HB   LYS 942          HB1       LYS 942  -9.040  14.441   5.915
  177   2HB   LYS 942          HB2       LYS 942  -9.236  12.902   5.105
  178   1HG   LYS 942          HG1       LYS 942  -7.060  12.725   5.590
  179   2HG   LYS 942          HG2       LYS 942  -6.884  13.632   4.084
  180   1HD   LYS 942          HD1       LYS 942  -5.528  14.676   5.762
  181   2HD   LYS 942          HD2       LYS 942  -6.905  15.724   5.400
  182   1HE   LYS 942          HE1       LYS 942  -6.527  15.643   7.800
  183   2HE   LYS 942          HE2       LYS 942  -8.058  14.868   7.397
  184   1HZ   LYS 942          HZ1       LYS 942  -6.858  12.701   7.509
  185   2HZ   LYS 942          HZ2       LYS 942  -5.505  13.530   8.090
  186   3HZ   LYS 942          HZ3       LYS 942  -6.934  13.522   8.988
  187    H    ILE 943           H        ILE 943  -7.870  14.711   1.610
  188    HA   ILE 943           HA       ILE 943  -6.253  16.944   2.424
  189    HB   ILE 943           HB       ILE 943  -5.426  15.090   0.923
  190   1HG1  ILE 943          1HG1      ILE 943  -4.424  17.484   1.208
  191   2HG1  ILE 943          2HG1      ILE 943  -3.813  16.435  -0.062
  192   1HG2  ILE 943          1HG2      ILE 943  -5.805  15.255  -1.474
  193   2HG2  ILE 943          2HG2      ILE 943  -7.311  14.956  -0.607
  194   3HG2  ILE 943          3HG2      ILE 943  -6.948  16.572  -1.211
  195   1HD1  ILE 943          1HD1      ILE 943  -4.103  18.722  -0.838
  196   2HD1  ILE 943          2HD1      ILE 943  -5.170  17.615  -1.702
  197   3HD1  ILE 943          3HD1      ILE 943  -5.818  18.650  -0.431
  198    H    GLN 944           H        GLN 944  -8.902  16.504   0.099
  199    HA   GLN 944           HA       GLN 944  -8.636  18.990  -1.144
  200   1HB   GLN 944          HB1       GLN 944 -11.361  18.388  -1.329
  201   2HB   GLN 944          HB2       GLN 944 -10.100  18.018  -2.493
  202   1HG   GLN 944          HG1       GLN 944  -9.725  15.878  -1.419
  203   2HG   GLN 944          HG2       GLN 944 -10.990  16.241  -0.248
  204   1HE2  GLN 944          2HE2      GLN 944 -12.045  14.367  -0.897
  205   2HE2  GLN 944          1HE2      GLN 944 -12.971  14.298  -2.354
  206    HA   PRO 945           HA       PRO 945 -11.661  21.002   1.854
  207   1HB   PRO 945          HB1       PRO 945 -12.678  19.760   3.975
  208   2HB   PRO 945          HB2       PRO 945 -13.317  19.458   2.354
  209   1HG   PRO 945          HG1       PRO 945 -11.466  17.793   4.002
  210   2HG   PRO 945          HG2       PRO 945 -12.797  17.284   2.949
  211   1HD   PRO 945          HD1       PRO 945 -10.098  17.290   2.262
  212   2HD   PRO 945          HD2       PRO 945 -11.452  17.225   1.118
  213    H    ALA 946           H        ALA 946  -8.720  19.944   2.505
  214    HA   ALA 946           HA       ALA 946  -8.612  21.207   5.169
  215   1HB   ALA 946          HB1       ALA 946  -6.994  18.852   4.230
  216   2HB   ALA 946          HB2       ALA 946  -6.862  19.645   5.800
  217   3HB   ALA 946          HB3       ALA 946  -8.347  18.799   5.359
  218    HA   PRO 947           HA       PRO 947  -5.302  23.717   3.566
  219   1HB   PRO 947          HB1       PRO 947  -4.140  24.488   5.860
  220   2HB   PRO 947          HB2       PRO 947  -5.767  25.026   5.428
  221   1HG   PRO 947          HG1       PRO 947  -4.926  22.850   7.302
  222   2HG   PRO 947          HG2       PRO 947  -6.191  24.077   7.505
  223   1HD   PRO 947          HD1       PRO 947  -6.679  21.499   6.720
  224   2HD   PRO 947          HD2       PRO 947  -7.722  22.872   6.308
  225    HA   PRO 948           HA       PRO 948  -1.362  21.685   3.138
  226   1HB   PRO 948          HB1       PRO 948  -0.109  23.814   4.806
  227   2HB   PRO 948          HB2       PRO 948   0.393  23.181   3.232
  228   1HG   PRO 948          HG1       PRO 948  -0.838  25.531   3.394
  229   2HG   PRO 948          HG2       PRO 948  -1.222  24.400   2.082
  230   1HD   PRO 948          HD1       PRO 948  -2.791  25.081   4.518
  231   2HD   PRO 948          HD2       PRO 948  -3.356  24.650   2.892
  232    H    GLU 949           H        GLU 949  -1.961  22.948   6.359
  233    HA   GLU 949           HA       GLU 949  -0.207  21.418   7.857
  234   1HB   GLU 949          HB1       GLU 949  -2.971  22.405   8.543
  235   2HB   GLU 949          HB2       GLU 949  -1.847  21.728   9.713
  236   1HG   GLU 949          HG1       GLU 949  -0.252  23.527   9.173
  237   2HG   GLU 949          HG2       GLU 949  -1.453  24.226   8.086
  238    H    GLU 950           H        GLU 950  -3.108  20.503   6.226
  239    HA   GLU 950           HA       GLU 950  -3.093  17.912   7.609
  240   1HB   GLU 950          HB1       GLU 950  -5.284  19.145   5.942
  241   2HB   GLU 950          HB2       GLU 950  -5.343  17.562   6.711
  242   1HG   GLU 950          HG1       GLU 950  -5.049  20.165   8.197
  243   2HG   GLU 950          HG2       GLU 950  -6.579  19.330   7.930
  244    H    TYR 951           H        TYR 951  -2.020  19.363   4.841
  245    HA   TYR 951           HA       TYR 951  -2.484  17.377   2.901
  246   1HB   TYR 951          HB1       TYR 951  -0.212  19.319   3.292
  247   2HB   TYR 951          HB2       TYR 951  -0.234  18.175   1.959
  248    HD1  TYR 951           HD1      TYR 951   0.030  20.477   0.780
  249    HD2  TYR 951           HD2      TYR 951  -3.548  19.187   2.679
  250    HE1  TYR 951           HE1      TYR 951  -1.240  22.080  -0.558
  251    HE2  TYR 951           HE2      TYR 951  -4.840  20.793   1.338
  252    HH   TYR 951           HH       TYR 951  -4.576  22.768   0.071
  253    H    VAL 952           H        VAL 952   0.148  17.803   5.275
  254    HA   VAL 952           HA       VAL 952   1.234  15.260   4.552
  255    HB   VAL 952           HB       VAL 952   2.972  16.404   5.399
  256   1HG1  VAL 952          1HG1      VAL 952   1.810  18.395   6.072
  257   2HG1  VAL 952          2HG1      VAL 952   1.155  17.591   7.499
  258   3HG1  VAL 952          3HG1      VAL 952   2.887  17.902   7.379
  259   1HG2  VAL 952          1HG2      VAL 952   2.864  14.323   6.671
  260   2HG2  VAL 952          2HG2      VAL 952   3.598  15.612   7.626
  261   3HG2  VAL 952          3HG2      VAL 952   1.931  15.126   7.932
  262    HA   PRO 953           HA       PRO 953  -1.230  13.649   8.520
  263   1HB   PRO 953          HB1       PRO 953  -3.534  15.467   8.032
  264   2HB   PRO 953          HB2       PRO 953  -2.994  14.713   9.541
  265   1HG   PRO 953          HG1       PRO 953  -2.444  17.254   9.094
  266   2HG   PRO 953          HG2       PRO 953  -1.211  16.188   9.799
  267   1HD   PRO 953          HD1       PRO 953  -1.446  17.227   7.003
  268   2HD   PRO 953          HD2       PRO 953   0.004  16.970   7.991
  269    H    MET 954           H        MET 954  -2.662  14.819   5.450
  270    HA   MET 954           HA       MET 954  -4.506  12.634   5.385
  271   1HB   MET 954          HB1       MET 954  -4.966  13.245   3.062
  272   2HB   MET 954          HB2       MET 954  -5.038  14.633   4.127
  273   1HG   MET 954          HG1       MET 954  -3.999  15.421   2.225
  274   2HG   MET 954          HG2       MET 954  -2.673  15.134   3.346
  275   1HE   MET 954          HE1       MET 954  -2.867  15.414   0.017
  276   2HE   MET 954          HE2       MET 954  -1.319  15.458   0.860
  277   3HE   MET 954          HE3       MET 954  -1.571  14.316  -0.459
  278    H    VAL 955           H        VAL 955  -1.230  13.172   4.283
  279    HA   VAL 955           HA       VAL 955  -1.080  10.703   2.880
  280    HB   VAL 955           HB       VAL 955   0.643  12.739   2.792
  281   1HG1  VAL 955          1HG1      VAL 955   1.369  12.592   5.096
  282   2HG1  VAL 955          2HG1      VAL 955   1.894  10.929   4.839
  283   3HG1  VAL 955          3HG1      VAL 955   2.700  12.249   3.991
  284   1HG2  VAL 955          1HG2      VAL 955   2.269  11.203   1.814
  285   2HG2  VAL 955          2HG2      VAL 955   1.410   9.843   2.540
  286   3HG2  VAL 955          3HG2      VAL 955   0.621  10.830   1.310
  287    H    LYS 956           H        LYS 956  -0.864  11.678   6.172
  288    HA   LYS 956           HA       LYS 956   0.352   9.424   7.315
  289   1HB   LYS 956          HB1       LYS 956  -1.810  11.245   8.336
  290   2HB   LYS 956          HB2       LYS 956  -1.177   9.919   9.300
  291   1HG   LYS 956          HG1       LYS 956   1.116  11.024   8.857
  292   2HG   LYS 956          HG2       LYS 956   0.157  12.443   8.433
  293   1HD   LYS 956          HD1       LYS 956   0.010  10.944  11.053
  294   2HD   LYS 956          HD2       LYS 956   0.873  12.456  10.795
  295   1HE   LYS 956          HE1       LYS 956  -1.151  13.087  11.786
  296   2HE   LYS 956          HE2       LYS 956  -1.370  13.426  10.073
  297   1HZ   LYS 956          HZ1       LYS 956  -2.361  10.970  11.434
  298   2HZ   LYS 956          HZ2       LYS 956  -3.305  12.341  11.129
  299   3HZ   LYS 956          HZ3       LYS 956  -2.679  11.446   9.841
  300    H    GLU 957           H        GLU 957  -2.997  10.005   6.359
  301    HA   GLU 957           HA       GLU 957  -4.179   7.660   7.206
  302   1HB   GLU 957          HB1       GLU 957  -4.832   8.706   4.479
  303   2HB   GLU 957          HB2       GLU 957  -5.914   8.107   5.726
  304   1HG   GLU 957          HG1       GLU 957  -4.438  10.726   5.849
  305   2HG   GLU 957          HG2       GLU 957  -6.100  10.534   5.307
  306    H    VAL 958           H        VAL 958  -2.463   8.277   4.129
  307    HA   VAL 958           HA       VAL 958  -2.590   5.604   3.202
  308    HB   VAL 958           HB       VAL 958  -0.213   7.305   2.557
  309   1HG1  VAL 958          1HG1      VAL 958  -0.385   5.076   1.601
  310   2HG1  VAL 958          2HG1      VAL 958  -1.956   5.484   0.909
  311   3HG1  VAL 958          3HG1      VAL 958  -0.504   6.315   0.348
  312   1HG2  VAL 958          1HG2      VAL 958  -2.037   8.891   2.484
  313   2HG2  VAL 958          2HG2      VAL 958  -1.538   8.482   0.844
  314   3HG2  VAL 958          3HG2      VAL 958  -3.003   7.776   1.518
  315    H    GLY 959           H        GLY 959  -0.380   7.249   5.375
  316   1HA   GLY 959          HA1       GLY 959   1.637   5.269   5.499
  317   2HA   GLY 959          HA2       GLY 959   1.300   6.469   6.740
  318    H    LEU 960           H        LEU 960  -1.301   5.772   7.409
  319    HA   LEU 960           HA       LEU 960  -0.907   3.527   9.107
  320   1HB   LEU 960          HB1       LEU 960  -2.409   5.378   9.678
  321   2HB   LEU 960          HB2       LEU 960  -3.434   4.980   8.314
  322    HG   LEU 960           HG       LEU 960  -3.984   2.819   9.372
  323   1HD1  LEU 960          1HD1      LEU 960  -2.384   3.887  11.697
  324   2HD1  LEU 960          2HD1      LEU 960  -3.378   2.431  11.709
  325   3HD1  LEU 960          3HD1      LEU 960  -1.949   2.512  10.680
  326   1HD2  LEU 960          1HD2      LEU 960  -5.395   3.730  11.144
  327   2HD2  LEU 960          2HD2      LEU 960  -4.475   5.235  11.107
  328   3HD2  LEU 960          3HD2      LEU 960  -5.429   4.748   9.705
  329    H    ALA 961           H        ALA 961  -2.423   4.066   6.038
  330    HA   ALA 961           HA       ALA 961  -3.778   1.711   5.578
  331   1HB   ALA 961          HB1       ALA 961  -2.142   3.231   3.556
  332   2HB   ALA 961          HB2       ALA 961  -3.455   2.107   3.207
  333   3HB   ALA 961          HB3       ALA 961  -3.791   3.622   4.045
  334    H    LEU 962           H        LEU 962  -0.354   2.321   4.615
  335    HA   LEU 962           HA       LEU 962  -0.007  -0.448   4.007
  336   1HB   LEU 962          HB1       LEU 962   1.766   0.269   2.885
  337   2HB   LEU 962          HB2       LEU 962   1.374   1.894   3.411
  338    HG   LEU 962           HG       LEU 962   3.100   0.105   5.112
  339   1HD1  LEU 962          1HD1      LEU 962   5.062   1.059   4.047
  340   2HD1  LEU 962          2HD1      LEU 962   4.093   0.165   2.877
  341   3HD1  LEU 962          3HD1      LEU 962   4.037   1.926   2.902
  342   1HD2  LEU 962          1HD2      LEU 962   2.226   2.145   6.133
  343   2HD2  LEU 962          2HD2      LEU 962   3.974   2.243   5.914
  344   3HD2  LEU 962          3HD2      LEU 962   2.896   3.100   4.811
  345    H    ARG 963           H        ARG 963   0.286   1.385   6.924
  346    HA   ARG 963           HA       ARG 963   2.131  -0.338   8.248
  347   1HB   ARG 963          HB1       ARG 963   1.050   2.102   8.836
  348   2HB   ARG 963          HB2       ARG 963   0.172   1.060   9.946
  349   1HG   ARG 963          HG1       ARG 963   3.170   1.277   9.734
  350   2HG   ARG 963          HG2       ARG 963   2.164   2.005  10.986
  351   1HD   ARG 963          HD1       ARG 963   1.509  -0.173  11.788
  352   2HD   ARG 963          HD2       ARG 963   2.350  -0.960  10.452
  353    HE   ARG 963           HE       ARG 963   4.224   0.590  11.818
  354   1HH1  ARG 963          2HH1      ARG 963   2.215  -2.229  12.421
  355   2HH1  ARG 963          1HH1      ARG 963   3.301  -2.900  13.600
  356   1HH2  ARG 963          2HH2      ARG 963   5.661  -0.309  13.337
  357   2HH2  ARG 963          1HH2      ARG 963   5.262  -1.809  14.123
  358    H    THR 964           H        THR 964  -1.417   0.007   8.590
  359    HA   THR 964           HA       THR 964  -1.870  -2.336  10.037
  360    HB   THR 964           HB       THR 964  -3.748  -1.305   7.902
  361    HG1  THR 964           HG1      THR 964  -3.380   0.529   9.020
  362   1HG2  THR 964          1HG2      THR 964  -4.384  -3.389   9.052
  363   2HG2  THR 964          2HG2      THR 964  -4.256  -2.562  10.604
  364   3HG2  THR 964          3HG2      THR 964  -5.484  -2.067   9.438
  365    H    LEU 965           H        LEU 965  -1.176  -1.789   6.709
  366    HA   LEU 965           HA       LEU 965  -1.925  -4.354   5.732
  367   1HB   LEU 965          HB1       LEU 965  -1.687  -2.369   4.291
  368   2HB   LEU 965          HB2       LEU 965   0.048  -2.396   4.561
  369    HG   LEU 965           HG       LEU 965   0.284  -4.456   3.374
  370   1HD1  LEU 965          1HD1      LEU 965  -2.728  -4.510   3.209
  371   2HD1  LEU 965          2HD1      LEU 965  -1.626  -5.668   2.464
  372   3HD1  LEU 965          3HD1      LEU 965  -1.732  -5.558   4.221
  373   1HD2  LEU 965          1HD2      LEU 965  -0.545  -3.839   1.166
  374   2HD2  LEU 965          2HD2      LEU 965  -1.640  -2.663   1.893
  375   3HD2  LEU 965          3HD2      LEU 965   0.105  -2.431   2.005
  376    H    LEU 966           H        LEU 966   1.155  -2.976   6.834
  377    HA   LEU 966           HA       LEU 966   2.833  -5.108   6.565
  378   1HB   LEU 966          HB1       LEU 966   3.475  -2.940   7.533
  379   2HB   LEU 966          HB2       LEU 966   2.589  -3.323   8.992
  380    HG   LEU 966           HG       LEU 966   4.797  -5.157   8.167
  381   1HD1  LEU 966          1HD1      LEU 966   5.772  -2.936   7.905
  382   2HD1  LEU 966          2HD1      LEU 966   5.197  -2.483   9.509
  383   3HD1  LEU 966          3HD1      LEU 966   6.421  -3.739   9.334
  384   1HD2  LEU 966          1HD2      LEU 966   3.434  -5.716  10.110
  385   2HD2  LEU 966          2HD2      LEU 966   5.079  -5.316  10.608
  386   3HD2  LEU 966          3HD2      LEU 966   3.781  -4.142  10.824
  387    H    ALA 967           H        ALA 967   0.227  -4.781   8.931
  388    HA   ALA 967           HA       ALA 967   0.765  -7.128  10.403
  389   1HB   ALA 967          HB1       ALA 967  -1.558  -7.057  11.097
  390   2HB   ALA 967          HB2       ALA 967  -0.868  -5.434  11.117
  391   3HB   ALA 967          HB3       ALA 967  -1.933  -5.922   9.799
  392    H    THR 968           H        THR 968  -1.356  -6.630   7.552
  393    HA   THR 968           HA       THR 968  -1.983  -9.304   7.077
  394    HB   THR 968           HB       THR 968  -1.774  -6.872   5.338
  395    HG1  THR 968           HG1      THR 968  -4.096  -8.338   5.409
  396   1HG2  THR 968          1HG2      THR 968  -2.531  -9.625   4.354
  397   2HG2  THR 968          2HG2      THR 968  -2.656  -8.121   3.441
  398   3HG2  THR 968          3HG2      THR 968  -1.072  -8.740   3.910
  399    H    VAL 969           H        VAL 969   0.705  -7.365   5.712
  400    HA   VAL 969           HA       VAL 969   2.048  -9.260   4.328
  401    HB   VAL 969           HB       VAL 969   3.256  -7.119   6.083
  402   1HG1  VAL 969          1HG1      VAL 969   5.233  -7.281   4.634
  403   2HG1  VAL 969          2HG1      VAL 969   4.944  -8.774   5.528
  404   3HG1  VAL 969          3HG1      VAL 969   4.510  -8.672   3.823
  405   1HG2  VAL 969          1HG2      VAL 969   2.588  -7.127   3.142
  406   2HG2  VAL 969          2HG2      VAL 969   1.692  -6.280   4.403
  407   3HG2  VAL 969          3HG2      VAL 969   3.349  -5.806   4.031
  408    H    ASP 970           H        ASP 970   1.885  -9.025   7.830
  409    HA   ASP 970           HA       ASP 970   4.006 -10.880   8.301
  410   1HB   ASP 970          HB1       ASP 970   3.263  -9.274  10.027
  411   2HB   ASP 970          HB2       ASP 970   1.710 -10.097  10.113
  412    H    GLU 971           H        GLU 971   0.582 -11.233   7.688
  413    HA   GLU 971           HA       GLU 971   0.423 -14.000   8.313
  414   1HB   GLU 971          HB1       GLU 971  -1.074 -12.561   6.112
  415   2HB   GLU 971          HB2       GLU 971  -1.572 -14.019   6.958
  416   1HG   GLU 971          HG1       GLU 971  -1.263 -11.327   8.257
  417   2HG   GLU 971          HG2       GLU 971  -2.789 -11.964   7.632
  418    H    SER 972           H        SER 972   0.723 -12.390   5.138
  419    HA   SER 972           HA       SER 972   1.583 -14.526   3.684
  420   1HB   SER 972          HB1       SER 972   2.467 -12.772   2.149
  421   2HB   SER 972          HB2       SER 972   0.793 -12.524   2.672
  422    HG   SER 972           HG       SER 972   2.803 -11.344   4.209
  423    H    LEU 973           H        LEU 973   3.427 -12.737   6.034
  424    HA   LEU 973           HA       LEU 973   5.989 -13.090   4.989
  425   1HB   LEU 973          HB1       LEU 973   5.477 -11.660   6.930
  426   2HB   LEU 973          HB2       LEU 973   5.203 -13.091   7.905
  427    HG   LEU 973           HG       LEU 973   7.559 -13.742   7.617
  428   1HD1  LEU 973          1HD1      LEU 973   7.828 -11.107   6.168
  429   2HD1  LEU 973          2HD1      LEU 973   9.151 -12.177   6.627
  430   3HD1  LEU 973          3HD1      LEU 973   7.962 -12.706   5.438
  431   1HD2  LEU 973          1HD2      LEU 973   6.866 -12.379   9.534
  432   2HD2  LEU 973          2HD2      LEU 973   8.520 -12.020   9.036
  433   3HD2  LEU 973          3HD2      LEU 973   7.210 -10.918   8.611
  434    HA   PRO 974           HA       PRO 974   6.183 -17.537   7.090
  435   1HB   PRO 974          HB1       PRO 974   3.239 -17.968   7.308
  436   2HB   PRO 974          HB2       PRO 974   4.545 -18.581   8.332
  437   1HG   PRO 974          HG1       PRO 974   3.007 -16.594   9.176
  438   2HG   PRO 974          HG2       PRO 974   4.753 -16.574   9.485
  439   1HD   PRO 974          HD1       PRO 974   3.170 -15.061   7.452
  440   2HD   PRO 974          HD2       PRO 974   4.548 -14.528   8.432
  441    H    VAL 975           H        VAL 975   3.693 -16.235   4.996
  442    HA   VAL 975           HA       VAL 975   3.622 -18.551   3.247
  443    HB   VAL 975           HB       VAL 975   2.781 -15.725   2.619
  444   1HG1  VAL 975          1HG1      VAL 975   1.373 -16.789   0.919
  445   2HG1  VAL 975          2HG1      VAL 975   3.086 -17.106   0.638
  446   3HG1  VAL 975          3HG1      VAL 975   2.061 -18.357   1.340
  447   1HG2  VAL 975          1HG2      VAL 975   0.526 -16.471   3.206
  448   2HG2  VAL 975          2HG2      VAL 975   1.172 -18.035   3.701
  449   3HG2  VAL 975          3HG2      VAL 975   1.619 -16.575   4.586
  450    H    LEU 976           H        LEU 976   5.817 -15.960   3.671
  451    HA   LEU 976           HA       LEU 976   6.911 -15.934   1.062
  452   1HB   LEU 976          HB1       LEU 976   7.412 -14.029   2.221
  453   2HB   LEU 976          HB2       LEU 976   7.813 -14.878   3.703
  454    HG   LEU 976           HG       LEU 976   9.624 -15.184   1.338
  455   1HD1  LEU 976          1HD1      LEU 976   9.208 -12.790   1.413
  456   2HD1  LEU 976          2HD1      LEU 976   9.541 -12.769   3.146
  457   3HD1  LEU 976          3HD1      LEU 976  10.830 -13.150   2.004
  458   1HD2  LEU 976          1HD2      LEU 976  11.328 -15.307   3.059
  459   2HD2  LEU 976          2HD2      LEU 976  10.139 -14.916   4.301
  460   3HD2  LEU 976          3HD2      LEU 976  10.027 -16.441   3.422
  461    HA   PRO 977           HA       PRO 977  10.062 -19.270   2.726
  462   1HB   PRO 977          HB1       PRO 977   8.338 -20.477   4.825
  463   2HB   PRO 977          HB2       PRO 977  10.092 -20.274   4.792
  464   1HG   PRO 977          HG1       PRO 977   8.580 -18.735   6.342
  465   2HG   PRO 977          HG2       PRO 977   9.985 -18.069   5.485
  466   1HD   PRO 977          HD1       PRO 977   7.075 -17.844   4.822
  467   2HD   PRO 977          HD2       PRO 977   8.352 -16.618   4.714
  468    H    ALA 978           H        ALA 978   6.560 -19.450   2.804
  469    HA   ALA 978           HA       ALA 978   6.333 -22.050   1.696
  470   1HB   ALA 978          HB1       ALA 978   4.499 -20.964   2.900
  471   2HB   ALA 978          HB2       ALA 978   4.345 -19.787   1.596
  472   3HB   ALA 978          HB3       ALA 978   4.008 -21.490   1.289
  473    H    SER 979           H        SER 979   5.659 -18.899   0.103
  474    HA   SER 979           HA       SER 979   6.915 -19.705  -2.335
  475   1HB   SER 979          HB1       SER 979   3.936 -19.991  -2.053
  476   2HB   SER 979          HB2       SER 979   4.662 -19.640  -3.627
  477    HG   SER 979           HG       SER 979   5.781 -21.725  -2.146
  478    H    THR 980           H        THR 980   4.952 -17.428  -0.561
  479    HA   THR 980           HA       THR 980   4.461 -15.626  -2.673
  480    HB   THR 980           HB       THR 980   3.221 -15.674  -0.442
  481    HG1  THR 980           HG1      THR 980   3.798 -13.026  -0.955
  482   1HG2  THR 980          1HG2      THR 980   5.468 -13.794   0.291
  483   2HG2  THR 980          2HG2      THR 980   3.999 -14.076   1.227
  484   3HG2  THR 980          3HG2      THR 980   5.177 -15.372   1.023
  485    H    HIS 981           H        HIS 981   7.371 -16.263  -1.182
  486    HA   HIS 981           HA       HIS 981   8.510 -13.927  -0.400
  487   1HB   HIS 981          HB1       HIS 981   9.604 -16.132  -0.255
  488   2HB   HIS 981          HB2       HIS 981   9.848 -16.137  -1.994
  489    HD1  HIS 981           HD1      HIS 981  11.835 -15.897   0.780
  490    HD2  HIS 981           HD2      HIS 981  11.400 -13.400  -2.515
  491    HE1  HIS 981           HE1      HIS 981  13.939 -14.527   0.679
  492    HE2  HIS 981           HE2      HIS 981  13.525 -12.854  -1.159
  493    H    ARG 982           H        ARG 982   8.430 -15.109  -3.780
  494    HA   ARG 982           HA       ARG 982   9.890 -13.075  -4.962
  495   1HB   ARG 982          HB1       ARG 982   7.532 -14.637  -5.996
  496   2HB   ARG 982          HB2       ARG 982   8.421 -13.499  -6.995
  497   1HG   ARG 982          HG1       ARG 982  10.443 -14.791  -6.737
  498   2HG   ARG 982          HG2       ARG 982   9.620 -15.898  -5.635
  499   1HD   ARG 982          HD1       ARG 982   9.822 -16.769  -7.951
  500   2HD   ARG 982          HD2       ARG 982   8.158 -16.646  -7.386
  501    HE   ARG 982           HE       ARG 982   8.545 -14.296  -8.680
  502   1HH1  ARG 982          2HH1      ARG 982   8.962 -17.656  -9.584
  503   2HH1  ARG 982          1HH1      ARG 982   8.701 -17.360 -11.279
  504   1HH2  ARG 982          2HH2      ARG 982   8.175 -13.909 -10.875
  505   2HH2  ARG 982          1HH2      ARG 982   8.248 -15.220 -12.013
  506    H    GLU 983           H        GLU 983   6.345 -13.150  -4.645
  507    HA   GLU 983           HA       GLU 983   6.097 -10.450  -5.497
  508   1HB   GLU 983          HB1       GLU 983   4.205 -12.492  -4.625
  509   2HB   GLU 983          HB2       GLU 983   3.740 -10.858  -4.223
  510   1HG   GLU 983          HG1       GLU 983   2.815 -11.232  -6.302
  511   2HG   GLU 983          HG2       GLU 983   4.258 -10.254  -6.589
  512    H    ILE 984           H        ILE 984   6.004 -11.901  -2.266
  513    HA   ILE 984           HA       ILE 984   5.106  -9.542  -1.012
  514    HB   ILE 984           HB       ILE 984   5.047 -11.822   0.031
  515   1HG1  ILE 984          1HG1      ILE 984   5.567 -11.011   2.325
  516   2HG1  ILE 984          2HG1      ILE 984   6.370  -9.607   1.626
  517   1HG2  ILE 984          1HG2      ILE 984   7.981 -11.275   0.503
  518   2HG2  ILE 984          2HG2      ILE 984   7.055 -12.586   1.236
  519   3HG2  ILE 984          3HG2      ILE 984   7.302 -12.549  -0.510
  520   1HD1  ILE 984          1HD1      ILE 984   4.280  -8.869   0.655
  521   2HD1  ILE 984          2HD1      ILE 984   3.465 -10.304   1.278
  522   3HD1  ILE 984          3HD1      ILE 984   4.109  -9.101   2.395
  523    H    GLU 985           H        GLU 985   8.254 -10.620  -2.069
  524    HA   GLU 985           HA       GLU 985   9.653  -8.466  -0.832
  525   1HB   GLU 985          HB1       GLU 985  10.362 -10.340  -3.072
  526   2HB   GLU 985          HB2       GLU 985  11.426  -9.029  -2.576
  527   1HG   GLU 985          HG1       GLU 985  10.617 -10.443  -0.253
  528   2HG   GLU 985          HG2       GLU 985  11.159 -11.611  -1.457
  529    H    MET 986           H        MET 986   7.986  -8.864  -3.970
  530    HA   MET 986           HA       MET 986   9.246  -6.605  -5.101
  531   1HB   MET 986          HB1       MET 986   7.739  -6.696  -6.944
  532   2HB   MET 986          HB2       MET 986   8.242  -8.322  -6.532
  533   1HG   MET 986          HG1       MET 986   6.136  -8.867  -5.668
  534   2HG   MET 986          HG2       MET 986   5.639  -7.178  -5.591
  535   1HE   MET 986          HE1       MET 986   6.307  -9.334  -9.618
  536   2HE   MET 986          HE2       MET 986   7.602  -8.763  -8.569
  537   3HE   MET 986          HE3       MET 986   6.598 -10.122  -8.067
  538    H    ALA 987           H        ALA 987   5.911  -6.920  -3.961
  539    HA   ALA 987           HA       ALA 987   5.497  -4.111  -4.183
  540   1HB   ALA 987          HB1       ALA 987   3.748  -5.736  -4.698
  541   2HB   ALA 987          HB2       ALA 987   3.678  -6.171  -2.989
  542   3HB   ALA 987          HB3       ALA 987   3.247  -4.540  -3.503
  543    H    GLN 988           H        GLN 988   6.096  -6.299  -1.430
  544    HA   GLN 988           HA       GLN 988   5.163  -4.380   0.457
  545   1HB   GLN 988          HB1       GLN 988   5.188  -6.715   1.072
  546   2HB   GLN 988          HB2       GLN 988   6.927  -6.801   0.854
  547   1HG   GLN 988          HG1       GLN 988   6.009  -4.793   2.792
  548   2HG   GLN 988          HG2       GLN 988   5.691  -6.470   3.231
  549   1HE2  GLN 988          2HE2      GLN 988   7.421  -7.868   3.563
  550   2HE2  GLN 988          1HE2      GLN 988   9.026  -7.297   3.837
  551    H    LYS 989           H        LYS 989   8.418  -5.274  -0.696
  552    HA   LYS 989           HA       LYS 989   9.784  -3.286   0.800
  553   1HB   LYS 989          HB1       LYS 989  10.499  -4.587  -1.838
  554   2HB   LYS 989          HB2       LYS 989  11.585  -3.565  -0.909
  555   1HG   LYS 989          HG1       LYS 989  10.404  -6.159   0.069
  556   2HG   LYS 989          HG2       LYS 989  12.020  -5.970  -0.614
  557   1HD   LYS 989          HD1       LYS 989  12.559  -4.366   1.183
  558   2HD   LYS 989          HD2       LYS 989  10.965  -4.652   1.884
  559   1HE   LYS 989          HE1       LYS 989  12.713  -5.955   3.008
  560   2HE   LYS 989          HE2       LYS 989  11.512  -6.990   2.235
  561   1HZ   LYS 989          HZ1       LYS 989  13.972  -7.558   1.946
  562   2HZ   LYS 989          HZ2       LYS 989  12.993  -7.593   0.563
  563   3HZ   LYS 989          HZ3       LYS 989  14.019  -6.270   0.848
  564    H    LEU 990           H        LEU 990   7.920  -3.298  -2.085
  565    HA   LEU 990           HA       LEU 990   8.773  -0.807  -3.161
  566   1HB   LEU 990          HB1       LEU 990   7.879  -2.415  -4.627
  567   2HB   LEU 990          HB2       LEU 990   6.485  -2.696  -3.615
  568    HG   LEU 990           HG       LEU 990   5.463  -0.668  -4.324
  569   1HD1  LEU 990          1HD1      LEU 990   7.441   0.772  -4.440
  570   2HD1  LEU 990          2HD1      LEU 990   8.033  -0.128  -5.836
  571   3HD1  LEU 990          3HD1      LEU 990   6.557   0.828  -5.964
  572   1HD2  LEU 990          1HD2      LEU 990   5.190  -2.574  -5.783
  573   2HD2  LEU 990          2HD2      LEU 990   5.263  -1.090  -6.733
  574   3HD2  LEU 990          3HD2      LEU 990   6.668  -2.154  -6.650
  575    H    LEU 991           H        LEU 991   6.121  -1.843  -1.062
  576    HA   LEU 991           HA       LEU 991   4.685   0.553  -0.911
  577   1HB   LEU 991          HB1       LEU 991   5.112  -1.520   1.244
  578   2HB   LEU 991          HB2       LEU 991   3.844  -0.311   1.229
  579    HG   LEU 991           HG       LEU 991   4.100  -2.375  -0.933
  580   1HD1  LEU 991          1HD1      LEU 991   3.923  -3.545   1.200
  581   2HD1  LEU 991          2HD1      LEU 991   2.533  -2.553   1.644
  582   3HD1  LEU 991          3HD1      LEU 991   2.418  -3.679   0.291
  583   1HD2  LEU 991          1HD2      LEU 991   1.725  -1.881  -1.247
  584   2HD2  LEU 991          2HD2      LEU 991   1.786  -0.713   0.074
  585   3HD2  LEU 991          3HD2      LEU 991   2.703  -0.421  -1.405
  586    H    ASN 992           H        ASN 992   6.941  -0.747   1.525
  587    HA   ASN 992           HA       ASN 992   7.300   1.424   3.107
  588   1HB   ASN 992          HB1       ASN 992   8.329  -0.763   3.523
  589   2HB   ASN 992          HB2       ASN 992   9.447  -0.503   2.189
  590   1HD2  ASN 992          2HD2      ASN 992  11.267  -0.655   3.454
  591   2HD2  ASN 992          1HD2      ASN 992  11.721   0.557   4.606
  592    H    SER 993           H        SER 993   8.778   0.855  -0.030
  593    HA   SER 993           HA       SER 993  10.574   3.037   0.053
  594   1HB   SER 993          HB1       SER 993   9.400   1.540  -2.303
  595   2HB   SER 993          HB2       SER 993  10.723   2.699  -2.411
  596    HG   SER 993           HG       SER 993  10.673   0.128  -1.257
  597    H    ASP 994           H        ASP 994   7.385   2.702  -1.626
  598    HA   ASP 994           HA       ASP 994   7.659   5.536  -2.235
  599   1HB   ASP 994          HB1       ASP 994   6.071   3.357  -3.478
  600   2HB   ASP 994          HB2       ASP 994   5.536   5.026  -3.679
  601    H    LEU 995           H        LEU 995   5.648   3.621  -0.033
  602    HA   LEU 995           HA       LEU 995   3.863   5.703   0.536
  603   1HB   LEU 995          HB1       LEU 995   3.620   3.509   1.590
  604   2HB   LEU 995          HB2       LEU 995   5.156   3.700   2.407
  605    HG   LEU 995           HG       LEU 995   2.988   4.003   3.752
  606   1HD1  LEU 995          1HD1      LEU 995   5.172   4.554   4.654
  607   2HD1  LEU 995          2HD1      LEU 995   5.108   6.139   3.884
  608   3HD1  LEU 995          3HD1      LEU 995   3.966   5.733   5.165
  609   1HD2  LEU 995          1HD2      LEU 995   2.072   6.277   3.755
  610   2HD2  LEU 995          2HD2      LEU 995   3.072   6.668   2.355
  611   3HD2  LEU 995          3HD2      LEU 995   1.806   5.448   2.221
  612    H    ALA 996           H        ALA 996   7.083   5.004   1.974
  613    HA   ALA 996           HA       ALA 996   7.498   7.369   3.261
  614   1HB   ALA 996          HB1       ALA 996   9.541   5.828   1.672
  615   2HB   ALA 996          HB2       ALA 996   9.906   7.055   2.886
  616   3HB   ALA 996          HB3       ALA 996   9.104   5.554   3.358
  617    H    GLU 997           H        GLU 997   7.482   6.845  -0.187
  618    HA   GLU 997           HA       GLU 997   8.794   9.271  -0.877
  619   1HB   GLU 997          HB1       GLU 997   8.576   7.565  -2.553
  620   2HB   GLU 997          HB2       GLU 997   6.826   7.557  -2.398
  621   1HG   GLU 997          HG1       GLU 997   7.402   8.699  -4.408
  622   2HG   GLU 997          HG2       GLU 997   6.794   9.883  -3.253
  623    H    LEU 998           H        LEU 998   5.442   8.338  -0.315
  624    HA   LEU 998           HA       LEU 998   4.446  10.931  -1.061
  625   1HB   LEU 998          HB1       LEU 998   3.244   8.391  -0.098
  626   2HB   LEU 998          HB2       LEU 998   2.320   9.867   0.105
  627    HG   LEU 998           HG       LEU 998   1.654   8.787  -1.941
  628   1HD1  LEU 998          1HD1      LEU 998   2.045  10.609  -3.503
  629   2HD1  LEU 998          2HD1      LEU 998   1.726  11.237  -1.887
  630   3HD1  LEU 998          3HD1      LEU 998   3.376  11.197  -2.506
  631   1HD2  LEU 998          1HD2      LEU 998   4.553   8.982  -2.748
  632   2HD2  LEU 998          2HD2      LEU 998   3.692   7.497  -2.338
  633   3HD2  LEU 998          3HD2      LEU 998   3.230   8.421  -3.769
  634    H    ILE 999           H        ILE 999   4.675   9.104   1.961
  635    HA   ILE 999           HA       ILE 999   3.575  11.039   3.659
  636    HB   ILE 999           HB       ILE 999   4.093   8.668   4.296
  637   1HG1  ILE 999          1HG1      ILE 999   5.159  10.767   6.196
  638   2HG1  ILE 999          2HG1      ILE 999   3.454  10.393   5.956
  639   1HG2  ILE 999          1HG2      ILE 999   6.883   9.750   4.640
  640   2HG2  ILE 999          2HG2      ILE 999   6.319   8.182   5.221
  641   3HG2  ILE 999          3HG2      ILE 999   6.367   8.517   3.490
  642   1HD1  ILE 999          1HD1      ILE 999   5.540   8.504   7.023
  643   2HD1  ILE 999          2HD1      ILE 999   4.314   9.349   7.970
  644   3HD1  ILE 999          3HD1      ILE 999   3.833   8.133   6.786
  645    H    ASN1000           H        ASN1000   6.423  11.128   1.955
  646    HA   ASN1000           HA       ASN1000   7.676  13.049   3.816
  647   1HB   ASN1000          HB1       ASN1000   9.293  11.421   3.805
  648   2HB   ASN1000          HB2       ASN1000   8.827  10.810   2.226
  649   1HD2  ASN1000          2HD2      ASN1000   9.771  11.638   0.405
  650   2HD2  ASN1000          1HD2      ASN1000  11.170  12.647   0.458
  651    H    LYS1001           H        LYS1001   6.518  12.401   0.619
  652    HA   LYS1001           HA       LYS1001   7.736  14.758  -0.500
  653   1HB   LYS1001          HB1       LYS1001   7.000  12.550  -1.718
  654   2HB   LYS1001          HB2       LYS1001   5.452  13.373  -1.838
  655   1HG   LYS1001          HG1       LYS1001   6.941  13.630  -3.827
  656   2HG   LYS1001          HG2       LYS1001   6.402  15.150  -3.105
  657   1HD   LYS1001          HD1       LYS1001   8.496  15.550  -2.117
  658   2HD   LYS1001          HD2       LYS1001   9.016  13.880  -2.343
  659   1HE   LYS1001          HE1       LYS1001   8.433  15.712  -4.652
  660   2HE   LYS1001          HE2       LYS1001  10.020  15.631  -3.890
  661   1HZ   LYS1001          HZ1       LYS1001   8.580  13.375  -5.173
  662   2HZ   LYS1001          HZ2       LYS1001   9.937  14.178  -5.789
  663   3HZ   LYS1001          HZ3       LYS1001  10.068  13.248  -4.374
  664    H    MET1002           H        MET1002   4.532  13.885   0.742
  665    HA   MET1002           HA       MET1002   3.510  16.485   0.080
  666   1HB   MET1002          HB1       MET1002   1.981  14.538   0.253
  667   2HB   MET1002          HB2       MET1002   2.361  14.424   1.970
  668   1HG   MET1002          HG1       MET1002   0.425  15.625   2.031
  669   2HG   MET1002          HG2       MET1002   1.633  16.909   2.024
  670   1HE   MET1002          HE1       MET1002   1.392  18.282  -1.635
  671   2HE   MET1002          HE2       MET1002   2.098  18.502  -0.035
  672   3HE   MET1002          HE3       MET1002   2.560  17.111  -1.018
  673    H    LYS1003           H        LYS1003   4.799  14.750   2.903
  674    HA   LYS1003           HA       LYS1003   4.791  16.923   4.649
  675   1HB   LYS1003          HB1       LYS1003   5.500  14.689   5.353
  676   2HB   LYS1003          HB2       LYS1003   6.913  14.795   4.308
  677   1HG   LYS1003          HG1       LYS1003   7.728  16.688   5.603
  678   2HG   LYS1003          HG2       LYS1003   6.321  16.565   6.659
  679   1HD   LYS1003          HD1       LYS1003   8.190  15.504   7.741
  680   2HD   LYS1003          HD2       LYS1003   7.045  14.256   7.247
  681   1HE   LYS1003          HE1       LYS1003   8.396  13.625   5.401
  682   2HE   LYS1003          HE2       LYS1003   9.432  15.041   5.588
  683   1HZ   LYS1003          HZ1       LYS1003   9.214  12.784   7.514
  684   2HZ   LYS1003          HZ2       LYS1003  10.503  13.061   6.444
  685   3HZ   LYS1003          HZ3       LYS1003  10.199  14.154   7.706
  686    H    LEU1004           H        LEU1004   6.801  16.140   1.911
  687    HA   LEU1004           HA       LEU1004   8.896  18.011   2.423
  688   1HB   LEU1004          HB1       LEU1004   9.065  15.979   0.949
  689   2HB   LEU1004          HB2       LEU1004   8.084  16.825  -0.226
  690    HG   LEU1004           HG       LEU1004  10.693  18.003   0.707
  691   1HD1  LEU1004          1HD1      LEU1004  11.197  15.736  -0.019
  692   2HD1  LEU1004          2HD1      LEU1004  10.316  16.009  -1.522
  693   3HD1  LEU1004          3HD1      LEU1004  11.792  16.915  -1.189
  694   1HD2  LEU1004          1HD2      LEU1004   9.171  18.226  -1.895
  695   2HD2  LEU1004          2HD2      LEU1004   9.171  19.430  -0.606
  696   3HD2  LEU1004          3HD2      LEU1004  10.660  19.077  -1.484
  697    H    ALA1005           H        ALA1005   6.140  17.990   0.180
  698    HA   ALA1005           HA       ALA1005   6.536  20.501  -0.926
  699   1HB   ALA1005          HB1       ALA1005   3.921  19.117  -0.330
  700   2HB   ALA1005          HB2       ALA1005   4.141  20.462  -1.450
  701   3HB   ALA1005          HB3       ALA1005   4.902  18.906  -1.782
  702    H    GLN1006           H        GLN1006   4.759  19.531   1.921
  703    HA   GLN1006           HA       GLN1006   3.978  22.182   2.617
  704   1HB   GLN1006          HB1       GLN1006   3.852  19.527   4.050
  705   2HB   GLN1006          HB2       GLN1006   3.221  21.021   4.745
  706   1HG   GLN1006          HG1       GLN1006   2.036  19.218   2.872
  707   2HG   GLN1006          HG2       GLN1006   1.309  20.559   3.753
  708   1HE2  GLN1006          2HE2      GLN1006   1.415  22.673   2.775
  709   2HE2  GLN1006          1HE2      GLN1006   1.529  22.832   1.056
  710    H    GLN1007           H        GLN1007   6.838  20.397   2.971
  711    HA   GLN1007           HA       GLN1007   7.671  21.826   5.334
  712   1HB   GLN1007          HB1       GLN1007   8.102  19.264   4.376
  713   2HB   GLN1007          HB2       GLN1007   9.611  20.088   4.053
  714   1HG   GLN1007          HG1       GLN1007   9.665  18.935   6.183
  715   2HG   GLN1007          HG2       GLN1007   9.800  20.680   6.417
  716   1HE2  GLN1007          2HE2      GLN1007   6.761  19.101   5.624
  717   2HE2  GLN1007          1HE2      GLN1007   6.021  19.367   7.170
  718    H    TYR1008           H        TYR1008   8.433  21.511   1.964
  719    HA   TYR1008           HA       TYR1008  10.688  23.351   2.126
  720   1HB   TYR1008          HB1       TYR1008  10.846  21.288   0.822
  721   2HB   TYR1008          HB2       TYR1008   9.432  21.739  -0.110
  722    HD1  TYR1008           HD1      TYR1008  12.755  23.280   0.728
  723    HD2  TYR1008           HD2      TYR1008   9.832  22.359  -2.231
  724    HE1  TYR1008           HE1      TYR1008  14.218  24.247  -0.999
  725    HE2  TYR1008           HE2      TYR1008  11.294  23.318  -3.974
  726    HH   TYR1008           HH       TYR1008  14.571  24.054  -3.433
  727    H    VAL1009           H        VAL1009   7.513  23.578   2.133
  728    HA   VAL1009           HA       VAL1009   6.297  25.020   0.340
  729    HB   VAL1009           HB       VAL1009   5.250  24.570   2.442
  730   1HG1  VAL1009          1HG1      VAL1009   7.124  24.913   3.936
  731   2HG1  VAL1009          2HG1      VAL1009   7.087  26.648   3.624
  732   3HG1  VAL1009          3HG1      VAL1009   5.745  25.874   4.467
  733   1HG2  VAL1009          1HG2      VAL1009   4.054  26.643   2.841
  734   2HG2  VAL1009          2HG2      VAL1009   5.319  27.558   2.021
  735   3HG2  VAL1009          3HG2      VAL1009   4.321  26.422   1.111
  736    H    MET1010           H        MET1010   6.583  26.657  -0.881
  737    HA   MET1010           HA       MET1010   7.760  29.117   0.216
  738   1HB   MET1010          HB1       MET1010   9.389  28.020  -1.321
  739   2HB   MET1010          HB2       MET1010   8.182  28.076  -2.599
  740   1HG   MET1010          HG1       MET1010   8.182  30.545  -2.425
  741   2HG   MET1010          HG2       MET1010   9.484  30.428  -1.241
  742   1HE   MET1010          HE1       MET1010  11.032  27.848  -2.559
  743   2HE   MET1010          HE2       MET1010  12.294  28.708  -3.442
  744   3HE   MET1010          HE3       MET1010  11.845  29.226  -1.817
  745    H    THR1011           H        THR1011   6.787  31.022  -0.561
  746    HA   THR1011           HA       THR1011   4.066  31.013  -0.959
  747    HB   THR1011           HB       THR1011   5.891  33.153  -2.057
  748    HG1  THR1011           HG1      THR1011   5.260  32.439   0.609
  749   1HG2  THR1011          1HG2      THR1011   3.152  33.306  -0.788
  750   2HG2  THR1011          2HG2      THR1011   4.074  34.656  -1.447
  751   3HG2  THR1011          3HG2      THR1011   3.477  33.393  -2.522
  752    H    SER1012           H        SER1012   2.987  30.050  -2.531
  753    HA   SER1012           HA       SER1012   2.042  29.742  -4.559
  754   1HB   SER1012          HB1       SER1012   2.616  32.138  -4.997
  755   2HB   SER1012          HB2       SER1012   4.121  31.591  -5.738
  756    HG   SER1012           HG       SER1012   2.610  31.843  -7.356
  757    H    LEU1013           H        LEU1013   5.593  29.631  -4.587
  758    HA   LEU1013           HA       LEU1013   5.723  27.743  -6.729
  759   1HB   LEU1013          HB1       LEU1013   7.729  28.698  -4.705
  760   2HB   LEU1013          HB2       LEU1013   8.105  27.385  -5.803
  761    HG   LEU1013           HG       LEU1013   7.545  28.976  -7.701
  762   1HD1  LEU1013          1HD1      LEU1013   7.705  31.362  -7.217
  763   2HD1  LEU1013          2HD1      LEU1013   6.302  30.635  -6.433
  764   3HD1  LEU1013          3HD1      LEU1013   7.743  31.011  -5.489
  765   1HD2  LEU1013          1HD2      LEU1013   9.737  30.048  -7.616
  766   2HD2  LEU1013          2HD2      LEU1013   9.876  29.636  -5.907
  767   3HD2  LEU1013          3HD2      LEU1013   9.825  28.358  -7.122
  768    H    GLN1014           H        GLN1014   4.759  27.451  -3.568
  769    HA   GLN1014           HA       GLN1014   5.733  25.021  -2.660
  770   1HB   GLN1014          HB1       GLN1014   4.137  26.755  -1.562
  771   2HB   GLN1014          HB2       GLN1014   2.857  25.818  -2.317
  772   1HG   GLN1014          HG1       GLN1014   4.874  24.468  -0.590
  773   2HG   GLN1014          HG2       GLN1014   3.522  25.342   0.129
  774   1HE2  GLN1014          2HE2      GLN1014   4.525  22.580  -1.687
  775   2HE2  GLN1014          1HE2      GLN1014   2.987  21.772  -1.675
  776    H    GLN1015           H        GLN1015   3.164  25.691  -4.965
  777    HA   GLN1015           HA       GLN1015   1.908  23.200  -4.936
  778   1HB   GLN1015          HB1       GLN1015   0.874  23.872  -7.027
  779   2HB   GLN1015          HB2       GLN1015   0.873  25.200  -5.877
  780   1HG   GLN1015          HG1       GLN1015   2.887  26.109  -7.019
  781   2HG   GLN1015          HG2       GLN1015   2.703  24.853  -8.239
  782   1HE2  GLN1015          2HE2      GLN1015  -0.204  24.962  -8.187
  783   2HE2  GLN1015          1HE2      GLN1015  -0.645  26.424  -9.008
  784    H    GLU1016           H        GLU1016   4.806  24.258  -6.602
  785    HA   GLU1016           HA       GLU1016   5.127  22.260  -8.486
  786   1HB   GLU1016          HB1       GLU1016   6.668  24.072  -8.383
  787   2HB   GLU1016          HB2       GLU1016   7.067  23.734  -6.710
  788   1HG   GLU1016          HG1       GLU1016   8.864  23.143  -8.244
  789   2HG   GLU1016          HG2       GLU1016   8.270  21.745  -7.354
  790    H    TYR1017           H        TYR1017   6.429  22.271  -5.197
  791    HA   TYR1017           HA       TYR1017   7.182  19.647  -4.975
  792   1HB   TYR1017          HB1       TYR1017   5.943  20.806  -2.527
  793   2HB   TYR1017          HB2       TYR1017   7.521  20.061  -2.742
  794    HD1  TYR1017           HD1      TYR1017   8.272  22.085  -5.068
  795    HD2  TYR1017           HD2      TYR1017   6.770  22.520  -1.083
  796    HE1  TYR1017           HE1      TYR1017   9.226  24.338  -4.961
  797    HE2  TYR1017           HE2      TYR1017   7.708  24.779  -1.006
  798    HH   TYR1017           HH       TYR1017   9.517  26.063  -2.084
  799    H    LYS1018           H        LYS1018   3.988  21.024  -4.708
  800    HA   LYS1018           HA       LYS1018   2.730  18.772  -3.504
  801   1HB   LYS1018          HB1       LYS1018   1.733  20.948  -3.262
  802   2HB   LYS1018          HB2       LYS1018   1.608  21.138  -5.004
  803   1HG   LYS1018          HG1       LYS1018  -0.037  19.354  -5.101
  804   2HG   LYS1018          HG2       LYS1018   0.114  19.103  -3.360
  805   1HD   LYS1018          HD1       LYS1018  -0.747  21.309  -2.921
  806   2HD   LYS1018          HD2       LYS1018  -0.764  21.687  -4.645
  807   1HE   LYS1018          HE1       LYS1018  -2.372  19.477  -3.374
  808   2HE   LYS1018          HE2       LYS1018  -2.994  21.094  -3.697
  809   1HZ   LYS1018          HZ1       LYS1018  -1.938  19.232  -5.761
  810   2HZ   LYS1018          HZ2       LYS1018  -3.579  19.503  -5.446
  811   3HZ   LYS1018          HZ3       LYS1018  -2.610  20.760  -6.046
  812    H    LYS1019           H        LYS1019   2.953  19.907  -6.883
  813    HA   LYS1019           HA       LYS1019   1.248  17.836  -7.846
  814   1HB   LYS1019          HB1       LYS1019   1.913  18.531 -10.088
  815   2HB   LYS1019          HB2       LYS1019   1.475  19.911  -9.096
  816   1HG   LYS1019          HG1       LYS1019   3.823  20.444  -8.768
  817   2HG   LYS1019          HG2       LYS1019   4.284  19.026  -9.714
  818   1HD   LYS1019          HD1       LYS1019   3.079  19.958 -11.650
  819   2HD   LYS1019          HD2       LYS1019   2.704  21.397 -10.702
  820   1HE   LYS1019          HE1       LYS1019   4.617  21.746 -12.188
  821   2HE   LYS1019          HE2       LYS1019   5.059  21.907 -10.490
  822   1HZ   LYS1019          HZ1       LYS1019   5.384  19.286 -11.758
  823   2HZ   LYS1019          HZ2       LYS1019   6.494  20.502 -12.152
  824   3HZ   LYS1019          HZ3       LYS1019   6.305  20.020 -10.535
  825    H    GLN1020           H        GLN1020   4.728  18.099  -7.373
  826    HA   GLN1020           HA       GLN1020   5.497  15.710  -8.604
  827   1HB   GLN1020          HB1       GLN1020   6.507  16.946  -6.036
  828   2HB   GLN1020          HB2       GLN1020   7.315  15.652  -6.908
  829   1HG   GLN1020          HG1       GLN1020   7.671  17.111  -8.803
  830   2HG   GLN1020          HG2       GLN1020   6.775  18.403  -8.003
  831   1HE2  GLN1020          2HE2      GLN1020   8.529  19.797  -8.065
  832   2HE2  GLN1020          1HE2      GLN1020   9.909  19.587  -7.027
  833    H    MET1021           H        MET1021   4.187  16.333  -5.376
  834    HA   MET1021           HA       MET1021   4.214  13.689  -4.433
  835   1HB   MET1021          HB1       MET1021   3.909  15.500  -2.889
  836   2HB   MET1021          HB2       MET1021   2.470  16.053  -3.729
  837   1HG   MET1021          HG1       MET1021   2.561  13.335  -2.485
  838   2HG   MET1021          HG2       MET1021   2.226  14.766  -1.513
  839   1HE   MET1021          HE1       MET1021   0.355  12.114  -2.042
  840   2HE   MET1021          HE2       MET1021  -0.075  13.368  -0.879
  841   3HE   MET1021          HE3       MET1021  -1.240  12.866  -2.105
  842    H    LEU1022           H        LEU1022   1.777  15.510  -6.235
  843    HA   LEU1022           HA       LEU1022  -0.304  13.659  -6.142
  844   1HB   LEU1022          HB1       LEU1022  -0.536  15.966  -6.971
  845   2HB   LEU1022          HB2       LEU1022   0.407  15.549  -8.390
  846    HG   LEU1022           HG       LEU1022  -1.365  13.922  -9.038
  847   1HD1  LEU1022          1HD1      LEU1022  -2.308  13.515  -6.828
  848   2HD1  LEU1022          2HD1      LEU1022  -2.885  15.180  -6.758
  849   3HD1  LEU1022          3HD1      LEU1022  -3.546  14.066  -7.955
  850   1HD2  LEU1022          1HD2      LEU1022  -2.315  16.756  -8.651
  851   2HD2  LEU1022          2HD2      LEU1022  -1.279  16.192  -9.962
  852   3HD2  LEU1022          3HD2      LEU1022  -2.934  15.597  -9.828
  853    H    THR1023           H        THR1023   2.448  13.887  -8.338
  854    HA   THR1023           HA       THR1023   1.654  11.742 -10.028
  855    HB   THR1023           HB       THR1023   4.456  12.771  -9.517
  856    HG1  THR1023           HG1      THR1023   3.379  14.524 -10.252
  857   1HG2  THR1023          1HG2      THR1023   3.274  11.333 -11.901
  858   2HG2  THR1023          2HG2      THR1023   4.931  11.924 -11.762
  859   3HG2  THR1023          3HG2      THR1023   4.367  10.625 -10.711
  860    H    ALA1024           H        ALA1024   3.908  11.988  -7.297
  861    HA   ALA1024           HA       ALA1024   4.662   9.305  -7.162
  862   1HB   ALA1024          HB1       ALA1024   5.807  11.106  -5.967
  863   2HB   ALA1024          HB2       ALA1024   4.418  11.273  -4.892
  864   3HB   ALA1024          HB3       ALA1024   5.366   9.785  -4.886
  865    H    ALA1025           H        ALA1025   1.856  10.961  -5.816
  866    HA   ALA1025           HA       ALA1025   0.911   8.961  -4.110
  867   1HB   ALA1025          HB1       ALA1025  -0.703  10.937  -5.721
  868   2HB   ALA1025          HB2       ALA1025  -1.273  10.035  -4.318
  869   3HB   ALA1025          HB3       ALA1025   0.008  11.235  -4.135
  870    H    HIS1026           H        HIS1026   0.543   9.411  -7.569
  871    HA   HIS1026           HA       HIS1026  -1.309   7.304  -7.989
  872   1HB   HIS1026          HB1       HIS1026  -0.671   9.204  -9.590
  873   2HB   HIS1026          HB2       HIS1026   0.747   8.246  -9.991
  874    HD1  HIS1026           HD1      HIS1026  -0.481   8.451 -12.430
  875    HD2  HIS1026           HD2      HIS1026  -2.242   5.938  -9.617
  876    HE1  HIS1026           HE1      HIS1026  -2.034   6.954 -13.729
  877    HE2  HIS1026           HE2      HIS1026  -3.231   5.579 -11.986
  878    H    ALA1027           H        ALA1027   2.155   7.466  -7.650
  879    HA   ALA1027           HA       ALA1027   2.718   4.869  -8.676
  880   1HB   ALA1027          HB1       ALA1027   4.397   6.654  -8.621
  881   2HB   ALA1027          HB2       ALA1027   4.400   6.584  -6.859
  882   3HB   ALA1027          HB3       ALA1027   4.952   5.197  -7.797
  883    H    LEU1028           H        LEU1028   2.768   6.106  -5.309
  884    HA   LEU1028           HA       LEU1028   3.134   3.617  -4.095
  885   1HB   LEU1028          HB1       LEU1028   3.527   5.470  -2.745
  886   2HB   LEU1028          HB2       LEU1028   1.976   6.199  -3.068
  887    HG   LEU1028           HG       LEU1028   0.929   4.342  -1.721
  888   1HD1  LEU1028          1HD1      LEU1028   2.722   2.718  -1.939
  889   2HD1  LEU1028          2HD1      LEU1028   3.771   3.756  -0.973
  890   3HD1  LEU1028          3HD1      LEU1028   2.327   3.045  -0.251
  891   1HD2  LEU1028          1HD2      LEU1028   2.929   6.129  -0.386
  892   2HD2  LEU1028          2HD2      LEU1028   1.265   6.534  -0.810
  893   3HD2  LEU1028          3HD2      LEU1028   1.589   5.312   0.420
  894    H    ALA1029           H        ALA1029   0.072   5.219  -4.930
  895    HA   ALA1029           HA       ALA1029  -1.710   3.293  -4.101
  896   1HB   ALA1029          HB1       ALA1029  -3.184   4.009  -5.885
  897   2HB   ALA1029          HB2       ALA1029  -2.355   5.402  -5.193
  898   3HB   ALA1029          HB3       ALA1029  -1.830   4.744  -6.743
  899    H    VAL1030           H        VAL1030   0.351   3.218  -6.944
  900    HA   VAL1030           HA       VAL1030  -0.608   0.801  -8.064
  901    HB   VAL1030           HB       VAL1030   2.149   2.028  -8.280
  902   1HG1  VAL1030          1HG1      VAL1030   2.477   0.589 -10.228
  903   2HG1  VAL1030          2HG1      VAL1030   2.244  -0.366  -8.763
  904   3HG1  VAL1030          3HG1      VAL1030   0.925  -0.191  -9.919
  905   1HG2  VAL1030          1HG2      VAL1030   0.393   3.432  -9.191
  906   2HG2  VAL1030          2HG2      VAL1030   1.370   2.751 -10.493
  907   3HG2  VAL1030          3HG2      VAL1030  -0.221   2.078 -10.139
  908    H    ASP1031           H        ASP1031   1.807   1.457  -5.586
  909    HA   ASP1031           HA       ASP1031   2.884  -1.112  -5.313
  910   1HB   ASP1031          HB1       ASP1031   2.395   0.814  -3.037
  911   2HB   ASP1031          HB2       ASP1031   3.630  -0.436  -3.128
  912    H    ALA1032           H        ALA1032   0.121   0.400  -3.734
  913    HA   ALA1032           HA       ALA1032  -0.717  -1.785  -2.152
  914   1HB   ALA1032          HB1       ALA1032  -2.391   0.367  -3.452
  915   2HB   ALA1032          HB2       ALA1032  -2.913  -0.698  -2.146
  916   3HB   ALA1032          HB3       ALA1032  -1.622   0.470  -1.868
  917    H    LYS1033           H        LYS1033  -1.802  -0.714  -5.366
  918    HA   LYS1033           HA       LYS1033  -3.512  -2.802  -5.967
  919   1HB   LYS1033          HB1       LYS1033  -3.149  -0.680  -7.285
  920   2HB   LYS1033          HB2       LYS1033  -1.713  -1.421  -7.968
  921   1HG   LYS1033          HG1       LYS1033  -4.374  -2.766  -8.200
  922   2HG   LYS1033          HG2       LYS1033  -3.923  -1.466  -9.301
  923   1HD   LYS1033          HD1       LYS1033  -1.976  -2.716 -10.028
  924   2HD   LYS1033          HD2       LYS1033  -2.322  -3.989  -8.855
  925   1HE   LYS1033          HE1       LYS1033  -3.051  -4.628 -11.098
  926   2HE   LYS1033          HE2       LYS1033  -4.418  -4.488  -9.994
  927   1HZ   LYS1033          HZ1       LYS1033  -3.578  -2.420 -11.957
  928   2HZ   LYS1033          HZ2       LYS1033  -4.881  -3.482 -12.151
  929   3HZ   LYS1033          HZ3       LYS1033  -4.917  -2.324 -10.921
  930    H    ASN1034           H        ASN1034   0.014  -2.668  -6.269
  931    HA   ASN1034           HA       ASN1034   0.205  -5.132  -7.687
  932   1HB   ASN1034          HB1       ASN1034   1.969  -3.410  -7.786
  933   2HB   ASN1034          HB2       ASN1034   2.337  -3.703  -6.087
  934   1HD2  ASN1034          2HD2      ASN1034   4.467  -4.259  -6.682
  935   2HD2  ASN1034          1HD2      ASN1034   4.827  -5.801  -7.377
  936    H    LEU1035           H        LEU1035   0.977  -4.307  -4.273
  937    HA   LEU1035           HA       LEU1035   1.477  -6.934  -3.448
  938   1HB   LEU1035          HB1       LEU1035   1.913  -4.889  -2.051
  939   2HB   LEU1035          HB2       LEU1035   0.187  -4.796  -1.722
  940    HG   LEU1035           HG       LEU1035   0.451  -7.211  -0.822
  941   1HD1  LEU1035          1HD1      LEU1035   2.662  -7.721   0.068
  942   2HD1  LEU1035          2HD1      LEU1035   2.690  -7.597  -1.693
  943   3HD1  LEU1035          3HD1      LEU1035   3.310  -6.274  -0.705
  944   1HD2  LEU1035          1HD2      LEU1035   1.676  -4.896   0.661
  945   2HD2  LEU1035          2HD2      LEU1035  -0.044  -5.278   0.577
  946   3HD2  LEU1035          3HD2      LEU1035   1.069  -6.387   1.379
  947    H    LEU1036           H        LEU1036  -1.597  -5.276  -3.834
  948    HA   LEU1036           HA       LEU1036  -3.362  -7.014  -2.611
  949   1HB   LEU1036          HB1       LEU1036  -3.926  -4.859  -3.736
  950   2HB   LEU1036          HB2       LEU1036  -3.722  -5.649  -5.287
  951    HG   LEU1036           HG       LEU1036  -5.604  -7.135  -4.785
  952   1HD1  LEU1036          1HD1      LEU1036  -5.853  -5.502  -2.263
  953   2HD1  LEU1036          2HD1      LEU1036  -7.000  -6.716  -2.831
  954   3HD1  LEU1036          3HD1      LEU1036  -5.370  -7.196  -2.361
  955   1HD2  LEU1036          1HD2      LEU1036  -6.251  -4.216  -4.397
  956   2HD2  LEU1036          2HD2      LEU1036  -5.985  -5.014  -5.946
  957   3HD2  LEU1036          3HD2      LEU1036  -7.365  -5.468  -4.946
  958    H    ASP1037           H        ASP1037  -2.078  -7.095  -5.811
  959    HA   ASP1037           HA       ASP1037  -3.061  -9.659  -6.586
  960   1HB   ASP1037          HB1       ASP1037  -2.268  -7.907  -8.197
  961   2HB   ASP1037          HB2       ASP1037  -0.624  -8.201  -7.645
  962    H    VAL1038           H        VAL1038  -0.068  -8.466  -5.204
  963    HA   VAL1038           HA       VAL1038   1.554 -10.701  -5.206
  964    HB   VAL1038           HB       VAL1038   1.276  -8.409  -3.295
  965   1HG1  VAL1038          1HG1      VAL1038   2.102 -10.228  -1.941
  966   2HG1  VAL1038          2HG1      VAL1038   3.348 -10.588  -3.136
  967   3HG1  VAL1038          3HG1      VAL1038   3.394  -9.067  -2.243
  968   1HG2  VAL1038          1HG2      VAL1038   3.371  -9.154  -5.325
  969   2HG2  VAL1038          2HG2      VAL1038   2.146  -7.896  -5.491
  970   3HG2  VAL1038          3HG2      VAL1038   3.419  -7.733  -4.282
  971    H    ILE1039           H        ILE1039  -0.447  -9.643  -2.494
  972    HA   ILE1039           HA       ILE1039   0.116 -12.077  -1.091
  973    HB   ILE1039           HB       ILE1039  -1.435 -11.020   0.695
  974   1HG1  ILE1039          1HG1      ILE1039  -1.473  -8.571   0.655
  975   2HG1  ILE1039          2HG1      ILE1039  -0.729  -8.569  -0.938
  976   1HG2  ILE1039          1HG2      ILE1039   0.466  -9.747   1.558
  977   2HG2  ILE1039          2HG2      ILE1039   0.960 -11.311   0.911
  978   3HG2  ILE1039          3HG2      ILE1039   1.240  -9.842  -0.023
  979   1HD1  ILE1039          1HD1      ILE1039  -3.456  -9.639  -0.256
  980   2HD1  ILE1039          2HD1      ILE1039  -3.100  -8.111  -1.064
  981   3HD1  ILE1039          3HD1      ILE1039  -2.717  -9.639  -1.858
  982    H    ASP1040           H        ASP1040  -2.826 -10.711  -2.590
  983    HA   ASP1040           HA       ASP1040  -4.515 -12.833  -2.009
  984   1HB   ASP1040          HB1       ASP1040  -5.206 -10.894  -3.399
  985   2HB   ASP1040          HB2       ASP1040  -4.223 -11.509  -4.724
  986    H    GLN1041           H        GLN1041  -1.900 -12.571  -4.261
  987    HA   GLN1041           HA       GLN1041  -2.072 -15.292  -5.172
  988   1HB   GLN1041          HB1       GLN1041  -0.230 -13.058  -5.623
  989   2HB   GLN1041          HB2       GLN1041   0.544 -14.638  -5.572
  990   1HG   GLN1041          HG1       GLN1041  -0.125 -13.881  -7.847
  991   2HG   GLN1041          HG2       GLN1041  -0.780 -15.444  -7.368
  992   1HE2  GLN1041          2HE2      GLN1041  -1.507 -12.116  -8.053
  993   2HE2  GLN1041          1HE2      GLN1041  -3.228 -12.305  -8.145
  994    H    ALA1042           H        ALA1042  -0.270 -13.562  -2.636
  995    HA   ALA1042           HA       ALA1042   1.351 -15.549  -1.700
  996   1HB   ALA1042          HB1       ALA1042  -0.214 -13.603  -0.026
  997   2HB   ALA1042          HB2       ALA1042   1.207 -14.505   0.500
  998   3HB   ALA1042          HB3       ALA1042   1.350 -13.299  -0.779
  999    H    ARG1043           H        ARG1043  -1.986 -14.914  -0.652
 1000    HA   ARG1043           HA       ARG1043  -2.196 -17.112   1.040
 1001   1HB   ARG1043          HB1       ARG1043  -3.889 -15.066   0.098
 1002   2HB   ARG1043          HB2       ARG1043  -4.727 -16.583  -0.205
 1003   1HG   ARG1043          HG1       ARG1043  -5.267 -15.589   1.991
 1004   2HG   ARG1043          HG2       ARG1043  -4.565 -17.202   2.111
 1005   1HD   ARG1043          HD1       ARG1043  -2.402 -16.250   2.674
 1006   2HD   ARG1043          HD2       ARG1043  -3.045 -14.620   2.473
 1007    HE   ARG1043           HE       ARG1043  -4.656 -15.440   4.365
 1008   1HH1  ARG1043          2HH1      ARG1043  -1.212 -16.109   4.116
 1009   2HH1  ARG1043          1HH1      ARG1043  -0.995 -16.223   5.832
 1010   1HH2  ARG1043          2HH2      ARG1043  -4.366 -15.599   6.591
 1011   2HH2  ARG1043          1HH2      ARG1043  -2.780 -15.933   7.244
 1012    H    LEU1044           H        LEU1044  -2.621 -16.913  -2.463
 1013    HA   LEU1044           HA       LEU1044  -3.345 -19.687  -2.714
 1014   1HB   LEU1044          HB1       LEU1044  -2.548 -17.554  -4.639
 1015   2HB   LEU1044          HB2       LEU1044  -2.493 -19.221  -5.156
 1016    HG   LEU1044           HG       LEU1044  -4.906 -19.437  -4.592
 1017   1HD1  LEU1044          1HD1      LEU1044  -5.084 -17.646  -2.948
 1018   2HD1  LEU1044          2HD1      LEU1044  -4.765 -16.452  -4.207
 1019   3HD1  LEU1044          3HD1      LEU1044  -6.236 -17.422  -4.266
 1020   1HD2  LEU1044          1HD2      LEU1044  -4.178 -17.283  -6.568
 1021   2HD2  LEU1044          2HD2      LEU1044  -4.195 -19.020  -6.870
 1022   3HD2  LEU1044          3HD2      LEU1044  -5.703 -18.169  -6.532
 1023    H    LYS1045           H        LYS1045  -0.333 -17.867  -2.726
 1024    HA   LYS1045           HA       LYS1045   1.429 -19.865  -3.608
 1025   1HB   LYS1045          HB1       LYS1045   1.935 -17.774  -1.466
 1026   2HB   LYS1045          HB2       LYS1045   3.170 -18.689  -2.301
 1027   1HG   LYS1045          HG1       LYS1045   1.352 -16.617  -3.479
 1028   2HG   LYS1045          HG2       LYS1045   3.084 -16.485  -3.176
 1029   1HD   LYS1045          HD1       LYS1045   3.547 -18.166  -4.847
 1030   2HD   LYS1045          HD2       LYS1045   1.825 -18.463  -5.083
 1031   1HE   LYS1045          HE1       LYS1045   2.576 -17.094  -6.888
 1032   2HE   LYS1045          HE2       LYS1045   1.597 -16.086  -5.827
 1033   1HZ   LYS1045          HZ1       LYS1045   3.587 -14.919  -6.535
 1034   2HZ   LYS1045          HZ2       LYS1045   3.645 -15.206  -4.866
 1035   3HZ   LYS1045          HZ3       LYS1045   4.570 -16.160  -5.915
 1036    H    MET1046           H        MET1046  -0.052 -19.175  -0.538
 1037    HA   MET1046           HA       MET1046   1.401 -21.097   0.975
 1038   1HB   MET1046          HB1       MET1046   0.112 -19.106   1.846
 1039   2HB   MET1046          HB2       MET1046  -1.354 -20.021   1.533
 1040   1HG   MET1046          HG1       MET1046  -0.698 -21.705   3.118
 1041   2HG   MET1046          HG2       MET1046   0.865 -20.919   3.342
 1042   1HE   MET1046          HE1       MET1046  -3.030 -20.588   3.877
 1043   2HE   MET1046          HE2       MET1046  -3.135 -19.000   4.636
 1044   3HE   MET1046          HE3       MET1046  -2.619 -19.141   2.955
 1045    H    ILE1047           H        ILE1047  -1.643 -21.124  -0.794
 1046    HA   ILE1047           HA       ILE1047  -2.396 -23.792  -0.272
 1047    HB   ILE1047           HB       ILE1047  -2.933 -22.099  -2.719
 1048   1HG1  ILE1047          1HG1      ILE1047  -3.796 -21.071  -0.685
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.128 -21.690  -1.656
 1050   1HG2  ILE1047          1HG2      ILE1047  -4.814 -23.618  -3.128
 1051   2HG2  ILE1047          2HG2      ILE1047  -3.262 -24.452  -3.211
 1052   3HG2  ILE1047          3HG2      ILE1047  -4.282 -24.627  -1.783
 1053   1HD1  ILE1047          1HD1      ILE1047  -5.299 -23.630  -0.191
 1054   2HD1  ILE1047          2HD1      ILE1047  -3.950 -23.028   0.771
 1055   3HD1  ILE1047          3HD1      ILE1047  -5.464 -22.125   0.714
 1056    H    SER1048           H        SER1048  -0.397 -22.268  -2.735
 1057    HA   SER1048           HA       SER1048   0.147 -24.426  -4.387
 1058   1HB   SER1048          HB1       SER1048   2.003 -22.142  -3.655
 1059   2HB   SER1048          HB2       SER1048   2.132 -23.163  -5.090
 1060    HG   SER1048           HG       SER1048  -0.249 -21.745  -4.548
 1061    H    GLN1049           H        GLN1049   1.935 -23.375  -1.479
 1062    HA   GLN1049           HA       GLN1049   4.001 -25.248  -1.665
 1063   1HB   GLN1049          HB1       GLN1049   4.286 -23.451  -0.129
 1064   2HB   GLN1049          HB2       GLN1049   2.811 -23.867   0.738
 1065   1HG   GLN1049          HG1       GLN1049   3.838 -25.927   1.533
 1066   2HG   GLN1049          HG2       GLN1049   5.303 -25.557   0.631
 1067   1HE2  GLN1049          2HE2      GLN1049   3.329 -24.692   3.372
 1068   2HE2  GLN1049          1HE2      GLN1049   4.538 -23.777   4.201
 1069    H    SER1050           H        SER1050   1.008 -25.472   0.276
 1070    HA   SER1050           HA       SER1050   0.993 -28.330  -0.026
 1071   1HB   SER1050          HB1       SER1050   2.693 -28.043   1.738
 1072   2HB   SER1050          HB2       SER1050   1.526 -27.153   2.712
 1073    HG   SER1050           HG       SER1050   0.202 -29.146   2.526
 1074    H    ARG1051           H        ARG1051  -0.550 -25.417   0.593
 1075    HA   ARG1051           HA       ARG1051  -2.643 -24.784   1.184
 1076   1HB   ARG1051          HB1       ARG1051  -3.392 -26.184  -0.606
 1077   2HB   ARG1051          HB2       ARG1051  -3.209 -27.634   0.368
 1078   1HG   ARG1051          HG1       ARG1051  -5.063 -26.988   1.763
 1079   2HG   ARG1051          HG2       ARG1051  -5.196 -25.440   0.926
 1080   1HD   ARG1051          HD1       ARG1051  -6.856 -27.161   0.203
 1081   2HD   ARG1051          HD2       ARG1051  -5.863 -26.502  -1.096
 1082    HE   ARG1051           HE       ARG1051  -4.468 -28.648  -0.590
 1083   1HH1  ARG1051          2HH1      ARG1051  -7.951 -28.381  -0.505
 1084   2HH1  ARG1051          1HH1      ARG1051  -8.223 -30.000  -1.086
 1085   1HH2  ARG1051          2HH2      ARG1051  -4.795 -30.748  -1.376
 1086   2HH2  ARG1051          1HH2      ARG1051  -6.415 -31.355  -1.585
 1087    HA   PRO1052           HA       PRO1052  -2.019 -25.930   5.513
 1088   1HB   PRO1052          HB1       PRO1052  -3.853 -23.611   5.816
 1089   2HB   PRO1052          HB2       PRO1052  -2.305 -23.936   6.605
 1090   1HG   PRO1052          HG1       PRO1052  -2.470 -22.125   4.673
 1091   2HG   PRO1052          HG2       PRO1052  -1.073 -23.214   4.779
 1092   1HD   PRO1052          HD1       PRO1052  -3.436 -23.334   2.945
 1093   2HD   PRO1052          HD2       PRO1052  -1.723 -23.650   2.598
 1094    H    HIS1053           H        HIS1053  -3.098 -27.466   6.469
 1095    HA   HIS1053           HA       HIS1053  -6.017 -27.291   6.639
 1096   1HB   HIS1053          HB1       HIS1053  -6.089 -29.815   6.457
 1097   2HB   HIS1053          HB2       HIS1053  -5.712 -28.962   4.968
 1098    HD1  HIS1053           HD1      HIS1053  -4.190 -31.234   7.536
 1099    HD2  HIS1053           HD2      HIS1053  -3.181 -29.455   3.914
 1100    HE1  HIS1053           HE1      HIS1053  -2.082 -32.377   6.780
 1101    HE2  HIS1053           HE2      HIS1053  -1.550 -31.370   4.534
  Start of MODEL   16
    1   1H    ARG 920           H        ARG 920  -7.712 -19.017  -1.652
    2    HA   ARG 920           HA       ARG 920  -8.348 -19.321   1.133
    3   1HB   ARG 920          HB1       ARG 920  -6.942 -16.997  -0.158
    4   2HB   ARG 920          HB2       ARG 920  -6.840 -17.510   1.519
    5   1HG   ARG 920          HG1       ARG 920  -5.918 -19.153  -0.795
    6   2HG   ARG 920          HG2       ARG 920  -4.880 -18.073   0.118
    7   1HD   ARG 920          HD1       ARG 920  -4.502 -20.165   1.073
    8   2HD   ARG 920          HD2       ARG 920  -5.594 -19.358   2.182
    9    HE   ARG 920           HE       ARG 920  -7.121 -20.886   0.413
   10   1HH1  ARG 920          2HH1      ARG 920  -4.810 -21.330   3.004
   11   2HH1  ARG 920          1HH1      ARG 920  -5.365 -22.927   3.396
   12   1HH2  ARG 920          2HH2      ARG 920  -7.851 -22.988   0.919
   13   2HH2  ARG 920          1HH2      ARG 920  -7.112 -23.863   2.235
   14    H    SER 921           H        SER 921 -10.284 -18.027  -1.149
   15    HA   SER 921           HA       SER 921 -11.752 -16.307  -1.385
   16   1HB   SER 921          HB1       SER 921 -12.599 -17.125   0.811
   17   2HB   SER 921          HB2       SER 921 -11.471 -16.044   1.627
   18    HG   SER 921           HG       SER 921 -12.650 -14.334   1.060
   19    H    ASN 922           H        ASN 922  -8.778 -16.035  -1.212
   20    HA   ASN 922           HA       ASN 922  -7.083 -14.528  -1.189
   21   1HB   ASN 922          HB1       ASN 922  -9.032 -12.311  -1.693
   22   2HB   ASN 922          HB2       ASN 922  -7.416 -12.528  -2.346
   23   1HD2  ASN 922          2HD2      ASN 922  -7.759 -15.235  -3.161
   24   2HD2  ASN 922          1HD2      ASN 922  -8.815 -15.251  -4.520
   25    H    ASP 923           H        ASP 923  -6.906 -14.966   0.958
   26    HA   ASP 923           HA       ASP 923  -8.347 -14.073   3.080
   27   1HB   ASP 923          HB1       ASP 923  -6.421 -15.790   2.885
   28   2HB   ASP 923          HB2       ASP 923  -5.370 -14.435   3.274
   29    H    LYS 924           H        LYS 924  -6.934 -12.863   4.933
   30    HA   LYS 924           HA       LYS 924  -7.500 -10.194   4.690
   31   1HB   LYS 924          HB1       LYS 924  -6.588 -11.802   6.676
   32   2HB   LYS 924          HB2       LYS 924  -5.172 -10.804   6.398
   33   1HG   LYS 924          HG1       LYS 924  -7.928  -9.783   7.072
   34   2HG   LYS 924          HG2       LYS 924  -6.582  -9.935   8.198
   35   1HD   LYS 924          HD1       LYS 924  -5.305  -8.409   6.609
   36   2HD   LYS 924          HD2       LYS 924  -6.863  -8.079   5.855
   37   1HE   LYS 924          HE1       LYS 924  -6.251  -7.673   8.771
   38   2HE   LYS 924          HE2       LYS 924  -6.172  -6.405   7.550
   39   1HZ   LYS 924          HZ1       LYS 924  -8.263  -6.319   8.713
   40   2HZ   LYS 924          HZ2       LYS 924  -8.547  -6.774   7.108
   41   3HZ   LYS 924          HZ3       LYS 924  -8.598  -7.936   8.342
   42    H    VAL 925           H        VAL 925  -5.063 -11.739   3.048
   43    HA   VAL 925           HA       VAL 925  -3.139  -9.640   2.871
   44    HB   VAL 925           HB       VAL 925  -2.598 -11.062   0.676
   45   1HG1  VAL 925          1HG1      VAL 925  -1.130 -10.808   2.627
   46   2HG1  VAL 925          2HG1      VAL 925  -2.068 -12.022   3.498
   47   3HG1  VAL 925          3HG1      VAL 925  -1.149 -12.479   2.064
   48   1HG2  VAL 925          1HG2      VAL 925  -4.642 -12.418   0.868
   49   2HG2  VAL 925          2HG2      VAL 925  -3.177 -13.396   0.960
   50   3HG2  VAL 925          3HG2      VAL 925  -4.080 -13.021   2.428
   51    H    TYR 926           H        TYR 926  -5.830 -10.816   0.730
   52    HA   TYR 926           HA       TYR 926  -5.265  -8.737  -1.230
   53   1HB   TYR 926          HB1       TYR 926  -6.298 -10.655  -2.126
   54   2HB   TYR 926          HB2       TYR 926  -7.426 -10.807  -0.788
   55    HD1  TYR 926           HD1      TYR 926  -9.562  -9.751  -0.853
   56    HD2  TYR 926           HD2      TYR 926  -6.687  -8.935  -3.882
   57    HE1  TYR 926           HE1      TYR 926 -11.296  -8.638  -2.194
   58    HE2  TYR 926           HE2      TYR 926  -8.414  -7.817  -5.223
   59    HH   TYR 926           HH       TYR 926 -11.581  -7.135  -3.953
   60    H    GLU 927           H        GLU 927  -7.068  -9.146   1.655
   61    HA   GLU 927           HA       GLU 927  -8.970  -7.060   1.323
   62   1HB   GLU 927          HB1       GLU 927  -7.958  -8.548   3.751
   63   2HB   GLU 927          HB2       GLU 927  -9.316  -7.442   3.786
   64   1HG   GLU 927          HG1       GLU 927 -10.583  -8.871   2.333
   65   2HG   GLU 927          HG2       GLU 927  -9.188  -9.924   2.095
   66    H    ASN 928           H        ASN 928  -6.053  -7.318   3.363
   67    HA   ASN 928           HA       ASN 928  -6.385  -4.740   4.492
   68   1HB   ASN 928          HB1       ASN 928  -5.033  -6.791   5.331
   69   2HB   ASN 928          HB2       ASN 928  -3.736  -6.126   4.348
   70   1HD2  ASN 928          2HD2      ASN 928  -3.830  -6.504   7.180
   71   2HD2  ASN 928          1HD2      ASN 928  -3.608  -4.945   7.902
   72    H    VAL 929           H        VAL 929  -4.583  -5.907   1.718
   73    HA   VAL 929           HA       VAL 929  -3.150  -3.499   1.312
   74    HB   VAL 929           HB       VAL 929  -2.467  -5.618   0.268
   75   1HG1  VAL 929          1HG1      VAL 929  -4.841  -5.277  -1.547
   76   2HG1  VAL 929          2HG1      VAL 929  -3.615  -6.540  -1.628
   77   3HG1  VAL 929          3HG1      VAL 929  -4.711  -6.466  -0.249
   78   1HG2  VAL 929          1HG2      VAL 929  -3.084  -3.410  -1.690
   79   2HG2  VAL 929          2HG2      VAL 929  -1.666  -3.523  -0.648
   80   3HG2  VAL 929          3HG2      VAL 929  -1.907  -4.702  -1.937
   81    H    THR 930           H        THR 930  -6.202  -4.709  -0.140
   82    HA   THR 930           HA       THR 930  -7.101  -2.442  -1.325
   83    HB   THR 930           HB       THR 930  -8.775  -4.255   0.432
   84    HG1  THR 930           HG1      THR 930  -7.978  -5.600  -1.072
   85   1HG2  THR 930          1HG2      THR 930 -10.633  -3.593  -1.032
   86   2HG2  THR 930          2HG2      THR 930  -9.955  -2.200  -0.187
   87   3HG2  THR 930          3HG2      THR 930  -9.563  -2.478  -1.884
   88    H    GLY 931           H        GLY 931  -6.813  -3.060   2.107
   89   1HA   GLY 931          HA1       GLY 931  -8.232  -0.779   3.046
   90   2HA   GLY 931          HA2       GLY 931  -7.027  -1.691   3.944
   91    H    LEU 932           H        LEU 932  -4.925  -1.331   2.013
   92    HA   LEU 932           HA       LEU 932  -3.826   1.145   2.752
   93   1HB   LEU 932          HB1       LEU 932  -2.374  -0.610   2.074
   94   2HB   LEU 932          HB2       LEU 932  -3.209  -0.803   0.546
   95    HG   LEU 932           HG       LEU 932  -2.271   1.257  -0.298
   96   1HD1  LEU 932          1HD1      LEU 932  -0.951   1.545   2.394
   97   2HD1  LEU 932          2HD1      LEU 932  -0.665   2.565   0.984
   98   3HD1  LEU 932          3HD1      LEU 932  -2.249   2.559   1.759
   99   1HD2  LEU 932          1HD2      LEU 932   0.082   0.646  -0.340
  100   2HD2  LEU 932          2HD2      LEU 932  -0.161  -0.426   1.041
  101   3HD2  LEU 932          3HD2      LEU 932  -0.943  -0.781  -0.500
  102    H    VAL 933           H        VAL 933  -5.250   0.108  -0.358
  103    HA   VAL 933           HA       VAL 933  -5.342   2.646  -1.550
  104    HB   VAL 933           HB       VAL 933  -7.299   0.381  -1.975
  105   1HG1  VAL 933          1HG1      VAL 933  -8.096   2.462  -2.927
  106   2HG1  VAL 933          2HG1      VAL 933  -6.544   2.721  -3.726
  107   3HG1  VAL 933          3HG1      VAL 933  -7.576   1.376  -4.214
  108   1HG2  VAL 933          1HG2      VAL 933  -5.004  -0.376  -2.261
  109   2HG2  VAL 933          2HG2      VAL 933  -5.831  -0.292  -3.816
  110   3HG2  VAL 933          3HG2      VAL 933  -4.683   0.968  -3.358
  111    H    LYS 934           H        LYS 934  -7.392   1.169   0.813
  112    HA   LYS 934           HA       LYS 934  -9.619   2.947   0.526
  113   1HB   LYS 934          HB1       LYS 934  -8.923   0.656   2.167
  114   2HB   LYS 934          HB2       LYS 934  -9.730   1.897   3.108
  115   1HG   LYS 934          HG1       LYS 934 -11.376   0.375   2.336
  116   2HG   LYS 934          HG2       LYS 934 -11.577   1.874   1.438
  117   1HD   LYS 934          HD1       LYS 934 -10.105  -0.540   0.389
  118   2HD   LYS 934          HD2       LYS 934 -11.815  -0.235   0.095
  119   1HE   LYS 934          HE1       LYS 934 -11.039   2.023  -0.850
  120   2HE   LYS 934          HE2       LYS 934  -9.427   1.305  -0.874
  121   1HZ   LYS 934          HZ1       LYS 934 -10.223  -0.425  -2.328
  122   2HZ   LYS 934          HZ2       LYS 934 -11.812   0.165  -2.236
  123   3HZ   LYS 934          HZ3       LYS 934 -10.611   1.083  -2.996
  124    H    ALA 935           H        ALA 935  -6.868   2.764   2.766
  125    HA   ALA 935           HA       ALA 935  -7.694   5.089   4.211
  126   1HB   ALA 935          HB1       ALA 935  -5.024   3.712   4.205
  127   2HB   ALA 935          HB2       ALA 935  -5.578   4.911   5.374
  128   3HB   ALA 935          HB3       ALA 935  -6.377   3.344   5.273
  129    H    VAL 936           H        VAL 936  -5.685   4.540   1.377
  130    HA   VAL 936           HA       VAL 936  -4.690   7.225   1.422
  131    HB   VAL 936           HB       VAL 936  -3.511   5.409   0.187
  132   1HG1  VAL 936          1HG1      VAL 936  -5.705   5.766  -1.850
  133   2HG1  VAL 936          2HG1      VAL 936  -4.251   4.788  -2.042
  134   3HG1  VAL 936          3HG1      VAL 936  -5.462   4.340  -0.841
  135   1HG2  VAL 936          1HG2      VAL 936  -2.970   7.726  -0.240
  136   2HG2  VAL 936          2HG2      VAL 936  -2.881   6.798  -1.737
  137   3HG2  VAL 936          3HG2      VAL 936  -4.271   7.837  -1.425
  138    H    ILE 937           H        ILE 937  -7.674   5.783   0.623
  139    HA   ILE 937           HA       ILE 937  -8.702   7.916  -0.968
  140    HB   ILE 937           HB       ILE 937 -10.141   5.923   0.799
  141   1HG1  ILE 937          1HG1      ILE 937  -9.035   4.926  -1.139
  142   2HG1  ILE 937          2HG1      ILE 937 -10.784   4.885  -1.339
  143   1HG2  ILE 937          1HG2      ILE 937 -11.473   7.961   0.577
  144   2HG2  ILE 937          2HG2      ILE 937 -11.325   7.869  -1.179
  145   3HG2  ILE 937          3HG2      ILE 937 -12.204   6.617  -0.301
  146   1HD1  ILE 937          1HD1      ILE 937  -9.640   5.473  -3.408
  147   2HD1  ILE 937          2HD1      ILE 937 -10.668   6.790  -2.845
  148   3HD1  ILE 937          3HD1      ILE 937  -8.921   6.876  -2.616
  149    H    GLU 938           H        GLU 938  -8.293   7.319   2.459
  150    HA   GLU 938           HA       GLU 938  -9.675   9.525   3.525
  151   1HB   GLU 938          HB1       GLU 938  -7.064   8.282   4.429
  152   2HB   GLU 938          HB2       GLU 938  -7.975   9.464   5.360
  153   1HG   GLU 938          HG1       GLU 938  -9.112   6.817   4.499
  154   2HG   GLU 938          HG2       GLU 938  -8.303   7.079   6.045
  155    H    MET 939           H        MET 939  -6.478   9.196   2.208
  156    HA   MET 939           HA       MET 939  -5.482  11.773   2.589
  157   1HB   MET 939          HB1       MET 939  -4.127   9.923   1.686
  158   2HB   MET 939          HB2       MET 939  -5.014  10.019   0.172
  159   1HG   MET 939          HG1       MET 939  -4.210  12.415   0.015
  160   2HG   MET 939          HG2       MET 939  -3.115  12.027   1.341
  161   1HE   MET 939          HE1       MET 939  -2.976  10.176  -2.876
  162   2HE   MET 939          HE2       MET 939  -4.324   9.903  -1.771
  163   3HE   MET 939          HE3       MET 939  -4.013  11.521  -2.399
  164    H    SER 940           H        SER 940  -7.472  10.547  -0.095
  165    HA   SER 940           HA       SER 940  -7.476  13.054  -1.453
  166   1HB   SER 940          HB1       SER 940  -9.324  11.973  -2.825
  167   2HB   SER 940          HB2       SER 940  -7.768  11.147  -2.820
  168    HG   SER 940           HG       SER 940  -9.495  10.346  -0.820
  169    H    SER 941           H        SER 941  -9.526  11.660   1.038
  170    HA   SER 941           HA       SER 941 -11.703  13.489   0.453
  171   1HB   SER 941          HB1       SER 941 -12.595  12.551   2.676
  172   2HB   SER 941          HB2       SER 941 -12.444  11.416   1.336
  173    HG   SER 941           HG       SER 941 -11.367  11.235   3.737
  174    H    LYS 942           H        LYS 942  -9.169  13.004   2.773
  175    HA   LYS 942           HA       LYS 942  -9.468  15.115   4.499
  176   1HB   LYS 942          HB1       LYS 942  -7.328  13.377   3.561
  177   2HB   LYS 942          HB2       LYS 942  -6.743  14.963   4.043
  178   1HG   LYS 942          HG1       LYS 942  -8.596  13.508   5.854
  179   2HG   LYS 942          HG2       LYS 942  -6.900  13.014   5.768
  180   1HD   LYS 942          HD1       LYS 942  -6.130  15.084   6.487
  181   2HD   LYS 942          HD2       LYS 942  -7.658  15.882   6.093
  182   1HE   LYS 942          HE1       LYS 942  -7.438  15.668   8.501
  183   2HE   LYS 942          HE2       LYS 942  -8.748  14.640   7.926
  184   1HZ   LYS 942          HZ1       LYS 942  -7.257  12.727   8.063
  185   2HZ   LYS 942          HZ2       LYS 942  -6.008  13.731   8.618
  186   3HZ   LYS 942          HZ3       LYS 942  -7.395  13.512   9.563
  187    H    ILE 943           H        ILE 943  -7.855  15.103   1.329
  188    HA   ILE 943           HA       ILE 943  -6.977  17.785   1.585
  189    HB   ILE 943           HB       ILE 943  -5.877  16.081   0.114
  190   1HG1  ILE 943          1HG1      ILE 943  -6.684  18.623  -1.316
  191   2HG1  ILE 943          2HG1      ILE 943  -5.438  18.526  -0.075
  192   1HG2  ILE 943          1HG2      ILE 943  -8.189  16.657  -1.728
  193   2HG2  ILE 943          2HG2      ILE 943  -6.740  15.743  -2.148
  194   3HG2  ILE 943          3HG2      ILE 943  -7.851  15.123  -0.926
  195   1HD1  ILE 943          1HD1      ILE 943  -4.470  18.563  -2.303
  196   2HD1  ILE 943          2HD1      ILE 943  -4.139  17.030  -1.499
  197   3HD1  ILE 943          3HD1      ILE 943  -5.389  17.123  -2.740
  198    H    GLN 944           H        GLN 944  -9.967  16.373   0.543
  199    HA   GLN 944           HA       GLN 944 -10.926  18.365  -1.143
  200   1HB   GLN 944          HB1       GLN 944 -12.482  16.672   0.814
  201   2HB   GLN 944          HB2       GLN 944 -13.215  17.679  -0.425
  202   1HG   GLN 944          HG1       GLN 944 -11.449  15.280  -0.834
  203   2HG   GLN 944          HG2       GLN 944 -13.163  15.421  -1.202
  204   1HE2  GLN 944          2HE2      GLN 944  -9.978  16.071  -2.215
  205   2HE2  GLN 944          1HE2      GLN 944 -10.351  16.696  -3.784
  206    HA   PRO 945           HA       PRO 945 -12.435  21.063   2.362
  207   1HB   PRO 945          HB1       PRO 945 -12.615  20.040   4.936
  208   2HB   PRO 945          HB2       PRO 945 -13.905  20.040   3.736
  209   1HG   PRO 945          HG1       PRO 945 -12.529  17.791   4.805
  210   2HG   PRO 945          HG2       PRO 945 -13.759  17.801   3.533
  211   1HD   PRO 945          HD1       PRO 945 -10.809  17.666   3.307
  212   2HD   PRO 945          HD2       PRO 945 -12.060  17.068   2.198
  213    H    ALA 946           H        ALA 946  -9.751  19.097   3.550
  214    HA   ALA 946           HA       ALA 946  -9.002  21.086   5.511
  215   1HB   ALA 946          HB1       ALA 946  -7.649  18.495   4.790
  216   2HB   ALA 946          HB2       ALA 946  -7.309  19.499   6.200
  217   3HB   ALA 946          HB3       ALA 946  -8.875  18.700   6.041
  218    HA   PRO 947           HA       PRO 947  -5.985  23.139   3.047
  219   1HB   PRO 947          HB1       PRO 947  -4.651  24.441   4.955
  220   2HB   PRO 947          HB2       PRO 947  -6.367  24.760   4.669
  221   1HG   PRO 947          HG1       PRO 947  -5.076  23.087   6.785
  222   2HG   PRO 947          HG2       PRO 947  -6.419  24.235   6.931
  223   1HD   PRO 947          HD1       PRO 947  -6.711  21.503   6.712
  224   2HD   PRO 947          HD2       PRO 947  -7.958  22.690   6.282
  225    HA   PRO 948           HA       PRO 948  -1.858  21.466   2.593
  226   1HB   PRO 948          HB1       PRO 948  -0.256  23.498   3.723
  227   2HB   PRO 948          HB2       PRO 948  -0.684  23.305   2.024
  228   1HG   PRO 948          HG1       PRO 948  -1.909  25.039   4.105
  229   2HG   PRO 948          HG2       PRO 948  -1.712  25.332   2.367
  230   1HD   PRO 948          HD1       PRO 948  -4.089  24.702   3.378
  231   2HD   PRO 948          HD2       PRO 948  -3.563  24.030   1.819
  232    H    GLU 949           H        GLU 949  -2.336  23.002   5.721
  233    HA   GLU 949           HA       GLU 949  -0.370  21.754   7.226
  234   1HB   GLU 949          HB1       GLU 949  -3.177  22.436   8.092
  235   2HB   GLU 949          HB2       GLU 949  -1.794  22.207   9.154
  236   1HG   GLU 949          HG1       GLU 949  -0.712  24.158   8.152
  237   2HG   GLU 949          HG2       GLU 949  -2.110  24.385   7.101
  238    H    GLU 950           H        GLU 950  -3.158  20.468   5.778
  239    HA   GLU 950           HA       GLU 950  -3.014  18.028   7.390
  240   1HB   GLU 950          HB1       GLU 950  -5.259  19.160   5.737
  241   2HB   GLU 950          HB2       GLU 950  -5.252  17.508   6.350
  242   1HG   GLU 950          HG1       GLU 950  -5.084  19.987   8.056
  243   2HG   GLU 950          HG2       GLU 950  -6.549  19.052   7.759
  244    H    TYR 951           H        TYR 951  -2.032  19.295   4.443
  245    HA   TYR 951           HA       TYR 951  -2.346  17.123   2.695
  246   1HB   TYR 951          HB1       TYR 951  -0.060  19.078   2.966
  247   2HB   TYR 951          HB2       TYR 951  -0.111  17.849   1.717
  248    HD1  TYR 951           HD1      TYR 951  -3.422  18.721   1.992
  249    HD2  TYR 951           HD2      TYR 951   0.287  20.355   0.721
  250    HE1  TYR 951           HE1      TYR 951  -4.618  20.302   0.532
  251    HE2  TYR 951           HE2      TYR 951  -0.879  21.934  -0.724
  252    HH   TYR 951           HH       TYR 951  -2.930  22.337  -1.757
  253    H    VAL 952           H        VAL 952   0.063  17.828   5.186
  254    HA   VAL 952           HA       VAL 952   1.333  15.288   4.703
  255    HB   VAL 952           HB       VAL 952   2.978  16.594   5.481
  256   1HG1  VAL 952          1HG1      VAL 952   1.691  18.575   5.922
  257   2HG1  VAL 952          2HG1      VAL 952   1.051  17.883   7.413
  258   3HG1  VAL 952          3HG1      VAL 952   2.765  18.280   7.288
  259   1HG2  VAL 952          1HG2      VAL 952   2.970  14.657   6.941
  260   2HG2  VAL 952          2HG2      VAL 952   3.563  16.076   7.803
  261   3HG2  VAL 952          3HG2      VAL 952   1.922  15.495   8.086
  262    HA   PRO 953           HA       PRO 953  -1.092  13.876   8.746
  263   1HB   PRO 953          HB1       PRO 953  -3.459  15.610   8.284
  264   2HB   PRO 953          HB2       PRO 953  -2.800  14.980   9.802
  265   1HG   PRO 953          HG1       PRO 953  -2.380  17.507   9.147
  266   2HG   PRO 953          HG2       PRO 953  -1.069  16.540   9.855
  267   1HD   PRO 953          HD1       PRO 953  -1.512  17.338   7.004
  268   2HD   PRO 953          HD2       PRO 953   0.002  17.254   7.927
  269    H    MET 954           H        MET 954  -2.608  14.900   5.691
  270    HA   MET 954           HA       MET 954  -4.459  12.724   5.724
  271   1HB   MET 954          HB1       MET 954  -5.085  13.344   3.511
  272   2HB   MET 954          HB2       MET 954  -4.801  14.832   4.399
  273   1HG   MET 954          HG1       MET 954  -2.587  15.006   3.354
  274   2HG   MET 954          HG2       MET 954  -2.928  13.545   2.430
  275   1HE   MET 954          HE1       MET 954  -3.995  17.249   3.123
  276   2HE   MET 954          HE2       MET 954  -5.317  17.463   1.975
  277   3HE   MET 954          HE3       MET 954  -5.502  16.363   3.342
  278    H    VAL 955           H        VAL 955  -1.240  13.241   4.464
  279    HA   VAL 955           HA       VAL 955  -1.103  10.732   3.154
  280    HB   VAL 955           HB       VAL 955   0.479  12.862   2.981
  281   1HG1  VAL 955          1HG1      VAL 955   1.382  12.674   5.233
  282   2HG1  VAL 955          2HG1      VAL 955   1.986  11.061   4.856
  283   3HG1  VAL 955          3HG1      VAL 955   2.639  12.464   4.011
  284   1HG2  VAL 955          1HG2      VAL 955   1.349  10.012   2.603
  285   2HG2  VAL 955          2HG2      VAL 955   0.396  10.973   1.472
  286   3HG2  VAL 955          3HG2      VAL 955   2.066  11.420   1.823
  287    H    LYS 956           H        LYS 956  -0.747  11.836   6.417
  288    HA   LYS 956           HA       LYS 956   0.555   9.604   7.544
  289   1HB   LYS 956          HB1       LYS 956   0.085  11.615   8.859
  290   2HB   LYS 956          HB2       LYS 956  -1.642  11.328   8.705
  291   1HG   LYS 956          HG1       LYS 956  -0.900  10.679  10.901
  292   2HG   LYS 956          HG2       LYS 956  -1.405   9.254   9.995
  293   1HD   LYS 956          HD1       LYS 956   0.606   8.720  11.175
  294   2HD   LYS 956          HD2       LYS 956   0.993   8.831   9.458
  295   1HE   LYS 956          HE1       LYS 956   1.845  11.098   9.804
  296   2HE   LYS 956          HE2       LYS 956   1.458  10.984  11.521
  297   1HZ   LYS 956          HZ1       LYS 956   3.379   9.239  10.077
  298   2HZ   LYS 956          HZ2       LYS 956   3.799  10.542  11.082
  299   3HZ   LYS 956          HZ3       LYS 956   3.036   9.179  11.740
  300    H    GLU 957           H        GLU 957  -2.875  10.228   6.865
  301    HA   GLU 957           HA       GLU 957  -4.039   7.911   7.663
  302   1HB   GLU 957          HB1       GLU 957  -4.691   9.187   4.999
  303   2HB   GLU 957          HB2       GLU 957  -5.787   8.356   6.092
  304   1HG   GLU 957          HG1       GLU 957  -4.409  10.839   6.996
  305   2HG   GLU 957          HG2       GLU 957  -5.789  10.952   5.914
  306    H    VAL 958           H        VAL 958  -2.409   8.459   4.511
  307    HA   VAL 958           HA       VAL 958  -2.812   5.814   3.583
  308    HB   VAL 958           HB       VAL 958  -1.574   6.327   1.727
  309   1HG1  VAL 958          1HG1      VAL 958  -3.275   8.054   2.036
  310   2HG1  VAL 958          2HG1      VAL 958  -2.087   9.075   2.842
  311   3HG1  VAL 958          3HG1      VAL 958  -1.880   8.655   1.143
  312   1HG2  VAL 958          1HG2      VAL 958   0.209   8.115   3.377
  313   2HG2  VAL 958          2HG2      VAL 958   0.596   6.492   2.806
  314   3HG2  VAL 958          3HG2      VAL 958   0.378   7.806   1.649
  315    H    GLY 959           H        GLY 959  -0.393   7.220   5.680
  316   1HA   GLY 959          HA1       GLY 959   1.538   5.142   5.489
  317   2HA   GLY 959          HA2       GLY 959   1.391   6.293   6.810
  318    H    LEU 960           H        LEU 960  -1.138   5.725   7.690
  319    HA   LEU 960           HA       LEU 960  -0.825   3.447   9.321
  320   1HB   LEU 960          HB1       LEU 960  -3.164   5.167   8.609
  321   2HB   LEU 960          HB2       LEU 960  -3.451   3.655   9.447
  322    HG   LEU 960           HG       LEU 960  -1.974   4.415  11.285
  323   1HD1  LEU 960          1HD1      LEU 960  -0.552   5.949  10.048
  324   2HD1  LEU 960          2HD1      LEU 960  -1.926   7.019   9.770
  325   3HD1  LEU 960          3HD1      LEU 960  -1.321   6.769  11.407
  326   1HD2  LEU 960          1HD2      LEU 960  -4.389   4.737  11.412
  327   2HD2  LEU 960          2HD2      LEU 960  -3.525   6.048  12.215
  328   3HD2  LEU 960          3HD2      LEU 960  -4.226   6.303  10.618
  329    H    ALA 961           H        ALA 961  -2.687   3.908   6.360
  330    HA   ALA 961           HA       ALA 961  -3.670   1.477   5.840
  331   1HB   ALA 961          HB1       ALA 961  -2.162   3.055   3.779
  332   2HB   ALA 961          HB2       ALA 961  -3.488   1.924   3.507
  333   3HB   ALA 961          HB3       ALA 961  -3.785   3.442   4.350
  334    H    LEU 962           H        LEU 962  -0.256   2.251   4.741
  335    HA   LEU 962           HA       LEU 962   0.190  -0.518   4.257
  336   1HB   LEU 962          HB1       LEU 962   1.512   1.005   3.042
  337   2HB   LEU 962          HB2       LEU 962   2.063   1.811   4.499
  338    HG   LEU 962           HG       LEU 962   2.809  -1.054   4.163
  339   1HD1  LEU 962          1HD1      LEU 962   3.213  -0.178   1.946
  340   2HD1  LEU 962          2HD1      LEU 962   4.054   1.218   2.624
  341   3HD1  LEU 962          3HD1      LEU 962   4.746  -0.399   2.789
  342   1HD2  LEU 962          1HD2      LEU 962   4.276   1.395   5.153
  343   2HD2  LEU 962          2HD2      LEU 962   3.469   0.196   6.165
  344   3HD2  LEU 962          3HD2      LEU 962   4.877  -0.262   5.208
  345    H    ARG 963           H        ARG 963   0.634   1.472   7.107
  346    HA   ARG 963           HA       ARG 963   2.205  -0.243   8.640
  347   1HB   ARG 963          HB1       ARG 963   1.599   1.979   9.426
  348   2HB   ARG 963          HB2       ARG 963  -0.091   1.507   9.542
  349   1HG   ARG 963          HG1       ARG 963   0.965   1.554  11.727
  350   2HG   ARG 963          HG2       ARG 963   0.464  -0.084  11.300
  351   1HD   ARG 963          HD1       ARG 963   2.819  -0.494  10.527
  352   2HD   ARG 963          HD2       ARG 963   3.248   1.069  11.228
  353    HE   ARG 963           HE       ARG 963   1.904  -0.776  13.017
  354   1HH1  ARG 963          2HH1      ARG 963   4.994   0.388  11.823
  355   2HH1  ARG 963          1HH1      ARG 963   5.870  -0.132  13.235
  356   1HH2  ARG 963          2HH2      ARG 963   3.043  -1.445  14.862
  357   2HH2  ARG 963          1HH2      ARG 963   4.764  -1.213  14.953
  358    H    THR 964           H        THR 964  -1.378  -0.123   8.643
  359    HA   THR 964           HA       THR 964  -1.784  -2.536  10.010
  360    HB   THR 964           HB       THR 964  -3.978  -2.588   8.583
  361    HG1  THR 964           HG1      THR 964  -3.072   0.080   8.097
  362   1HG2  THR 964          1HG2      THR 964  -4.996  -0.906  10.025
  363   2HG2  THR 964          2HG2      THR 964  -3.881  -1.931  10.930
  364   3HG2  THR 964          3HG2      THR 964  -3.396  -0.302  10.460
  365    H    LEU 965           H        LEU 965  -1.669  -1.899   6.558
  366    HA   LEU 965           HA       LEU 965  -1.826  -4.383   5.491
  367   1HB   LEU 965          HB1       LEU 965  -1.593  -2.421   4.129
  368   2HB   LEU 965          HB2       LEU 965   0.046  -2.166   4.693
  369    HG   LEU 965           HG       LEU 965   0.765  -4.208   3.539
  370   1HD1  LEU 965          1HD1      LEU 965  -2.090  -4.323   2.578
  371   2HD1  LEU 965          2HD1      LEU 965  -0.769  -5.333   1.995
  372   3HD1  LEU 965          3HD1      LEU 965  -1.312  -5.470   3.666
  373   1HD2  LEU 965          1HD2      LEU 965   0.870  -2.050   2.401
  374   2HD2  LEU 965          2HD2      LEU 965   0.526  -3.353   1.264
  375   3HD2  LEU 965          3HD2      LEU 965  -0.771  -2.283   1.798
  376    H    LEU 966           H        LEU 966   1.180  -2.991   6.842
  377    HA   LEU 966           HA       LEU 966   2.881  -5.120   6.429
  378   1HB   LEU 966          HB1       LEU 966   2.722  -3.248   8.783
  379   2HB   LEU 966          HB2       LEU 966   4.024  -4.401   8.564
  380    HG   LEU 966           HG       LEU 966   3.349  -2.131   6.692
  381   1HD1  LEU 966          1HD1      LEU 966   5.666  -2.521   8.580
  382   2HD1  LEU 966          2HD1      LEU 966   5.463  -1.181   7.450
  383   3HD1  LEU 966          3HD1      LEU 966   4.337  -1.382   8.792
  384   1HD2  LEU 966          1HD2      LEU 966   4.238  -4.048   5.480
  385   2HD2  LEU 966          2HD2      LEU 966   5.430  -2.751   5.548
  386   3HD2  LEU 966          3HD2      LEU 966   5.591  -4.151   6.608
  387    H    ALA 967           H        ALA 967   0.447  -4.801   8.988
  388    HA   ALA 967           HA       ALA 967   1.125  -7.123  10.418
  389   1HB   ALA 967          HB1       ALA 967  -0.513  -5.496  11.243
  390   2HB   ALA 967          HB2       ALA 967  -1.634  -5.987   9.974
  391   3HB   ALA 967          HB3       ALA 967  -1.173  -7.133  11.232
  392    H    THR 968           H        THR 968  -1.078  -6.692   7.656
  393    HA   THR 968           HA       THR 968  -1.626  -9.412   7.238
  394    HB   THR 968           HB       THR 968  -1.843  -6.932   5.633
  395    HG1  THR 968           HG1      THR 968  -3.914  -8.588   5.463
  396   1HG2  THR 968          1HG2      THR 968  -2.569  -8.145   3.642
  397   2HG2  THR 968          2HG2      THR 968  -0.874  -8.476   4.000
  398   3HG2  THR 968          3HG2      THR 968  -2.109  -9.671   4.395
  399    H    VAL 969           H        VAL 969   0.988  -7.351   5.891
  400    HA   VAL 969           HA       VAL 969   2.267  -9.219   4.344
  401    HB   VAL 969           HB       VAL 969   3.506  -7.119   6.138
  402   1HG1  VAL 969          1HG1      VAL 969   5.165  -8.813   5.537
  403   2HG1  VAL 969          2HG1      VAL 969   4.759  -8.608   3.832
  404   3HG1  VAL 969          3HG1      VAL 969   5.492  -7.279   4.730
  405   1HG2  VAL 969          1HG2      VAL 969   3.621  -5.790   4.082
  406   2HG2  VAL 969          2HG2      VAL 969   2.815  -7.089   3.201
  407   3HG2  VAL 969          3HG2      VAL 969   1.960  -6.227   4.481
  408    H    ASP 970           H        ASP 970   2.209  -8.964   7.847
  409    HA   ASP 970           HA       ASP 970   4.164 -11.001   8.296
  410   1HB   ASP 970          HB1       ASP 970   2.214  -9.514   9.986
  411   2HB   ASP 970          HB2       ASP 970   2.797 -11.056  10.598
  412    H    GLU 971           H        GLU 971   0.768 -11.063   7.604
  413    HA   GLU 971           HA       GLU 971   0.410 -13.820   8.309
  414   1HB   GLU 971          HB1       GLU 971  -1.119 -12.311   6.186
  415   2HB   GLU 971          HB2       GLU 971  -1.667 -13.684   7.138
  416   1HG   GLU 971          HG1       GLU 971  -1.057 -10.966   8.268
  417   2HG   GLU 971          HG2       GLU 971  -2.664 -11.519   7.799
  418    H    SER 972           H        SER 972   1.160 -12.016   5.369
  419    HA   SER 972           HA       SER 972   1.448 -14.282   3.704
  420   1HB   SER 972          HB1       SER 972   0.945 -12.147   2.729
  421   2HB   SER 972          HB2       SER 972   2.405 -11.429   3.427
  422    HG   SER 972           HG       SER 972   3.445 -13.269   2.125
  423    H    LEU 973           H        LEU 973   3.502 -12.728   6.001
  424    HA   LEU 973           HA       LEU 973   6.015 -13.439   5.012
  425   1HB   LEU 973          HB1       LEU 973   5.683 -11.833   6.835
  426   2HB   LEU 973          HB2       LEU 973   5.160 -13.128   7.895
  427    HG   LEU 973           HG       LEU 973   7.417 -14.147   7.708
  428   1HD1  LEU 973          1HD1      LEU 973   9.239 -12.849   6.754
  429   2HD1  LEU 973          2HD1      LEU 973   8.023 -13.214   5.528
  430   3HD1  LEU 973          3HD1      LEU 973   8.099 -11.603   6.243
  431   1HD2  LEU 973          1HD2      LEU 973   7.343 -11.286   8.660
  432   2HD2  LEU 973          2HD2      LEU 973   6.884 -12.711   9.593
  433   3HD2  LEU 973          3HD2      LEU 973   8.562 -12.481   9.101
  434    HA   PRO 974           HA       PRO 974   5.759 -17.673   7.347
  435   1HB   PRO 974          HB1       PRO 974   3.143 -18.557   7.673
  436   2HB   PRO 974          HB2       PRO 974   4.208 -18.011   8.970
  437   1HG   PRO 974          HG1       PRO 974   2.033 -16.559   7.564
  438   2HG   PRO 974          HG2       PRO 974   2.558 -16.445   9.253
  439   1HD   PRO 974          HD1       PRO 974   3.165 -14.561   7.412
  440   2HD   PRO 974          HD2       PRO 974   4.245 -14.959   8.761
  441    H    VAL 975           H        VAL 975   3.329 -16.386   5.149
  442    HA   VAL 975           HA       VAL 975   3.318 -18.802   3.524
  443    HB   VAL 975           HB       VAL 975   2.454 -16.114   2.475
  444   1HG1  VAL 975          1HG1      VAL 975   1.504 -18.941   2.011
  445   2HG1  VAL 975          2HG1      VAL 975   0.866 -17.496   1.229
  446   3HG1  VAL 975          3HG1      VAL 975   2.530 -18.000   0.929
  447   1HG2  VAL 975          1HG2      VAL 975   0.853 -17.954   4.261
  448   2HG2  VAL 975          2HG2      VAL 975   1.420 -16.336   4.675
  449   3HG2  VAL 975          3HG2      VAL 975   0.220 -16.550   3.400
  450    H    LEU 976           H        LEU 976   5.498 -16.305   3.983
  451    HA   LEU 976           HA       LEU 976   6.603 -16.113   1.387
  452   1HB   LEU 976          HB1       LEU 976   7.030 -14.291   2.731
  453   2HB   LEU 976          HB2       LEU 976   7.494 -15.261   4.111
  454    HG   LEU 976           HG       LEU 976   9.250 -15.164   1.672
  455   1HD1  LEU 976          1HD1      LEU 976   8.733 -12.837   2.267
  456   2HD1  LEU 976          2HD1      LEU 976   9.230 -13.160   3.928
  457   3HD1  LEU 976          3HD1      LEU 976  10.411 -13.251   2.622
  458   1HD2  LEU 976          1HD2      LEU 976   9.833 -15.469   4.619
  459   2HD2  LEU 976          2HD2      LEU 976   9.790 -16.779   3.439
  460   3HD2  LEU 976          3HD2      LEU 976  11.017 -15.519   3.315
  461    HA   PRO 977           HA       PRO 977   9.812 -19.427   2.715
  462   1HB   PRO 977          HB1       PRO 977   9.244 -20.984   4.870
  463   2HB   PRO 977          HB2       PRO 977  10.243 -19.529   4.971
  464   1HG   PRO 977          HG1       PRO 977   7.352 -19.893   5.644
  465   2HG   PRO 977          HG2       PRO 977   8.601 -18.991   6.522
  466   1HD   PRO 977          HD1       PRO 977   6.788 -17.781   4.922
  467   2HD   PRO 977          HD2       PRO 977   8.436 -17.161   5.131
  468    H    ALA 978           H        ALA 978   6.381 -19.754   3.223
  469    HA   ALA 978           HA       ALA 978   6.113 -22.398   2.251
  470   1HB   ALA 978          HB1       ALA 978   3.769 -21.819   1.866
  471   2HB   ALA 978          HB2       ALA 978   4.316 -21.268   3.450
  472   3HB   ALA 978          HB3       ALA 978   4.144 -20.115   2.126
  473    H    SER 979           H        SER 979   5.742 -19.248   0.588
  474    HA   SER 979           HA       SER 979   6.789 -20.263  -1.868
  475   1HB   SER 979          HB1       SER 979   3.794 -19.974  -1.553
  476   2HB   SER 979          HB2       SER 979   4.584 -19.880  -3.133
  477    HG   SER 979           HG       SER 979   5.342 -22.045  -1.597
  478    H    THR 980           H        THR 980   5.075 -17.725  -0.151
  479    HA   THR 980           HA       THR 980   4.819 -15.884  -2.253
  480    HB   THR 980           HB       THR 980   4.869 -15.239   0.693
  481    HG1  THR 980           HG1      THR 980   2.667 -15.726   0.611
  482   1HG2  THR 980          1HG2      THR 980   3.342 -13.427   0.031
  483   2HG2  THR 980          2HG2      THR 980   4.913 -13.266  -0.752
  484   3HG2  THR 980          3HG2      THR 980   3.535 -13.890  -1.659
  485    H    HIS 981           H        HIS 981   7.633 -16.594  -0.419
  486    HA   HIS 981           HA       HIS 981   8.817 -14.189   0.079
  487   1HB   HIS 981          HB1       HIS 981   9.801 -16.306   0.774
  488   2HB   HIS 981          HB2       HIS 981  10.162 -16.721  -0.896
  489    HD1  HIS 981           HD1      HIS 981  12.666 -16.830  -0.765
  490    HD2  HIS 981           HD2      HIS 981  11.152 -13.289   0.802
  491    HE1  HIS 981           HE1      HIS 981  14.663 -15.362  -0.352
  492    HE2  HIS 981           HE2      HIS 981  13.710 -13.166   0.443
  493    H    ARG 982           H        ARG 982   8.485 -15.634  -3.090
  494    HA   ARG 982           HA       ARG 982  10.396 -13.905  -4.330
  495   1HB   ARG 982          HB1       ARG 982   9.739 -15.969  -5.417
  496   2HB   ARG 982          HB2       ARG 982   8.067 -15.431  -5.504
  497   1HG   ARG 982          HG1       ARG 982   9.269 -15.276  -7.653
  498   2HG   ARG 982          HG2       ARG 982   8.634 -13.729  -7.092
  499   1HD   ARG 982          HD1       ARG 982  10.890 -13.489  -7.989
  500   2HD   ARG 982          HD2       ARG 982  10.837 -13.105  -6.272
  501    HE   ARG 982           HE       ARG 982  11.556 -15.833  -6.743
  502   1HH1  ARG 982          2HH1      ARG 982  12.771 -12.547  -6.624
  503   2HH1  ARG 982          1HH1      ARG 982  14.419 -13.032  -6.361
  504   1HH2  ARG 982          2HH2      ARG 982  13.734 -16.473  -6.391
  505   2HH2  ARG 982          1HH2      ARG 982  14.961 -15.252  -6.219
  506    H    GLU 983           H        GLU 983   6.782 -13.804  -4.486
  507    HA   GLU 983           HA       GLU 983   6.782 -11.227  -5.600
  508   1HB   GLU 983          HB1       GLU 983   4.892 -13.158  -5.224
  509   2HB   GLU 983          HB2       GLU 983   4.379 -11.923  -4.088
  510   1HG   GLU 983          HG1       GLU 983   3.281 -11.182  -5.918
  511   2HG   GLU 983          HG2       GLU 983   4.822 -10.345  -6.159
  512    H    ILE 984           H        ILE 984   6.379 -12.300  -2.245
  513    HA   ILE 984           HA       ILE 984   5.358  -9.881  -1.270
  514    HB   ILE 984           HB       ILE 984   5.303 -12.003   0.001
  515   1HG1  ILE 984          1HG1      ILE 984   6.595  -9.674   1.443
  516   2HG1  ILE 984          2HG1      ILE 984   4.875  -9.869   1.129
  517   1HG2  ILE 984          1HG2      ILE 984   7.540 -12.815  -0.390
  518   2HG2  ILE 984          2HG2      ILE 984   8.229 -11.433   0.465
  519   3HG2  ILE 984          3HG2      ILE 984   7.282 -12.633   1.345
  520   1HD1  ILE 984          1HD1      ILE 984   5.416 -10.419   3.426
  521   2HD1  ILE 984          2HD1      ILE 984   4.841 -11.847   2.564
  522   3HD1  ILE 984          3HD1      ILE 984   6.564 -11.642   2.879
  523    H    GLU 985           H        GLU 985   8.625 -10.906  -1.928
  524    HA   GLU 985           HA       GLU 985   9.867  -8.689  -0.645
  525   1HB   GLU 985          HB1       GLU 985  10.831 -10.679  -2.683
  526   2HB   GLU 985          HB2       GLU 985  11.837  -9.346  -2.132
  527   1HG   GLU 985          HG1       GLU 985  10.636 -11.467  -0.370
  528   2HG   GLU 985          HG2       GLU 985  12.306 -11.423  -0.934
  529    H    MET 986           H        MET 986   8.663  -9.285  -3.947
  530    HA   MET 986           HA       MET 986   9.976  -7.012  -5.000
  531   1HB   MET 986          HB1       MET 986   8.741  -7.256  -7.010
  532   2HB   MET 986          HB2       MET 986   9.195  -8.851  -6.441
  533   1HG   MET 986          HG1       MET 986   6.991  -9.361  -5.804
  534   2HG   MET 986          HG2       MET 986   6.483  -7.673  -5.919
  535   1HE   MET 986          HE1       MET 986   7.667 -10.835  -7.959
  536   2HE   MET 986          HE2       MET 986   7.593 -10.219  -9.611
  537   3HE   MET 986          HE3       MET 986   8.786  -9.576  -8.482
  538    H    ALA 987           H        ALA 987   6.493  -7.392  -4.278
  539    HA   ALA 987           HA       ALA 987   5.945  -4.677  -4.651
  540   1HB   ALA 987          HB1       ALA 987   4.261  -6.430  -4.809
  541   2HB   ALA 987          HB2       ALA 987   4.362  -6.673  -3.065
  542   3HB   ALA 987          HB3       ALA 987   3.780  -5.138  -3.710
  543    H    GLN 988           H        GLN 988   6.534  -6.512  -1.640
  544    HA   GLN 988           HA       GLN 988   5.790  -4.461   0.100
  545   1HB   GLN 988          HB1       GLN 988   6.192  -6.764   0.844
  546   2HB   GLN 988          HB2       GLN 988   7.914  -6.559   0.563
  547   1HG   GLN 988          HG1       GLN 988   7.768  -4.635   2.240
  548   2HG   GLN 988          HG2       GLN 988   6.196  -5.308   2.671
  549   1HE2  GLN 988          2HE2      GLN 988   7.143  -8.046   2.090
  550   2HE2  GLN 988          1HE2      GLN 988   8.144  -8.491   3.432
  551    H    LYS 989           H        LYS 989   8.980  -5.194  -1.256
  552    HA   LYS 989           HA       LYS 989  10.421  -3.133  -0.005
  553   1HB   LYS 989          HB1       LYS 989  11.521  -4.971  -1.137
  554   2HB   LYS 989          HB2       LYS 989  10.804  -4.507  -2.670
  555   1HG   LYS 989          HG1       LYS 989  12.127  -2.457  -2.674
  556   2HG   LYS 989          HG2       LYS 989  12.845  -2.918  -1.126
  557   1HD   LYS 989          HD1       LYS 989  13.823  -4.889  -2.114
  558   2HD   LYS 989          HD2       LYS 989  13.002  -4.573  -3.641
  559   1HE   LYS 989          HE1       LYS 989  14.293  -2.501  -3.893
  560   2HE   LYS 989          HE2       LYS 989  15.119  -2.842  -2.371
  561   1HZ   LYS 989          HZ1       LYS 989  15.204  -4.569  -4.788
  562   2HZ   LYS 989          HZ2       LYS 989  16.440  -3.514  -4.292
  563   3HZ   LYS 989          HZ3       LYS 989  16.025  -4.850  -3.333
  564    H    LEU 990           H        LEU 990   8.400  -3.242  -2.830
  565    HA   LEU 990           HA       LEU 990   9.006  -0.624  -3.787
  566   1HB   LEU 990          HB1       LEU 990   8.223  -1.811  -5.528
  567   2HB   LEU 990          HB2       LEU 990   7.340  -2.915  -4.502
  568    HG   LEU 990           HG       LEU 990   5.508  -1.242  -4.372
  569   1HD1  LEU 990          1HD1      LEU 990   7.111   0.144  -6.531
  570   2HD1  LEU 990          2HD1      LEU 990   5.459   0.547  -6.058
  571   3HD1  LEU 990          3HD1      LEU 990   6.783   0.776  -4.916
  572   1HD2  LEU 990          1HD2      LEU 990   4.658  -1.708  -6.607
  573   2HD2  LEU 990          2HD2      LEU 990   6.274  -2.186  -7.127
  574   3HD2  LEU 990          3HD2      LEU 990   5.425  -3.129  -5.901
  575    H    LEU 991           H        LEU 991   6.363  -2.033  -1.898
  576    HA   LEU 991           HA       LEU 991   4.765   0.179  -1.412
  577   1HB   LEU 991          HB1       LEU 991   5.554  -1.845   0.679
  578   2HB   LEU 991          HB2       LEU 991   4.110  -0.853   0.668
  579    HG   LEU 991           HG       LEU 991   4.616  -2.846  -1.505
  580   1HD1  LEU 991          1HD1      LEU 991   4.836  -4.007   0.652
  581   2HD1  LEU 991          2HD1      LEU 991   3.287  -3.335   1.165
  582   3HD1  LEU 991          3HD1      LEU 991   3.354  -4.471  -0.183
  583   1HD2  LEU 991          1HD2      LEU 991   2.107  -1.711  -0.272
  584   2HD2  LEU 991          2HD2      LEU 991   2.823  -1.194  -1.798
  585   3HD2  LEU 991          3HD2      LEU 991   2.186  -2.829  -1.632
  586    H    ASN 992           H        ASN 992   7.399  -0.987   0.652
  587    HA   ASN 992           HA       ASN 992   7.522   0.933   2.555
  588   1HB   ASN 992          HB1       ASN 992   8.981  -1.028   2.540
  589   2HB   ASN 992          HB2       ASN 992   9.875  -0.376   1.171
  590   1HD2  ASN 992          2HD2      ASN 992  11.836  -0.224   2.117
  591   2HD2  ASN 992          1HD2      ASN 992  12.187   0.834   3.444
  592    H    SER 993           H        SER 993   9.088   1.107  -0.627
  593    HA   SER 993           HA       SER 993  10.263   3.639  -0.088
  594   1HB   SER 993          HB1       SER 993  10.642   3.552  -2.648
  595   2HB   SER 993          HB2       SER 993  11.456   2.365  -1.631
  596    HG   SER 993           HG       SER 993   8.994   1.936  -3.005
  597    H    ASP 994           H        ASP 994   7.401   2.612  -1.998
  598    HA   ASP 994           HA       ASP 994   7.085   5.317  -2.926
  599   1HB   ASP 994          HB1       ASP 994   5.540   2.796  -3.465
  600   2HB   ASP 994          HB2       ASP 994   5.057   4.364  -4.110
  601    H    LEU 995           H        LEU 995   5.188   3.233  -0.677
  602    HA   LEU 995           HA       LEU 995   3.240   5.100  -0.017
  603   1HB   LEU 995          HB1       LEU 995   3.271   2.823   0.928
  604   2HB   LEU 995          HB2       LEU 995   4.681   3.242   1.884
  605    HG   LEU 995           HG       LEU 995   2.772   5.170   2.549
  606   1HD1  LEU 995          1HD1      LEU 995   1.514   2.459   2.420
  607   2HD1  LEU 995          2HD1      LEU 995   0.836   3.886   3.204
  608   3HD1  LEU 995          3HD1      LEU 995   1.073   3.868   1.455
  609   1HD2  LEU 995          1HD2      LEU 995   2.772   4.046   4.723
  610   2HD2  LEU 995          2HD2      LEU 995   3.579   2.660   3.996
  611   3HD2  LEU 995          3HD2      LEU 995   4.399   4.218   4.069
  612    H    ALA 996           H        ALA 996   6.264   4.576   1.819
  613    HA   ALA 996           HA       ALA 996   6.263   6.956   3.205
  614   1HB   ALA 996          HB1       ALA 996   8.668   6.686   3.498
  615   2HB   ALA 996          HB2       ALA 996   7.828   5.146   3.685
  616   3HB   ALA 996          HB3       ALA 996   8.698   5.501   2.193
  617    H    GLU 997           H        GLU 997   6.949   6.476  -0.125
  618    HA   GLU 997           HA       GLU 997   8.342   8.960  -0.449
  619   1HB   GLU 997          HB1       GLU 997   8.300   7.050  -2.183
  620   2HB   GLU 997          HB2       GLU 997   6.763   7.749  -2.694
  621   1HG   GLU 997          HG1       GLU 997   7.977   9.951  -2.875
  622   2HG   GLU 997          HG2       GLU 997   9.470   9.039  -2.691
  623    H    LEU 998           H        LEU 998   4.990   7.912  -0.735
  624    HA   LEU 998           HA       LEU 998   3.937  10.364  -1.659
  625   1HB   LEU 998          HB1       LEU 998   2.895   7.896  -1.167
  626   2HB   LEU 998          HB2       LEU 998   2.267   8.786   0.206
  627    HG   LEU 998           HG       LEU 998   1.747   9.279  -2.719
  628   1HD1  LEU 998          1HD1      LEU 998  -0.077   8.757  -0.382
  629   2HD1  LEU 998          2HD1      LEU 998  -0.575   9.009  -2.055
  630   3HD1  LEU 998          3HD1      LEU 998   0.379   7.590  -1.623
  631   1HD2  LEU 998          1HD2      LEU 998   1.046  11.071  -0.401
  632   2HD2  LEU 998          2HD2      LEU 998   2.139  11.450  -1.733
  633   3HD2  LEU 998          3HD2      LEU 998   0.416  11.229  -2.040
  634    H    ILE 999           H        ILE 999   4.359   9.005   1.563
  635    HA   ILE 999           HA       ILE 999   3.240  11.039   3.099
  636    HB   ILE 999           HB       ILE 999   5.596   9.266   3.786
  637   1HG1  ILE 999          1HG1      ILE 999   2.647   8.939   4.387
  638   2HG1  ILE 999          2HG1      ILE 999   3.529   8.057   3.146
  639   1HG2  ILE 999          1HG2      ILE 999   3.784  10.857   5.602
  640   2HG2  ILE 999          2HG2      ILE 999   5.003   9.699   6.132
  641   3HG2  ILE 999          3HG2      ILE 999   5.491  11.170   5.290
  642   1HD1  ILE 999          1HD1      ILE 999   4.935   7.051   4.884
  643   2HD1  ILE 999          2HD1      ILE 999   4.002   7.906   6.113
  644   3HD1  ILE 999          3HD1      ILE 999   3.224   6.685   5.106
  645    H    ASN1000           H        ASN1000   6.666  10.478   2.811
  646    HA   ASN1000           HA       ASN1000   7.629  12.939   3.571
  647   1HB   ASN1000          HB1       ASN1000   9.537  11.817   3.300
  648   2HB   ASN1000          HB2       ASN1000   8.618  10.530   2.536
  649   1HD2  ASN1000          2HD2      ASN1000   8.269  10.735   0.191
  650   2HD2  ASN1000          1HD2      ASN1000   9.569  11.377  -0.752
  651    H    LYS1001           H        LYS1001   6.002  12.293   0.569
  652    HA   LYS1001           HA       LYS1001   7.317  14.491  -0.799
  653   1HB   LYS1001          HB1       LYS1001   5.283  12.456  -1.600
  654   2HB   LYS1001          HB2       LYS1001   5.390  13.952  -2.514
  655   1HG   LYS1001          HG1       LYS1001   7.727  12.118  -2.032
  656   2HG   LYS1001          HG2       LYS1001   6.691  12.047  -3.458
  657   1HD   LYS1001          HD1       LYS1001   7.288  14.364  -3.993
  658   2HD   LYS1001          HD2       LYS1001   8.332  14.417  -2.571
  659   1HE   LYS1001          HE1       LYS1001   9.660  14.018  -4.553
  660   2HE   LYS1001          HE2       LYS1001   9.682  12.591  -3.520
  661   1HZ   LYS1001          HZ1       LYS1001   9.371  12.219  -5.983
  662   2HZ   LYS1001          HZ2       LYS1001   8.253  11.441  -4.972
  663   3HZ   LYS1001          HZ3       LYS1001   7.814  12.851  -5.804
  664    H    MET1002           H        MET1002   4.221  13.810   0.758
  665    HA   MET1002           HA       MET1002   3.128  16.378  -0.005
  666   1HB   MET1002          HB1       MET1002   2.138  14.434   2.094
  667   2HB   MET1002          HB2       MET1002   1.227  15.758   1.374
  668   1HG   MET1002          HG1       MET1002   1.536  14.592  -0.842
  669   2HG   MET1002          HG2       MET1002   2.141  13.210   0.073
  670   1HE   MET1002          HE1       MET1002  -0.776  15.757   0.914
  671   2HE   MET1002          HE2       MET1002  -0.900  15.452  -0.818
  672   3HE   MET1002          HE3       MET1002  -2.156  14.865   0.274
  673    H    LYS1003           H        LYS1003   4.610  14.788   2.680
  674    HA   LYS1003           HA       LYS1003   4.713  16.919   4.506
  675   1HB   LYS1003          HB1       LYS1003   5.291  14.442   4.834
  676   2HB   LYS1003          HB2       LYS1003   6.831  14.804   4.076
  677   1HG   LYS1003          HG1       LYS1003   7.429  16.282   5.845
  678   2HG   LYS1003          HG2       LYS1003   5.820  16.153   6.561
  679   1HD   LYS1003          HD1       LYS1003   6.267  13.661   6.754
  680   2HD   LYS1003          HD2       LYS1003   7.944  14.032   6.358
  681   1HE   LYS1003          HE1       LYS1003   6.406  15.159   8.694
  682   2HE   LYS1003          HE2       LYS1003   7.570  13.840   8.780
  683   1HZ   LYS1003          HZ1       LYS1003   8.623  15.861   9.439
  684   2HZ   LYS1003          HZ2       LYS1003   9.266  15.398   7.937
  685   3HZ   LYS1003          HZ3       LYS1003   8.129  16.655   8.024
  686    H    LEU1004           H        LEU1004   6.861  15.848   1.937
  687    HA   LEU1004           HA       LEU1004   8.780  17.860   1.975
  688   1HB   LEU1004          HB1       LEU1004   8.651  15.727   0.558
  689   2HB   LEU1004          HB2       LEU1004   7.722  16.686  -0.574
  690    HG   LEU1004           HG       LEU1004   9.630  18.228  -0.831
  691   1HD1  LEU1004          1HD1      LEU1004  11.809  17.620   0.086
  692   2HD1  LEU1004          2HD1      LEU1004  10.637  17.942   1.365
  693   3HD1  LEU1004          3HD1      LEU1004  11.069  16.280   0.963
  694   1HD2  LEU1004          1HD2      LEU1004   9.369  16.348  -2.365
  695   2HD2  LEU1004          2HD2      LEU1004  11.072  16.708  -2.085
  696   3HD2  LEU1004          3HD2      LEU1004  10.320  15.327  -1.286
  697    H    ALA1005           H        ALA1005   5.728  17.815   0.116
  698    HA   ALA1005           HA       ALA1005   5.998  20.339  -1.067
  699   1HB   ALA1005          HB1       ALA1005   4.271  18.714  -1.711
  700   2HB   ALA1005          HB2       ALA1005   3.454  18.988  -0.173
  701   3HB   ALA1005          HB3       ALA1005   3.578  20.295  -1.349
  702    H    GLN1006           H        GLN1006   4.559  19.372   1.971
  703    HA   GLN1006           HA       GLN1006   4.036  22.054   2.795
  704   1HB   GLN1006          HB1       GLN1006   3.836  19.375   4.171
  705   2HB   GLN1006          HB2       GLN1006   3.401  20.900   4.961
  706   1HG   GLN1006          HG1       GLN1006   2.213  19.727   2.471
  707   2HG   GLN1006          HG2       GLN1006   1.433  19.943   4.046
  708   1HE2  GLN1006          2HE2      GLN1006   2.356  22.481   4.693
  709   2HE2  GLN1006          1HE2      GLN1006   1.674  23.626   3.591
  710    H    GLN1007           H        GLN1007   6.790  20.248   2.602
  711    HA   GLN1007           HA       GLN1007   8.173  21.511   4.806
  712   1HB   GLN1007          HB1       GLN1007   8.455  19.087   3.633
  713   2HB   GLN1007          HB2       GLN1007   9.623  20.011   2.702
  714   1HG   GLN1007          HG1       GLN1007  10.684  18.878   4.549
  715   2HG   GLN1007          HG2       GLN1007  10.776  20.631   4.774
  716   1HE2  GLN1007          2HE2      GLN1007   7.860  18.784   5.258
  717   2HE2  GLN1007          1HE2      GLN1007   7.793  18.955   6.984
  718    H    TYR1008           H        TYR1008   7.503  21.930   1.508
  719    HA   TYR1008           HA       TYR1008   9.520  24.060   1.239
  720   1HB   TYR1008          HB1       TYR1008  10.030  22.094  -0.136
  721   2HB   TYR1008          HB2       TYR1008   8.430  22.157  -0.849
  722    HD1  TYR1008           HD1      TYR1008   8.265  23.022  -2.953
  723    HD2  TYR1008           HD2      TYR1008  11.415  24.398  -0.443
  724    HE1  TYR1008           HE1      TYR1008   9.160  24.349  -4.817
  725    HE2  TYR1008           HE2      TYR1008  12.315  25.738  -2.302
  726    HH   TYR1008           HH       TYR1008  10.570  26.165  -5.282
  727    H    VAL1009           H        VAL1009   6.598  23.856   2.085
  728    HA   VAL1009           HA       VAL1009   4.998  25.173   0.218
  729    HB   VAL1009           HB       VAL1009   3.992  24.099   2.120
  730   1HG1  VAL1009          1HG1      VAL1009   5.355  26.147   3.854
  731   2HG1  VAL1009          2HG1      VAL1009   4.194  24.935   4.395
  732   3HG1  VAL1009          3HG1      VAL1009   5.758  24.432   3.754
  733   1HG2  VAL1009          1HG2      VAL1009   2.766  25.973   1.153
  734   2HG2  VAL1009          2HG2      VAL1009   2.452  25.831   2.883
  735   3HG2  VAL1009          3HG2      VAL1009   3.548  27.075   2.284
  736    H    MET1010           H        MET1010   6.154  26.770  -0.772
  737    HA   MET1010           HA       MET1010   6.725  29.146   0.867
  738   1HB   MET1010          HB1       MET1010   8.723  27.907  -0.110
  739   2HB   MET1010          HB2       MET1010   8.143  28.408  -1.691
  740   1HG   MET1010          HG1       MET1010   9.889  29.881  -0.910
  741   2HG   MET1010          HG2       MET1010   8.358  30.746  -1.033
  742   1HE   MET1010          HE1       MET1010  11.036  31.652   0.606
  743   2HE   MET1010          HE2       MET1010   9.604  32.665   0.423
  744   3HE   MET1010          HE3       MET1010  10.277  32.375   2.027
  745    H    THR1011           H        THR1011   4.365  29.369   0.324
  746    HA   THR1011           HA       THR1011   2.724  30.555  -0.662
  747    HB   THR1011           HB       THR1011   4.878  31.959  -2.240
  748    HG1  THR1011           HG1      THR1011   4.252  31.990   0.487
  749   1HG2  THR1011          1HG2      THR1011   3.345  33.857  -2.140
  750   2HG2  THR1011          2HG2      THR1011   2.555  32.467  -2.884
  751   3HG2  THR1011          3HG2      THR1011   2.194  32.898  -1.213
  752    H    SER1012           H        SER1012   4.725  30.824  -3.574
  753    HA   SER1012           HA       SER1012   2.657  29.268  -4.970
  754   1HB   SER1012          HB1       SER1012   2.998  31.664  -5.648
  755   2HB   SER1012          HB2       SER1012   4.616  31.223  -6.191
  756    HG   SER1012           HG       SER1012   2.252  29.949  -7.118
  757    H    LEU1013           H        LEU1013   5.814  29.041  -3.881
  758    HA   LEU1013           HA       LEU1013   6.818  27.389  -6.038
  759   1HB   LEU1013          HB1       LEU1013   7.920  27.838  -3.260
  760   2HB   LEU1013          HB2       LEU1013   8.759  27.041  -4.576
  761    HG   LEU1013           HG       LEU1013   7.940  29.947  -4.526
  762   1HD1  LEU1013          1HD1      LEU1013  10.658  28.664  -4.284
  763   2HD1  LEU1013          2HD1      LEU1013  10.327  30.395  -4.342
  764   3HD1  LEU1013          3HD1      LEU1013   9.760  29.435  -2.976
  765   1HD2  LEU1013          1HD2      LEU1013   7.905  29.045  -6.782
  766   2HD2  LEU1013          2HD2      LEU1013   9.286  30.122  -6.571
  767   3HD2  LEU1013          3HD2      LEU1013   9.520  28.375  -6.557
  768    H    GLN1014           H        GLN1014   4.679  26.968  -3.571
  769    HA   GLN1014           HA       GLN1014   5.430  24.471  -2.467
  770   1HB   GLN1014          HB1       GLN1014   3.859  26.209  -1.478
  771   2HB   GLN1014          HB2       GLN1014   2.647  25.636  -2.611
  772   1HG   GLN1014          HG1       GLN1014   3.945  23.659  -0.820
  773   2HG   GLN1014          HG2       GLN1014   2.758  24.765  -0.136
  774   1HE2  GLN1014          2HE2      GLN1014   3.294  22.120  -2.298
  775   2HE2  GLN1014          1HE2      GLN1014   1.630  21.739  -2.561
  776    H    GLN1015           H        GLN1015   3.162  25.406  -5.022
  777    HA   GLN1015           HA       GLN1015   1.933  23.003  -5.492
  778   1HB   GLN1015          HB1       GLN1015   1.303  25.172  -6.503
  779   2HB   GLN1015          HB2       GLN1015   2.668  25.021  -7.594
  780   1HG   GLN1015          HG1       GLN1015   1.703  22.984  -8.531
  781   2HG   GLN1015          HG2       GLN1015   0.333  23.137  -7.435
  782   1HE2  GLN1015          2HE2      GLN1015   1.872  25.852  -9.045
  783   2HE2  GLN1015          1HE2      GLN1015   0.538  26.223 -10.081
  784    H    GLU1016           H        GLU1016   5.059  24.047  -6.860
  785    HA   GLU1016           HA       GLU1016   5.559  22.010  -8.616
  786   1HB   GLU1016          HB1       GLU1016   7.105  23.832  -8.287
  787   2HB   GLU1016          HB2       GLU1016   7.445  23.305  -6.646
  788   1HG   GLU1016          HG1       GLU1016   8.661  21.440  -7.380
  789   2HG   GLU1016          HG2       GLU1016   8.042  21.582  -9.024
  790    H    TYR1017           H        TYR1017   6.552  21.940  -5.243
  791    HA   TYR1017           HA       TYR1017   7.125  19.181  -5.165
  792   1HB   TYR1017          HB1       TYR1017   6.626  21.204  -3.024
  793   2HB   TYR1017          HB2       TYR1017   6.662  19.492  -2.606
  794    HD1  TYR1017           HD1      TYR1017   8.744  20.713  -5.341
  795    HD2  TYR1017           HD2      TYR1017   8.627  19.834  -1.172
  796    HE1  TYR1017           HE1      TYR1017  11.202  20.756  -5.268
  797    HE2  TYR1017           HE2      TYR1017  11.083  19.872  -1.102
  798    HH   TYR1017           HH       TYR1017  12.994  21.132  -3.575
  799    H    LYS1018           H        LYS1018   4.123  20.915  -4.406
  800    HA   LYS1018           HA       LYS1018   2.491  18.816  -3.722
  801   1HB   LYS1018          HB1       LYS1018   1.745  21.132  -3.750
  802   2HB   LYS1018          HB2       LYS1018   1.838  21.169  -5.503
  803   1HG   LYS1018          HG1       LYS1018   0.075  19.428  -5.583
  804   2HG   LYS1018          HG2       LYS1018  -0.061  19.551  -3.827
  805   1HD   LYS1018          HD1       LYS1018  -0.647  21.914  -4.034
  806   2HD   LYS1018          HD2       LYS1018  -0.509  21.800  -5.791
  807   1HE   LYS1018          HE1       LYS1018  -2.299  20.099  -5.781
  808   2HE   LYS1018          HE2       LYS1018  -2.459  20.309  -4.038
  809   1HZ   LYS1018          HZ1       LYS1018  -3.026  22.643  -4.434
  810   2HZ   LYS1018          HZ2       LYS1018  -2.952  22.380  -6.108
  811   3HZ   LYS1018          HZ3       LYS1018  -4.126  21.587  -5.179
  812    H    LYS1019           H        LYS1019   3.507  19.749  -6.994
  813    HA   LYS1019           HA       LYS1019   1.893  17.829  -8.326
  814   1HB   LYS1019          HB1       LYS1019   3.008  19.867  -9.349
  815   2HB   LYS1019          HB2       LYS1019   4.513  18.961  -9.312
  816   1HG   LYS1019          HG1       LYS1019   3.504  18.865 -11.508
  817   2HG   LYS1019          HG2       LYS1019   3.526  17.265 -10.767
  818   1HD   LYS1019          HD1       LYS1019   1.192  17.442 -10.196
  819   2HD   LYS1019          HD2       LYS1019   1.144  19.114 -10.757
  820   1HE   LYS1019          HE1       LYS1019   0.162  17.598 -12.402
  821   2HE   LYS1019          HE2       LYS1019   1.611  18.380 -13.031
  822   1HZ   LYS1019          HZ1       LYS1019   1.483  15.989 -13.543
  823   2HZ   LYS1019          HZ2       LYS1019   2.867  16.389 -12.646
  824   3HZ   LYS1019          HZ3       LYS1019   1.546  15.638 -11.885
  825    H    GLN1020           H        GLN1020   5.276  17.867  -7.314
  826    HA   GLN1020           HA       GLN1020   5.996  15.276  -7.996
  827   1HB   GLN1020          HB1       GLN1020   6.868  16.937  -5.636
  828   2HB   GLN1020          HB2       GLN1020   7.641  15.431  -6.113
  829   1HG   GLN1020          HG1       GLN1020   8.192  16.414  -8.287
  830   2HG   GLN1020          HG2       GLN1020   7.440  17.928  -7.783
  831   1HE2  GLN1020          2HE2      GLN1020   9.377  19.046  -8.050
  832   2HE2  GLN1020          1HE2      GLN1020  10.691  18.893  -6.931
  833    H    MET1021           H        MET1021   4.113  16.374  -5.216
  834    HA   MET1021           HA       MET1021   4.197  13.827  -3.902
  835   1HB   MET1021          HB1       MET1021   2.965  14.773  -2.215
  836   2HB   MET1021          HB2       MET1021   3.654  16.223  -2.924
  837   1HG   MET1021          HG1       MET1021   1.559  16.511  -4.219
  838   2HG   MET1021          HG2       MET1021   0.883  15.140  -3.340
  839   1HE   MET1021          HE1       MET1021  -0.584  17.914  -3.421
  840   2HE   MET1021          HE2       MET1021  -1.176  16.541  -2.488
  841   3HE   MET1021          HE3       MET1021  -1.032  18.128  -1.729
  842    H    LEU1022           H        LEU1022   2.213  15.292  -6.353
  843    HA   LEU1022           HA       LEU1022   0.081  13.405  -6.213
  844   1HB   LEU1022          HB1       LEU1022   1.022  15.131  -8.505
  845   2HB   LEU1022          HB2       LEU1022  -0.466  14.206  -8.496
  846    HG   LEU1022           HG       LEU1022   0.189  16.497  -6.638
  847   1HD1  LEU1022          1HD1      LEU1022  -1.721  16.299  -8.964
  848   2HD1  LEU1022          2HD1      LEU1022  -1.588  17.669  -7.862
  849   3HD1  LEU1022          3HD1      LEU1022  -0.235  17.246  -8.911
  850   1HD2  LEU1022          1HD2      LEU1022  -2.330  14.862  -6.931
  851   2HD2  LEU1022          2HD2      LEU1022  -1.220  14.819  -5.561
  852   3HD2  LEU1022          3HD2      LEU1022  -2.138  16.285  -5.907
  853    H    THR1023           H        THR1023   3.098  13.616  -8.052
  854    HA   THR1023           HA       THR1023   2.882  11.221  -9.483
  855    HB   THR1023           HB       THR1023   5.356  12.509  -8.300
  856    HG1  THR1023           HG1      THR1023   3.800  12.966 -10.566
  857   1HG2  THR1023          1HG2      THR1023   6.613  11.238  -9.960
  858   2HG2  THR1023          2HG2      THR1023   5.742  10.150  -8.878
  859   3HG2  THR1023          3HG2      THR1023   5.129  10.455 -10.504
  860    H    ALA1024           H        ALA1024   4.025  11.880  -6.220
  861    HA   ALA1024           HA       ALA1024   4.722   9.241  -5.526
  862   1HB   ALA1024          HB1       ALA1024   4.680   9.994  -3.234
  863   2HB   ALA1024          HB2       ALA1024   5.422  11.225  -4.257
  864   3HB   ALA1024          HB3       ALA1024   3.764  11.428  -3.694
  865    H    ALA1025           H        ALA1025   1.664  11.012  -5.269
  866    HA   ALA1025           HA       ALA1025   0.198   9.039  -3.907
  867   1HB   ALA1025          HB1       ALA1025  -0.589  11.347  -4.209
  868   2HB   ALA1025          HB2       ALA1025  -0.829  11.034  -5.927
  869   3HB   ALA1025          HB3       ALA1025  -1.793  10.168  -4.731
  870    H    HIS1026           H        HIS1026   0.815   9.559  -7.334
  871    HA   HIS1026           HA       HIS1026  -0.706   7.355  -8.283
  872   1HB   HIS1026          HB1       HIS1026   0.151   9.315  -9.649
  873   2HB   HIS1026          HB2       HIS1026   1.747   8.585  -9.572
  874    HD1  HIS1026           HD1      HIS1026   0.166   9.123 -12.235
  875    HD2  HIS1026           HD2      HIS1026   0.376   5.468 -10.257
  876    HE1  HIS1026           HE1      HIS1026  -0.298   7.378 -13.981
  877    HE2  HIS1026           HE2      HIS1026   0.066   5.179 -12.811
  878    H    ALA1027           H        ALA1027   2.606   7.788  -7.217
  879    HA   ALA1027           HA       ALA1027   3.645   5.310  -8.036
  880   1HB   ALA1027          HB1       ALA1027   5.493   5.795  -6.540
  881   2HB   ALA1027          HB2       ALA1027   5.031   7.237  -7.444
  882   3HB   ALA1027          HB3       ALA1027   4.548   7.061  -5.756
  883    H    LEU1028           H        LEU1028   2.501   6.358  -4.832
  884    HA   LEU1028           HA       LEU1028   2.779   3.860  -3.588
  885   1HB   LEU1028          HB1       LEU1028   2.520   5.516  -2.052
  886   2HB   LEU1028          HB2       LEU1028   1.319   6.367  -2.984
  887    HG   LEU1028           HG       LEU1028   0.569   3.758  -1.709
  888   1HD1  LEU1028          1HD1      LEU1028   1.709   5.016   0.050
  889   2HD1  LEU1028          2HD1      LEU1028   0.689   6.413  -0.288
  890   3HD1  LEU1028          3HD1      LEU1028  -0.028   4.931   0.342
  891   1HD2  LEU1028          1HD2      LEU1028  -1.019   4.894  -3.198
  892   2HD2  LEU1028          2HD2      LEU1028  -1.608   4.840  -1.536
  893   3HD2  LEU1028          3HD2      LEU1028  -0.932   6.335  -2.184
  894    H    ALA1029           H        ALA1029  -0.144   5.298  -5.080
  895    HA   ALA1029           HA       ALA1029  -1.811   3.179  -4.907
  896   1HB   ALA1029          HB1       ALA1029  -1.466   4.900  -7.360
  897   2HB   ALA1029          HB2       ALA1029  -2.887   3.929  -6.968
  898   3HB   ALA1029          HB3       ALA1029  -2.438   5.295  -5.945
  899    H    VAL1030           H        VAL1030   1.019   3.373  -6.979
  900    HA   VAL1030           HA       VAL1030   0.422   1.006  -8.465
  901    HB   VAL1030           HB       VAL1030   3.071   2.384  -7.996
  902   1HG1  VAL1030          1HG1      VAL1030   2.382   0.172  -9.929
  903   2HG1  VAL1030          2HG1      VAL1030   3.908   1.054  -9.881
  904   3HG1  VAL1030          3HG1      VAL1030   3.435   0.035  -8.521
  905   1HG2  VAL1030          1HG2      VAL1030   2.778   3.182 -10.300
  906   2HG2  VAL1030          2HG2      VAL1030   1.193   2.410 -10.356
  907   3HG2  VAL1030          3HG2      VAL1030   1.486   3.744  -9.240
  908    H    ASP1031           H        ASP1031   2.468   1.659  -5.602
  909    HA   ASP1031           HA       ASP1031   3.218  -1.045  -5.289
  910   1HB   ASP1031          HB1       ASP1031   4.040  -0.513  -3.101
  911   2HB   ASP1031          HB2       ASP1031   4.421   0.813  -4.173
  912    H    ALA1032           H        ALA1032   0.666   0.767  -3.533
  913    HA   ALA1032           HA       ALA1032  -0.690  -1.256  -2.355
  914   1HB   ALA1032          HB1       ALA1032  -1.328   1.091  -2.216
  915   2HB   ALA1032          HB2       ALA1032  -1.920   1.037  -3.877
  916   3HB   ALA1032          HB3       ALA1032  -2.716   0.083  -2.626
  917    H    LYS1033           H        LYS1033  -0.446  -0.742  -5.776
  918    HA   LYS1033           HA       LYS1033  -2.795  -2.374  -6.346
  919   1HB   LYS1033          HB1       LYS1033  -2.201  -0.392  -7.784
  920   2HB   LYS1033          HB2       LYS1033  -0.787  -1.284  -8.330
  921   1HG   LYS1033          HG1       LYS1033  -2.326  -3.077  -9.132
  922   2HG   LYS1033          HG2       LYS1033  -3.674  -2.008  -8.745
  923   1HD   LYS1033          HD1       LYS1033  -3.168  -1.817 -11.089
  924   2HD   LYS1033          HD2       LYS1033  -2.715  -0.314 -10.281
  925   1HE   LYS1033          HE1       LYS1033  -0.402  -0.923 -10.305
  926   2HE   LYS1033          HE2       LYS1033  -0.780  -2.544 -10.885
  927   1HZ   LYS1033          HZ1       LYS1033  -1.550  -1.608 -12.956
  928   2HZ   LYS1033          HZ2       LYS1033  -1.258  -0.032 -12.402
  929   3HZ   LYS1033          HZ3       LYS1033   0.038  -1.102 -12.652
  930    H    ASN1034           H        ASN1034   0.703  -2.460  -6.807
  931    HA   ASN1034           HA       ASN1034   0.800  -4.966  -8.061
  932   1HB   ASN1034          HB1       ASN1034   2.634  -3.094  -7.725
  933   2HB   ASN1034          HB2       ASN1034   3.058  -4.066  -6.317
  934   1HD2  ASN1034          2HD2      ASN1034   3.815  -6.197  -6.644
  935   2HD2  ASN1034          1HD2      ASN1034   4.427  -6.716  -8.174
  936    H    LEU1035           H        LEU1035   1.173  -4.062  -4.624
  937    HA   LEU1035           HA       LEU1035   1.699  -6.733  -3.791
  938   1HB   LEU1035          HB1       LEU1035   2.396  -4.857  -2.411
  939   2HB   LEU1035          HB2       LEU1035   0.711  -4.399  -2.149
  940    HG   LEU1035           HG       LEU1035   0.499  -6.829  -1.192
  941   1HD1  LEU1035          1HD1      LEU1035   2.547  -7.590  -0.088
  942   2HD1  LEU1035          2HD1      LEU1035   2.690  -7.599  -1.846
  943   3HD1  LEU1035          3HD1      LEU1035   3.450  -6.314  -0.907
  944   1HD2  LEU1035          1HD2      LEU1035   0.166  -4.796   0.092
  945   2HD2  LEU1035          2HD2      LEU1035   1.045  -6.006   1.028
  946   3HD2  LEU1035          3HD2      LEU1035   1.908  -4.642   0.315
  947    H    LEU1036           H        LEU1036  -1.309  -4.915  -4.130
  948    HA   LEU1036           HA       LEU1036  -3.007  -6.644  -2.766
  949   1HB   LEU1036          HB1       LEU1036  -4.396  -4.990  -3.242
  950   2HB   LEU1036          HB2       LEU1036  -3.277  -4.321  -4.404
  951    HG   LEU1036           HG       LEU1036  -5.473  -4.496  -5.354
  952   1HD1  LEU1036          1HD1      LEU1036  -5.111  -5.833  -7.349
  953   2HD1  LEU1036          2HD1      LEU1036  -3.691  -4.875  -6.928
  954   3HD1  LEU1036          3HD1      LEU1036  -3.723  -6.604  -6.581
  955   1HD2  LEU1036          1HD2      LEU1036  -6.410  -6.204  -3.956
  956   2HD2  LEU1036          2HD2      LEU1036  -6.633  -6.619  -5.656
  957   3HD2  LEU1036          3HD2      LEU1036  -5.382  -7.425  -4.707
  958    H    ASP1037           H        ASP1037  -1.441  -6.899  -5.749
  959    HA   ASP1037           HA       ASP1037  -2.961  -9.251  -6.581
  960   1HB   ASP1037          HB1       ASP1037  -2.266  -7.458  -8.228
  961   2HB   ASP1037          HB2       ASP1037  -0.598  -7.935  -7.944
  962    H    VAL1038           H        VAL1038   0.135  -8.208  -5.367
  963    HA   VAL1038           HA       VAL1038   1.612 -10.581  -5.578
  964    HB   VAL1038           HB       VAL1038   1.823  -8.191  -3.791
  965   1HG1  VAL1038          1HG1      VAL1038   4.003  -9.008  -3.022
  966   2HG1  VAL1038          2HG1      VAL1038   2.677 -10.029  -2.470
  967   3HG1  VAL1038          3HG1      VAL1038   3.689 -10.552  -3.815
  968   1HG2  VAL1038          1HG2      VAL1038   3.841  -7.779  -5.129
  969   2HG2  VAL1038          2HG2      VAL1038   3.510  -9.245  -6.051
  970   3HG2  VAL1038          3HG2      VAL1038   2.391  -7.884  -6.126
  971    H    ILE1039           H        ILE1039  -0.115  -9.298  -2.722
  972    HA   ILE1039           HA       ILE1039   0.372 -11.757  -1.297
  973    HB   ILE1039           HB       ILE1039  -1.033 -10.707   0.516
  974   1HG1  ILE1039          1HG1      ILE1039  -0.828  -8.352  -1.361
  975   2HG1  ILE1039          2HG1      ILE1039  -2.290  -9.060  -0.679
  976   1HG2  ILE1039          1HG2      ILE1039   1.395 -10.785   0.533
  977   2HG2  ILE1039          2HG2      ILE1039   1.464  -9.292  -0.403
  978   3HG2  ILE1039          3HG2      ILE1039   0.810  -9.277   1.235
  979   1HD1  ILE1039          1HD1      ILE1039  -0.154  -7.589   0.845
  980   2HD1  ILE1039          2HD1      ILE1039  -1.751  -6.976   0.418
  981   3HD1  ILE1039          3HD1      ILE1039  -1.596  -8.323   1.546
  982    H    ASP1040           H        ASP1040  -2.659 -10.222  -2.704
  983    HA   ASP1040           HA       ASP1040  -4.159 -12.471  -2.556
  984   1HB   ASP1040          HB1       ASP1040  -4.906 -10.547  -3.856
  985   2HB   ASP1040          HB2       ASP1040  -3.712 -10.903  -5.102
  986    H    GLN1041           H        GLN1041  -1.169 -12.191  -4.399
  987    HA   GLN1041           HA       GLN1041  -1.531 -14.919  -5.299
  988   1HB   GLN1041          HB1       GLN1041   0.864 -13.089  -5.507
  989   2HB   GLN1041          HB2       GLN1041   0.896 -14.773  -6.009
  990   1HG   GLN1041          HG1       GLN1041  -0.888 -14.309  -7.632
  991   2HG   GLN1041          HG2       GLN1041  -0.875 -12.615  -7.139
  992   1HE2  GLN1041          2HE2      GLN1041   0.746 -15.098  -8.906
  993   2HE2  GLN1041          1HE2      GLN1041   1.918 -14.082  -9.669
  994    H    ALA1042           H        ALA1042  -0.065 -13.211  -2.642
  995    HA   ALA1042           HA       ALA1042   1.512 -15.191  -1.572
  996   1HB   ALA1042          HB1       ALA1042  -0.244 -13.301  -0.026
  997   2HB   ALA1042          HB2       ALA1042   1.145 -14.187   0.605
  998   3HB   ALA1042          HB3       ALA1042   1.377 -12.947  -0.627
  999    H    ARG1043           H        ARG1043  -1.955 -14.619  -0.839
 1000    HA   ARG1043           HA       ARG1043  -2.224 -16.993   0.598
 1001   1HB   ARG1043          HB1       ARG1043  -4.722 -16.785  -0.109
 1002   2HB   ARG1043          HB2       ARG1043  -4.010 -15.696   1.058
 1003   1HG   ARG1043          HG1       ARG1043  -5.351 -14.379  -0.289
 1004   2HG   ARG1043          HG2       ARG1043  -3.717 -14.088  -0.871
 1005   1HD   ARG1043          HD1       ARG1043  -5.694 -14.491  -2.523
 1006   2HD   ARG1043          HD2       ARG1043  -4.090 -15.125  -2.848
 1007    HE   ARG1043           HE       ARG1043  -5.477 -17.121  -1.533
 1008   1HH1  ARG1043          2HH1      ARG1043  -5.772 -15.245  -4.470
 1009   2HH1  ARG1043          1HH1      ARG1043  -6.421 -16.562  -5.406
 1010   1HH2  ARG1043          2HH2      ARG1043  -6.272 -18.899  -2.797
 1011   2HH2  ARG1043          1HH2      ARG1043  -6.707 -18.637  -4.462
 1012    H    LEU1044           H        LEU1044  -2.466 -16.519  -2.903
 1013    HA   LEU1044           HA       LEU1044  -3.314 -19.255  -3.272
 1014   1HB   LEU1044          HB1       LEU1044  -4.051 -18.006  -5.010
 1015   2HB   LEU1044          HB2       LEU1044  -2.654 -16.982  -5.003
 1016    HG   LEU1044           HG       LEU1044  -1.397 -19.003  -6.001
 1017   1HD1  LEU1044          1HD1      LEU1044  -3.091 -20.683  -5.550
 1018   2HD1  LEU1044          2HD1      LEU1044  -4.250 -19.810  -6.553
 1019   3HD1  LEU1044          3HD1      LEU1044  -2.818 -20.534  -7.286
 1020   1HD2  LEU1044          1HD2      LEU1044  -1.952 -16.945  -7.222
 1021   2HD2  LEU1044          2HD2      LEU1044  -2.040 -18.377  -8.247
 1022   3HD2  LEU1044          3HD2      LEU1044  -3.520 -17.632  -7.640
 1023    H    LYS1045           H        LYS1045  -0.281 -17.568  -3.022
 1024    HA   LYS1045           HA       LYS1045   1.473 -19.649  -3.720
 1025   1HB   LYS1045          HB1       LYS1045   1.570 -17.189  -2.118
 1026   2HB   LYS1045          HB2       LYS1045   2.637 -18.447  -1.517
 1027   1HG   LYS1045          HG1       LYS1045   3.802 -16.957  -3.001
 1028   2HG   LYS1045          HG2       LYS1045   3.719 -18.578  -3.680
 1029   1HD   LYS1045          HD1       LYS1045   1.880 -17.879  -5.140
 1030   2HD   LYS1045          HD2       LYS1045   1.960 -16.252  -4.457
 1031   1HE   LYS1045          HE1       LYS1045   4.258 -16.034  -5.256
 1032   2HE   LYS1045          HE2       LYS1045   4.174 -17.656  -5.937
 1033   1HZ   LYS1045          HZ1       LYS1045   2.373 -16.883  -7.393
 1034   2HZ   LYS1045          HZ2       LYS1045   2.555 -15.313  -6.779
 1035   3HZ   LYS1045          HZ3       LYS1045   3.816 -16.028  -7.649
 1036    H    MET1046           H        MET1046  -0.351 -18.898  -0.830
 1037    HA   MET1046           HA       MET1046   0.541 -21.091   0.725
 1038   1HB   MET1046          HB1       MET1046  -0.652 -19.064   1.589
 1039   2HB   MET1046          HB2       MET1046  -2.126 -19.686   0.865
 1040   1HG   MET1046          HG1       MET1046  -1.902 -21.709   2.274
 1041   2HG   MET1046          HG2       MET1046  -0.504 -20.955   3.046
 1042   1HE   MET1046          HE1       MET1046  -2.941 -22.019   4.747
 1043   2HE   MET1046          HE2       MET1046  -1.558 -21.187   5.457
 1044   3HE   MET1046          HE3       MET1046  -3.197 -20.678   5.864
 1045    H    ILE1047           H        ILE1047  -2.078 -20.621  -1.587
 1046    HA   ILE1047           HA       ILE1047  -3.290 -23.152  -1.451
 1047    HB   ILE1047           HB       ILE1047  -2.949 -21.232  -3.760
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.363 -20.473  -1.902
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.306 -20.732  -3.367
 1050   1HG2  ILE1047          1HG2      ILE1047  -4.655 -22.505  -4.973
 1051   2HG2  ILE1047          2HG2      ILE1047  -3.197 -23.460  -4.701
 1052   3HG2  ILE1047          3HG2      ILE1047  -4.628 -23.736  -3.709
 1053   1HD1  ILE1047          1HD1      ILE1047  -6.044 -22.892  -2.489
 1054   2HD1  ILE1047          2HD1      ILE1047  -5.128 -22.593  -1.012
 1055   3HD1  ILE1047          3HD1      ILE1047  -6.488 -21.553  -1.433
 1056    H    SER1048           H        SER1048  -0.602 -21.936  -3.406
 1057    HA   SER1048           HA       SER1048   0.161 -24.133  -4.841
 1058   1HB   SER1048          HB1       SER1048   1.311 -22.013  -5.045
 1059   2HB   SER1048          HB2       SER1048   1.920 -22.136  -3.398
 1060    HG   SER1048           HG       SER1048   3.579 -23.047  -4.283
 1061    H    GLN1049           H        GLN1049   0.753 -23.584  -1.392
 1062    HA   GLN1049           HA       GLN1049   2.146 -26.135  -1.184
 1063   1HB   GLN1049          HB1       GLN1049   1.546 -24.012   0.880
 1064   2HB   GLN1049          HB2       GLN1049   2.418 -25.500   1.217
 1065   1HG   GLN1049          HG1       GLN1049   3.274 -23.306  -0.658
 1066   2HG   GLN1049          HG2       GLN1049   3.968 -23.679   0.921
 1067   1HE2  GLN1049          2HE2      GLN1049   3.740 -24.613  -2.401
 1068   2HE2  GLN1049          1HE2      GLN1049   4.999 -25.797  -2.382
 1069    H    SER1050           H        SER1050  -0.720 -24.587   0.265
 1070    HA   SER1050           HA       SER1050  -1.821 -27.277   0.689
 1071   1HB   SER1050          HB1       SER1050  -0.983 -26.333   2.832
 1072   2HB   SER1050          HB2       SER1050  -2.064 -24.958   2.624
 1073    HG   SER1050           HG       SER1050  -3.706 -26.133   3.236
 1074    H    ARG1051           H        ARG1051  -2.802 -26.728  -1.400
 1075    HA   ARG1051           HA       ARG1051  -4.803 -24.774  -1.647
 1076   1HB   ARG1051          HB1       ARG1051  -3.909 -25.753  -3.627
 1077   2HB   ARG1051          HB2       ARG1051  -4.346 -27.374  -3.103
 1078   1HG   ARG1051          HG1       ARG1051  -6.719 -26.794  -3.319
 1079   2HG   ARG1051          HG2       ARG1051  -6.262 -25.179  -3.866
 1080   1HD   ARG1051          HD1       ARG1051  -5.248 -26.042  -5.831
 1081   2HD   ARG1051          HD2       ARG1051  -5.369 -27.699  -5.242
 1082    HE   ARG1051           HE       ARG1051  -7.949 -26.901  -5.319
 1083   1HH1  ARG1051          2HH1      ARG1051  -5.361 -26.783  -7.680
 1084   2HH1  ARG1051          1HH1      ARG1051  -6.431 -26.978  -9.042
 1085   1HH2  ARG1051          2HH2      ARG1051  -9.343 -27.192  -7.093
 1086   2HH2  ARG1051          1HH2      ARG1051  -8.694 -27.236  -8.705
 1087    HA   PRO1052           HA       PRO1052  -8.077 -28.197  -0.748
 1088   1HB   PRO1052          HB1       PRO1052  -6.662 -30.318   0.716
 1089   2HB   PRO1052          HB2       PRO1052  -7.748 -30.443  -0.672
 1090   1HG   PRO1052          HG1       PRO1052  -5.109 -30.879  -0.907
 1091   2HG   PRO1052          HG2       PRO1052  -6.050 -30.111  -2.200
 1092   1HD   PRO1052          HD1       PRO1052  -4.271 -28.843  -0.145
 1093   2HD   PRO1052          HD2       PRO1052  -4.402 -28.503  -1.885
 1094    H    HIS1053           H        HIS1053  -5.599 -27.357   1.509
 1095    HA   HIS1053           HA       HIS1053  -7.583 -27.398   3.688
 1096   1HB   HIS1053          HB1       HIS1053  -4.587 -27.745   3.951
 1097   2HB   HIS1053          HB2       HIS1053  -5.740 -27.731   5.276
 1098    HD1  HIS1053           HD1      HIS1053  -3.725 -30.067   3.977
 1099    HD2  HIS1053           HD2      HIS1053  -7.879 -29.928   4.178
 1100    HE1  HIS1053           HE1      HIS1053  -4.498 -32.455   3.797
 1101    HE2  HIS1053           HE2      HIS1053  -6.999 -32.362   4.082
  Start of MODEL   17
    1   1H    ARG 920           H        ARG 920  -7.457 -19.838  -2.986
    2    HA   ARG 920           HA       ARG 920  -8.681 -19.849  -0.326
    3   1HB   ARG 920          HB1       ARG 920  -6.225 -19.690  -0.551
    4   2HB   ARG 920          HB2       ARG 920  -6.426 -18.199  -1.457
    5   1HG   ARG 920          HG1       ARG 920  -5.878 -17.474   0.642
    6   2HG   ARG 920          HG2       ARG 920  -7.644 -17.332   0.627
    7   1HD   ARG 920          HD1       ARG 920  -7.639 -19.669   1.673
    8   2HD   ARG 920          HD2       ARG 920  -5.916 -19.405   1.924
    9    HE   ARG 920           HE       ARG 920  -8.027 -17.724   3.118
   10   1HH1  ARG 920          2HH1      ARG 920  -4.846 -19.199   3.225
   11   2HH1  ARG 920          1HH1      ARG 920  -4.511 -18.660   4.834
   12   1HH2  ARG 920          2HH2      ARG 920  -7.595 -17.039   5.240
   13   2HH2  ARG 920          1HH2      ARG 920  -6.083 -17.442   6.001
   14    H    SER 921           H        SER 921  -9.961 -18.207   0.419
   15    HA   SER 921           HA       SER 921 -11.239 -16.596  -1.577
   16   1HB   SER 921          HB1       SER 921 -12.628 -15.882   0.471
   17   2HB   SER 921          HB2       SER 921 -12.703 -17.572  -0.029
   18    HG   SER 921           HG       SER 921 -12.263 -16.896   2.328
   19    H    ASN 922           H        ASN 922  -8.558 -15.866  -1.170
   20    HA   ASN 922           HA       ASN 922  -7.201 -14.055  -0.974
   21   1HB   ASN 922          HB1       ASN 922  -9.466 -12.188  -1.394
   22   2HB   ASN 922          HB2       ASN 922  -7.919 -12.280  -2.228
   23   1HD2  ASN 922          2HD2      ASN 922  -7.627 -13.784  -3.865
   24   2HD2  ASN 922          1HD2      ASN 922  -8.973 -14.510  -4.682
   25    H    ASP 923           H        ASP 923  -7.445 -14.735   1.326
   26    HA   ASP 923           HA       ASP 923  -8.884 -13.553   3.302
   27   1HB   ASP 923          HB1       ASP 923  -7.113 -14.291   4.821
   28   2HB   ASP 923          HB2       ASP 923  -7.465 -15.513   3.612
   29    H    LYS 924           H        LYS 924  -7.354 -12.503   5.163
   30    HA   LYS 924           HA       LYS 924  -7.573  -9.814   4.988
   31   1HB   LYS 924          HB1       LYS 924  -6.729 -11.571   6.873
   32   2HB   LYS 924          HB2       LYS 924  -5.228 -10.721   6.539
   33   1HG   LYS 924          HG1       LYS 924  -7.745  -9.217   7.143
   34   2HG   LYS 924          HG2       LYS 924  -6.746  -9.886   8.435
   35   1HD   LYS 924          HD1       LYS 924  -4.832  -8.616   7.623
   36   2HD   LYS 924          HD2       LYS 924  -5.806  -7.972   6.301
   37   1HE   LYS 924          HE1       LYS 924  -5.596  -6.358   8.112
   38   2HE   LYS 924          HE2       LYS 924  -7.273  -6.868   7.903
   39   1HZ   LYS 924          HZ1       LYS 924  -5.392  -7.880   9.977
   40   2HZ   LYS 924          HZ2       LYS 924  -6.656  -6.785  10.242
   41   3HZ   LYS 924          HZ3       LYS 924  -7.000  -8.382   9.784
   42    H    VAL 925           H        VAL 925  -5.334 -11.545   3.169
   43    HA   VAL 925           HA       VAL 925  -3.276  -9.577   2.947
   44    HB   VAL 925           HB       VAL 925  -2.769 -10.899   0.774
   45   1HG1  VAL 925          1HG1      VAL 925  -2.687 -12.281   3.466
   46   2HG1  VAL 925          2HG1      VAL 925  -1.724 -12.728   2.058
   47   3HG1  VAL 925          3HG1      VAL 925  -1.481 -11.162   2.830
   48   1HG2  VAL 925          1HG2      VAL 925  -3.702 -13.165   0.717
   49   2HG2  VAL 925          2HG2      VAL 925  -4.781 -12.748   2.048
   50   3HG2  VAL 925          3HG2      VAL 925  -4.939 -11.929   0.494
   51    H    TYR 926           H        TYR 926  -6.079 -10.572   0.882
   52    HA   TYR 926           HA       TYR 926  -5.348  -8.588  -1.135
   53   1HB   TYR 926          HB1       TYR 926  -6.318 -10.663  -1.859
   54   2HB   TYR 926          HB2       TYR 926  -7.657 -10.524  -0.732
   55    HD1  TYR 926           HD1      TYR 926  -9.630  -9.384  -1.308
   56    HD2  TYR 926           HD2      TYR 926  -6.242  -9.177  -3.868
   57    HE1  TYR 926           HE1      TYR 926 -11.030  -8.386  -3.070
   58    HE2  TYR 926           HE2      TYR 926  -7.624  -8.173  -5.636
   59    HH   TYR 926           HH       TYR 926 -10.061  -8.167  -6.271
   60    H    GLU 927           H        GLU 927  -7.423  -8.920   1.600
   61    HA   GLU 927           HA       GLU 927  -9.206  -6.766   1.056
   62   1HB   GLU 927          HB1       GLU 927  -8.596  -8.524   3.402
   63   2HB   GLU 927          HB2       GLU 927  -9.681  -7.163   3.582
   64   1HG   GLU 927          HG1       GLU 927 -10.013  -9.437   1.639
   65   2HG   GLU 927          HG2       GLU 927 -10.889  -9.240   3.156
   66    H    ASN 928           H        ASN 928  -6.466  -7.130   3.312
   67    HA   ASN 928           HA       ASN 928  -6.833  -4.497   4.348
   68   1HB   ASN 928          HB1       ASN 928  -5.912  -6.349   5.693
   69   2HB   ASN 928          HB2       ASN 928  -4.475  -6.346   4.680
   70   1HD2  ASN 928          2HD2      ASN 928  -3.205  -5.968   6.476
   71   2HD2  ASN 928          1HD2      ASN 928  -3.098  -4.402   7.210
   72    H    VAL 929           H        VAL 929  -4.764  -5.873   1.852
   73    HA   VAL 929           HA       VAL 929  -3.136  -3.574   1.576
   74    HB   VAL 929           HB       VAL 929  -2.576  -5.767   0.539
   75   1HG1  VAL 929          1HG1      VAL 929  -4.648  -5.030  -1.506
   76   2HG1  VAL 929          2HG1      VAL 929  -3.567  -6.419  -1.546
   77   3HG1  VAL 929          3HG1      VAL 929  -4.810  -6.310  -0.302
   78   1HG2  VAL 929          1HG2      VAL 929  -2.695  -3.394  -1.313
   79   2HG2  VAL 929          2HG2      VAL 929  -1.419  -3.763  -0.153
   80   3HG2  VAL 929          3HG2      VAL 929  -1.677  -4.816  -1.544
   81    H    THR 930           H        THR 930  -6.137  -4.542  -0.168
   82    HA   THR 930           HA       THR 930  -6.773  -2.218  -1.401
   83    HB   THR 930           HB       THR 930  -8.692  -3.898   0.236
   84    HG1  THR 930           HG1      THR 930  -8.023  -5.322  -1.221
   85   1HG2  THR 930          1HG2      THR 930 -10.401  -3.093  -1.335
   86   2HG2  THR 930          2HG2      THR 930  -9.677  -1.761  -0.434
   87   3HG2  THR 930          3HG2      THR 930  -9.200  -2.054  -2.106
   88    H    GLY 931           H        GLY 931  -6.736  -2.841   2.031
   89   1HA   GLY 931          HA1       GLY 931  -8.103  -0.567   2.960
   90   2HA   GLY 931          HA2       GLY 931  -6.867  -1.449   3.845
   91    H    LEU 932           H        LEU 932  -4.760  -0.992   1.839
   92    HA   LEU 932           HA       LEU 932  -3.861   1.576   2.669
   93   1HB   LEU 932          HB1       LEU 932  -2.621  -0.576   1.642
   94   2HB   LEU 932          HB2       LEU 932  -2.792   0.362   0.171
   95    HG   LEU 932           HG       LEU 932  -1.374   1.271   2.682
   96   1HD1  LEU 932          1HD1      LEU 932  -0.282   0.446  -0.002
   97   2HD1  LEU 932          2HD1      LEU 932   0.657   1.077   1.351
   98   3HD1  LEU 932          3HD1      LEU 932  -0.164  -0.476   1.497
   99   1HD2  LEU 932          1HD2      LEU 932  -0.626   3.169   1.356
  100   2HD2  LEU 932          2HD2      LEU 932  -1.591   2.610  -0.009
  101   3HD2  LEU 932          3HD2      LEU 932  -2.386   3.138   1.473
  102    H    VAL 933           H        VAL 933  -5.348   0.313  -0.262
  103    HA   VAL 933           HA       VAL 933  -5.368   2.702  -1.757
  104    HB   VAL 933           HB       VAL 933  -7.374   0.441  -1.910
  105   1HG1  VAL 933          1HG1      VAL 933  -8.080   2.424  -3.122
  106   2HG1  VAL 933          2HG1      VAL 933  -6.523   2.495  -3.949
  107   3HG1  VAL 933          3HG1      VAL 933  -7.622   1.149  -4.250
  108   1HG2  VAL 933          1HG2      VAL 933  -5.098  -0.424  -2.073
  109   2HG2  VAL 933          2HG2      VAL 933  -5.921  -0.520  -3.630
  110   3HG2  VAL 933          3HG2      VAL 933  -4.734   0.750  -3.339
  111    H    LYS 934           H        LYS 934  -7.455   1.434   0.725
  112    HA   LYS 934           HA       LYS 934  -9.586   3.314   0.326
  113   1HB   LYS 934          HB1       LYS 934  -8.967   1.716   2.819
  114   2HB   LYS 934          HB2       LYS 934 -10.492   2.485   2.420
  115   1HG   LYS 934          HG1       LYS 934  -9.259   0.186   0.918
  116   2HG   LYS 934          HG2       LYS 934 -10.532   0.045   2.126
  117   1HD   LYS 934          HD1       LYS 934 -11.746   0.012   0.166
  118   2HD   LYS 934          HD2       LYS 934 -11.800   1.726   0.578
  119   1HE   LYS 934          HE1       LYS 934  -9.979   2.175  -0.972
  120   2HE   LYS 934          HE2       LYS 934  -9.845   0.457  -1.345
  121   1HZ   LYS 934          HZ1       LYS 934 -12.194   2.193  -1.908
  122   2HZ   LYS 934          HZ2       LYS 934 -11.087   1.603  -3.053
  123   3HZ   LYS 934          HZ3       LYS 934 -12.105   0.528  -2.226
  124    H    ALA 935           H        ALA 935  -6.643   3.149   2.172
  125    HA   ALA 935           HA       ALA 935  -7.222   5.428   3.811
  126   1HB   ALA 935          HB1       ALA 935  -4.598   4.068   3.272
  127   2HB   ALA 935          HB2       ALA 935  -4.931   5.225   4.561
  128   3HB   ALA 935          HB3       ALA 935  -5.727   3.651   4.561
  129    H    VAL 936           H        VAL 936  -5.582   4.865   0.750
  130    HA   VAL 936           HA       VAL 936  -4.671   7.581   0.635
  131    HB   VAL 936           HB       VAL 936  -3.457   5.778  -0.524
  132   1HG1  VAL 936          1HG1      VAL 936  -5.797   5.792  -2.430
  133   2HG1  VAL 936          2HG1      VAL 936  -4.275   4.935  -2.673
  134   3HG1  VAL 936          3HG1      VAL 936  -5.344   4.477  -1.346
  135   1HG2  VAL 936          1HG2      VAL 936  -3.044   7.025  -2.624
  136   2HG2  VAL 936          2HG2      VAL 936  -4.447   8.029  -2.267
  137   3HG2  VAL 936          3HG2      VAL 936  -3.052   8.051  -1.189
  138    H    ILE 937           H        ILE 937  -7.603   5.951   0.029
  139    HA   ILE 937           HA       ILE 937  -8.848   8.025  -1.469
  140    HB   ILE 937           HB       ILE 937 -10.046   6.037   0.474
  141   1HG1  ILE 937          1HG1      ILE 937  -9.085   5.005  -1.516
  142   2HG1  ILE 937          2HG1      ILE 937 -10.841   4.910  -1.565
  143   1HG2  ILE 937          1HG2      ILE 937 -12.222   6.631  -0.482
  144   2HG2  ILE 937          2HG2      ILE 937 -11.469   8.006   0.327
  145   3HG2  ILE 937          3HG2      ILE 937 -11.454   7.902  -1.433
  146   1HD1  ILE 937          1HD1      ILE 937  -9.906   5.452  -3.745
  147   2HD1  ILE 937          2HD1      ILE 937 -10.906   6.772  -3.137
  148   3HD1  ILE 937          3HD1      ILE 937  -9.146   6.893  -3.071
  149    H    GLU 938           H        GLU 938  -8.333   7.375   1.968
  150    HA   GLU 938           HA       GLU 938  -9.555   9.669   3.042
  151   1HB   GLU 938          HB1       GLU 938  -7.077   8.209   4.024
  152   2HB   GLU 938          HB2       GLU 938  -8.036   9.344   4.968
  153   1HG   GLU 938          HG1       GLU 938  -9.985   7.847   4.770
  154   2HG   GLU 938          HG2       GLU 938  -8.988   6.699   3.880
  155    H    MET 939           H        MET 939  -6.284   9.037   1.967
  156    HA   MET 939           HA       MET 939  -5.146  11.546   2.335
  157   1HB   MET 939          HB1       MET 939  -3.840   9.588   1.656
  158   2HB   MET 939          HB2       MET 939  -4.615   9.609   0.077
  159   1HG   MET 939          HG1       MET 939  -3.642  11.812  -0.357
  160   2HG   MET 939          HG2       MET 939  -2.836  11.750   1.209
  161   1HE   MET 939          HE1       MET 939  -1.224  12.356  -1.370
  162   2HE   MET 939          HE2       MET 939  -0.475  12.158   0.215
  163   3HE   MET 939          HE3       MET 939   0.171  11.295  -1.180
  164    H    SER 940           H        SER 940  -6.923  10.329  -0.497
  165    HA   SER 940           HA       SER 940  -6.759  12.723  -1.985
  166   1HB   SER 940          HB1       SER 940  -7.358  10.451  -2.900
  167   2HB   SER 940          HB2       SER 940  -8.945  10.636  -2.154
  168    HG   SER 940           HG       SER 940  -9.468  11.646  -3.923
  169    H    SER 941           H        SER 941  -8.950  11.611   0.530
  170    HA   SER 941           HA       SER 941 -10.939  13.637  -0.002
  171   1HB   SER 941          HB1       SER 941 -10.569  11.847   2.418
  172   2HB   SER 941          HB2       SER 941 -11.999  12.817   2.064
  173    HG   SER 941           HG       SER 941 -10.976  10.648   0.529
  174    H    LYS 942           H        LYS 942  -8.154  13.198   1.934
  175    HA   LYS 942           HA       LYS 942  -8.430  15.411   3.666
  176   1HB   LYS 942          HB1       LYS 942  -6.278  13.562   2.793
  177   2HB   LYS 942          HB2       LYS 942  -5.787  15.074   3.541
  178   1HG   LYS 942          HG1       LYS 942  -7.793  13.286   4.846
  179   2HG   LYS 942          HG2       LYS 942  -6.052  13.016   5.022
  180   1HD   LYS 942          HD1       LYS 942  -5.774  15.293   5.815
  181   2HD   LYS 942          HD2       LYS 942  -7.511  15.571   5.643
  182   1HE   LYS 942          HE1       LYS 942  -6.187  13.570   7.482
  183   2HE   LYS 942          HE2       LYS 942  -6.939  15.086   7.969
  184   1HZ   LYS 942          HZ1       LYS 942  -9.068  14.269   7.272
  185   2HZ   LYS 942          HZ2       LYS 942  -8.382  12.847   6.658
  186   3HZ   LYS 942          HZ3       LYS 942  -8.374  13.138   8.328
  187    H    ILE 943           H        ILE 943  -6.404  14.928   0.793
  188    HA   ILE 943           HA       ILE 943  -5.197  17.418   0.989
  189    HB   ILE 943           HB       ILE 943  -4.242  15.496  -0.214
  190   1HG1  ILE 943          1HG1      ILE 943  -3.683  18.009  -0.749
  191   2HG1  ILE 943          2HG1      ILE 943  -2.992  16.714  -1.715
  192   1HG2  ILE 943          1HG2      ILE 943  -4.954  14.949  -2.495
  193   2HG2  ILE 943          2HG2      ILE 943  -6.221  14.654  -1.306
  194   3HG2  ILE 943          3HG2      ILE 943  -6.296  16.083  -2.337
  195   1HD1  ILE 943          1HD1      ILE 943  -5.379  18.393  -2.461
  196   2HD1  ILE 943          2HD1      ILE 943  -3.745  18.553  -3.105
  197   3HD1  ILE 943          3HD1      ILE 943  -4.684  17.097  -3.435
  198    H    GLN 944           H        GLN 944  -8.190  16.512  -0.630
  199    HA   GLN 944           HA       GLN 944  -8.199  18.809  -2.328
  200   1HB   GLN 944          HB1       GLN 944 -10.365  16.823  -1.665
  201   2HB   GLN 944          HB2       GLN 944 -10.572  18.136  -2.815
  202   1HG   GLN 944          HG1       GLN 944  -8.810  17.242  -4.204
  203   2HG   GLN 944          HG2       GLN 944  -8.478  15.987  -3.020
  204   1HE2  GLN 944          2HE2      GLN 944  -9.777  14.241  -2.894
  205   2HE2  GLN 944          1HE2      GLN 944 -10.999  13.867  -4.066
  206    HA   PRO 945           HA       PRO 945 -11.158  20.936   0.573
  207   1HB   PRO 945          HB1       PRO 945 -12.611  19.732   2.457
  208   2HB   PRO 945          HB2       PRO 945 -13.017  19.596   0.742
  209   1HG   PRO 945          HG1       PRO 945 -11.691  17.629   2.535
  210   2HG   PRO 945          HG2       PRO 945 -12.836  17.354   1.210
  211   1HD   PRO 945          HD1       PRO 945 -10.050  17.095   1.067
  212   2HD   PRO 945          HD2       PRO 945 -11.163  17.186  -0.310
  213    H    ALA 946           H        ALA 946  -8.515  19.453   1.750
  214    HA   ALA 946           HA       ALA 946  -8.611  21.120   4.180
  215   1HB   ALA 946          HB1       ALA 946  -7.196  18.468   3.917
  216   2HB   ALA 946          HB2       ALA 946  -7.192  19.513   5.338
  217   3HB   ALA 946          HB3       ALA 946  -8.693  18.758   4.803
  218    HA   PRO 947           HA       PRO 947  -4.984  23.059   2.615
  219   1HB   PRO 947          HB1       PRO 947  -4.113  23.832   5.250
  220   2HB   PRO 947          HB2       PRO 947  -4.994  24.795   4.064
  221   1HG   PRO 947          HG1       PRO 947  -6.045  23.956   6.456
  222   2HG   PRO 947          HG2       PRO 947  -7.018  24.342   5.026
  223   1HD   PRO 947          HD1       PRO 947  -6.127  21.677   6.054
  224   2HD   PRO 947          HD2       PRO 947  -7.703  22.158   5.383
  225    HA   PRO 948           HA       PRO 948  -1.110  20.973   2.768
  226   1HB   PRO 948          HB1       PRO 948   0.143  23.278   4.177
  227   2HB   PRO 948          HB2       PRO 948   0.681  22.418   2.728
  228   1HG   PRO 948          HG1       PRO 948  -0.487  24.778   2.491
  229   2HG   PRO 948          HG2       PRO 948  -0.895  23.468   1.365
  230   1HD   PRO 948          HD1       PRO 948  -2.450  24.522   3.689
  231   2HD   PRO 948          HD2       PRO 948  -3.028  23.958   2.108
  232    H    GLU 949           H        GLU 949  -1.841  22.513   5.847
  233    HA   GLU 949           HA       GLU 949  -0.177  20.992   7.462
  234   1HB   GLU 949          HB1       GLU 949  -2.137  21.259   9.154
  235   2HB   GLU 949          HB2       GLU 949  -1.211  22.653   8.627
  236   1HG   GLU 949          HG1       GLU 949  -3.631  21.989   7.079
  237   2HG   GLU 949          HG2       GLU 949  -3.861  22.629   8.708
  238    H    GLU 950           H        GLU 950  -3.223  20.128   5.942
  239    HA   GLU 950           HA       GLU 950  -3.187  17.545   7.278
  240   1HB   GLU 950          HB1       GLU 950  -5.165  18.958   5.562
  241   2HB   GLU 950          HB2       GLU 950  -5.196  17.198   5.617
  242   1HG   GLU 950          HG1       GLU 950  -6.756  18.219   7.206
  243   2HG   GLU 950          HG2       GLU 950  -5.535  17.231   7.998
  244    H    TYR 951           H        TYR 951  -1.671  18.856   4.634
  245    HA   TYR 951           HA       TYR 951  -1.830  16.683   2.816
  246   1HB   TYR 951          HB1       TYR 951   0.327  18.757   3.247
  247   2HB   TYR 951          HB2       TYR 951   0.420  17.531   1.989
  248    HD1  TYR 951           HD1      TYR 951   0.682  20.058   0.962
  249    HD2  TYR 951           HD2      TYR 951  -2.938  18.183   2.164
  250    HE1  TYR 951           HE1      TYR 951  -0.567  21.523  -0.556
  251    HE2  TYR 951           HE2      TYR 951  -4.206  19.640   0.645
  252    HH   TYR 951           HH       TYR 951  -3.917  21.884  -0.432
  253    H    VAL 952           H        VAL 952   0.099  17.375   5.668
  254    HA   VAL 952           HA       VAL 952   1.515  14.909   5.339
  255    HB   VAL 952           HB       VAL 952   2.911  16.231   6.497
  256   1HG1  VAL 952          1HG1      VAL 952   2.283  17.744   8.349
  257   2HG1  VAL 952          2HG1      VAL 952   1.463  18.116   6.834
  258   3HG1  VAL 952          3HG1      VAL 952   0.597  17.282   8.123
  259   1HG2  VAL 952          1HG2      VAL 952   1.434  14.888   8.768
  260   2HG2  VAL 952          2HG2      VAL 952   2.690  14.159   7.766
  261   3HG2  VAL 952          3HG2      VAL 952   3.083  15.510   8.828
  262    HA   PRO 953           HA       PRO 953  -1.748  13.205   8.678
  263   1HB   PRO 953          HB1       PRO 953  -3.900  15.032   7.726
  264   2HB   PRO 953          HB2       PRO 953  -3.700  14.250   9.303
  265   1HG   PRO 953          HG1       PRO 953  -3.077  16.802   9.018
  266   2HG   PRO 953          HG2       PRO 953  -2.040  15.727   9.976
  267   1HD   PRO 953          HD1       PRO 953  -1.617  16.821   7.235
  268   2HD   PRO 953          HD2       PRO 953  -0.435  16.500   8.517
  269    H    MET 954           H        MET 954  -2.507  14.444   5.403
  270    HA   MET 954           HA       MET 954  -4.378  12.409   4.806
  271   1HB   MET 954          HB1       MET 954  -4.204  13.024   2.505
  272   2HB   MET 954          HB2       MET 954  -4.092  14.501   3.446
  273   1HG   MET 954          HG1       MET 954  -1.714  14.569   3.130
  274   2HG   MET 954          HG2       MET 954  -1.751  13.022   2.285
  275   1HE   MET 954          HE1       MET 954  -0.377  15.692   1.200
  276   2HE   MET 954          HE2       MET 954  -0.352  14.163   0.319
  277   3HE   MET 954          HE3       MET 954  -0.856  15.643  -0.498
  278    H    VAL 955           H        VAL 955  -0.904  12.680   4.310
  279    HA   VAL 955           HA       VAL 955  -0.708  10.044   3.221
  280    HB   VAL 955           HB       VAL 955   1.448  11.851   4.360
  281   1HG1  VAL 955          1HG1      VAL 955   2.108   9.510   4.567
  282   2HG1  VAL 955          2HG1      VAL 955   1.731   9.246   2.865
  283   3HG1  VAL 955          3HG1      VAL 955   3.050  10.324   3.317
  284   1HG2  VAL 955          1HG2      VAL 955   0.727  11.144   1.516
  285   2HG2  VAL 955          2HG2      VAL 955   0.363  12.674   2.317
  286   3HG2  VAL 955          3HG2      VAL 955   2.039  12.205   2.025
  287    H    LYS 956           H        LYS 956  -0.767  11.423   6.394
  288    HA   LYS 956           HA       LYS 956   0.327   9.348   7.907
  289   1HB   LYS 956          HB1       LYS 956  -0.467  11.518   8.821
  290   2HB   LYS 956          HB2       LYS 956  -2.122  11.025   8.524
  291   1HG   LYS 956          HG1       LYS 956  -0.305   9.497  10.355
  292   2HG   LYS 956          HG2       LYS 956  -1.261  10.874  10.900
  293   1HD   LYS 956          HD1       LYS 956  -3.271   9.635   9.910
  294   2HD   LYS 956          HD2       LYS 956  -2.215   8.223   9.856
  295   1HE   LYS 956          HE1       LYS 956  -3.400   8.077  11.888
  296   2HE   LYS 956          HE2       LYS 956  -1.773   8.616  12.306
  297   1HZ   LYS 956          HZ1       LYS 956  -4.136  10.392  12.002
  298   2HZ   LYS 956          HZ2       LYS 956  -3.500   9.856  13.481
  299   3HZ   LYS 956          HZ3       LYS 956  -2.580  10.871  12.480
  300    H    GLU 957           H        GLU 957  -2.974   9.783   6.661
  301    HA   GLU 957           HA       GLU 957  -4.126   7.437   7.446
  302   1HB   GLU 957          HB1       GLU 957  -4.572   8.686   4.728
  303   2HB   GLU 957          HB2       GLU 957  -5.728   7.785   5.696
  304   1HG   GLU 957          HG1       GLU 957  -4.556  10.432   6.516
  305   2HG   GLU 957          HG2       GLU 957  -6.076  10.253   5.645
  306    H    VAL 958           H        VAL 958  -2.270   7.932   4.378
  307    HA   VAL 958           HA       VAL 958  -2.556   5.185   3.632
  308    HB   VAL 958           HB       VAL 958  -1.164   5.607   1.767
  309   1HG1  VAL 958          1HG1      VAL 958  -2.117   7.648   0.819
  310   2HG1  VAL 958          2HG1      VAL 958  -3.327   6.683   1.665
  311   3HG1  VAL 958          3HG1      VAL 958  -2.667   8.132   2.424
  312   1HG2  VAL 958          1HG2      VAL 958   0.735   6.634   2.885
  313   2HG2  VAL 958          2HG2      VAL 958   0.218   7.615   1.514
  314   3HG2  VAL 958          3HG2      VAL 958  -0.196   8.106   3.158
  315    H    GLY 959           H        GLY 959  -0.171   6.915   5.534
  316   1HA   GLY 959          HA1       GLY 959   1.874   4.923   5.319
  317   2HA   GLY 959          HA2       GLY 959   1.795   6.203   6.522
  318    H    LEU 960           H        LEU 960  -0.507   5.695   7.767
  319    HA   LEU 960           HA       LEU 960  -0.042   3.464   9.429
  320   1HB   LEU 960          HB1       LEU 960  -2.344   5.313   9.043
  321   2HB   LEU 960          HB2       LEU 960  -2.646   3.805   9.885
  322    HG   LEU 960           HG       LEU 960  -2.199   5.601  11.468
  323   1HD1  LEU 960          1HD1      LEU 960  -1.514   3.325  12.040
  324   2HD1  LEU 960          2HD1      LEU 960   0.072   3.622  11.327
  325   3HD1  LEU 960          3HD1      LEU 960  -0.435   4.523  12.754
  326   1HD2  LEU 960          1HD2      LEU 960  -0.796   7.013  10.049
  327   2HD2  LEU 960          2HD2      LEU 960  -0.005   6.669  11.588
  328   3HD2  LEU 960          3HD2      LEU 960   0.496   5.817  10.126
  329    H    ALA 961           H        ALA 961  -2.234   3.859   6.662
  330    HA   ALA 961           HA       ALA 961  -3.253   1.366   6.412
  331   1HB   ALA 961          HB1       ALA 961  -2.064   2.946   4.146
  332   2HB   ALA 961          HB2       ALA 961  -3.284   1.678   4.019
  333   3HB   ALA 961          HB3       ALA 961  -3.667   3.189   4.842
  334    H    LEU 962           H        LEU 962  -0.013   2.248   5.032
  335    HA   LEU 962           HA       LEU 962   0.549  -0.431   4.343
  336   1HB   LEU 962          HB1       LEU 962   1.622   1.367   3.183
  337   2HB   LEU 962          HB2       LEU 962   2.322   1.987   4.666
  338    HG   LEU 962           HG       LEU 962   3.869   0.798   3.023
  339   1HD1  LEU 962          1HD1      LEU 962   3.794  -0.159   5.880
  340   2HD1  LEU 962          2HD1      LEU 962   5.178  -0.284   4.794
  341   3HD1  LEU 962          3HD1      LEU 962   4.581   1.302   5.280
  342   1HD2  LEU 962          1HD2      LEU 962   3.959  -1.640   3.176
  343   2HD2  LEU 962          2HD2      LEU 962   2.500  -1.631   4.164
  344   3HD2  LEU 962          3HD2      LEU 962   2.431  -1.081   2.490
  345    H    ARG 963           H        ARG 963   1.293   1.468   7.260
  346    HA   ARG 963           HA       ARG 963   2.785  -0.437   8.631
  347   1HB   ARG 963          HB1       ARG 963   0.875   1.671   9.545
  348   2HB   ARG 963          HB2       ARG 963   1.493   0.512  10.715
  349   1HG   ARG 963          HG1       ARG 963   3.118   2.389   9.012
  350   2HG   ARG 963          HG2       ARG 963   2.829   2.516  10.748
  351   1HD   ARG 963          HD1       ARG 963   4.383   0.366   9.307
  352   2HD   ARG 963          HD2       ARG 963   5.022   1.595  10.397
  353    HE   ARG 963           HE       ARG 963   3.187   0.222  11.902
  354   1HH1  ARG 963          2HH1      ARG 963   6.102  -0.600  10.138
  355   2HH1  ARG 963          1HH1      ARG 963   6.448  -2.004  11.102
  356   1HH2  ARG 963          2HH2      ARG 963   3.649  -1.600  13.185
  357   2HH2  ARG 963          1HH2      ARG 963   5.050  -2.571  12.843
  358    H    THR 964           H        THR 964  -0.775  -0.083   8.703
  359    HA   THR 964           HA       THR 964  -1.217  -2.475  10.146
  360    HB   THR 964           HB       THR 964  -3.119  -1.178   8.185
  361    HG1  THR 964           HG1      THR 964  -3.772   0.111   9.880
  362   1HG2  THR 964          1HG2      THR 964  -3.608  -2.920  10.606
  363   2HG2  THR 964          2HG2      THR 964  -4.857  -2.163   9.616
  364   3HG2  THR 964          3HG2      THR 964  -3.815  -3.406   8.922
  365    H    LEU 965           H        LEU 965  -1.255  -1.780   6.683
  366    HA   LEU 965           HA       LEU 965  -1.618  -4.270   5.631
  367   1HB   LEU 965          HB1       LEU 965  -1.326  -2.257   4.288
  368   2HB   LEU 965          HB2       LEU 965   0.384  -2.237   4.676
  369    HG   LEU 965           HG       LEU 965   0.772  -4.235   3.402
  370   1HD1  LEU 965          1HD1      LEU 965  -2.222  -4.327   3.025
  371   2HD1  LEU 965          2HD1      LEU 965  -1.061  -5.377   2.213
  372   3HD1  LEU 965          3HD1      LEU 965  -1.254  -5.460   3.965
  373   1HD2  LEU 965          1HD2      LEU 965   0.666  -2.122   2.169
  374   2HD2  LEU 965          2HD2      LEU 965   0.127  -3.478   1.179
  375   3HD2  LEU 965          3HD2      LEU 965  -1.056  -2.379   1.887
  376    H    LEU 966           H        LEU 966   1.473  -3.015   6.894
  377    HA   LEU 966           HA       LEU 966   3.033  -5.263   6.476
  378   1HB   LEU 966          HB1       LEU 966   3.166  -2.894   8.102
  379   2HB   LEU 966          HB2       LEU 966   3.786  -4.271   8.995
  380    HG   LEU 966           HG       LEU 966   4.746  -3.485   6.241
  381   1HD1  LEU 966          1HD1      LEU 966   6.749  -2.644   7.405
  382   2HD1  LEU 966          2HD1      LEU 966   5.300  -1.717   7.791
  383   3HD1  LEU 966          3HD1      LEU 966   5.933  -2.888   8.948
  384   1HD2  LEU 966          1HD2      LEU 966   6.608  -4.984   6.768
  385   2HD2  LEU 966          2HD2      LEU 966   5.846  -5.392   8.304
  386   3HD2  LEU 966          3HD2      LEU 966   5.066  -5.837   6.786
  387    H    ALA 967           H        ALA 967   0.555  -4.791   8.933
  388    HA   ALA 967           HA       ALA 967   1.134  -7.131  10.423
  389   1HB   ALA 967          HB1       ALA 967  -1.170  -7.016  11.207
  390   2HB   ALA 967          HB2       ALA 967  -0.425  -5.418  11.223
  391   3HB   ALA 967          HB3       ALA 967  -1.556  -5.852   9.941
  392    H    THR 968           H        THR 968  -0.944  -6.582   7.581
  393    HA   THR 968           HA       THR 968  -1.642  -9.255   7.097
  394    HB   THR 968           HB       THR 968  -1.367  -6.851   5.327
  395    HG1  THR 968           HG1      THR 968  -3.690  -8.318   5.352
  396   1HG2  THR 968          1HG2      THR 968  -2.205  -8.126   3.425
  397   2HG2  THR 968          2HG2      THR 968  -0.642  -8.754   3.948
  398   3HG2  THR 968          3HG2      THR 968  -2.123  -9.613   4.368
  399    H    VAL 969           H        VAL 969   1.189  -7.366   6.007
  400    HA   VAL 969           HA       VAL 969   2.486  -9.280   4.560
  401    HB   VAL 969           HB       VAL 969   3.677  -7.225   6.431
  402   1HG1  VAL 969          1HG1      VAL 969   5.739  -7.441   5.129
  403   2HG1  VAL 969          2HG1      VAL 969   5.330  -8.953   5.940
  404   3HG1  VAL 969          3HG1      VAL 969   5.023  -8.770   4.214
  405   1HG2  VAL 969          1HG2      VAL 969   3.110  -7.185   3.470
  406   2HG2  VAL 969          2HG2      VAL 969   2.300  -6.238   4.718
  407   3HG2  VAL 969          3HG2      VAL 969   3.996  -5.933   4.348
  408    H    ASP 970           H        ASP 970   2.146  -9.108   8.053
  409    HA   ASP 970           HA       ASP 970   4.084 -11.167   8.563
  410   1HB   ASP 970          HB1       ASP 970   3.578  -9.514  10.287
  411   2HB   ASP 970          HB2       ASP 970   1.895 -10.025  10.314
  412    H    GLU 971           H        GLU 971   0.703 -11.099   7.815
  413    HA   GLU 971           HA       GLU 971   0.178 -13.840   8.499
  414   1HB   GLU 971          HB1       GLU 971  -1.203 -12.200   6.362
  415   2HB   GLU 971          HB2       GLU 971  -1.846 -13.591   7.220
  416   1HG   GLU 971          HG1       GLU 971  -1.157 -10.992   8.554
  417   2HG   GLU 971          HG2       GLU 971  -2.758 -11.372   7.918
  418    H    SER 972           H        SER 972   0.984 -12.050   5.563
  419    HA   SER 972           HA       SER 972   1.231 -14.353   3.945
  420   1HB   SER 972          HB1       SER 972   0.682 -12.250   2.901
  421   2HB   SER 972          HB2       SER 972   2.155 -11.502   3.544
  422    HG   SER 972           HG       SER 972   3.173 -13.382   2.296
  423    H    LEU 973           H        LEU 973   3.308 -12.785   6.221
  424    HA   LEU 973           HA       LEU 973   5.841 -13.341   5.202
  425   1HB   LEU 973          HB1       LEU 973   5.158 -12.001   7.289
  426   2HB   LEU 973          HB2       LEU 973   5.170 -13.529   8.139
  427    HG   LEU 973           HG       LEU 973   7.224 -12.188   8.475
  428   1HD1  LEU 973          1HD1      LEU 973   7.332 -14.594   8.761
  429   2HD1  LEU 973          2HD1      LEU 973   7.671 -14.796   7.042
  430   3HD1  LEU 973          3HD1      LEU 973   8.838 -13.976   8.079
  431   1HD2  LEU 973          1HD2      LEU 973   7.673 -12.693   5.542
  432   2HD2  LEU 973          2HD2      LEU 973   7.348 -11.131   6.297
  433   3HD2  LEU 973          3HD2      LEU 973   8.843 -11.994   6.659
  434    HA   PRO 974           HA       PRO 974   5.750 -17.795   7.169
  435   1HB   PRO 974          HB1       PRO 974   3.124 -18.710   7.450
  436   2HB   PRO 974          HB2       PRO 974   4.228 -18.323   8.772
  437   1HG   PRO 974          HG1       PRO 974   2.036 -16.700   7.595
  438   2HG   PRO 974          HG2       PRO 974   2.606 -16.779   9.273
  439   1HD   PRO 974          HD1       PRO 974   3.185 -14.702   7.658
  440   2HD   PRO 974          HD2       PRO 974   4.325 -15.284   8.888
  441    H    VAL 975           H        VAL 975   3.232 -16.355   5.170
  442    HA   VAL 975           HA       VAL 975   3.186 -18.597   3.332
  443    HB   VAL 975           HB       VAL 975   2.259 -15.824   2.634
  444   1HG1  VAL 975          1HG1      VAL 975   0.650 -17.055   1.262
  445   2HG1  VAL 975          2HG1      VAL 975   2.313 -17.460   0.831
  446   3HG1  VAL 975          3HG1      VAL 975   1.355 -18.577   1.804
  447   1HG2  VAL 975          1HG2      VAL 975   0.735 -17.930   4.169
  448   2HG2  VAL 975          2HG2      VAL 975   1.313 -16.396   4.819
  449   3HG2  VAL 975          3HG2      VAL 975   0.073 -16.411   3.564
  450    H    LEU 976           H        LEU 976   5.358 -15.912   3.742
  451    HA   LEU 976           HA       LEU 976   6.433 -15.749   1.163
  452   1HB   LEU 976          HB1       LEU 976   7.637 -15.255   3.860
  453   2HB   LEU 976          HB2       LEU 976   8.682 -15.341   2.463
  454    HG   LEU 976           HG       LEU 976   7.399 -13.510   1.421
  455   1HD1  LEU 976          1HD1      LEU 976   5.992 -12.123   2.822
  456   2HD1  LEU 976          2HD1      LEU 976   5.320 -13.745   2.649
  457   3HD1  LEU 976          3HD1      LEU 976   6.144 -13.286   4.140
  458   1HD2  LEU 976          1HD2      LEU 976   9.509 -13.113   2.535
  459   2HD2  LEU 976          2HD2      LEU 976   8.406 -11.767   2.820
  460   3HD2  LEU 976          3HD2      LEU 976   8.687 -12.958   4.087
  461    HA   PRO 977           HA       PRO 977   9.563 -19.333   2.297
  462   1HB   PRO 977          HB1       PRO 977   8.053 -20.632   4.504
  463   2HB   PRO 977          HB2       PRO 977   9.798 -20.439   4.295
  464   1HG   PRO 977          HG1       PRO 977   8.478 -18.952   6.059
  465   2HG   PRO 977          HG2       PRO 977   9.784 -18.259   5.078
  466   1HD   PRO 977          HD1       PRO 977   6.824 -17.987   4.762
  467   2HD   PRO 977          HD2       PRO 977   8.098 -16.770   4.544
  468    H    ALA 978           H        ALA 978   6.105 -19.685   2.855
  469    HA   ALA 978           HA       ALA 978   5.737 -22.165   1.612
  470   1HB   ALA 978          HB1       ALA 978   3.994 -21.069   2.926
  471   2HB   ALA 978          HB2       ALA 978   3.836 -19.823   1.688
  472   3HB   ALA 978          HB3       ALA 978   3.410 -21.495   1.317
  473    H    SER 979           H        SER 979   5.462 -18.877   0.212
  474    HA   SER 979           HA       SER 979   6.496 -19.665  -2.306
  475   1HB   SER 979          HB1       SER 979   3.531 -19.756  -1.915
  476   2HB   SER 979          HB2       SER 979   4.157 -19.183  -3.467
  477    HG   SER 979           HG       SER 979   5.093 -21.591  -2.318
  478    H    THR 980           H        THR 980   4.564 -17.333  -0.495
  479    HA   THR 980           HA       THR 980   4.282 -15.342  -2.429
  480    HB   THR 980           HB       THR 980   4.461 -14.904   0.544
  481    HG1  THR 980           HG1      THR 980   2.158 -15.252   0.390
  482   1HG2  THR 980          1HG2      THR 980   2.940 -13.031   0.079
  483   2HG2  THR 980          2HG2      THR 980   4.474 -12.840  -0.771
  484   3HG2  THR 980          3HG2      THR 980   3.041 -13.381  -1.647
  485    H    HIS 981           H        HIS 981   7.144 -16.051  -0.579
  486    HA   HIS 981           HA       HIS 981   8.171 -13.534  -0.204
  487   1HB   HIS 981          HB1       HIS 981  10.454 -14.554  -0.226
  488   2HB   HIS 981          HB2       HIS 981   9.301 -15.336   0.838
  489    HD1  HIS 981           HD1      HIS 981  10.824 -17.429   0.821
  490    HD2  HIS 981           HD2      HIS 981   9.190 -16.464  -2.881
  491    HE1  HIS 981           HE1      HIS 981  11.165 -19.460  -0.627
  492    HE2  HIS 981           HE2      HIS 981   9.981 -18.928  -2.787
  493    H    ARG 982           H        ARG 982   7.854 -15.092  -3.277
  494    HA   ARG 982           HA       ARG 982   9.892 -13.576  -4.577
  495   1HB   ARG 982          HB1       ARG 982   7.397 -14.847  -5.727
  496   2HB   ARG 982          HB2       ARG 982   8.756 -14.238  -6.665
  497   1HG   ARG 982          HG1       ARG 982  10.218 -15.893  -5.669
  498   2HG   ARG 982          HG2       ARG 982   8.896 -16.481  -4.660
  499   1HD   ARG 982          HD1       ARG 982   9.216 -17.933  -6.578
  500   2HD   ARG 982          HD2       ARG 982   7.657 -17.115  -6.679
  501    HE   ARG 982           HE       ARG 982   8.494 -15.780  -8.441
  502   1HH1  ARG 982          2HH1      ARG 982  10.795 -18.178  -7.314
  503   2HH1  ARG 982          1HH1      ARG 982  11.753 -18.130  -8.765
  504   1HH2  ARG 982          2HH2      ARG 982   9.770 -15.694 -10.347
  505   2HH2  ARG 982          1HH2      ARG 982  11.180 -16.709 -10.479
  506    H    GLU 983           H        GLU 983   6.287 -13.181  -4.713
  507    HA   GLU 983           HA       GLU 983   6.524 -10.577  -5.741
  508   1HB   GLU 983          HB1       GLU 983   4.361 -12.322  -5.144
  509   2HB   GLU 983          HB2       GLU 983   4.046 -10.762  -4.431
  510   1HG   GLU 983          HG1       GLU 983   3.135 -10.720  -6.593
  511   2HG   GLU 983          HG2       GLU 983   4.584  -9.711  -6.590
  512    H    ILE 984           H        ILE 984   5.968 -11.695  -2.412
  513    HA   ILE 984           HA       ILE 984   5.152  -9.157  -1.520
  514    HB   ILE 984           HB       ILE 984   4.846 -11.302  -0.221
  515   1HG1  ILE 984          1HG1      ILE 984   6.175  -9.102   1.374
  516   2HG1  ILE 984          2HG1      ILE 984   4.583  -8.912   0.647
  517   1HG2  ILE 984          1HG2      ILE 984   7.730 -10.770   0.480
  518   2HG2  ILE 984          2HG2      ILE 984   6.683 -11.946   1.275
  519   3HG2  ILE 984          3HG2      ILE 984   7.108 -12.148  -0.425
  520   1HD1  ILE 984          1HD1      ILE 984   5.327 -11.017   2.659
  521   2HD1  ILE 984          2HD1      ILE 984   4.473  -9.514   3.014
  522   3HD1  ILE 984          3HD1      ILE 984   3.724 -10.734   1.980
  523    H    GLU 985           H        GLU 985   8.341 -10.684  -1.759
  524    HA   GLU 985           HA       GLU 985   9.797  -8.534  -0.746
  525   1HB   GLU 985          HB1       GLU 985  10.474 -10.610  -2.792
  526   2HB   GLU 985          HB2       GLU 985  11.602  -9.313  -2.419
  527   1HG   GLU 985          HG1       GLU 985  10.483 -11.301  -0.456
  528   2HG   GLU 985          HG2       GLU 985  12.106 -11.321  -1.147
  529    H    MET 986           H        MET 986   8.420  -8.935  -4.051
  530    HA   MET 986           HA       MET 986   9.825  -6.655  -4.978
  531   1HB   MET 986          HB1       MET 986   8.562  -6.691  -6.991
  532   2HB   MET 986          HB2       MET 986   8.999  -8.331  -6.562
  533   1HG   MET 986          HG1       MET 986   6.809  -8.895  -6.019
  534   2HG   MET 986          HG2       MET 986   6.311  -7.208  -5.889
  535   1HE   MET 986          HE1       MET 986   7.778  -9.831  -8.448
  536   2HE   MET 986          HE2       MET 986   7.506  -8.982  -9.969
  537   3HE   MET 986          HE3       MET 986   8.645  -8.334  -8.789
  538    H    ALA 987           H        ALA 987   6.312  -6.917  -4.275
  539    HA   ALA 987           HA       ALA 987   6.059  -4.091  -4.491
  540   1HB   ALA 987          HB1       ALA 987   4.276  -5.596  -5.217
  541   2HB   ALA 987          HB2       ALA 987   4.003  -6.061  -3.537
  542   3HB   ALA 987          HB3       ALA 987   3.719  -4.397  -4.050
  543    H    GLN 988           H        GLN 988   6.342  -6.273  -1.685
  544    HA   GLN 988           HA       GLN 988   5.307  -4.287   0.103
  545   1HB   GLN 988          HB1       GLN 988   5.319  -6.743   0.612
  546   2HB   GLN 988          HB2       GLN 988   7.057  -6.641   0.836
  547   1HG   GLN 988          HG1       GLN 988   5.199  -4.914   2.419
  548   2HG   GLN 988          HG2       GLN 988   5.522  -6.578   2.893
  549   1HE2  GLN 988          2HE2      GLN 988   6.139  -4.047   4.227
  550   2HE2  GLN 988          1HE2      GLN 988   7.845  -4.066   4.499
  551    H    LYS 989           H        LYS 989   8.583  -5.308  -0.843
  552    HA   LYS 989           HA       LYS 989   9.872  -3.323   0.757
  553   1HB   LYS 989          HB1       LYS 989  10.868  -4.766  -1.709
  554   2HB   LYS 989          HB2       LYS 989  11.863  -3.804  -0.625
  555   1HG   LYS 989          HG1       LYS 989  10.409  -6.350   0.048
  556   2HG   LYS 989          HG2       LYS 989  12.153  -6.135  -0.125
  557   1HD   LYS 989          HD1       LYS 989  12.187  -4.651   1.791
  558   2HD   LYS 989          HD2       LYS 989  10.431  -4.751   1.931
  559   1HE   LYS 989          HE1       LYS 989  11.520  -6.195   3.561
  560   2HE   LYS 989          HE2       LYS 989  10.601  -7.142   2.392
  561   1HZ   LYS 989          HZ1       LYS 989  12.516  -7.894   1.365
  562   2HZ   LYS 989          HZ2       LYS 989  13.485  -6.650   2.001
  563   3HZ   LYS 989          HZ3       LYS 989  12.942  -7.905   3.005
  564    H    LEU 990           H        LEU 990   8.259  -3.389  -2.248
  565    HA   LEU 990           HA       LEU 990   9.272  -0.969  -3.345
  566   1HB   LEU 990          HB1       LEU 990   8.285  -2.500  -4.825
  567   2HB   LEU 990          HB2       LEU 990   6.892  -2.735  -3.800
  568    HG   LEU 990           HG       LEU 990   5.884  -0.726  -4.525
  569   1HD1  LEU 990          1HD1      LEU 990   7.004   0.889  -5.967
  570   2HD1  LEU 990          2HD1      LEU 990   7.938   0.678  -4.484
  571   3HD1  LEU 990          3HD1      LEU 990   8.467  -0.095  -5.978
  572   1HD2  LEU 990          1HD2      LEU 990   7.243  -2.039  -6.874
  573   2HD2  LEU 990          2HD2      LEU 990   5.791  -2.618  -6.060
  574   3HD2  LEU 990          3HD2      LEU 990   5.761  -1.081  -6.923
  575    H    LEU 991           H        LEU 991   6.308  -1.826  -1.609
  576    HA   LEU 991           HA       LEU 991   5.214   0.654  -1.176
  577   1HB   LEU 991          HB1       LEU 991   5.316  -1.639   0.781
  578   2HB   LEU 991          HB2       LEU 991   4.188  -0.297   0.838
  579    HG   LEU 991           HG       LEU 991   4.365  -2.293  -1.417
  580   1HD1  LEU 991          1HD1      LEU 991   2.374  -2.092   0.841
  581   2HD1  LEU 991          2HD1      LEU 991   2.285  -3.206  -0.523
  582   3HD1  LEU 991          3HD1      LEU 991   3.598  -3.346   0.647
  583   1HD2  LEU 991          1HD2      LEU 991   2.348  -0.134  -0.790
  584   2HD2  LEU 991          2HD2      LEU 991   3.520  -0.119  -2.108
  585   3HD2  LEU 991          3HD2      LEU 991   2.221  -1.312  -2.098
  586    H    ASN 992           H        ASN 992   7.661  -0.981   0.817
  587    HA   ASN 992           HA       ASN 992   8.139   0.935   2.714
  588   1HB   ASN 992          HB1       ASN 992   9.311  -1.285   2.476
  589   2HB   ASN 992          HB2       ASN 992  10.337  -0.543   1.252
  590   1HD2  ASN 992          2HD2      ASN 992  12.217  -0.816   2.432
  591   2HD2  ASN 992          1HD2      ASN 992  12.552   0.104   3.858
  592    H    SER 993           H        SER 993   9.212   0.919  -0.644
  593    HA   SER 993           HA       SER 993  10.725   3.342  -0.390
  594   1HB   SER 993          HB1       SER 993  11.330   1.635  -2.051
  595   2HB   SER 993          HB2       SER 993   9.787   1.880  -2.870
  596    HG   SER 993           HG       SER 993  11.930   3.093  -3.488
  597    H    ASP 994           H        ASP 994   7.553   2.509  -1.877
  598    HA   ASP 994           HA       ASP 994   7.175   5.201  -2.754
  599   1HB   ASP 994          HB1       ASP 994   4.835   4.485  -3.311
  600   2HB   ASP 994          HB2       ASP 994   6.113   3.553  -4.079
  601    H    LEU 995           H        LEU 995   5.798   3.366  -0.002
  602    HA   LEU 995           HA       LEU 995   4.283   5.475   1.025
  603   1HB   LEU 995          HB1       LEU 995   4.119   3.272   2.017
  604   2HB   LEU 995          HB2       LEU 995   5.810   3.295   2.477
  605    HG   LEU 995           HG       LEU 995   4.015   3.612   4.284
  606   1HD1  LEU 995          1HD1      LEU 995   6.265   5.605   4.099
  607   2HD1  LEU 995          2HD1      LEU 995   5.423   5.121   5.570
  608   3HD1  LEU 995          3HD1      LEU 995   6.397   3.948   4.685
  609   1HD2  LEU 995          1HD2      LEU 995   4.010   6.378   3.090
  610   2HD2  LEU 995          2HD2      LEU 995   2.651   5.254   3.139
  611   3HD2  LEU 995          3HD2      LEU 995   3.292   5.930   4.637
  612    H    ALA 996           H        ALA 996   7.682   4.699   1.738
  613    HA   ALA 996           HA       ALA 996   8.471   6.979   3.000
  614   1HB   ALA 996          HB1       ALA 996  10.103   5.614   0.873
  615   2HB   ALA 996          HB2       ALA 996  10.718   6.642   2.167
  616   3HB   ALA 996          HB3       ALA 996   9.968   5.092   2.552
  617    H    GLU 997           H        GLU 997   7.587   6.780  -0.320
  618    HA   GLU 997           HA       GLU 997   8.656   9.399  -0.981
  619   1HB   GLU 997          HB1       GLU 997   6.725   7.661  -2.506
  620   2HB   GLU 997          HB2       GLU 997   7.318   9.231  -3.057
  621   1HG   GLU 997          HG1       GLU 997   9.308   7.195  -2.265
  622   2HG   GLU 997          HG2       GLU 997   8.451   6.959  -3.789
  623    H    LEU 998           H        LEU 998   5.607   8.039   0.051
  624    HA   LEU 998           HA       LEU 998   4.245  10.543  -0.395
  625   1HB   LEU 998          HB1       LEU 998   3.432   7.884   0.656
  626   2HB   LEU 998          HB2       LEU 998   2.465   9.281   1.096
  627    HG   LEU 998           HG       LEU 998   2.261   9.801  -1.354
  628   1HD1  LEU 998          1HD1      LEU 998   2.696   7.978  -2.926
  629   2HD1  LEU 998          2HD1      LEU 998   4.172   8.560  -2.157
  630   3HD1  LEU 998          3HD1      LEU 998   3.439   7.047  -1.626
  631   1HD2  LEU 998          1HD2      LEU 998   0.458   8.753  -0.110
  632   2HD2  LEU 998          2HD2      LEU 998   0.544   8.114  -1.752
  633   3HD2  LEU 998          3HD2      LEU 998   1.166   7.164  -0.402
  634    H    ILE 999           H        ILE 999   5.757   8.828   2.227
  635    HA   ILE 999           HA       ILE 999   4.884  10.700   4.218
  636    HB   ILE 999           HB       ILE 999   6.643   9.910   5.687
  637   1HG1  ILE 999          1HG1      ILE 999   7.601   8.220   3.374
  638   2HG1  ILE 999          2HG1      ILE 999   8.418   9.658   3.977
  639   1HG2  ILE 999          1HG2      ILE 999   5.978   7.556   5.816
  640   2HG2  ILE 999          2HG2      ILE 999   4.604   8.628   5.545
  641   3HG2  ILE 999          3HG2      ILE 999   5.262   7.682   4.210
  642   1HD1  ILE 999          1HD1      ILE 999   9.466   7.636   4.809
  643   2HD1  ILE 999          2HD1      ILE 999   8.757   8.564   6.130
  644   3HD1  ILE 999          3HD1      ILE 999   7.939   7.122   5.527
  645    H    ASN1000           H        ASN1000   7.318  10.778   1.776
  646    HA   ASN1000           HA       ASN1000   8.303  13.311   2.853
  647   1HB   ASN1000          HB1       ASN1000  10.124  13.174   1.404
  648   2HB   ASN1000          HB2       ASN1000   9.819  11.494   1.795
  649   1HD2  ASN1000          2HD2      ASN1000  10.418  10.368   0.107
  650   2HD2  ASN1000          1HD2      ASN1000   9.947  10.662  -1.534
  651    H    LYS1001           H        LYS1001   6.113  12.079   0.529
  652    HA   LYS1001           HA       LYS1001   5.555  14.447  -0.858
  653   1HB   LYS1001          HB1       LYS1001   4.498  12.607  -1.772
  654   2HB   LYS1001          HB2       LYS1001   4.043  11.956  -0.210
  655   1HG   LYS1001          HG1       LYS1001   2.069  12.600  -1.387
  656   2HG   LYS1001          HG2       LYS1001   2.300  13.707  -0.036
  657   1HD   LYS1001          HD1       LYS1001   3.035  15.441  -1.459
  658   2HD   LYS1001          HD2       LYS1001   3.236  14.335  -2.822
  659   1HE   LYS1001          HE1       LYS1001   0.834  14.001  -2.932
  660   2HE   LYS1001          HE2       LYS1001   0.605  15.034  -1.520
  661   1HZ   LYS1001          HZ1       LYS1001   1.307  16.916  -2.733
  662   2HZ   LYS1001          HZ2       LYS1001   1.842  15.987  -4.043
  663   3HZ   LYS1001          HZ3       LYS1001   0.189  16.115  -3.714
  664    H    MET1002           H        MET1002   4.426  13.228   2.239
  665    HA   MET1002           HA       MET1002   2.759  15.522   2.743
  666   1HB   MET1002          HB1       MET1002   2.367  14.566   4.907
  667   2HB   MET1002          HB2       MET1002   2.298  13.264   3.729
  668   1HG   MET1002          HG1       MET1002   4.535  12.561   4.359
  669   2HG   MET1002          HG2       MET1002   4.643  13.893   5.507
  670   1HE   MET1002          HE1       MET1002   5.311  11.032   6.464
  671   2HE   MET1002          HE2       MET1002   5.207  12.388   7.587
  672   3HE   MET1002          HE3       MET1002   4.367  10.879   7.947
  673    H    LYS1003           H        LYS1003   5.926  14.346   3.474
  674    HA   LYS1003           HA       LYS1003   6.805  16.277   5.293
  675   1HB   LYS1003          HB1       LYS1003   7.856  14.049   4.267
  676   2HB   LYS1003          HB2       LYS1003   8.616  15.197   3.178
  677   1HG   LYS1003          HG1       LYS1003   9.539  16.362   5.151
  678   2HG   LYS1003          HG2       LYS1003   8.875  15.073   6.157
  679   1HD   LYS1003          HD1       LYS1003  10.173  13.441   4.768
  680   2HD   LYS1003          HD2       LYS1003  10.952  14.817   3.990
  681   1HE   LYS1003          HE1       LYS1003  12.415  14.042   5.698
  682   2HE   LYS1003          HE2       LYS1003  11.711  15.562   6.252
  683   1HZ   LYS1003          HZ1       LYS1003  10.724  12.872   7.040
  684   2HZ   LYS1003          HZ2       LYS1003  11.773  13.815   7.975
  685   3HZ   LYS1003          HZ3       LYS1003  10.200  14.365   7.655
  686    H    LEU1004           H        LEU1004   7.148  16.031   1.828
  687    HA   LEU1004           HA       LEU1004   8.561  18.453   1.481
  688   1HB   LEU1004          HB1       LEU1004   7.298  16.494  -0.367
  689   2HB   LEU1004          HB2       LEU1004   7.805  18.050  -1.008
  690    HG   LEU1004           HG       LEU1004   9.556  15.967   0.302
  691   1HD1  LEU1004          1HD1      LEU1004  10.640  15.858  -1.866
  692   2HD1  LEU1004          2HD1      LEU1004   8.919  15.497  -2.014
  693   3HD1  LEU1004          3HD1      LEU1004   9.535  17.078  -2.499
  694   1HD2  LEU1004          1HD2      LEU1004  10.301  18.704  -0.717
  695   2HD2  LEU1004          2HD2      LEU1004  10.291  18.192   0.972
  696   3HD2  LEU1004          3HD2      LEU1004  11.429  17.466  -0.164
  697    H    ALA1005           H        ALA1005   5.158  17.670   0.790
  698    HA   ALA1005           HA       ALA1005   4.509  20.172  -0.304
  699   1HB   ALA1005          HB1       ALA1005   3.082  18.197  -0.527
  700   2HB   ALA1005          HB2       ALA1005   2.714  18.269   1.196
  701   3HB   ALA1005          HB3       ALA1005   2.186  19.568   0.127
  702    H    GLN1006           H        GLN1006   4.239  18.946   3.000
  703    HA   GLN1006           HA       GLN1006   3.283  21.449   4.019
  704   1HB   GLN1006          HB1       GLN1006   2.715  20.235   5.823
  705   2HB   GLN1006          HB2       GLN1006   3.094  18.857   4.807
  706   1HG   GLN1006          HG1       GLN1006   4.385  18.227   6.506
  707   2HG   GLN1006          HG2       GLN1006   5.527  19.415   5.877
  708   1HE2  GLN1006          2HE2      GLN1006   6.390  19.789   7.933
  709   2HE2  GLN1006          1HE2      GLN1006   5.533  20.695   9.136
  710    H    GLN1007           H        GLN1007   6.322  20.155   3.269
  711    HA   GLN1007           HA       GLN1007   7.876  21.648   5.165
  712   1HB   GLN1007          HB1       GLN1007   8.333  19.455   3.594
  713   2HB   GLN1007          HB2       GLN1007   9.131  20.716   2.675
  714   1HG   GLN1007          HG1       GLN1007  10.676  19.575   4.144
  715   2HG   GLN1007          HG2       GLN1007  10.500  21.267   4.623
  716   1HE2  GLN1007          2HE2      GLN1007   8.050  18.857   5.270
  717   2HE2  GLN1007          1HE2      GLN1007   8.293  18.787   6.989
  718    H    TYR1008           H        TYR1008   6.997  21.892   1.757
  719    HA   TYR1008           HA       TYR1008   8.269  24.545   1.625
  720   1HB   TYR1008          HB1       TYR1008   7.211  22.874  -0.644
  721   2HB   TYR1008          HB2       TYR1008   8.129  24.361  -0.773
  722    HD1  TYR1008           HD1      TYR1008   8.554  21.716  -2.050
  723    HD2  TYR1008           HD2      TYR1008  10.245  23.436   1.428
  724    HE1  TYR1008           HE1      TYR1008  10.561  20.412  -2.452
  725    HE2  TYR1008           HE2      TYR1008  12.300  22.108   1.088
  726    HH   TYR1008           HH       TYR1008  12.949  20.481  -1.841
  727    H    VAL1009           H        VAL1009   5.484  23.749   2.703
  728    HA   VAL1009           HA       VAL1009   3.504  24.811   1.119
  729    HB   VAL1009           HB       VAL1009   2.898  23.799   3.190
  730   1HG1  VAL1009          1HG1      VAL1009   3.394  24.799   5.377
  731   2HG1  VAL1009          2HG1      VAL1009   4.862  24.353   4.510
  732   3HG1  VAL1009          3HG1      VAL1009   4.361  26.043   4.585
  733   1HG2  VAL1009          1HG2      VAL1009   2.218  26.740   3.292
  734   2HG2  VAL1009          2HG2      VAL1009   1.355  25.499   2.385
  735   3HG2  VAL1009          3HG2      VAL1009   1.363  25.458   4.147
  736    H    MET1010           H        MET1010   4.385  26.446  -0.151
  737    HA   MET1010           HA       MET1010   4.242  29.085   1.076
  738   1HB   MET1010          HB1       MET1010   6.601  28.424   1.340
  739   2HB   MET1010          HB2       MET1010   6.715  28.154  -0.394
  740   1HG   MET1010          HG1       MET1010   7.700  30.276   0.207
  741   2HG   MET1010          HG2       MET1010   6.268  30.524  -0.791
  742   1HE   MET1010          HE1       MET1010   6.193  33.075  -0.096
  743   2HE   MET1010          HE2       MET1010   6.204  33.634   1.577
  744   3HE   MET1010          HE3       MET1010   7.631  32.849   0.901
  745    H    THR1011           H        THR1011   2.654  29.812  -0.151
  746    HA   THR1011           HA       THR1011   1.478  30.524  -1.958
  747    HB   THR1011           HB       THR1011   2.820  32.058  -3.421
  748    HG1  THR1011           HG1      THR1011   5.054  32.353  -2.352
  749   1HG2  THR1011          1HG2      THR1011   3.359  33.622  -1.600
  750   2HG2  THR1011          2HG2      THR1011   1.795  32.845  -1.356
  751   3HG2  THR1011          3HG2      THR1011   3.201  32.308  -0.435
  752    H    SER1012           H        SER1012   3.992  30.566  -4.242
  753    HA   SER1012           HA       SER1012   2.387  28.803  -5.916
  754   1HB   SER1012          HB1       SER1012   4.751  30.492  -6.734
  755   2HB   SER1012          HB2       SER1012   3.477  29.843  -7.766
  756    HG   SER1012           HG       SER1012   2.375  31.576  -7.360
  757    H    LEU1013           H        LEU1013   5.389  28.808  -4.239
  758    HA   LEU1013           HA       LEU1013   6.769  26.952  -5.916
  759   1HB   LEU1013          HB1       LEU1013   7.227  27.789  -3.053
  760   2HB   LEU1013          HB2       LEU1013   8.271  26.673  -3.909
  761    HG   LEU1013           HG       LEU1013   8.638  28.548  -5.604
  762   1HD1  LEU1013          1HD1      LEU1013   7.476  30.183  -3.357
  763   2HD1  LEU1013          2HD1      LEU1013   8.280  30.818  -4.793
  764   3HD1  LEU1013          3HD1      LEU1013   6.753  29.948  -4.947
  765   1HD2  LEU1013          1HD2      LEU1013  10.341  29.610  -4.205
  766   2HD2  LEU1013          2HD2      LEU1013   9.604  28.892  -2.772
  767   3HD2  LEU1013          3HD2      LEU1013  10.326  27.859  -4.004
  768    H    GLN1014           H        GLN1014   4.565  26.746  -3.258
  769    HA   GLN1014           HA       GLN1014   5.002  24.132  -2.394
  770   1HB   GLN1014          HB1       GLN1014   3.463  25.973  -1.429
  771   2HB   GLN1014          HB2       GLN1014   2.269  25.383  -2.572
  772   1HG   GLN1014          HG1       GLN1014   3.568  23.555  -0.591
  773   2HG   GLN1014          HG2       GLN1014   2.161  24.530  -0.175
  774   1HE2  GLN1014          2HE2      GLN1014   3.358  21.859  -2.002
  775   2HE2  GLN1014          1HE2      GLN1014   1.823  21.285  -2.553
  776    H    GLN1015           H        GLN1015   2.875  25.366  -4.955
  777    HA   GLN1015           HA       GLN1015   1.458  23.062  -5.479
  778   1HB   GLN1015          HB1       GLN1015   1.891  25.586  -6.783
  779   2HB   GLN1015          HB2       GLN1015   1.759  24.289  -7.955
  780   1HG   GLN1015          HG1       GLN1015  -0.410  25.106  -7.697
  781   2HG   GLN1015          HG2       GLN1015  -0.365  23.604  -6.784
  782   1HE2  GLN1015          2HE2      GLN1015   1.027  24.765  -4.505
  783   2HE2  GLN1015          1HE2      GLN1015  -0.119  25.771  -3.687
  784    H    GLU1016           H        GLU1016   4.625  23.946  -6.886
  785    HA   GLU1016           HA       GLU1016   5.057  21.907  -8.657
  786   1HB   GLU1016          HB1       GLU1016   6.925  23.245  -8.419
  787   2HB   GLU1016          HB2       GLU1016   6.768  23.333  -6.671
  788   1HG   GLU1016          HG1       GLU1016   8.642  22.054  -6.796
  789   2HG   GLU1016          HG2       GLU1016   7.449  20.778  -6.823
  790    H    TYR1017           H        TYR1017   5.792  21.820  -5.301
  791    HA   TYR1017           HA       TYR1017   6.358  19.064  -5.185
  792   1HB   TYR1017          HB1       TYR1017   5.877  21.096  -2.984
  793   2HB   TYR1017          HB2       TYR1017   6.603  19.482  -2.762
  794    HD1  TYR1017           HD1      TYR1017   8.689  18.907  -4.080
  795    HD2  TYR1017           HD2      TYR1017   7.206  22.885  -3.775
  796    HE1  TYR1017           HE1      TYR1017  10.857  19.763  -4.856
  797    HE2  TYR1017           HE2      TYR1017   9.378  23.757  -4.545
  798    HH   TYR1017           HH       TYR1017  11.736  23.041  -4.609
  799    H    LYS1018           H        LYS1018   3.447  20.904  -4.379
  800    HA   LYS1018           HA       LYS1018   1.811  18.796  -3.704
  801   1HB   LYS1018          HB1       LYS1018   1.165  21.207  -3.813
  802   2HB   LYS1018          HB2       LYS1018   1.073  21.061  -5.561
  803   1HG   LYS1018          HG1       LYS1018  -0.739  19.494  -5.386
  804   2HG   LYS1018          HG2       LYS1018  -0.584  19.460  -3.627
  805   1HD   LYS1018          HD1       LYS1018  -1.076  21.904  -3.608
  806   2HD   LYS1018          HD2       LYS1018  -1.401  21.804  -5.340
  807   1HE   LYS1018          HE1       LYS1018  -3.245  20.326  -4.976
  808   2HE   LYS1018          HE2       LYS1018  -2.835  20.147  -3.271
  809   1HZ   LYS1018          HZ1       LYS1018  -3.909  22.559  -4.628
  810   2HZ   LYS1018          HZ2       LYS1018  -4.631  21.648  -3.396
  811   3HZ   LYS1018          HZ3       LYS1018  -3.262  22.590  -3.058
  812    H    LYS1019           H        LYS1019   2.842  19.794  -6.985
  813    HA   LYS1019           HA       LYS1019   1.016  17.951  -8.261
  814   1HB   LYS1019          HB1       LYS1019   3.216  19.741  -9.267
  815   2HB   LYS1019          HB2       LYS1019   2.388  18.618 -10.333
  816   1HG   LYS1019          HG1       LYS1019   0.998  20.754  -8.735
  817   2HG   LYS1019          HG2       LYS1019   1.528  20.949 -10.407
  818   1HD   LYS1019          HD1       LYS1019   0.149  18.828 -10.869
  819   2HD   LYS1019          HD2       LYS1019  -0.594  19.141  -9.299
  820   1HE   LYS1019          HE1       LYS1019  -1.972  20.127 -10.995
  821   2HE   LYS1019          HE2       LYS1019  -1.176  21.423 -10.104
  822   1HZ   LYS1019          HZ1       LYS1019   0.440  21.620 -11.888
  823   2HZ   LYS1019          HZ2       LYS1019  -0.302  20.357 -12.739
  824   3HZ   LYS1019          HZ3       LYS1019  -1.132  21.815 -12.496
  825    H    GLN1020           H        GLN1020   4.571  18.189  -8.279
  826    HA   GLN1020           HA       GLN1020   5.038  15.808  -9.620
  827   1HB   GLN1020          HB1       GLN1020   6.754  17.520  -9.303
  828   2HB   GLN1020          HB2       GLN1020   6.803  17.168  -7.581
  829   1HG   GLN1020          HG1       GLN1020   7.584  14.908  -8.064
  830   2HG   GLN1020          HG2       GLN1020   7.538  15.263  -9.789
  831   1HE2  GLN1020          2HE2      GLN1020   8.542  17.633  -7.452
  832   2HE2  GLN1020          1HE2      GLN1020  10.224  17.627  -7.867
  833    H    MET1021           H        MET1021   4.884  16.401  -6.132
  834    HA   MET1021           HA       MET1021   5.523  13.687  -5.513
  835   1HB   MET1021          HB1       MET1021   4.522  15.956  -3.808
  836   2HB   MET1021          HB2       MET1021   4.874  14.355  -3.173
  837   1HG   MET1021          HG1       MET1021   6.863  16.121  -4.578
  838   2HG   MET1021          HG2       MET1021   6.699  15.975  -2.831
  839   1HE   MET1021          HE1       MET1021   8.278  14.564  -6.039
  840   2HE   MET1021          HE2       MET1021   8.518  12.852  -5.689
  841   3HE   MET1021          HE3       MET1021   6.891  13.481  -5.954
  842    H    LEU1022           H        LEU1022   2.607  15.314  -6.354
  843    HA   LEU1022           HA       LEU1022   0.833  13.434  -5.119
  844   1HB   LEU1022          HB1       LEU1022   0.117  15.687  -5.938
  845   2HB   LEU1022          HB2       LEU1022   0.331  15.113  -7.580
  846    HG   LEU1022           HG       LEU1022  -1.425  13.428  -7.230
  847   1HD1  LEU1022          1HD1      LEU1022  -1.689  14.702  -4.509
  848   2HD1  LEU1022          2HD1      LEU1022  -2.818  13.538  -5.202
  849   3HD1  LEU1022          3HD1      LEU1022  -1.156  13.056  -4.851
  850   1HD2  LEU1022          1HD2      LEU1022  -3.328  14.978  -7.093
  851   2HD2  LEU1022          2HD2      LEU1022  -2.242  16.246  -6.527
  852   3HD2  LEU1022          3HD2      LEU1022  -2.052  15.583  -8.149
  853    H    THR1023           H        THR1023   2.615  13.612  -8.126
  854    HA   THR1023           HA       THR1023   1.505  11.342  -9.378
  855    HB   THR1023           HB       THR1023   4.360  12.324  -9.608
  856    HG1  THR1023           HG1      THR1023   3.539  14.040 -10.520
  857   1HG2  THR1023          1HG2      THR1023   3.967  10.160 -10.667
  858   2HG2  THR1023          2HG2      THR1023   2.581  10.817 -11.537
  859   3HG2  THR1023          3HG2      THR1023   4.206  11.406 -11.892
  860    H    ALA1024           H        ALA1024   4.154  11.784  -7.082
  861    HA   ALA1024           HA       ALA1024   4.901   9.061  -6.882
  862   1HB   ALA1024          HB1       ALA1024   6.027   9.703  -4.820
  863   2HB   ALA1024          HB2       ALA1024   6.334  10.890  -6.088
  864   3HB   ALA1024          HB3       ALA1024   5.168  11.243  -4.812
  865    H    ALA1025           H        ALA1025   2.522  11.053  -5.226
  866    HA   ALA1025           HA       ALA1025   1.707   9.189  -3.282
  867   1HB   ALA1025          HB1       ALA1025   0.113  11.383  -4.606
  868   2HB   ALA1025          HB2       ALA1025  -0.324  10.548  -3.114
  869   3HB   ALA1025          HB3       ALA1025   1.124  11.552  -3.170
  870    H    HIS1026           H        HIS1026   0.743   9.701  -6.618
  871    HA   HIS1026           HA       HIS1026  -1.326   7.763  -6.654
  872   1HB   HIS1026          HB1       HIS1026  -1.164   9.455  -8.404
  873   2HB   HIS1026          HB2       HIS1026   0.407   8.838  -8.897
  874    HD1  HIS1026           HD1      HIS1026   0.372   7.266 -10.798
  875    HD2  HIS1026           HD2      HIS1026  -3.295   7.402  -8.835
  876    HE1  HIS1026           HE1      HIS1026  -1.184   5.825 -12.158
  877    HE2  HIS1026           HE2      HIS1026  -3.353   5.802 -10.871
  878    H    ALA1027           H        ALA1027   2.149   7.632  -6.950
  879    HA   ALA1027           HA       ALA1027   2.410   5.086  -8.097
  880   1HB   ALA1027          HB1       ALA1027   4.690   5.104  -7.252
  881   2HB   ALA1027          HB2       ALA1027   4.267   6.672  -7.942
  882   3HB   ALA1027          HB3       ALA1027   4.301   6.457  -6.191
  883    H    LEU1028           H        LEU1028   2.560   6.021  -4.629
  884    HA   LEU1028           HA       LEU1028   2.769   3.425  -3.642
  885   1HB   LEU1028          HB1       LEU1028   3.200   4.970  -2.007
  886   2HB   LEU1028          HB2       LEU1028   1.855   6.000  -2.425
  887    HG   LEU1028           HG       LEU1028   1.251   3.314  -1.250
  888   1HD1  LEU1028          1HD1      LEU1028   3.063   4.177   0.152
  889   2HD1  LEU1028          2HD1      LEU1028   2.172   5.685   0.368
  890   3HD1  LEU1028          3HD1      LEU1028   1.521   4.174   1.007
  891   1HD2  LEU1028          1HD2      LEU1028  -0.577   4.774  -1.945
  892   2HD2  LEU1028          2HD2      LEU1028  -0.570   4.565  -0.192
  893   3HD2  LEU1028          3HD2      LEU1028   0.040   6.059  -0.905
  894    H    ALA1029           H        ALA1029  -0.234   5.336  -4.032
  895    HA   ALA1029           HA       ALA1029  -2.054   3.425  -3.398
  896   1HB   ALA1029          HB1       ALA1029  -2.624   5.731  -3.993
  897   2HB   ALA1029          HB2       ALA1029  -2.312   5.369  -5.691
  898   3HB   ALA1029          HB3       ALA1029  -3.638   4.569  -4.849
  899    H    VAL1030           H        VAL1030  -0.174   3.568  -6.358
  900    HA   VAL1030           HA       VAL1030  -1.737   1.462  -7.583
  901    HB   VAL1030           HB       VAL1030   0.742   2.882  -8.559
  902   1HG1  VAL1030          1HG1      VAL1030  -0.959   0.827  -9.965
  903   2HG1  VAL1030          2HG1      VAL1030   0.324   1.776 -10.714
  904   3HG1  VAL1030          3HG1      VAL1030   0.711   0.615  -9.441
  905   1HG2  VAL1030          1HG2      VAL1030  -1.264   4.264  -8.541
  906   2HG2  VAL1030          2HG2      VAL1030  -0.792   3.873 -10.194
  907   3HG2  VAL1030          3HG2      VAL1030  -2.139   3.022  -9.437
  908    H    ASP1031           H        ASP1031   1.444   1.876  -6.163
  909    HA   ASP1031           HA       ASP1031   2.186  -0.816  -6.582
  910   1HB   ASP1031          HB1       ASP1031   3.306   1.298  -4.760
  911   2HB   ASP1031          HB2       ASP1031   4.020  -0.306  -4.940
  912    H    ALA1032           H        ALA1032   0.582   0.757  -3.730
  913    HA   ALA1032           HA       ALA1032   0.158  -1.472  -2.193
  914   1HB   ALA1032          HB1       ALA1032  -2.044  -0.547  -1.683
  915   2HB   ALA1032          HB2       ALA1032  -0.817   0.720  -1.720
  916   3HB   ALA1032          HB3       ALA1032  -1.925   0.524  -3.079
  917    H    LYS1033           H        LYS1033  -1.927  -0.517  -4.938
  918    HA   LYS1033           HA       LYS1033  -3.262  -2.849  -5.358
  919   1HB   LYS1033          HB1       LYS1033  -3.745  -0.807  -6.581
  920   2HB   LYS1033          HB2       LYS1033  -2.234  -0.946  -7.465
  921   1HG   LYS1033          HG1       LYS1033  -4.113  -3.225  -7.663
  922   2HG   LYS1033          HG2       LYS1033  -4.580  -1.721  -8.460
  923   1HD   LYS1033          HD1       LYS1033  -1.946  -3.137  -8.866
  924   2HD   LYS1033          HD2       LYS1033  -3.339  -3.282  -9.941
  925   1HE   LYS1033          HE1       LYS1033  -2.019  -0.662  -9.260
  926   2HE   LYS1033          HE2       LYS1033  -1.577  -1.637 -10.659
  927   1HZ   LYS1033          HZ1       LYS1033  -3.707  -1.346 -11.598
  928   2HZ   LYS1033          HZ2       LYS1033  -4.345  -0.673 -10.178
  929   3HZ   LYS1033          HZ3       LYS1033  -3.207   0.191 -11.094
  930    H    ASN1034           H        ASN1034   0.142  -2.299  -6.188
  931    HA   ASN1034           HA       ASN1034   0.347  -4.608  -7.849
  932   1HB   ASN1034          HB1       ASN1034   2.052  -2.783  -7.813
  933   2HB   ASN1034          HB2       ASN1034   2.540  -3.318  -6.207
  934   1HD2  ASN1034          2HD2      ASN1034   4.624  -3.775  -6.917
  935   2HD2  ASN1034          1HD2      ASN1034   4.986  -5.147  -7.899
  936    H    LEU1035           H        LEU1035   1.106  -4.007  -4.436
  937    HA   LEU1035           HA       LEU1035   1.598  -6.721  -3.751
  938   1HB   LEU1035          HB1       LEU1035   2.154  -4.708  -2.322
  939   2HB   LEU1035          HB2       LEU1035   0.450  -4.593  -1.914
  940    HG   LEU1035           HG       LEU1035   0.769  -7.091  -1.159
  941   1HD1  LEU1035          1HD1      LEU1035   3.033  -7.336  -1.985
  942   2HD1  LEU1035          2HD1      LEU1035   3.570  -6.006  -0.958
  943   3HD1  LEU1035          3HD1      LEU1035   2.989  -7.505  -0.231
  944   1HD2  LEU1035          1HD2      LEU1035   0.144  -5.230   0.303
  945   2HD2  LEU1035          2HD2      LEU1035   1.263  -6.341   1.092
  946   3HD2  LEU1035          3HD2      LEU1035   1.844  -4.797   0.468
  947    H    LEU1036           H        LEU1036  -1.357  -4.821  -3.973
  948    HA   LEU1036           HA       LEU1036  -3.304  -6.433  -2.919
  949   1HB   LEU1036          HB1       LEU1036  -3.709  -4.231  -3.920
  950   2HB   LEU1036          HB2       LEU1036  -3.347  -4.862  -5.505
  951    HG   LEU1036           HG       LEU1036  -5.775  -4.401  -4.968
  952   1HD1  LEU1036          1HD1      LEU1036  -4.984  -7.139  -5.928
  953   2HD1  LEU1036          2HD1      LEU1036  -6.583  -6.421  -6.123
  954   3HD1  LEU1036          3HD1      LEU1036  -5.182  -5.683  -6.903
  955   1HD2  LEU1036          1HD2      LEU1036  -7.001  -6.107  -3.762
  956   2HD2  LEU1036          2HD2      LEU1036  -5.494  -6.939  -3.379
  957   3HD2  LEU1036          3HD2      LEU1036  -5.806  -5.332  -2.722
  958    H    ASP1037           H        ASP1037  -1.409  -6.875  -5.735
  959    HA   ASP1037           HA       ASP1037  -2.903  -9.242  -6.596
  960   1HB   ASP1037          HB1       ASP1037  -2.147  -7.584  -8.325
  961   2HB   ASP1037          HB2       ASP1037  -0.481  -7.967  -7.902
  962    H    VAL1038           H        VAL1038   0.150  -8.151  -5.315
  963    HA   VAL1038           HA       VAL1038   1.690 -10.463  -5.335
  964    HB   VAL1038           HB       VAL1038   1.547  -8.181  -3.383
  965   1HG1  VAL1038          1HG1      VAL1038   3.571 -10.407  -3.425
  966   2HG1  VAL1038          2HG1      VAL1038   3.683  -8.938  -2.458
  967   3HG1  VAL1038          3HG1      VAL1038   2.385 -10.093  -2.158
  968   1HG2  VAL1038          1HG2      VAL1038   3.537  -8.899  -5.525
  969   2HG2  VAL1038          2HG2      VAL1038   2.334  -7.612  -5.605
  970   3HG2  VAL1038          3HG2      VAL1038   3.655  -7.515  -4.440
  971    H    ILE1039           H        ILE1039  -0.148  -9.233  -2.578
  972    HA   ILE1039           HA       ILE1039   0.083 -11.697  -1.169
  973    HB   ILE1039           HB       ILE1039  -1.570 -10.543   0.458
  974   1HG1  ILE1039          1HG1      ILE1039  -1.405  -8.074   0.413
  975   2HG1  ILE1039          2HG1      ILE1039  -0.614  -8.169  -1.155
  976   1HG2  ILE1039          1HG2      ILE1039   0.758 -10.964   0.919
  977   2HG2  ILE1039          2HG2      ILE1039   1.231  -9.543  -0.013
  978   3HG2  ILE1039          3HG2      ILE1039   0.317  -9.353   1.484
  979   1HD1  ILE1039          1HD1      ILE1039  -3.417  -9.045  -0.537
  980   2HD1  ILE1039          2HD1      ILE1039  -2.941  -7.571  -1.378
  981   3HD1  ILE1039          3HD1      ILE1039  -2.625  -9.143  -2.110
  982    H    ASP1040           H        ASP1040  -2.793 -10.108  -2.787
  983    HA   ASP1040           HA       ASP1040  -4.420 -12.246  -2.612
  984   1HB   ASP1040          HB1       ASP1040  -5.039 -10.304  -3.954
  985   2HB   ASP1040          HB2       ASP1040  -3.856 -10.747  -5.183
  986    H    GLN1041           H        GLN1041  -1.422 -12.114  -4.434
  987    HA   GLN1041           HA       GLN1041  -1.858 -14.783  -5.463
  988   1HB   GLN1041          HB1       GLN1041   0.619 -13.064  -5.410
  989   2HB   GLN1041          HB2       GLN1041   0.639 -14.740  -5.937
  990   1HG   GLN1041          HG1       GLN1041  -1.191 -14.031  -7.591
  991   2HG   GLN1041          HG2       GLN1041  -0.690 -12.381  -7.218
  992   1HE2  GLN1041          2HE2      GLN1041   0.126 -11.909  -9.205
  993   2HE2  GLN1041          1HE2      GLN1041   1.553 -12.662  -9.847
  994    H    ALA1042           H        ALA1042  -0.370 -13.216  -2.705
  995    HA   ALA1042           HA       ALA1042   1.045 -15.299  -1.588
  996   1HB   ALA1042          HB1       ALA1042   1.063 -13.026  -0.694
  997   2HB   ALA1042          HB2       ALA1042  -0.587 -13.250  -0.112
  998   3HB   ALA1042          HB3       ALA1042   0.724 -14.218   0.562
  999    H    ARG1043           H        ARG1043  -2.294 -14.355  -0.844
 1000    HA   ARG1043           HA       ARG1043  -3.205 -16.478   0.547
 1001   1HB   ARG1043          HB1       ARG1043  -4.964 -15.108   0.347
 1002   2HB   ARG1043          HB2       ARG1043  -4.330 -14.408  -1.130
 1003   1HG   ARG1043          HG1       ARG1043  -5.674 -17.049  -1.295
 1004   2HG   ARG1043          HG2       ARG1043  -6.664 -15.614  -1.044
 1005   1HD   ARG1043          HD1       ARG1043  -5.707 -14.603  -3.042
 1006   2HD   ARG1043          HD2       ARG1043  -4.693 -16.024  -3.280
 1007    HE   ARG1043           HE       ARG1043  -7.480 -16.675  -3.187
 1008   1HH1  ARG1043          2HH1      ARG1043  -4.979 -15.337  -5.236
 1009   2HH1  ARG1043          1HH1      ARG1043  -5.714 -15.881  -6.711
 1010   1HH2  ARG1043          2HH2      ARG1043  -8.493 -17.348  -5.138
 1011   2HH2  ARG1043          1HH2      ARG1043  -7.692 -17.062  -6.659
 1012    H    LEU1044           H        LEU1044  -2.820 -16.399  -2.998
 1013    HA   LEU1044           HA       LEU1044  -3.720 -19.127  -3.274
 1014   1HB   LEU1044          HB1       LEU1044  -4.078 -17.511  -5.061
 1015   2HB   LEU1044          HB2       LEU1044  -2.354 -17.298  -5.235
 1016    HG   LEU1044           HG       LEU1044  -2.164 -19.674  -5.937
 1017   1HD1  LEU1044          1HD1      LEU1044  -4.139 -20.551  -4.836
 1018   2HD1  LEU1044          2HD1      LEU1044  -5.176 -19.573  -5.874
 1019   3HD1  LEU1044          3HD1      LEU1044  -4.205 -20.873  -6.569
 1020   1HD2  LEU1044          1HD2      LEU1044  -3.151 -19.352  -8.162
 1021   2HD2  LEU1044          2HD2      LEU1044  -4.050 -17.963  -7.550
 1022   3HD2  LEU1044          3HD2      LEU1044  -2.289 -17.918  -7.605
 1023    H    LYS1045           H        LYS1045  -0.649 -17.501  -2.901
 1024    HA   LYS1045           HA       LYS1045   1.134 -19.535  -3.647
 1025   1HB   LYS1045          HB1       LYS1045   1.421 -17.530  -1.394
 1026   2HB   LYS1045          HB2       LYS1045   2.728 -18.471  -2.074
 1027   1HG   LYS1045          HG1       LYS1045   1.175 -16.281  -3.398
 1028   2HG   LYS1045          HG2       LYS1045   2.859 -16.253  -2.883
 1029   1HD   LYS1045          HD1       LYS1045   3.401 -17.952  -4.560
 1030   2HD   LYS1045          HD2       LYS1045   1.707 -18.002  -5.063
 1031   1HE   LYS1045          HE1       LYS1045   1.869 -15.570  -5.596
 1032   2HE   LYS1045          HE2       LYS1045   3.595 -15.659  -5.257
 1033   1HZ   LYS1045          HZ1       LYS1045   3.008 -15.826  -7.637
 1034   2HZ   LYS1045          HZ2       LYS1045   3.900 -17.151  -7.074
 1035   3HZ   LYS1045          HZ3       LYS1045   2.225 -17.294  -7.323
 1036    H    MET1046           H        MET1046  -0.468 -18.776  -0.633
 1037    HA   MET1046           HA       MET1046   0.664 -20.812   0.948
 1038   1HB   MET1046          HB1       MET1046  -0.680 -18.749   1.652
 1039   2HB   MET1046          HB2       MET1046  -2.106 -19.694   1.266
 1040   1HG   MET1046          HG1       MET1046  -1.417 -21.380   2.907
 1041   2HG   MET1046          HG2       MET1046  -0.011 -20.391   3.302
 1042   1HE   MET1046          HE1       MET1046  -2.106 -19.834   6.524
 1043   2HE   MET1046          HE2       MET1046  -1.834 -21.331   5.632
 1044   3HE   MET1046          HE3       MET1046  -0.510 -20.187   5.860
 1045    H    ILE1047           H        ILE1047  -2.158 -20.674  -1.146
 1046    HA   ILE1047           HA       ILE1047  -3.156 -23.260  -0.686
 1047    HB   ILE1047           HB       ILE1047  -3.185 -21.730  -3.295
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.166 -20.361  -1.582
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.467 -21.032  -2.559
 1050   1HG2  ILE1047          1HG2      ILE1047  -4.947 -23.969  -2.309
 1051   2HG2  ILE1047          2HG2      ILE1047  -5.171 -23.072  -3.811
 1052   3HG2  ILE1047          3HG2      ILE1047  -3.738 -24.075  -3.588
 1053   1HD1  ILE1047          1HD1      ILE1047  -5.895 -22.704  -0.842
 1054   2HD1  ILE1047          2HD1      ILE1047  -4.585 -22.039   0.135
 1055   3HD1  ILE1047          3HD1      ILE1047  -6.018 -21.066  -0.200
 1056    H    SER1048           H        SER1048  -0.894 -21.990  -3.079
 1057    HA   SER1048           HA       SER1048  -0.239 -24.250  -4.505
 1058   1HB   SER1048          HB1       SER1048   0.498 -22.032  -5.170
 1059   2HB   SER1048          HB2       SER1048   1.505 -21.892  -3.729
 1060    HG   SER1048           HG       SER1048   3.011 -22.958  -4.712
 1061    H    GLN1049           H        GLN1049   1.088 -23.148  -1.420
 1062    HA   GLN1049           HA       GLN1049   3.218 -24.969  -1.289
 1063   1HB   GLN1049          HB1       GLN1049   3.065 -22.984   0.146
 1064   2HB   GLN1049          HB2       GLN1049   1.697 -23.699   0.991
 1065   1HG   GLN1049          HG1       GLN1049   3.821 -23.890   2.227
 1066   2HG   GLN1049          HG2       GLN1049   3.079 -25.448   1.872
 1067   1HE2  GLN1049          2HE2      GLN1049   5.034 -26.524   2.094
 1068   2HE2  GLN1049          1HE2      GLN1049   6.278 -26.433   0.893
 1069    H    SER1050           H        SER1050   0.220 -25.154   0.669
 1070    HA   SER1050           HA       SER1050  -0.091 -27.954   0.064
 1071   1HB   SER1050          HB1       SER1050   0.690 -27.142   2.878
 1072   2HB   SER1050          HB2       SER1050   0.161 -28.750   2.391
 1073    HG   SER1050           HG       SER1050   2.134 -28.076   0.776
 1074    H    ARG1051           H        ARG1051  -1.514 -25.125   0.538
 1075    HA   ARG1051           HA       ARG1051  -3.410 -24.271   1.481
 1076   1HB   ARG1051          HB1       ARG1051  -4.489 -25.771  -0.097
 1077   2HB   ARG1051          HB2       ARG1051  -4.319 -27.125   1.009
 1078   1HG   ARG1051          HG1       ARG1051  -6.588 -26.406   1.068
 1079   2HG   ARG1051          HG2       ARG1051  -5.838 -25.934   2.593
 1080   1HD   ARG1051          HD1       ARG1051  -5.465 -23.664   1.575
 1081   2HD   ARG1051          HD2       ARG1051  -6.474 -24.187   0.228
 1082    HE   ARG1051           HE       ARG1051  -7.519 -24.229   2.989
 1083   1HH1  ARG1051          2HH1      ARG1051  -7.746 -23.137  -0.342
 1084   2HH1  ARG1051          1HH1      ARG1051  -9.275 -22.346  -0.107
 1085   1HH2  ARG1051          2HH2      ARG1051  -9.533 -23.216   3.285
 1086   2HH2  ARG1051          1HH2      ARG1051 -10.285 -22.379   1.961
 1087    HA   PRO1052           HA       PRO1052  -2.412 -25.984   5.680
 1088   1HB   PRO1052          HB1       PRO1052  -1.371 -23.395   6.396
 1089   2HB   PRO1052          HB2       PRO1052  -0.492 -24.913   6.214
 1090   1HG   PRO1052          HG1       PRO1052  -0.182 -22.757   4.549
 1091   2HG   PRO1052          HG2       PRO1052   0.143 -24.436   4.077
 1092   1HD   PRO1052          HD1       PRO1052  -2.282 -22.753   3.545
 1093   2HD   PRO1052          HD2       PRO1052  -1.420 -23.867   2.458
 1094    H    HIS1053           H        HIS1053  -4.944 -25.006   4.788
 1095    HA   HIS1053           HA       HIS1053  -5.981 -24.060   7.280
 1096   1HB   HIS1053          HB1       HIS1053  -5.196 -21.947   6.080
 1097   2HB   HIS1053          HB2       HIS1053  -6.451 -22.271   4.889
 1098    HD1  HIS1053           HD1      HIS1053  -5.870 -20.776   8.186
 1099    HD2  HIS1053           HD2      HIS1053  -9.139 -22.115   5.984
 1100    HE1  HIS1053           HE1      HIS1053  -7.901 -19.777   9.297
 1101    HE2  HIS1053           HE2      HIS1053  -9.844 -20.475   7.852
  Start of MODEL   18
    1   1H    ARG 920           H        ARG 920  -7.792 -19.583  -3.049
    2    HA   ARG 920           HA       ARG 920  -8.327 -18.896  -0.394
    3   1HB   ARG 920          HB1       ARG 920  -6.943 -17.033  -0.645
    4   2HB   ARG 920          HB2       ARG 920  -6.281 -18.239  -1.741
    5   1HG   ARG 920          HG1       ARG 920  -8.201 -16.133  -2.665
    6   2HG   ARG 920          HG2       ARG 920  -6.459 -15.859  -2.583
    7   1HD   ARG 920          HD1       ARG 920  -6.032 -17.638  -4.100
    8   2HD   ARG 920          HD2       ARG 920  -7.707 -18.168  -4.045
    9    HE   ARG 920           HE       ARG 920  -8.154 -16.723  -5.735
   10   1HH1  ARG 920          2HH1      ARG 920  -5.364 -15.438  -4.026
   11   2HH1  ARG 920          1HH1      ARG 920  -5.202 -14.075  -5.092
   12   1HH2  ARG 920          2HH2      ARG 920  -7.880 -14.940  -7.138
   13   2HH2  ARG 920          1HH2      ARG 920  -6.602 -13.803  -6.835
   14    H    SER 921           H        SER 921  -9.168 -16.845   0.383
   15    HA   SER 921           HA       SER 921 -11.561 -16.013  -1.111
   16   1HB   SER 921          HB1       SER 921 -12.359 -15.334   1.206
   17   2HB   SER 921          HB2       SER 921 -12.170 -17.070   0.940
   18    HG   SER 921           HG       SER 921 -10.983 -15.530   2.784
   19    H    ASN 922           H        ASN 922  -8.711 -15.037  -1.191
   20    HA   ASN 922           HA       ASN 922  -7.420 -13.157  -1.055
   21   1HB   ASN 922          HB1       ASN 922  -9.625 -11.253  -1.182
   22   2HB   ASN 922          HB2       ASN 922  -8.230 -11.421  -2.236
   23   1HD2  ASN 922          2HD2      ASN 922  -8.271 -12.968  -3.897
   24   2HD2  ASN 922          1HD2      ASN 922  -9.780 -13.473  -4.599
   25    H    ASP 923           H        ASP 923  -7.634 -14.049   1.219
   26    HA   ASP 923           HA       ASP 923  -9.100 -13.028   3.273
   27   1HB   ASP 923          HB1       ASP 923  -7.552 -14.986   3.315
   28   2HB   ASP 923          HB2       ASP 923  -6.196 -13.873   3.400
   29    H    LYS 924           H        LYS 924  -7.760 -11.943   5.196
   30    HA   LYS 924           HA       LYS 924  -7.832  -9.270   5.127
   31   1HB   LYS 924          HB1       LYS 924  -7.032 -11.063   6.948
   32   2HB   LYS 924          HB2       LYS 924  -5.462 -10.399   6.530
   33   1HG   LYS 924          HG1       LYS 924  -7.796  -8.737   7.450
   34   2HG   LYS 924          HG2       LYS 924  -6.546  -9.371   8.521
   35   1HD   LYS 924          HD1       LYS 924  -4.862  -8.178   7.106
   36   2HD   LYS 924          HD2       LYS 924  -6.208  -7.420   6.253
   37   1HE   LYS 924          HE1       LYS 924  -5.368  -5.927   7.950
   38   2HE   LYS 924          HE2       LYS 924  -6.986  -6.477   8.389
   39   1HZ   LYS 924          HZ1       LYS 924  -6.145  -7.886  10.034
   40   2HZ   LYS 924          HZ2       LYS 924  -4.557  -7.816   9.433
   41   3HZ   LYS 924          HZ3       LYS 924  -5.234  -6.464  10.203
   42    H    VAL 925           H        VAL 925  -5.368 -11.178   3.621
   43    HA   VAL 925           HA       VAL 925  -3.384  -9.295   3.153
   44    HB   VAL 925           HB       VAL 925  -2.907 -10.706   1.074
   45   1HG1  VAL 925          1HG1      VAL 925  -2.031 -12.554   2.423
   46   2HG1  VAL 925          2HG1      VAL 925  -1.744 -10.996   3.201
   47   3HG1  VAL 925          3HG1      VAL 925  -3.041 -12.045   3.777
   48   1HG2  VAL 925          1HG2      VAL 925  -4.012 -12.905   1.019
   49   2HG2  VAL 925          2HG2      VAL 925  -5.105 -12.374   2.299
   50   3HG2  VAL 925          3HG2      VAL 925  -5.146 -11.586   0.723
   51    H    TYR 926           H        TYR 926  -6.236 -10.119   1.054
   52    HA   TYR 926           HA       TYR 926  -5.417  -8.077  -0.860
   53   1HB   TYR 926          HB1       TYR 926  -6.558 -10.083  -1.636
   54   2HB   TYR 926          HB2       TYR 926  -7.929  -9.766  -0.583
   55    HD1  TYR 926           HD1      TYR 926  -6.050  -8.308  -3.449
   56    HD2  TYR 926           HD2      TYR 926  -9.760  -8.618  -1.395
   57    HE1  TYR 926           HE1      TYR 926  -7.151  -7.072  -5.265
   58    HE2  TYR 926           HE2      TYR 926 -10.875  -7.378  -3.206
   59    HH   TYR 926           HH       TYR 926  -9.369  -6.794  -6.214
   60    H    GLU 927           H        GLU 927  -7.196  -8.290   2.021
   61    HA   GLU 927           HA       GLU 927  -9.041  -6.160   1.524
   62   1HB   GLU 927          HB1       GLU 927  -8.351  -7.891   3.877
   63   2HB   GLU 927          HB2       GLU 927  -9.438  -6.531   4.062
   64   1HG   GLU 927          HG1       GLU 927 -10.848  -7.521   2.252
   65   2HG   GLU 927          HG2       GLU 927  -9.797  -8.937   2.305
   66    H    ASN 928           H        ASN 928  -6.254  -6.478   3.783
   67    HA   ASN 928           HA       ASN 928  -6.523  -3.742   4.579
   68   1HB   ASN 928          HB1       ASN 928  -5.406  -5.685   5.878
   69   2HB   ASN 928          HB2       ASN 928  -3.986  -5.323   4.906
   70   1HD2  ASN 928          2HD2      ASN 928  -4.354  -2.454   4.850
   71   2HD2  ASN 928          1HD2      ASN 928  -4.009  -1.881   6.449
   72    H    VAL 929           H        VAL 929  -4.594  -5.460   2.201
   73    HA   VAL 929           HA       VAL 929  -2.966  -3.316   1.456
   74    HB   VAL 929           HB       VAL 929  -2.672  -5.704   0.749
   75   1HG1  VAL 929          1HG1      VAL 929  -4.738  -4.954  -1.301
   76   2HG1  VAL 929          2HG1      VAL 929  -3.726  -6.397  -1.347
   77   3HG1  VAL 929          3HG1      VAL 929  -4.894  -6.182  -0.045
   78   1HG2  VAL 929          1HG2      VAL 929  -1.648  -5.099  -1.382
   79   2HG2  VAL 929          2HG2      VAL 929  -2.537  -3.575  -1.370
   80   3HG2  VAL 929          3HG2      VAL 929  -1.323  -3.900  -0.131
   81    H    THR 930           H        THR 930  -6.240  -4.190   0.283
   82    HA   THR 930           HA       THR 930  -6.395  -1.940  -1.464
   83    HB   THR 930           HB       THR 930  -8.933  -2.243  -1.156
   84    HG1  THR 930           HG1      THR 930  -8.336  -4.808  -0.192
   85   1HG2  THR 930          1HG2      THR 930  -7.276  -4.527  -2.218
   86   2HG2  THR 930          2HG2      THR 930  -8.978  -4.240  -2.586
   87   3HG2  THR 930          3HG2      THR 930  -7.753  -3.080  -3.106
   88    H    GLY 931           H        GLY 931  -6.969  -2.515   1.904
   89   1HA   GLY 931          HA1       GLY 931  -8.050  -0.082   2.705
   90   2HA   GLY 931          HA2       GLY 931  -6.954  -1.053   3.678
   91    H    LEU 932           H        LEU 932  -4.719  -0.838   1.760
   92    HA   LEU 932           HA       LEU 932  -3.619   1.645   2.604
   93   1HB   LEU 932          HB1       LEU 932  -2.407  -0.547   1.893
   94   2HB   LEU 932          HB2       LEU 932  -2.584   0.061   0.261
   95    HG   LEU 932           HG       LEU 932  -1.114   1.512   2.474
   96   1HD1  LEU 932          1HD1      LEU 932  -0.039  -0.114   0.178
   97   2HD1  LEU 932          2HD1      LEU 932   0.923   0.845   1.304
   98   3HD1  LEU 932          3HD1      LEU 932   0.020  -0.555   1.884
   99   1HD2  LEU 932          1HD2      LEU 932  -1.227   2.026  -0.496
  100   2HD2  LEU 932          2HD2      LEU 932  -1.986   3.010   0.754
  101   3HD2  LEU 932          3HD2      LEU 932  -0.228   2.899   0.667
  102    H    VAL 933           H        VAL 933  -4.784   0.463  -0.551
  103    HA   VAL 933           HA       VAL 933  -4.642   2.869  -1.956
  104    HB   VAL 933           HB       VAL 933  -6.816   0.793  -2.243
  105   1HG1  VAL 933          1HG1      VAL 933  -6.866   1.522  -4.582
  106   2HG1  VAL 933          2HG1      VAL 933  -7.254   2.841  -3.478
  107   3HG1  VAL 933          3HG1      VAL 933  -5.658   2.754  -4.222
  108   1HG2  VAL 933          1HG2      VAL 933  -5.368  -0.307  -3.865
  109   2HG2  VAL 933          2HG2      VAL 933  -4.092   0.864  -3.533
  110   3HG2  VAL 933          3HG2      VAL 933  -4.609  -0.257  -2.274
  111    H    LYS 934           H        LYS 934  -7.272   1.569   0.017
  112    HA   LYS 934           HA       LYS 934  -9.085   3.657  -0.220
  113   1HB   LYS 934          HB1       LYS 934  -8.657   1.391   1.569
  114   2HB   LYS 934          HB2       LYS 934  -9.389   2.759   2.387
  115   1HG   LYS 934          HG1       LYS 934 -11.195   1.487   1.686
  116   2HG   LYS 934          HG2       LYS 934 -11.093   2.765   0.481
  117   1HD   LYS 934          HD1       LYS 934  -9.931   0.006   0.116
  118   2HD   LYS 934          HD2       LYS 934 -11.547   0.466  -0.415
  119   1HE   LYS 934          HE1       LYS 934 -10.417   2.312  -1.742
  120   2HE   LYS 934          HE2       LYS 934  -8.896   1.486  -1.400
  121   1HZ   LYS 934          HZ1       LYS 934  -9.472   0.546  -3.389
  122   2HZ   LYS 934          HZ2       LYS 934 -10.206  -0.554  -2.330
  123   3HZ   LYS 934          HZ3       LYS 934 -11.140   0.633  -3.089
  124    H    ALA 935           H        ALA 935  -6.208   3.365   1.756
  125    HA   ALA 935           HA       ALA 935  -6.828   5.658   3.372
  126   1HB   ALA 935          HB1       ALA 935  -5.498   3.802   4.243
  127   2HB   ALA 935          HB2       ALA 935  -4.223   4.184   3.085
  128   3HB   ALA 935          HB3       ALA 935  -4.642   5.342   4.347
  129    H    VAL 936           H        VAL 936  -5.028   5.077   0.402
  130    HA   VAL 936           HA       VAL 936  -4.125   7.818   0.409
  131    HB   VAL 936           HB       VAL 936  -2.709   6.122  -0.664
  132   1HG1  VAL 936          1HG1      VAL 936  -4.457   4.685  -1.593
  133   2HG1  VAL 936          2HG1      VAL 936  -4.890   5.947  -2.746
  134   3HG1  VAL 936          3HG1      VAL 936  -3.304   5.180  -2.834
  135   1HG2  VAL 936          1HG2      VAL 936  -3.730   8.211  -2.591
  136   2HG2  VAL 936          2HG2      VAL 936  -2.508   8.454  -1.343
  137   3HG2  VAL 936          3HG2      VAL 936  -2.181   7.371  -2.696
  138    H    ILE 937           H        ILE 937  -6.932   6.099  -0.427
  139    HA   ILE 937           HA       ILE 937  -8.124   8.209  -1.939
  140    HB   ILE 937           HB       ILE 937  -9.431   6.069  -0.251
  141   1HG1  ILE 937          1HG1      ILE 937  -8.201   5.149  -2.145
  142   2HG1  ILE 937          2HG1      ILE 937  -9.934   5.008  -2.425
  143   1HG2  ILE 937          1HG2      ILE 937 -10.677   7.975  -2.230
  144   2HG2  ILE 937          2HG2      ILE 937 -11.498   6.617  -1.460
  145   3HG2  ILE 937          3HG2      ILE 937 -10.920   7.968  -0.482
  146   1HD1  ILE 937          1HD1      ILE 937  -9.855   6.943  -3.905
  147   2HD1  ILE 937          2HD1      ILE 937  -8.122   7.098  -3.613
  148   3HD1  ILE 937          3HD1      ILE 937  -8.755   5.673  -4.441
  149    H    GLU 938           H        GLU 938  -8.020   7.303   1.486
  150    HA   GLU 938           HA       GLU 938  -9.276   9.438   2.688
  151   1HB   GLU 938          HB1       GLU 938  -6.656   8.178   3.552
  152   2HB   GLU 938          HB2       GLU 938  -7.694   9.165   4.572
  153   1HG   GLU 938          HG1       GLU 938  -8.594   6.590   3.308
  154   2HG   GLU 938          HG2       GLU 938  -7.874   6.690   4.914
  155    H    MET 939           H        MET 939  -6.145   9.335   1.141
  156    HA   MET 939           HA       MET 939  -5.166  11.862   1.902
  157   1HB   MET 939          HB1       MET 939  -3.629  10.424   0.832
  158   2HB   MET 939          HB2       MET 939  -4.713  10.130  -0.521
  159   1HG   MET 939          HG1       MET 939  -4.401  12.462  -1.245
  160   2HG   MET 939          HG2       MET 939  -3.264  12.701   0.080
  161   1HE   MET 939          HE1       MET 939  -0.907  11.521   0.240
  162   2HE   MET 939          HE2       MET 939  -1.738   9.968   0.170
  163   3HE   MET 939          HE3       MET 939  -0.363  10.280  -0.889
  164    H    SER 940           H        SER 940  -7.157  10.845  -0.841
  165    HA   SER 940           HA       SER 940  -7.434  13.443  -1.946
  166   1HB   SER 940          HB1       SER 940  -9.195  11.004  -2.267
  167   2HB   SER 940          HB2       SER 940  -9.249  12.445  -3.281
  168    HG   SER 940           HG       SER 940  -6.847  10.999  -2.939
  169    H    SER 941           H        SER 941  -9.096  11.741   0.616
  170    HA   SER 941           HA       SER 941 -11.443  13.425   0.524
  171   1HB   SER 941          HB1       SER 941 -10.495  11.574   2.730
  172   2HB   SER 941          HB2       SER 941 -12.120  12.232   2.539
  173    HG   SER 941           HG       SER 941 -11.145   9.996   1.518
  174    H    LYS 942           H        LYS 942  -8.422  13.235   2.168
  175    HA   LYS 942           HA       LYS 942  -8.792  15.027   4.265
  176   1HB   LYS 942          HB1       LYS 942  -6.570  13.749   2.858
  177   2HB   LYS 942          HB2       LYS 942  -6.157  15.305   3.573
  178   1HG   LYS 942          HG1       LYS 942  -7.535  13.130   5.109
  179   2HG   LYS 942          HG2       LYS 942  -5.774  13.289   5.019
  180   1HD   LYS 942          HD1       LYS 942  -5.821  15.420   6.008
  181   2HD   LYS 942          HD2       LYS 942  -7.578  15.542   5.830
  182   1HE   LYS 942          HE1       LYS 942  -7.796  13.617   7.397
  183   2HE   LYS 942          HE2       LYS 942  -6.051  13.663   7.639
  184   1HZ   LYS 942          HZ1       LYS 942  -6.358  16.016   8.387
  185   2HZ   LYS 942          HZ2       LYS 942  -8.031  15.742   8.366
  186   3HZ   LYS 942          HZ3       LYS 942  -7.042  14.847   9.409
  187    H    ILE 943           H        ILE 943  -7.481  15.604   1.018
  188    HA   ILE 943           HA       ILE 943  -7.001  18.338   1.520
  189    HB   ILE 943           HB       ILE 943  -5.720  17.190  -0.179
  190   1HG1  ILE 943          1HG1      ILE 943  -5.952  18.763  -2.081
  191   2HG1  ILE 943          2HG1      ILE 943  -7.489  19.313  -1.420
  192   1HG2  ILE 943          1HG2      ILE 943  -6.678  16.426  -2.276
  193   2HG2  ILE 943          2HG2      ILE 943  -7.419  15.602  -0.906
  194   3HG2  ILE 943          3HG2      ILE 943  -8.287  16.898  -1.728
  195   1HD1  ILE 943          1HD1      ILE 943  -4.799  19.585  -0.097
  196   2HD1  ILE 943          2HD1      ILE 943  -5.695  20.868  -0.909
  197   3HD1  ILE 943          3HD1      ILE 943  -6.335  20.141   0.566
  198    H    GLN 944           H        GLN 944  -9.813  16.580   0.508
  199    HA   GLN 944           HA       GLN 944 -11.257  18.512  -0.839
  200   1HB   GLN 944          HB1       GLN 944 -12.225  16.376   1.051
  201   2HB   GLN 944          HB2       GLN 944 -13.315  17.392   0.117
  202   1HG   GLN 944          HG1       GLN 944 -12.358  16.566  -1.946
  203   2HG   GLN 944          HG2       GLN 944 -11.199  15.594  -1.043
  204   1HE2  GLN 944          2HE2      GLN 944 -11.896  13.683  -1.919
  205   2HE2  GLN 944          1HE2      GLN 944 -13.418  12.960  -1.528
  206    HA   PRO 945           HA       PRO 945 -12.872  20.642   2.950
  207   1HB   PRO 945          HB1       PRO 945 -13.010  19.480   5.371
  208   2HB   PRO 945          HB2       PRO 945 -14.090  19.040   4.044
  209   1HG   PRO 945          HG1       PRO 945 -11.900  17.511   5.241
  210   2HG   PRO 945          HG2       PRO 945 -13.224  16.951   4.210
  211   1HD   PRO 945          HD1       PRO 945 -10.484  17.610   3.484
  212   2HD   PRO 945          HD2       PRO 945 -11.736  16.815   2.511
  213    H    ALA 946           H        ALA 946  -9.643  19.894   3.040
  214    HA   ALA 946           HA       ALA 946  -9.206  21.914   5.130
  215   1HB   ALA 946          HB1       ALA 946  -7.644  19.343   5.015
  216   2HB   ALA 946          HB2       ALA 946  -7.506  20.624   6.220
  217   3HB   ALA 946          HB3       ALA 946  -8.977  19.657   6.129
  218    HA   PRO 947           HA       PRO 947  -5.905  23.346   2.435
  219   1HB   PRO 947          HB1       PRO 947  -4.510  24.613   4.589
  220   2HB   PRO 947          HB2       PRO 947  -5.640  25.353   3.456
  221   1HG   PRO 947          HG1       PRO 947  -6.085  25.030   6.170
  222   2HG   PRO 947          HG2       PRO 947  -7.345  25.297   4.953
  223   1HD   PRO 947          HD1       PRO 947  -6.463  22.751   6.244
  224   2HD   PRO 947          HD2       PRO 947  -8.094  23.273   5.772
  225    HA   PRO 948           HA       PRO 948  -2.269  20.938   2.237
  226   1HB   PRO 948          HB1       PRO 948  -0.554  23.239   3.084
  227   2HB   PRO 948          HB2       PRO 948  -0.359  22.131   1.719
  228   1HG   PRO 948          HG1       PRO 948  -1.320  24.545   1.292
  229   2HG   PRO 948          HG2       PRO 948  -2.057  23.148   0.485
  230   1HD   PRO 948          HD1       PRO 948  -3.046  24.728   2.822
  231   2HD   PRO 948          HD2       PRO 948  -3.961  24.003   1.484
  232    H    GLU 949           H        GLU 949  -2.595  22.667   5.242
  233    HA   GLU 949           HA       GLU 949  -0.803  21.318   6.871
  234   1HB   GLU 949          HB1       GLU 949  -3.574  22.388   7.340
  235   2HB   GLU 949          HB2       GLU 949  -2.709  21.550   8.618
  236   1HG   GLU 949          HG1       GLU 949  -2.522  23.997   8.759
  237   2HG   GLU 949          HG2       GLU 949  -0.964  23.191   8.598
  238    H    GLU 950           H        GLU 950  -3.518  20.105   5.122
  239    HA   GLU 950           HA       GLU 950  -3.504  17.626   6.662
  240   1HB   GLU 950          HB1       GLU 950  -5.350  16.908   5.118
  241   2HB   GLU 950          HB2       GLU 950  -5.719  18.254   6.182
  242   1HG   GLU 950          HG1       GLU 950  -6.632  18.543   3.933
  243   2HG   GLU 950          HG2       GLU 950  -5.497  19.815   4.370
  244    H    TYR 951           H        TYR 951  -2.112  18.933   3.816
  245    HA   TYR 951           HA       TYR 951  -1.667  16.751   2.199
  246   1HB   TYR 951          HB1       TYR 951   0.148  19.009   2.994
  247   2HB   TYR 951          HB2       TYR 951   0.753  17.710   1.980
  248    HD1  TYR 951           HD1      TYR 951  -2.463  17.814   0.950
  249    HD2  TYR 951           HD2      TYR 951   1.008  20.263   0.911
  250    HE1  TYR 951           HE1      TYR 951  -3.301  18.958  -1.055
  251    HE2  TYR 951           HE2      TYR 951   0.187  21.423  -1.077
  252    HH   TYR 951           HH       TYR 951  -2.982  21.204  -2.175
  253    H    VAL 952           H        VAL 952  -0.012  17.691   5.147
  254    HA   VAL 952           HA       VAL 952   1.637  15.366   5.134
  255    HB   VAL 952           HB       VAL 952   2.762  16.813   6.389
  256   1HG1  VAL 952          1HG1      VAL 952   0.145  17.944   7.364
  257   2HG1  VAL 952          2HG1      VAL 952   1.721  18.500   7.927
  258   3HG1  VAL 952          3HG1      VAL 952   1.284  18.664   6.226
  259   1HG2  VAL 952          1HG2      VAL 952   0.980  15.638   8.523
  260   2HG2  VAL 952          2HG2      VAL 952   2.497  14.973   7.915
  261   3HG2  VAL 952          3HG2      VAL 952   2.497  16.482   8.828
  262    HA   PRO 953           HA       PRO 953  -1.532  13.484   8.437
  263   1HB   PRO 953          HB1       PRO 953  -3.887  15.050   7.506
  264   2HB   PRO 953          HB2       PRO 953  -3.541  14.382   9.110
  265   1HG   PRO 953          HG1       PRO 953  -3.192  16.957   8.690
  266   2HG   PRO 953          HG2       PRO 953  -1.969  16.041   9.599
  267   1HD   PRO 953          HD1       PRO 953  -1.914  16.972   6.752
  268   2HD   PRO 953          HD2       PRO 953  -0.615  16.964   7.960
  269    H    MET 954           H        MET 954  -2.634  14.540   5.185
  270    HA   MET 954           HA       MET 954  -4.308  12.294   4.813
  271   1HB   MET 954          HB1       MET 954  -4.487  12.893   2.516
  272   2HB   MET 954          HB2       MET 954  -4.456  14.378   3.446
  273   1HG   MET 954          HG1       MET 954  -2.151  14.757   2.808
  274   2HG   MET 954          HG2       MET 954  -2.125  13.225   1.933
  275   1HE   MET 954          HE1       MET 954  -1.231  15.852   0.477
  276   2HE   MET 954          HE2       MET 954  -1.370  14.304  -0.357
  277   3HE   MET 954          HE3       MET 954  -2.115  15.747  -1.045
  278    H    VAL 955           H        VAL 955  -0.977  12.929   3.774
  279    HA   VAL 955           HA       VAL 955  -0.514  10.305   2.909
  280    HB   VAL 955           HB       VAL 955   1.452  12.327   3.986
  281   1HG1  VAL 955          1HG1      VAL 955   3.183  10.940   2.935
  282   2HG1  VAL 955          2HG1      VAL 955   2.366  10.089   4.246
  283   3HG1  VAL 955          3HG1      VAL 955   1.967   9.715   2.569
  284   1HG2  VAL 955          1HG2      VAL 955   0.279  12.987   1.947
  285   2HG2  VAL 955          2HG2      VAL 955   1.982  12.655   1.624
  286   3HG2  VAL 955          3HG2      VAL 955   0.750  11.471   1.180
  287    H    LYS 956           H        LYS 956  -0.578  11.698   6.111
  288    HA   LYS 956           HA       LYS 956   0.707   9.582   7.489
  289   1HB   LYS 956          HB1       LYS 956   0.047  11.765   8.511
  290   2HB   LYS 956          HB2       LYS 956  -1.631  11.254   8.440
  291   1HG   LYS 956          HG1       LYS 956  -0.151   9.237   9.782
  292   2HG   LYS 956          HG2       LYS 956   0.268  10.799  10.484
  293   1HD   LYS 956          HD1       LYS 956  -1.587  10.098  11.725
  294   2HD   LYS 956          HD2       LYS 956  -2.262  11.227  10.549
  295   1HE   LYS 956          HE1       LYS 956  -2.791   9.242   9.104
  296   2HE   LYS 956          HE2       LYS 956  -2.331   8.218  10.463
  297   1HZ   LYS 956          HZ1       LYS 956  -4.654   8.457  10.559
  298   2HZ   LYS 956          HZ2       LYS 956  -4.050   9.475  11.778
  299   3HZ   LYS 956          HZ3       LYS 956  -4.583  10.130  10.305
  300    H    GLU 957           H        GLU 957  -2.615  10.108   6.472
  301    HA   GLU 957           HA       GLU 957  -3.839   7.799   7.353
  302   1HB   GLU 957          HB1       GLU 957  -4.313   9.045   4.626
  303   2HB   GLU 957          HB2       GLU 957  -5.447   8.071   5.546
  304   1HG   GLU 957          HG1       GLU 957  -4.434  10.800   6.308
  305   2HG   GLU 957          HG2       GLU 957  -6.015  10.430   5.625
  306    H    VAL 958           H        VAL 958  -1.972   8.242   4.340
  307    HA   VAL 958           HA       VAL 958  -2.245   5.520   3.531
  308    HB   VAL 958           HB       VAL 958  -0.023   7.226   2.492
  309   1HG1  VAL 958          1HG1      VAL 958  -0.666   6.184   0.376
  310   2HG1  VAL 958          2HG1      VAL 958  -0.312   4.984   1.620
  311   3HG1  VAL 958          3HG1      VAL 958  -1.985   5.348   1.195
  312   1HG2  VAL 958          1HG2      VAL 958  -2.945   7.677   1.931
  313   2HG2  VAL 958          2HG2      VAL 958  -1.805   8.824   2.627
  314   3HG2  VAL 958          3HG2      VAL 958  -1.632   8.324   0.945
  315    H    GLY 959           H        GLY 959   0.137   7.279   5.446
  316   1HA   GLY 959          HA1       GLY 959   2.198   5.327   5.241
  317   2HA   GLY 959          HA2       GLY 959   2.055   6.537   6.509
  318    H    LEU 960           H        LEU 960  -0.241   5.903   7.755
  319    HA   LEU 960           HA       LEU 960   0.193   3.529   9.180
  320   1HB   LEU 960          HB1       LEU 960  -2.162   5.350   8.875
  321   2HB   LEU 960          HB2       LEU 960  -2.352   3.834   9.731
  322    HG   LEU 960           HG       LEU 960  -0.612   4.518  11.333
  323   1HD1  LEU 960          1HD1      LEU 960   0.725   5.977   9.951
  324   2HD1  LEU 960          2HD1      LEU 960  -0.615   7.112   9.801
  325   3HD1  LEU 960          3HD1      LEU 960   0.152   6.857  11.367
  326   1HD2  LEU 960          1HD2      LEU 960  -2.936   4.965  11.846
  327   2HD2  LEU 960          2HD2      LEU 960  -1.916   6.267  12.459
  328   3HD2  LEU 960          3HD2      LEU 960  -2.855   6.501  10.983
  329    H    ALA 961           H        ALA 961  -1.282   4.094   6.159
  330    HA   ALA 961           HA       ALA 961  -2.888   1.797   5.940
  331   1HB   ALA 961          HB1       ALA 961  -3.019   3.663   4.366
  332   2HB   ALA 961          HB2       ALA 961  -1.452   3.199   3.703
  333   3HB   ALA 961          HB3       ALA 961  -2.830   2.109   3.555
  334    H    LEU 962           H        LEU 962   0.535   2.254   4.754
  335    HA   LEU 962           HA       LEU 962   0.682  -0.553   4.212
  336   1HB   LEU 962          HB1       LEU 962   2.035   0.989   2.941
  337   2HB   LEU 962          HB2       LEU 962   2.846   1.538   4.396
  338    HG   LEU 962           HG       LEU 962   4.110  -0.034   2.811
  339   1HD1  LEU 962          1HD1      LEU 962   3.925  -0.752   5.728
  340   2HD1  LEU 962          2HD1      LEU 962   5.246  -1.176   4.641
  341   3HD1  LEU 962          3HD1      LEU 962   4.931   0.515   5.029
  342   1HD2  LEU 962          1HD2      LEU 962   2.310  -2.038   4.158
  343   2HD2  LEU 962          2HD2      LEU 962   2.361  -1.655   2.438
  344   3HD2  LEU 962          3HD2      LEU 962   3.745  -2.430   3.211
  345    H    ARG 963           H        ARG 963   1.498   1.438   7.064
  346    HA   ARG 963           HA       ARG 963   2.713  -0.471   8.625
  347   1HB   ARG 963          HB1       ARG 963   0.735   1.685   9.295
  348   2HB   ARG 963          HB2       ARG 963   1.359   0.620  10.544
  349   1HG   ARG 963          HG1       ARG 963   3.641   1.339  10.006
  350   2HG   ARG 963          HG2       ARG 963   2.994   2.428   8.775
  351   1HD   ARG 963          HD1       ARG 963   3.512   3.530  10.962
  352   2HD   ARG 963          HD2       ARG 963   1.844   3.723  10.423
  353    HE   ARG 963           HE       ARG 963   2.255   1.471  12.182
  354   1HH1  ARG 963          2HH1      ARG 963   1.688   4.933  12.089
  355   2HH1  ARG 963          1HH1      ARG 963   0.799   4.951  13.582
  356   1HH2  ARG 963          2HH2      ARG 963   1.082   1.505  14.155
  357   2HH2  ARG 963          1HH2      ARG 963   0.455   3.018  14.748
  358    H    THR 964           H        THR 964  -0.822   0.094   8.637
  359    HA   THR 964           HA       THR 964  -1.532  -2.254   9.933
  360    HB   THR 964           HB       THR 964  -3.729  -2.099   8.646
  361    HG1  THR 964           HG1      THR 964  -2.620   0.365   7.743
  362   1HG2  THR 964          1HG2      THR 964  -4.444  -0.089   9.829
  363   2HG2  THR 964          2HG2      THR 964  -3.411  -1.093  10.848
  364   3HG2  THR 964          3HG2      THR 964  -2.759   0.362  10.092
  365    H    LEU 965           H        LEU 965  -0.844  -1.706   6.551
  366    HA   LEU 965           HA       LEU 965  -1.598  -4.245   5.594
  367   1HB   LEU 965          HB1       LEU 965  -1.316  -2.306   4.144
  368   2HB   LEU 965          HB2       LEU 965   0.401  -2.276   4.494
  369    HG   LEU 965           HG       LEU 965   0.753  -4.335   3.308
  370   1HD1  LEU 965          1HD1      LEU 965  -2.241  -4.421   2.975
  371   2HD1  LEU 965          2HD1      LEU 965  -1.092  -5.518   2.212
  372   3HD1  LEU 965          3HD1      LEU 965  -1.271  -5.508   3.966
  373   1HD2  LEU 965          1HD2      LEU 965   0.670  -2.298   1.977
  374   2HD2  LEU 965          2HD2      LEU 965   0.050  -3.674   1.063
  375   3HD2  LEU 965          3HD2      LEU 965  -1.070  -2.500   1.759
  376    H    LEU 966           H        LEU 966   1.249  -3.081   7.181
  377    HA   LEU 966           HA       LEU 966   3.026  -5.161   6.467
  378   1HB   LEU 966          HB1       LEU 966   3.743  -3.020   7.478
  379   2HB   LEU 966          HB2       LEU 966   3.002  -3.501   8.990
  380    HG   LEU 966           HG       LEU 966   4.584  -5.401   9.135
  381   1HD1  LEU 966          1HD1      LEU 966   6.522  -5.458   7.652
  382   2HD1  LEU 966          2HD1      LEU 966   5.023  -5.694   6.757
  383   3HD1  LEU 966          3HD1      LEU 966   5.843  -4.134   6.705
  384   1HD2  LEU 966          1HD2      LEU 966   5.054  -3.267  10.246
  385   2HD2  LEU 966          2HD2      LEU 966   6.534  -4.067   9.717
  386   3HD2  LEU 966          3HD2      LEU 966   5.891  -2.704   8.800
  387    H    ALA 967           H        ALA 967   0.616  -4.825   9.021
  388    HA   ALA 967           HA       ALA 967   1.153  -7.240  10.380
  389   1HB   ALA 967          HB1       ALA 967  -0.363  -5.504  11.247
  390   2HB   ALA 967          HB2       ALA 967  -1.523  -5.893   9.976
  391   3HB   ALA 967          HB3       ALA 967  -1.130  -7.091  11.210
  392    H    THR 968           H        THR 968  -0.786  -6.470   7.563
  393    HA   THR 968           HA       THR 968  -1.726  -9.088   7.020
  394    HB   THR 968           HB       THR 968  -1.385  -6.612   5.358
  395    HG1  THR 968           HG1      THR 968  -3.828  -7.829   5.530
  396   1HG2  THR 968          1HG2      THR 968  -2.485  -9.245   4.390
  397   2HG2  THR 968          2HG2      THR 968  -2.500  -7.720   3.506
  398   3HG2  THR 968          3HG2      THR 968  -0.967  -8.511   3.867
  399    H    VAL 969           H        VAL 969   1.109  -7.281   5.937
  400    HA   VAL 969           HA       VAL 969   2.259  -9.136   4.255
  401    HB   VAL 969           HB       VAL 969   3.646  -7.284   6.203
  402   1HG1  VAL 969          1HG1      VAL 969   5.647  -7.561   4.809
  403   2HG1  VAL 969          2HG1      VAL 969   5.171  -9.074   5.581
  404   3HG1  VAL 969          3HG1      VAL 969   4.816  -8.803   3.874
  405   1HG2  VAL 969          1HG2      VAL 969   3.980  -5.878   4.225
  406   2HG2  VAL 969          2HG2      VAL 969   3.072  -7.034   3.253
  407   3HG2  VAL 969          3HG2      VAL 969   2.268  -6.148   4.549
  408    H    ASP 970           H        ASP 970   2.263  -9.079   7.781
  409    HA   ASP 970           HA       ASP 970   4.053 -11.284   8.083
  410   1HB   ASP 970          HB1       ASP 970   3.710  -9.607   9.856
  411   2HB   ASP 970          HB2       ASP 970   2.042 -10.138  10.037
  412    H    GLU 971           H        GLU 971   0.635 -11.058   7.563
  413    HA   GLU 971           HA       GLU 971  -0.002 -13.786   8.104
  414   1HB   GLU 971          HB1       GLU 971  -1.162 -12.131   5.850
  415   2HB   GLU 971          HB2       GLU 971  -1.921 -13.472   6.691
  416   1HG   GLU 971          HG1       GLU 971  -1.185 -11.000   8.187
  417   2HG   GLU 971          HG2       GLU 971  -2.642 -11.034   7.193
  418    H    SER 972           H        SER 972   0.898 -12.056   5.207
  419    HA   SER 972           HA       SER 972   1.131 -14.280   3.510
  420   1HB   SER 972          HB1       SER 972   0.696 -12.071   2.638
  421   2HB   SER 972          HB2       SER 972   2.233 -11.476   3.286
  422    HG   SER 972           HG       SER 972   3.143 -13.267   1.899
  423    H    LEU 973           H        LEU 973   3.343 -12.876   5.799
  424    HA   LEU 973           HA       LEU 973   5.763 -13.697   4.636
  425   1HB   LEU 973          HB1       LEU 973   5.020 -13.108   7.489
  426   2HB   LEU 973          HB2       LEU 973   6.637 -13.618   7.042
  427    HG   LEU 973           HG       LEU 973   5.235 -11.144   6.024
  428   1HD1  LEU 973          1HD1      LEU 973   6.872  -9.927   7.356
  429   2HD1  LEU 973          2HD1      LEU 973   5.885 -10.975   8.374
  430   3HD1  LEU 973          3HD1      LEU 973   7.531 -11.449   7.955
  431   1HD2  LEU 973          1HD2      LEU 973   6.755 -12.100   4.369
  432   2HD2  LEU 973          2HD2      LEU 973   7.385 -10.585   5.016
  433   3HD2  LEU 973          3HD2      LEU 973   8.051 -12.125   5.565
  434    HA   PRO 974           HA       PRO 974   5.439 -17.936   7.053
  435   1HB   PRO 974          HB1       PRO 974   2.461 -18.018   7.216
  436   2HB   PRO 974          HB2       PRO 974   3.665 -18.731   8.297
  437   1HG   PRO 974          HG1       PRO 974   2.359 -16.537   9.012
  438   2HG   PRO 974          HG2       PRO 974   4.088 -16.714   9.369
  439   1HD   PRO 974          HD1       PRO 974   2.749 -15.101   7.237
  440   2HD   PRO 974          HD2       PRO 974   4.177 -14.710   8.215
  441    H    VAL 975           H        VAL 975   2.987 -16.544   4.919
  442    HA   VAL 975           HA       VAL 975   2.854 -18.922   3.276
  443    HB   VAL 975           HB       VAL 975   2.074 -16.190   2.320
  444   1HG1  VAL 975          1HG1      VAL 975   1.052 -18.975   1.794
  445   2HG1  VAL 975          2HG1      VAL 975   0.360 -17.498   1.122
  446   3HG1  VAL 975          3HG1      VAL 975   2.006 -17.976   0.696
  447   1HG2  VAL 975          1HG2      VAL 975   1.126 -16.468   4.564
  448   2HG2  VAL 975          2HG2      VAL 975  -0.127 -16.518   3.323
  449   3HG2  VAL 975          3HG2      VAL 975   0.430 -18.014   4.075
  450    H    LEU 976           H        LEU 976   5.107 -16.410   3.583
  451    HA   LEU 976           HA       LEU 976   6.189 -16.358   0.988
  452   1HB   LEU 976          HB1       LEU 976   6.752 -14.599   2.438
  453   2HB   LEU 976          HB2       LEU 976   7.325 -15.680   3.691
  454    HG   LEU 976           HG       LEU 976   8.783 -15.511   1.070
  455   1HD1  LEU 976          1HD1      LEU 976   9.119 -13.627   3.401
  456   2HD1  LEU 976          2HD1      LEU 976  10.157 -13.714   1.978
  457   3HD1  LEU 976          3HD1      LEU 976   8.478 -13.202   1.813
  458   1HD2  LEU 976          1HD2      LEU 976  10.713 -16.027   2.485
  459   2HD2  LEU 976          2HD2      LEU 976   9.673 -16.025   3.909
  460   3HD2  LEU 976          3HD2      LEU 976   9.450 -17.246   2.656
  461    HA   PRO 977           HA       PRO 977   9.264 -19.896   2.454
  462   1HB   PRO 977          HB1       PRO 977   7.538 -21.101   4.558
  463   2HB   PRO 977          HB2       PRO 977   9.299 -20.985   4.478
  464   1HG   PRO 977          HG1       PRO 977   7.912 -19.410   6.108
  465   2HG   PRO 977          HG2       PRO 977   9.319 -18.790   5.221
  466   1HD   PRO 977          HD1       PRO 977   6.408 -18.397   4.680
  467   2HD   PRO 977          HD2       PRO 977   7.750 -17.248   4.521
  468    H    ALA 978           H        ALA 978   5.749 -20.168   2.770
  469    HA   ALA 978           HA       ALA 978   5.471 -22.652   1.483
  470   1HB   ALA 978          HB1       ALA 978   3.153 -21.991   1.067
  471   2HB   ALA 978          HB2       ALA 978   3.645 -21.619   2.719
  472   3HB   ALA 978          HB3       ALA 978   3.545 -20.331   1.517
  473    H    SER 979           H        SER 979   4.900 -19.408   0.036
  474    HA   SER 979           HA       SER 979   6.121 -20.256  -2.439
  475   1HB   SER 979          HB1       SER 979   3.138 -20.069  -2.129
  476   2HB   SER 979          HB2       SER 979   3.901 -19.764  -3.697
  477    HG   SER 979           HG       SER 979   4.783 -22.041  -2.415
  478    H    THR 980           H        THR 980   4.253 -17.839  -0.701
  479    HA   THR 980           HA       THR 980   4.192 -15.792  -2.560
  480    HB   THR 980           HB       THR 980   4.476 -15.278   0.389
  481    HG1  THR 980           HG1      THR 980   2.272 -15.760   0.516
  482   1HG2  THR 980          1HG2      THR 980   4.378 -13.324  -1.107
  483   2HG2  THR 980          2HG2      THR 980   2.884 -13.942  -1.808
  484   3HG2  THR 980          3HG2      THR 980   2.924 -13.450  -0.115
  485    H    HIS 981           H        HIS 981   6.996 -16.880  -0.860
  486    HA   HIS 981           HA       HIS 981   8.484 -14.641  -0.409
  487   1HB   HIS 981          HB1       HIS 981  10.512 -15.994  -0.763
  488   2HB   HIS 981          HB2       HIS 981   9.299 -16.851   0.174
  489    HD1  HIS 981           HD1      HIS 981   8.563 -19.089  -0.676
  490    HD2  HIS 981           HD2      HIS 981  10.783 -16.972  -3.487
  491    HE1  HIS 981           HE1      HIS 981   9.001 -20.707  -2.556
  492    HE2  HIS 981           HE2      HIS 981  10.427 -19.437  -4.204
  493    H    ARG 982           H        ARG 982   7.557 -15.751  -3.517
  494    HA   ARG 982           HA       ARG 982   9.619 -14.295  -4.959
  495   1HB   ARG 982          HB1       ARG 982   6.981 -15.443  -5.903
  496   2HB   ARG 982          HB2       ARG 982   8.201 -14.742  -6.951
  497   1HG   ARG 982          HG1       ARG 982   9.740 -16.504  -6.448
  498   2HG   ARG 982          HG2       ARG 982   8.654 -17.161  -5.218
  499   1HD   ARG 982          HD1       ARG 982   6.998 -17.677  -6.904
  500   2HD   ARG 982          HD2       ARG 982   7.979 -16.907  -8.146
  501    HE   ARG 982           HE       ARG 982   9.666 -18.743  -7.496
  502   1HH1  ARG 982          2HH1      ARG 982   6.181 -19.129  -7.438
  503   2HH1  ARG 982          1HH1      ARG 982   6.230 -20.805  -7.910
  504   1HH2  ARG 982          2HH2      ARG 982   9.726 -20.950  -8.122
  505   2HH2  ARG 982          1HH2      ARG 982   8.242 -21.836  -8.295
  506    H    GLU 983           H        GLU 983   6.112 -13.931  -4.522
  507    HA   GLU 983           HA       GLU 983   6.084 -11.349  -5.718
  508   1HB   GLU 983          HB1       GLU 983   4.201 -13.288  -5.271
  509   2HB   GLU 983          HB2       GLU 983   3.759 -12.053  -4.104
  510   1HG   GLU 983          HG1       GLU 983   2.627 -11.181  -5.833
  511   2HG   GLU 983          HG2       GLU 983   4.216 -10.515  -6.260
  512    H    ILE 984           H        ILE 984   5.787 -12.525  -2.379
  513    HA   ILE 984           HA       ILE 984   4.873 -10.129  -1.284
  514    HB   ILE 984           HB       ILE 984   4.793 -12.256  -0.059
  515   1HG1  ILE 984          1HG1      ILE 984   5.421 -11.377   2.162
  516   2HG1  ILE 984          2HG1      ILE 984   6.348 -10.095   1.390
  517   1HG2  ILE 984          1HG2      ILE 984   6.972 -13.145  -0.657
  518   2HG2  ILE 984          2HG2      ILE 984   7.769 -11.874   0.268
  519   3HG2  ILE 984          3HG2      ILE 984   6.795 -13.089   1.096
  520   1HD1  ILE 984          1HD1      ILE 984   4.203  -9.287   2.167
  521   2HD1  ILE 984          2HD1      ILE 984   4.306  -9.208   0.409
  522   3HD1  ILE 984          3HD1      ILE 984   3.374 -10.492   1.181
  523    H    GLU 985           H        GLU 985   8.121 -11.193  -2.058
  524    HA   GLU 985           HA       GLU 985   9.341  -9.012  -0.676
  525   1HB   GLU 985          HB1       GLU 985  11.425  -9.728  -1.638
  526   2HB   GLU 985          HB2       GLU 985  10.540 -11.131  -1.065
  527   1HG   GLU 985          HG1       GLU 985  11.071 -12.012  -3.033
  528   2HG   GLU 985          HG2       GLU 985   9.756 -11.020  -3.663
  529    H    MET 986           H        MET 986   8.154  -9.526  -3.987
  530    HA   MET 986           HA       MET 986   9.629  -7.445  -5.137
  531   1HB   MET 986          HB1       MET 986   8.264  -7.536  -7.051
  532   2HB   MET 986          HB2       MET 986   8.429  -9.171  -6.443
  533   1HG   MET 986          HG1       MET 986   6.206  -9.130  -5.562
  534   2HG   MET 986          HG2       MET 986   6.034  -7.422  -5.963
  535   1HE   MET 986          HE1       MET 986   6.508 -10.700  -9.175
  536   2HE   MET 986          HE2       MET 986   7.838 -10.086  -8.192
  537   3HE   MET 986          HE3       MET 986   6.554 -11.035  -7.443
  538    H    ALA 987           H        ALA 987   6.285  -7.251  -3.914
  539    HA   ALA 987           HA       ALA 987   6.180  -4.443  -4.460
  540   1HB   ALA 987          HB1       ALA 987   4.185  -5.814  -4.773
  541   2HB   ALA 987          HB2       ALA 987   4.188  -6.208  -3.055
  542   3HB   ALA 987          HB3       ALA 987   3.919  -4.545  -3.577
  543    H    GLN 988           H        GLN 988   6.695  -6.546  -1.681
  544    HA   GLN 988           HA       GLN 988   6.124  -4.651   0.300
  545   1HB   GLN 988          HB1       GLN 988   6.404  -7.046   0.782
  546   2HB   GLN 988          HB2       GLN 988   8.121  -6.920   0.430
  547   1HG   GLN 988          HG1       GLN 988   8.306  -5.285   2.306
  548   2HG   GLN 988          HG2       GLN 988   6.628  -5.647   2.705
  549   1HE2  GLN 988          2HE2      GLN 988   7.000  -8.465   1.874
  550   2HE2  GLN 988          1HE2      GLN 988   7.849  -9.213   3.178
  551    H    LYS 989           H        LYS 989   9.208  -5.507  -1.249
  552    HA   LYS 989           HA       LYS 989  10.817  -3.582   0.037
  553   1HB   LYS 989          HB1       LYS 989  11.042  -4.868  -2.691
  554   2HB   LYS 989          HB2       LYS 989  12.284  -3.833  -2.001
  555   1HG   LYS 989          HG1       LYS 989  11.319  -6.249  -0.531
  556   2HG   LYS 989          HG2       LYS 989  12.532  -6.383  -1.805
  557   1HD   LYS 989          HD1       LYS 989  12.765  -4.583   0.603
  558   2HD   LYS 989          HD2       LYS 989  13.498  -6.185   0.470
  559   1HE   LYS 989          HE1       LYS 989  14.057  -3.808  -1.303
  560   2HE   LYS 989          HE2       LYS 989  15.122  -4.454  -0.055
  561   1HZ   LYS 989          HZ1       LYS 989  15.813  -5.215  -2.220
  562   2HZ   LYS 989          HZ2       LYS 989  15.242  -6.533  -1.323
  563   3HZ   LYS 989          HZ3       LYS 989  14.277  -5.858  -2.542
  564    H    LEU 990           H        LEU 990   8.622  -3.469  -2.648
  565    HA   LEU 990           HA       LEU 990   9.403  -0.878  -3.567
  566   1HB   LEU 990          HB1       LEU 990   8.514  -2.273  -5.201
  567   2HB   LEU 990          HB2       LEU 990   7.235  -2.851  -4.163
  568    HG   LEU 990           HG       LEU 990   5.953  -0.890  -4.498
  569   1HD1  LEU 990          1HD1      LEU 990   8.295   0.191  -6.083
  570   2HD1  LEU 990          2HD1      LEU 990   6.720   0.967  -5.925
  571   3HD1  LEU 990          3HD1      LEU 990   7.755   0.781  -4.511
  572   1HD2  LEU 990          1HD2      LEU 990   7.132  -1.984  -7.034
  573   2HD2  LEU 990          2HD2      LEU 990   5.644  -2.456  -6.221
  574   3HD2  LEU 990          3HD2      LEU 990   5.752  -0.886  -7.004
  575    H    LEU 991           H        LEU 991   7.013  -2.126  -1.293
  576    HA   LEU 991           HA       LEU 991   5.488   0.218  -0.967
  577   1HB   LEU 991          HB1       LEU 991   6.087  -1.851   1.148
  578   2HB   LEU 991          HB2       LEU 991   4.773  -0.691   1.165
  579    HG   LEU 991           HG       LEU 991   4.914  -2.640  -1.088
  580   1HD1  LEU 991          1HD1      LEU 991   3.672  -4.268   0.242
  581   2HD1  LEU 991          2HD1      LEU 991   5.282  -3.996   0.911
  582   3HD1  LEU 991          3HD1      LEU 991   3.872  -3.260   1.674
  583   1HD2  LEU 991          1HD2      LEU 991   2.478  -2.470  -0.909
  584   2HD2  LEU 991          2HD2      LEU 991   2.648  -1.428   0.504
  585   3HD2  LEU 991          3HD2      LEU 991   3.210  -0.873  -1.072
  586    H    ASN 992           H        ASN 992   8.285  -1.025   0.808
  587    HA   ASN 992           HA       ASN 992   8.558   1.074   2.640
  588   1HB   ASN 992          HB1       ASN 992   9.786  -1.100   2.735
  589   2HB   ASN 992          HB2       ASN 992  10.771  -0.570   1.377
  590   1HD2  ASN 992          2HD2      ASN 992  10.107  -0.212   4.750
  591   2HD2  ASN 992          1HD2      ASN 992  11.505   0.726   5.141
  592    H    SER 993           H        SER 993   9.642   0.661  -0.653
  593    HA   SER 993           HA       SER 993  11.365   2.852  -0.847
  594   1HB   SER 993          HB1       SER 993  11.546   1.300  -2.587
  595   2HB   SER 993          HB2       SER 993   9.802   1.214  -2.821
  596    HG   SER 993           HG       SER 993   9.828   3.030  -3.982
  597    H    ASP 994           H        ASP 994   7.828   2.664  -1.448
  598    HA   ASP 994           HA       ASP 994   8.062   5.472  -2.282
  599   1HB   ASP 994          HB1       ASP 994   6.271   3.292  -3.275
  600   2HB   ASP 994          HB2       ASP 994   5.848   4.988  -3.516
  601    H    LEU 995           H        LEU 995   6.179   3.330  -0.171
  602    HA   LEU 995           HA       LEU 995   4.427   5.256   0.853
  603   1HB   LEU 995          HB1       LEU 995   4.541   2.829   1.582
  604   2HB   LEU 995          HB2       LEU 995   5.942   3.256   2.545
  605    HG   LEU 995           HG       LEU 995   4.198   5.043   3.528
  606   1HD1  LEU 995          1HD1      LEU 995   2.008   4.055   3.750
  607   2HD1  LEU 995          2HD1      LEU 995   2.400   4.380   2.061
  608   3HD1  LEU 995          3HD1      LEU 995   2.492   2.733   2.689
  609   1HD2  LEU 995          1HD2      LEU 995   5.477   3.460   4.840
  610   2HD2  LEU 995          2HD2      LEU 995   3.791   3.475   5.354
  611   3HD2  LEU 995          3HD2      LEU 995   4.394   2.157   4.349
  612    H    ALA 996           H        ALA 996   7.737   4.485   1.716
  613    HA   ALA 996           HA       ALA 996   8.138   6.469   3.634
  614   1HB   ALA 996          HB1       ALA 996   9.718   4.643   3.304
  615   2HB   ALA 996          HB2       ALA 996  10.200   5.330   1.751
  616   3HB   ALA 996          HB3       ALA 996  10.534   6.206   3.247
  617    H    GLU 997           H        GLU 997   8.811   6.662   0.115
  618    HA   GLU 997           HA       GLU 997   9.671   9.308   0.210
  619   1HB   GLU 997          HB1       GLU 997   8.292   7.861  -2.037
  620   2HB   GLU 997          HB2       GLU 997   9.075   9.435  -2.181
  621   1HG   GLU 997          HG1       GLU 997  10.447   6.924  -1.287
  622   2HG   GLU 997          HG2       GLU 997  10.476   7.542  -2.940
  623    H    LEU 998           H        LEU 998   6.415   7.993   0.046
  624    HA   LEU 998           HA       LEU 998   5.192  10.494  -0.566
  625   1HB   LEU 998          HB1       LEU 998   4.048   8.322  -0.899
  626   2HB   LEU 998          HB2       LEU 998   3.983   8.107   0.842
  627    HG   LEU 998           HG       LEU 998   2.570  10.109   1.038
  628   1HD1  LEU 998          1HD1      LEU 998   3.404  11.311  -0.921
  629   2HD1  LEU 998          2HD1      LEU 998   2.629  10.128  -1.976
  630   3HD1  LEU 998          3HD1      LEU 998   1.647  11.168  -0.945
  631   1HD2  LEU 998          1HD2      LEU 998   0.553   9.169   0.014
  632   2HD2  LEU 998          2HD2      LEU 998   1.551   8.057  -0.922
  633   3HD2  LEU 998          3HD2      LEU 998   1.509   7.938   0.837
  634    H    ILE 999           H        ILE 999   6.159   8.826   2.317
  635    HA   ILE 999           HA       ILE 999   5.021  10.557   4.249
  636    HB   ILE 999           HB       ILE 999   7.571   8.932   4.379
  637   1HG1  ILE 999          1HG1      ILE 999   4.808   8.413   5.508
  638   2HG1  ILE 999          2HG1      ILE 999   5.496   7.627   4.090
  639   1HG2  ILE 999          1HG2      ILE 999   7.476   9.214   6.806
  640   2HG2  ILE 999          2HG2      ILE 999   7.666  10.765   5.990
  641   3HG2  ILE 999          3HG2      ILE 999   6.092  10.291   6.630
  642   1HD1  ILE 999          1HD1      ILE 999   5.615   6.191   6.040
  643   2HD1  ILE 999          2HD1      ILE 999   7.231   6.630   5.485
  644   3HD1  ILE 999          3HD1      ILE 999   6.540   7.417   6.905
  645    H    ASN1000           H        ASN1000   7.946  10.746   2.336
  646    HA   ASN1000           HA       ASN1000   8.754  13.254   3.616
  647   1HB   ASN1000          HB1       ASN1000  10.012  11.606   1.405
  648   2HB   ASN1000          HB2       ASN1000  10.656  13.146   1.957
  649   1HD2  ASN1000          2HD2      ASN1000  10.212   9.793   2.696
  650   2HD2  ASN1000          1HD2      ASN1000  11.273   9.748   4.063
  651    H    LYS1001           H        LYS1001   6.671  12.312   1.188
  652    HA   LYS1001           HA       LYS1001   7.032  14.740  -0.359
  653   1HB   LYS1001          HB1       LYS1001   4.949  12.568  -0.597
  654   2HB   LYS1001          HB2       LYS1001   5.042  13.974  -1.647
  655   1HG   LYS1001          HG1       LYS1001   6.974  11.693  -1.415
  656   2HG   LYS1001          HG2       LYS1001   6.050  12.210  -2.823
  657   1HD   LYS1001          HD1       LYS1001   7.377  14.250  -2.971
  658   2HD   LYS1001          HD2       LYS1001   8.275  13.789  -1.522
  659   1HE   LYS1001          HE1       LYS1001   8.950  11.694  -2.758
  660   2HE   LYS1001          HE2       LYS1001   8.263  12.424  -4.206
  661   1HZ   LYS1001          HZ1       LYS1001   9.820  14.318  -3.863
  662   2HZ   LYS1001          HZ2       LYS1001  10.544  13.440  -2.604
  663   3HZ   LYS1001          HZ3       LYS1001  10.592  12.841  -4.184
  664    H    MET1002           H        MET1002   4.775  13.425   2.037
  665    HA   MET1002           HA       MET1002   3.150  15.760   2.098
  666   1HB   MET1002          HB1       MET1002   2.270  14.907   4.200
  667   2HB   MET1002          HB2       MET1002   2.341  13.623   3.011
  668   1HG   MET1002          HG1       MET1002   3.077  12.559   4.899
  669   2HG   MET1002          HG2       MET1002   4.600  13.041   4.155
  670   1HE   MET1002          HE1       MET1002   5.716  12.518   6.550
  671   2HE   MET1002          HE2       MET1002   5.258  13.342   8.042
  672   3HE   MET1002          HE3       MET1002   4.154  12.187   7.294
  673    H    LYS1003           H        LYS1003   5.939  14.565   3.797
  674    HA   LYS1003           HA       LYS1003   6.414  16.732   5.469
  675   1HB   LYS1003          HB1       LYS1003   7.624  14.617   5.652
  676   2HB   LYS1003          HB2       LYS1003   8.354  14.876   4.075
  677   1HG   LYS1003          HG1       LYS1003   9.637  16.717   4.893
  678   2HG   LYS1003          HG2       LYS1003   8.788  16.679   6.442
  679   1HD   LYS1003          HD1       LYS1003   9.731  14.523   6.958
  680   2HD   LYS1003          HD2       LYS1003  10.463  14.420   5.355
  681   1HE   LYS1003          HE1       LYS1003  11.106  16.612   7.308
  682   2HE   LYS1003          HE2       LYS1003  12.001  15.095   7.245
  683   1HZ   LYS1003          HZ1       LYS1003  12.830  15.577   5.149
  684   2HZ   LYS1003          HZ2       LYS1003  11.649  16.748   4.821
  685   3HZ   LYS1003          HZ3       LYS1003  12.888  17.082   5.934
  686    H    LEU1004           H        LEU1004   7.741  16.042   2.233
  687    HA   LEU1004           HA       LEU1004   9.018  18.433   1.777
  688   1HB   LEU1004          HB1       LEU1004   9.011  16.265   0.417
  689   2HB   LEU1004          HB2       LEU1004   7.598  16.919  -0.385
  690    HG   LEU1004           HG       LEU1004   8.971  18.889  -1.073
  691   1HD1  LEU1004          1HD1      LEU1004  10.693  18.804   0.615
  692   2HD1  LEU1004          2HD1      LEU1004  11.220  17.222   0.041
  693   3HD1  LEU1004          3HD1      LEU1004  11.421  18.644  -0.984
  694   1HD2  LEU1004          1HD2      LEU1004  10.178  17.682  -2.834
  695   2HD2  LEU1004          2HD2      LEU1004   9.921  16.170  -1.964
  696   3HD2  LEU1004          3HD2      LEU1004   8.543  17.063  -2.608
  697    H    ALA1005           H        ALA1005   5.662  17.632   0.855
  698    HA   ALA1005           HA       ALA1005   5.098  20.058  -0.432
  699   1HB   ALA1005          HB1       ALA1005   2.755  19.479  -0.152
  700   2HB   ALA1005          HB2       ALA1005   3.687  18.054  -0.610
  701   3HB   ALA1005          HB3       ALA1005   3.178  18.274   1.064
  702    H    GLN1006           H        GLN1006   4.580  19.048   2.921
  703    HA   GLN1006           HA       GLN1006   3.622  21.626   3.730
  704   1HB   GLN1006          HB1       GLN1006   3.210  20.633   5.757
  705   2HB   GLN1006          HB2       GLN1006   3.287  19.198   4.737
  706   1HG   GLN1006          HG1       GLN1006   5.332  18.550   5.550
  707   2HG   GLN1006          HG2       GLN1006   5.776  20.176   6.062
  708   1HE2  GLN1006          2HE2      GLN1006   5.833  17.655   7.528
  709   2HE2  GLN1006          1HE2      GLN1006   4.866  17.907   8.936
  710    H    GLN1007           H        GLN1007   6.627  20.296   3.068
  711    HA   GLN1007           HA       GLN1007   8.217  21.858   4.877
  712   1HB   GLN1007          HB1       GLN1007   8.629  19.539   3.536
  713   2HB   GLN1007          HB2       GLN1007   9.399  20.673   2.437
  714   1HG   GLN1007          HG1       GLN1007  10.957  19.628   4.013
  715   2HG   GLN1007          HG2       GLN1007  10.916  21.389   4.170
  716   1HE2  GLN1007          2HE2      GLN1007   8.367  19.342   5.391
  717   2HE2  GLN1007          1HE2      GLN1007   8.718  19.574   7.072
  718    H    TYR1008           H        TYR1008   6.939  22.139   1.689
  719    HA   TYR1008           HA       TYR1008   8.360  24.692   1.272
  720   1HB   TYR1008          HB1       TYR1008   8.939  22.895  -0.327
  721   2HB   TYR1008          HB2       TYR1008   7.246  22.741  -0.756
  722    HD1  TYR1008           HD1      TYR1008   6.625  23.679  -2.761
  723    HD2  TYR1008           HD2      TYR1008   9.830  25.442  -0.576
  724    HE1  TYR1008           HE1      TYR1008   6.964  25.311  -4.572
  725    HE2  TYR1008           HE2      TYR1008  10.171  27.075  -2.382
  726    HH   TYR1008           HH       TYR1008   9.719  27.178  -4.864
  727    H    VAL1009           H        VAL1009   5.688  23.716   2.508
  728    HA   VAL1009           HA       VAL1009   3.495  24.354   1.045
  729    HB   VAL1009           HB       VAL1009   3.334  23.347   3.235
  730   1HG1  VAL1009          1HG1      VAL1009   5.050  24.597   4.414
  731   2HG1  VAL1009          2HG1      VAL1009   4.063  26.057   4.339
  732   3HG1  VAL1009          3HG1      VAL1009   3.519  24.673   5.287
  733   1HG2  VAL1009          1HG2      VAL1009   1.814  25.942   3.038
  734   2HG2  VAL1009          2HG2      VAL1009   1.350  24.393   2.335
  735   3HG2  VAL1009          3HG2      VAL1009   1.390  24.589   4.087
  736    H    MET1010           H        MET1010   3.288  26.037  -0.215
  737    HA   MET1010           HA       MET1010   2.933  28.638   1.013
  738   1HB   MET1010          HB1       MET1010   5.318  28.649   0.350
  739   2HB   MET1010          HB2       MET1010   4.858  28.230  -1.295
  740   1HG   MET1010          HG1       MET1010   5.345  30.576  -1.162
  741   2HG   MET1010          HG2       MET1010   3.625  30.347  -1.469
  742   1HE   MET1010          HE1       MET1010   5.579  29.945   1.952
  743   2HE   MET1010          HE2       MET1010   6.361  31.309   1.154
  744   3HE   MET1010          HE3       MET1010   5.404  31.569   2.613
  745    H    THR1011           H        THR1011   1.184  29.589   0.133
  746    HA   THR1011           HA       THR1011  -0.536  28.299  -1.557
  747    HB   THR1011           HB       THR1011  -1.276  30.189  -0.251
  748    HG1  THR1011           HG1      THR1011  -1.579  30.831  -3.017
  749   1HG2  THR1011          1HG2      THR1011  -0.737  32.499  -0.869
  750   2HG2  THR1011          2HG2      THR1011   0.711  31.601  -0.412
  751   3HG2  THR1011          3HG2      THR1011   0.365  31.910  -2.113
  752    H    SER1012           H        SER1012  -0.653  27.858  -3.617
  753    HA   SER1012           HA       SER1012  -0.520  28.001  -5.881
  754   1HB   SER1012          HB1       SER1012   0.994  30.592  -5.517
  755   2HB   SER1012          HB2       SER1012   0.214  30.015  -6.992
  756    HG   SER1012           HG       SER1012  -1.789  30.066  -5.765
  757    H    LEU1013           H        LEU1013   2.484  28.945  -4.243
  758    HA   LEU1013           HA       LEU1013   4.176  27.909  -6.302
  759   1HB   LEU1013          HB1       LEU1013   4.806  28.611  -3.434
  760   2HB   LEU1013          HB2       LEU1013   5.996  28.271  -4.675
  761    HG   LEU1013           HG       LEU1013   4.058  30.586  -4.707
  762   1HD1  LEU1013          1HD1      LEU1013   7.022  30.506  -4.165
  763   2HD1  LEU1013          2HD1      LEU1013   6.044  31.964  -4.323
  764   3HD1  LEU1013          3HD1      LEU1013   5.755  30.848  -2.988
  765   1HD2  LEU1013          1HD2      LEU1013   5.310  31.365  -6.629
  766   2HD2  LEU1013          2HD2      LEU1013   6.361  29.950  -6.549
  767   3HD2  LEU1013          3HD2      LEU1013   4.653  29.760  -6.947
  768    H    GLN1014           H        GLN1014   2.655  26.587  -3.504
  769    HA   GLN1014           HA       GLN1014   4.240  24.403  -2.861
  770   1HB   GLN1014          HB1       GLN1014   1.967  25.354  -1.892
  771   2HB   GLN1014          HB2       GLN1014   1.257  24.136  -2.936
  772   1HG   GLN1014          HG1       GLN1014   2.949  23.786  -0.505
  773   2HG   GLN1014          HG2       GLN1014   1.384  23.082  -0.887
  774   1HE2  GLN1014          2HE2      GLN1014   1.361  21.452  -2.605
  775   2HE2  GLN1014          1HE2      GLN1014   2.734  20.413  -2.761
  776    H    GLN1015           H        GLN1015   2.163  24.909  -5.590
  777    HA   GLN1015           HA       GLN1015   1.419  22.266  -6.171
  778   1HB   GLN1015          HB1       GLN1015   0.221  24.041  -7.178
  779   2HB   GLN1015          HB2       GLN1015   1.675  24.693  -7.904
  780   1HG   GLN1015          HG1       GLN1015   1.809  22.846  -9.433
  781   2HG   GLN1015          HG2       GLN1015   0.470  22.034  -8.621
  782   1HE2  GLN1015          2HE2      GLN1015   1.395  24.642 -10.726
  783   2HE2  GLN1015          1HE2      GLN1015  -0.199  25.012 -11.298
  784    H    GLU1016           H        GLU1016   4.290  24.071  -7.049
  785    HA   GLU1016           HA       GLU1016   5.575  22.351  -8.770
  786   1HB   GLU1016          HB1       GLU1016   6.521  24.492  -7.963
  787   2HB   GLU1016          HB2       GLU1016   6.837  23.749  -6.402
  788   1HG   GLU1016          HG1       GLU1016   8.366  22.164  -7.480
  789   2HG   GLU1016          HG2       GLU1016   8.073  22.955  -9.029
  790    H    TYR1017           H        TYR1017   5.819  22.203  -5.208
  791    HA   TYR1017           HA       TYR1017   6.998  19.605  -5.239
  792   1HB   TYR1017          HB1       TYR1017   5.973  21.413  -3.068
  793   2HB   TYR1017          HB2       TYR1017   6.405  19.743  -2.707
  794    HD1  TYR1017           HD1      TYR1017   8.225  21.644  -5.261
  795    HD2  TYR1017           HD2      TYR1017   8.194  20.415  -1.180
  796    HE1  TYR1017           HE1      TYR1017  10.580  22.306  -5.050
  797    HE2  TYR1017           HE2      TYR1017  10.553  21.071  -0.969
  798    HH   TYR1017           HH       TYR1017  12.158  22.971  -3.291
  799    H    LYS1018           H        LYS1018   3.778  20.821  -5.223
  800    HA   LYS1018           HA       LYS1018   2.403  18.597  -4.167
  801   1HB   LYS1018          HB1       LYS1018   1.359  20.785  -4.457
  802   2HB   LYS1018          HB2       LYS1018   1.508  20.646  -6.201
  803   1HG   LYS1018          HG1       LYS1018  -0.029  18.736  -6.173
  804   2HG   LYS1018          HG2       LYS1018  -0.191  18.909  -4.421
  805   1HD   LYS1018          HD1       LYS1018  -1.078  21.170  -4.727
  806   2HD   LYS1018          HD2       LYS1018  -0.920  20.997  -6.477
  807   1HE   LYS1018          HE1       LYS1018  -3.217  20.610  -5.737
  808   2HE   LYS1018          HE2       LYS1018  -2.514  19.161  -6.455
  809   1HZ   LYS1018          HZ1       LYS1018  -2.187  18.219  -4.314
  810   2HZ   LYS1018          HZ2       LYS1018  -2.622  19.662  -3.533
  811   3HZ   LYS1018          HZ3       LYS1018  -3.790  18.769  -4.381
  812    H    LYS1019           H        LYS1019   3.274  19.439  -7.517
  813    HA   LYS1019           HA       LYS1019   2.127  17.212  -8.778
  814   1HB   LYS1019          HB1       LYS1019   4.638  18.723  -9.533
  815   2HB   LYS1019          HB2       LYS1019   3.779  17.607 -10.580
  816   1HG   LYS1019          HG1       LYS1019   1.816  19.081 -10.520
  817   2HG   LYS1019          HG2       LYS1019   2.717  20.209  -9.505
  818   1HD   LYS1019          HD1       LYS1019   4.392  20.455 -11.281
  819   2HD   LYS1019          HD2       LYS1019   3.466  19.353 -12.299
  820   1HE   LYS1019          HE1       LYS1019   1.561  20.930 -12.188
  821   2HE   LYS1019          HE2       LYS1019   2.575  22.042 -11.270
  822   1HZ   LYS1019          HZ1       LYS1019   3.127  21.080 -14.027
  823   2HZ   LYS1019          HZ2       LYS1019   2.528  22.613 -13.621
  824   3HZ   LYS1019          HZ3       LYS1019   4.092  22.161 -13.146
  825    H    GLN1020           H        GLN1020   5.527  17.703  -7.895
  826    HA   GLN1020           HA       GLN1020   6.489  15.154  -8.155
  827   1HB   GLN1020          HB1       GLN1020   7.155  17.168  -6.008
  828   2HB   GLN1020          HB2       GLN1020   8.114  15.736  -6.358
  829   1HG   GLN1020          HG1       GLN1020   8.613  16.539  -8.562
  830   2HG   GLN1020          HG2       GLN1020   7.528  17.912  -8.349
  831   1HE2  GLN1020          2HE2      GLN1020   8.178  19.651  -7.113
  832   2HE2  GLN1020          1HE2      GLN1020   9.816  19.860  -6.590
  833    H    MET1021           H        MET1021   4.698  16.455  -5.402
  834    HA   MET1021           HA       MET1021   4.895  14.222  -3.709
  835   1HB   MET1021          HB1       MET1021   4.103  16.462  -3.011
  836   2HB   MET1021          HB2       MET1021   2.634  16.219  -3.946
  837   1HG   MET1021          HG1       MET1021   2.103  14.273  -2.515
  838   2HG   MET1021          HG2       MET1021   3.517  14.657  -1.533
  839   1HE   MET1021          HE1       MET1021   0.928  14.355  -0.018
  840   2HE   MET1021          HE2       MET1021   2.392  15.004   0.721
  841   3HE   MET1021          HE3       MET1021   0.850  15.831   0.944
  842    H    LEU1022           H        LEU1022   2.307  15.158  -5.973
  843    HA   LEU1022           HA       LEU1022   0.692  12.893  -5.578
  844   1HB   LEU1022          HB1       LEU1022  -0.064  14.982  -6.642
  845   2HB   LEU1022          HB2       LEU1022   0.941  14.630  -8.034
  846    HG   LEU1022           HG       LEU1022  -0.410  12.588  -8.454
  847   1HD1  LEU1022          1HD1      LEU1022  -1.211  12.156  -6.215
  848   2HD1  LEU1022          2HD1      LEU1022  -2.117  13.668  -6.219
  849   3HD1  LEU1022          3HD1      LEU1022  -2.576  12.363  -7.313
  850   1HD2  LEU1022          1HD2      LEU1022  -1.945  15.179  -8.328
  851   2HD2  LEU1022          2HD2      LEU1022  -0.905  14.639  -9.649
  852   3HD2  LEU1022          3HD2      LEU1022  -2.392  13.765  -9.283
  853    H    THR1023           H        THR1023   3.392  13.487  -7.739
  854    HA   THR1023           HA       THR1023   3.123  11.186  -9.340
  855    HB   THR1023           HB       THR1023   5.681  12.626  -8.598
  856    HG1  THR1023           HG1      THR1023   4.124  14.046  -9.514
  857   1HG2  THR1023          1HG2      THR1023   6.070  10.460  -9.670
  858   2HG2  THR1023          2HG2      THR1023   4.983  10.909 -10.983
  859   3HG2  THR1023          3HG2      THR1023   6.497  11.783 -10.755
  860    H    ALA1024           H        ALA1024   4.555  11.720  -6.194
  861    HA   ALA1024           HA       ALA1024   5.786   9.108  -6.077
  862   1HB   ALA1024          HB1       ALA1024   6.795  11.007  -4.902
  863   2HB   ALA1024          HB2       ALA1024   5.364  11.124  -3.878
  864   3HB   ALA1024          HB3       ALA1024   6.390   9.691  -3.802
  865    H    ALA1025           H        ALA1025   2.927  10.721  -4.783
  866    HA   ALA1025           HA       ALA1025   1.917   8.629  -3.218
  867   1HB   ALA1025          HB1       ALA1025  -0.267   9.723  -3.492
  868   2HB   ALA1025          HB2       ALA1025   1.005  10.895  -3.144
  869   3HB   ALA1025          HB3       ALA1025   0.398  10.716  -4.789
  870    H    HIS1026           H        HIS1026   1.473   9.408  -6.633
  871    HA   HIS1026           HA       HIS1026  -0.270   7.336  -7.320
  872   1HB   HIS1026          HB1       HIS1026   0.282   9.269  -8.774
  873   2HB   HIS1026          HB2       HIS1026   1.891   8.605  -9.022
  874    HD1  HIS1026           HD1      HIS1026  -1.694   8.124  -9.993
  875    HD2  HIS1026           HD2      HIS1026   2.046   6.520 -10.876
  876    HE1  HIS1026           HE1      HIS1026  -2.029   6.687 -12.038
  877    HE2  HIS1026           HE2      HIS1026   0.240   5.697 -12.535
  878    H    ALA1027           H        ALA1027   3.220   7.398  -6.952
  879    HA   ALA1027           HA       ALA1027   3.678   4.856  -8.163
  880   1HB   ALA1027          HB1       ALA1027   5.942   5.068  -7.318
  881   2HB   ALA1027          HB2       ALA1027   5.411   6.591  -8.032
  882   3HB   ALA1027          HB3       ALA1027   5.452   6.404  -6.279
  883    H    LEU1028           H        LEU1028   3.303   5.946  -4.799
  884    HA   LEU1028           HA       LEU1028   3.766   3.305  -3.761
  885   1HB   LEU1028          HB1       LEU1028   4.314   4.811  -2.146
  886   2HB   LEU1028          HB2       LEU1028   3.029   5.925  -2.525
  887    HG   LEU1028           HG       LEU1028   1.486   4.053  -1.540
  888   1HD1  LEU1028          1HD1      LEU1028   3.119   2.313  -1.400
  889   2HD1  LEU1028          2HD1      LEU1028   4.117   3.303  -0.334
  890   3HD1  LEU1028          3HD1      LEU1028   2.535   2.741   0.208
  891   1HD2  LEU1028          1HD2      LEU1028   1.919   4.952   0.759
  892   2HD2  LEU1028          2HD2      LEU1028   3.250   5.867   0.047
  893   3HD2  LEU1028          3HD2      LEU1028   1.601   6.146  -0.500
  894    H    ALA1029           H        ALA1029   0.974   5.228  -4.661
  895    HA   ALA1029           HA       ALA1029  -1.070   3.545  -3.820
  896   1HB   ALA1029          HB1       ALA1029  -1.455   5.757  -4.805
  897   2HB   ALA1029          HB2       ALA1029  -0.981   5.131  -6.385
  898   3HB   ALA1029          HB3       ALA1029  -2.429   4.514  -5.590
  899    H    VAL1030           H        VAL1030   0.687   3.455  -6.934
  900    HA   VAL1030           HA       VAL1030  -0.552   1.064  -7.832
  901    HB   VAL1030           HB       VAL1030   2.061   2.322  -8.696
  902   1HG1  VAL1030          1HG1      VAL1030   1.912  -0.050  -9.332
  903   2HG1  VAL1030          2HG1      VAL1030   0.371   0.272 -10.127
  904   3HG1  VAL1030          3HG1      VAL1030   1.849   1.018 -10.735
  905   1HG2  VAL1030          1HG2      VAL1030   0.728   3.190 -10.585
  906   2HG2  VAL1030          2HG2      VAL1030  -0.728   2.554  -9.818
  907   3HG2  VAL1030          3HG2      VAL1030   0.202   3.827  -9.026
  908    H    ASP1031           H        ASP1031   1.908   1.718  -5.644
  909    HA   ASP1031           HA       ASP1031   3.219  -0.837  -5.761
  910   1HB   ASP1031          HB1       ASP1031   4.662   0.756  -4.965
  911   2HB   ASP1031          HB2       ASP1031   3.404   1.613  -4.084
  912    H    ALA1032           H        ALA1032   0.874   0.750  -3.592
  913    HA   ALA1032           HA       ALA1032   0.249  -1.438  -1.953
  914   1HB   ALA1032          HB1       ALA1032  -1.910  -0.339  -1.629
  915   2HB   ALA1032          HB2       ALA1032  -0.590   0.829  -1.557
  916   3HB   ALA1032          HB3       ALA1032  -1.588   0.714  -3.007
  917    H    LYS1033           H        LYS1033  -0.931  -0.461  -5.142
  918    HA   LYS1033           HA       LYS1033  -2.796  -2.541  -5.495
  919   1HB   LYS1033          HB1       LYS1033  -1.238  -0.941  -7.528
  920   2HB   LYS1033          HB2       LYS1033  -2.557  -2.029  -7.931
  921   1HG   LYS1033          HG1       LYS1033  -2.801   0.387  -6.151
  922   2HG   LYS1033          HG2       LYS1033  -3.229   0.337  -7.861
  923   1HD   LYS1033          HD1       LYS1033  -4.463  -1.386  -5.710
  924   2HD   LYS1033          HD2       LYS1033  -5.188   0.075  -6.377
  925   1HE   LYS1033          HE1       LYS1033  -4.554  -2.471  -7.870
  926   2HE   LYS1033          HE2       LYS1033  -6.155  -1.883  -7.427
  927   1HZ   LYS1033          HZ1       LYS1033  -4.269  -0.696  -9.383
  928   2HZ   LYS1033          HZ2       LYS1033  -5.800  -1.352  -9.688
  929   3HZ   LYS1033          HZ3       LYS1033  -5.661   0.106  -8.835
  930    H    ASN1034           H        ASN1034   0.681  -2.372  -6.048
  931    HA   ASN1034           HA       ASN1034   0.866  -4.784  -7.527
  932   1HB   ASN1034          HB1       ASN1034   2.670  -3.021  -7.398
  933   2HB   ASN1034          HB2       ASN1034   3.027  -3.604  -5.774
  934   1HD2  ASN1034          2HD2      ASN1034   5.093  -4.289  -6.289
  935   2HD2  ASN1034          1HD2      ASN1034   5.417  -5.637  -7.318
  936    H    LEU1035           H        LEU1035   1.039  -4.016  -4.076
  937    HA   LEU1035           HA       LEU1035   1.746  -6.744  -3.384
  938   1HB   LEU1035          HB1       LEU1035   2.492  -4.799  -1.968
  939   2HB   LEU1035          HB2       LEU1035   0.804  -4.546  -1.523
  940    HG   LEU1035           HG       LEU1035   0.877  -6.986  -0.682
  941   1HD1  LEU1035          1HD1      LEU1035   3.098  -7.730   0.043
  942   2HD1  LEU1035          2HD1      LEU1035   2.963  -7.635  -1.713
  943   3HD1  LEU1035          3HD1      LEU1035   3.823  -6.375  -0.825
  944   1HD2  LEU1035          1HD2      LEU1035   2.429  -4.819   0.717
  945   2HD2  LEU1035          2HD2      LEU1035   0.690  -5.097   0.811
  946   3HD2  LEU1035          3HD2      LEU1035   1.810  -6.287   1.476
  947    H    LEU1036           H        LEU1036  -1.122  -4.897  -3.874
  948    HA   LEU1036           HA       LEU1036  -2.936  -6.445  -2.402
  949   1HB   LEU1036          HB1       LEU1036  -4.142  -4.661  -2.959
  950   2HB   LEU1036          HB2       LEU1036  -3.087  -4.260  -4.301
  951    HG   LEU1036           HG       LEU1036  -5.274  -6.336  -4.550
  952   1HD1  LEU1036          1HD1      LEU1036  -6.288  -4.256  -3.786
  953   2HD1  LEU1036          2HD1      LEU1036  -5.460  -3.370  -5.066
  954   3HD1  LEU1036          3HD1      LEU1036  -6.689  -4.568  -5.475
  955   1HD2  LEU1036          1HD2      LEU1036  -3.900  -4.584  -6.592
  956   2HD2  LEU1036          2HD2      LEU1036  -3.568  -6.296  -6.323
  957   3HD2  LEU1036          3HD2      LEU1036  -5.147  -5.787  -6.921
  958    H    ASP1037           H        ASP1037  -1.557  -6.798  -5.537
  959    HA   ASP1037           HA       ASP1037  -3.144  -9.160  -6.123
  960   1HB   ASP1037          HB1       ASP1037  -2.408  -7.568  -7.936
  961   2HB   ASP1037          HB2       ASP1037  -0.754  -8.101  -7.654
  962    H    VAL1038           H        VAL1038   0.086  -8.249  -5.136
  963    HA   VAL1038           HA       VAL1038   1.432 -10.650  -5.153
  964    HB   VAL1038           HB       VAL1038   1.577  -8.319  -3.256
  965   1HG1  VAL1038          1HG1      VAL1038   3.673  -9.252  -2.384
  966   2HG1  VAL1038          2HG1      VAL1038   2.282 -10.265  -1.991
  967   3HG1  VAL1038          3HG1      VAL1038   3.377 -10.736  -3.293
  968   1HG2  VAL1038          1HG2      VAL1038   3.413  -9.313  -5.433
  969   2HG2  VAL1038          2HG2      VAL1038   2.343  -7.914  -5.524
  970   3HG2  VAL1038          3HG2      VAL1038   3.708  -7.909  -4.408
  971    H    ILE1039           H        ILE1039  -0.235  -9.317  -2.317
  972    HA   ILE1039           HA       ILE1039   0.045 -11.805  -0.914
  973    HB   ILE1039           HB       ILE1039  -1.070 -10.638   0.971
  974   1HG1  ILE1039          1HG1      ILE1039  -1.191  -8.413  -1.052
  975   2HG1  ILE1039          2HG1      ILE1039  -2.491  -9.060  -0.059
  976   1HG2  ILE1039          1HG2      ILE1039   1.292  -9.240  -0.272
  977   2HG2  ILE1039          2HG2      ILE1039   0.805  -9.118   1.418
  978   3HG2  ILE1039          3HG2      ILE1039   1.342 -10.665   0.766
  979   1HD1  ILE1039          1HD1      ILE1039  -1.438  -8.113   1.928
  980   2HD1  ILE1039          2HD1      ILE1039  -0.152  -7.448   0.921
  981   3HD1  ILE1039          3HD1      ILE1039  -1.810  -6.878   0.724
  982    H    ASP1040           H        ASP1040  -2.686 -10.040  -2.408
  983    HA   ASP1040           HA       ASP1040  -4.697 -11.852  -1.832
  984   1HB   ASP1040          HB1       ASP1040  -5.280 -10.108  -3.338
  985   2HB   ASP1040          HB2       ASP1040  -3.987 -10.536  -4.455
  986    H    GLN1041           H        GLN1041  -2.108 -12.115  -4.206
  987    HA   GLN1041           HA       GLN1041  -2.768 -14.803  -4.907
  988   1HB   GLN1041          HB1       GLN1041  -0.322 -13.141  -5.427
  989   2HB   GLN1041          HB2       GLN1041  -0.426 -14.832  -5.893
  990   1HG   GLN1041          HG1       GLN1041  -2.593 -14.096  -7.110
  991   2HG   GLN1041          HG2       GLN1041  -1.911 -12.475  -6.959
  992   1HE2  GLN1041          2HE2      GLN1041  -1.514 -12.165  -9.093
  993   2HE2  GLN1041          1HE2      GLN1041  -0.337 -13.062  -9.986
  994    H    ALA1042           H        ALA1042  -0.736 -13.291  -2.458
  995    HA   ALA1042           HA       ALA1042   0.811 -15.388  -1.663
  996   1HB   ALA1042          HB1       ALA1042   0.858 -13.180  -0.603
  997   2HB   ALA1042          HB2       ALA1042  -0.670 -13.546   0.199
  998   3HB   ALA1042          HB3       ALA1042   0.773 -14.484   0.581
  999    H    ARG1043           H        ARG1043  -2.449 -14.711  -0.401
 1000    HA   ARG1043           HA       ARG1043  -2.835 -17.108   0.939
 1001   1HB   ARG1043          HB1       ARG1043  -4.504 -14.954  -0.008
 1002   2HB   ARG1043          HB2       ARG1043  -5.334 -16.497  -0.164
 1003   1HG   ARG1043          HG1       ARG1043  -5.748 -15.329   1.985
 1004   2HG   ARG1043          HG2       ARG1043  -5.081 -16.952   2.164
 1005   1HD   ARG1043          HD1       ARG1043  -2.937 -16.110   2.715
 1006   2HD   ARG1043          HD2       ARG1043  -3.363 -14.482   2.182
 1007    HE   ARG1043           HE       ARG1043  -5.060 -14.649   4.118
 1008   1HH1  ARG1043          2HH1      ARG1043  -1.859 -16.084   4.189
 1009   2HH1  ARG1043          1HH1      ARG1043  -1.699 -15.922   5.914
 1010   1HH2  ARG1043          2HH2      ARG1043  -4.829 -14.398   6.341
 1011   2HH2  ARG1043          1HH2      ARG1043  -3.369 -14.927   7.132
 1012    H    LEU1044           H        LEU1044  -3.156 -16.443  -2.509
 1013    HA   LEU1044           HA       LEU1044  -4.136 -19.044  -3.189
 1014   1HB   LEU1044          HB1       LEU1044  -4.398 -17.105  -4.675
 1015   2HB   LEU1044          HB2       LEU1044  -2.659 -17.035  -4.884
 1016    HG   LEU1044           HG       LEU1044  -2.701 -19.237  -5.983
 1017   1HD1  LEU1044          1HD1      LEU1044  -4.825 -20.242  -6.620
 1018   2HD1  LEU1044          2HD1      LEU1044  -4.668 -20.157  -4.865
 1019   3HD1  LEU1044          3HD1      LEU1044  -5.695 -19.002  -5.716
 1020   1HD2  LEU1044          1HD2      LEU1044  -4.579 -17.194  -7.157
 1021   2HD2  LEU1044          2HD2      LEU1044  -2.826 -17.229  -7.335
 1022   3HD2  LEU1044          3HD2      LEU1044  -3.810 -18.507  -8.049
 1023    H    LYS1045           H        LYS1045  -0.914 -17.600  -2.944
 1024    HA   LYS1045           HA       LYS1045   0.649 -19.704  -3.930
 1025   1HB   LYS1045          HB1       LYS1045   1.387 -18.024  -1.524
 1026   2HB   LYS1045          HB2       LYS1045   2.473 -18.782  -2.667
 1027   1HG   LYS1045          HG1       LYS1045   0.704 -16.418  -3.175
 1028   2HG   LYS1045          HG2       LYS1045   2.440 -16.392  -2.908
 1029   1HD   LYS1045          HD1       LYS1045   2.681 -17.793  -4.986
 1030   2HD   LYS1045          HD2       LYS1045   0.958 -17.528  -5.279
 1031   1HE   LYS1045          HE1       LYS1045   1.420 -15.060  -5.134
 1032   2HE   LYS1045          HE2       LYS1045   3.137 -15.450  -5.100
 1033   1HZ   LYS1045          HZ1       LYS1045   2.658 -14.943  -7.312
 1034   2HZ   LYS1045          HZ2       LYS1045   2.696 -16.641  -7.284
 1035   3HZ   LYS1045          HZ3       LYS1045   1.211 -15.831  -7.317
 1036    H    MET1046           H        MET1046  -0.997 -19.141  -0.943
 1037    HA   MET1046           HA       MET1046   0.274 -21.227   0.550
 1038   1HB   MET1046          HB1       MET1046  -0.810 -19.191   1.530
 1039   2HB   MET1046          HB2       MET1046  -2.366 -19.863   1.078
 1040   1HG   MET1046          HG1       MET1046  -2.036 -21.736   2.558
 1041   2HG   MET1046          HG2       MET1046  -0.401 -21.183   2.929
 1042   1HE   MET1046          HE1       MET1046  -2.280 -20.552   6.303
 1043   2HE   MET1046          HE2       MET1046  -2.573 -21.886   5.186
 1044   3HE   MET1046          HE3       MET1046  -0.924 -21.353   5.510
 1045    H    ILE1047           H        ILE1047  -2.722 -20.883  -1.278
 1046    HA   ILE1047           HA       ILE1047  -3.738 -23.473  -0.884
 1047    HB   ILE1047           HB       ILE1047  -3.901 -21.775  -3.391
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.760 -20.557  -1.464
 1049   2HG1  ILE1047          2HG1      ILE1047  -6.086 -21.035  -2.515
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.912 -23.062  -3.903
 1051   2HG2  ILE1047          2HG2      ILE1047  -4.489 -24.098  -3.807
 1052   3HG2  ILE1047          3HG2      ILE1047  -5.639 -24.058  -2.472
 1053   1HD1  ILE1047          1HD1      ILE1047  -5.282 -22.381   0.053
 1054   2HD1  ILE1047          2HD1      ILE1047  -6.679 -21.330  -0.190
 1055   3HD1  ILE1047          3HD1      ILE1047  -6.597 -22.893  -1.007
 1056    H    SER1048           H        SER1048  -1.485 -22.111  -3.217
 1057    HA   SER1048           HA       SER1048  -1.080 -24.294  -4.871
 1058   1HB   SER1048          HB1       SER1048  -0.315 -21.932  -5.241
 1059   2HB   SER1048          HB2       SER1048   1.001 -22.229  -4.105
 1060    HG   SER1048           HG       SER1048   1.953 -23.543  -5.526
 1061    H    GLN1049           H        GLN1049   1.053 -23.285  -2.178
 1062    HA   GLN1049           HA       GLN1049   2.495 -25.789  -2.411
 1063   1HB   GLN1049          HB1       GLN1049   3.778 -23.760  -2.115
 1064   2HB   GLN1049          HB2       GLN1049   2.916 -23.394  -0.629
 1065   1HG   GLN1049          HG1       GLN1049   5.128 -24.261  -0.159
 1066   2HG   GLN1049          HG2       GLN1049   3.883 -25.358   0.434
 1067   1HE2  GLN1049          2HE2      GLN1049   5.299 -27.090   0.456
 1068   2HE2  GLN1049          1HE2      GLN1049   5.829 -27.865  -1.000
 1069    H    SER1050           H        SER1050   0.770 -24.075   0.203
 1070    HA   SER1050           HA       SER1050   1.231 -26.132   2.089
 1071   1HB   SER1050          HB1       SER1050   0.793 -23.744   2.664
 1072   2HB   SER1050          HB2       SER1050  -0.886 -23.971   2.178
 1073    HG   SER1050           HG       SER1050   0.268 -24.520   4.525
 1074    H    ARG1051           H        ARG1051  -1.573 -25.282   0.082
 1075    HA   ARG1051           HA       ARG1051  -3.400 -26.450  -0.566
 1076   1HB   ARG1051          HB1       ARG1051  -1.744 -28.842   0.253
 1077   2HB   ARG1051          HB2       ARG1051  -3.228 -28.913  -0.691
 1078   1HG   ARG1051          HG1       ARG1051  -2.203 -27.699  -2.492
 1079   2HG   ARG1051          HG2       ARG1051  -0.745 -27.437  -1.534
 1080   1HD   ARG1051          HD1       ARG1051  -0.319 -29.833  -1.501
 1081   2HD   ARG1051          HD2       ARG1051  -1.799 -30.120  -2.416
 1082    HE   ARG1051           HE       ARG1051  -0.336 -28.375  -3.944
 1083   1HH1  ARG1051          2HH1      ARG1051   0.247 -31.551  -2.585
 1084   2HH1  ARG1051          1HH1      ARG1051   1.250 -32.066  -3.905
 1085   1HH2  ARG1051          2HH2      ARG1051   0.977 -29.049  -5.681
 1086   2HH2  ARG1051          1HH2      ARG1051   1.666 -30.649  -5.662
 1087    HA   PRO1052           HA       PRO1052  -5.237 -26.541   3.512
 1088   1HB   PRO1052          HB1       PRO1052  -7.596 -25.503   2.826
 1089   2HB   PRO1052          HB2       PRO1052  -6.126 -24.519   2.802
 1090   1HG   PRO1052          HG1       PRO1052  -7.556 -25.844   0.528
 1091   2HG   PRO1052          HG2       PRO1052  -6.867 -24.213   0.615
 1092   1HD   PRO1052          HD1       PRO1052  -5.608 -26.366  -0.549
 1093   2HD   PRO1052          HD2       PRO1052  -4.765 -24.947   0.102
 1094    H    HIS1053           H        HIS1053  -5.216 -29.017   1.887
 1095    HA   HIS1053           HA       HIS1053  -7.766 -30.122   2.830
 1096   1HB   HIS1053          HB1       HIS1053  -7.919 -29.683   0.370
 1097   2HB   HIS1053          HB2       HIS1053  -6.556 -30.769   0.126
 1098    HD1  HIS1053           HD1      HIS1053 -10.197 -30.726   0.961
 1099    HD2  HIS1053           HD2      HIS1053  -7.177 -33.508   0.285
 1100    HE1  HIS1053           HE1      HIS1053 -11.356 -32.947   0.729
 1101    HE2  HIS1053           HE2      HIS1053  -9.530 -34.573   0.109
  Start of MODEL   19
    1   1H    ARG 920           H        ARG 920  -7.128 -19.226  -4.298
    2    HA   ARG 920           HA       ARG 920  -8.087 -19.250  -1.645
    3   1HB   ARG 920          HB1       ARG 920  -6.473 -17.646  -1.129
    4   2HB   ARG 920          HB2       ARG 920  -5.733 -18.583  -2.416
    5   1HG   ARG 920          HG1       ARG 920  -7.123 -15.942  -2.809
    6   2HG   ARG 920          HG2       ARG 920  -5.383 -16.139  -2.610
    7   1HD   ARG 920          HD1       ARG 920  -5.277 -17.483  -4.608
    8   2HD   ARG 920          HD2       ARG 920  -7.028 -17.399  -4.793
    9    HE   ARG 920           HE       ARG 920  -5.716 -14.821  -4.723
   10   1HH1  ARG 920          2HH1      ARG 920  -6.827 -17.456  -6.752
   11   2HH1  ARG 920          1HH1      ARG 920  -6.900 -16.489  -8.186
   12   1HH2  ARG 920          2HH2      ARG 920  -5.861 -13.530  -6.613
   13   2HH2  ARG 920          1HH2      ARG 920  -6.358 -14.268  -8.111
   14    H    SER 921           H        SER 921  -9.347 -17.785  -0.584
   15    HA   SER 921           HA       SER 921 -11.168 -16.262  -2.237
   16   1HB   SER 921          HB1       SER 921 -11.036 -16.959   0.680
   17   2HB   SER 921          HB2       SER 921 -12.249 -15.846   0.046
   18    HG   SER 921           HG       SER 921 -12.495 -18.393   0.155
   19    H    ASN 922           H        ASN 922  -8.365 -15.446  -1.934
   20    HA   ASN 922           HA       ASN 922  -7.029 -13.647  -1.479
   21   1HB   ASN 922          HB1       ASN 922  -9.122 -11.653  -1.751
   22   2HB   ASN 922          HB2       ASN 922  -7.663 -11.883  -2.701
   23   1HD2  ASN 922          2HD2      ASN 922  -7.669 -13.435  -4.364
   24   2HD2  ASN 922          1HD2      ASN 922  -9.144 -13.804  -5.215
   25    H    ASP 923           H        ASP 923  -7.243 -14.484   0.720
   26    HA   ASP 923           HA       ASP 923  -8.873 -13.729   2.737
   27   1HB   ASP 923          HB1       ASP 923  -6.728 -15.286   2.551
   28   2HB   ASP 923          HB2       ASP 923  -5.947 -13.898   3.292
   29    H    LYS 924           H        LYS 924  -7.848 -12.558   4.724
   30    HA   LYS 924           HA       LYS 924  -8.189  -9.900   4.722
   31   1HB   LYS 924          HB1       LYS 924  -7.578 -11.497   6.641
   32   2HB   LYS 924          HB2       LYS 924  -5.908 -11.109   6.279
   33   1HG   LYS 924          HG1       LYS 924  -7.868  -8.928   6.829
   34   2HG   LYS 924          HG2       LYS 924  -7.154  -9.843   8.154
   35   1HD   LYS 924          HD1       LYS 924  -4.919  -9.223   7.369
   36   2HD   LYS 924          HD2       LYS 924  -5.638  -8.305   6.044
   37   1HE   LYS 924          HE1       LYS 924  -5.046  -6.799   7.819
   38   2HE   LYS 924          HE2       LYS 924  -6.801  -6.897   7.697
   39   1HZ   LYS 924          HZ1       LYS 924  -6.012  -6.959   9.999
   40   2HZ   LYS 924          HZ2       LYS 924  -6.843  -8.381   9.586
   41   3HZ   LYS 924          HZ3       LYS 924  -5.147  -8.384   9.673
   42    H    VAL 925           H        VAL 925  -5.412 -11.500   3.399
   43    HA   VAL 925           HA       VAL 925  -3.610  -9.404   3.158
   44    HB   VAL 925           HB       VAL 925  -2.815 -10.680   1.085
   45   1HG1  VAL 925          1HG1      VAL 925  -1.909 -12.518   2.445
   46   2HG1  VAL 925          2HG1      VAL 925  -1.825 -10.979   3.303
   47   3HG1  VAL 925          3HG1      VAL 925  -3.075 -12.152   3.717
   48   1HG2  VAL 925          1HG2      VAL 925  -4.955 -12.592   2.035
   49   2HG2  VAL 925          2HG2      VAL 925  -4.919 -11.741   0.490
   50   3HG2  VAL 925          3HG2      VAL 925  -3.702 -12.966   0.850
   51    H    TYR 926           H        TYR 926  -6.201 -10.424   0.811
   52    HA   TYR 926           HA       TYR 926  -5.430  -8.281  -1.018
   53   1HB   TYR 926          HB1       TYR 926  -6.347 -10.293  -1.946
   54   2HB   TYR 926          HB2       TYR 926  -7.738 -10.253  -0.874
   55    HD1  TYR 926           HD1      TYR 926  -6.183  -8.621  -3.816
   56    HD2  TYR 926           HD2      TYR 926  -9.695  -9.084  -1.460
   57    HE1  TYR 926           HE1      TYR 926  -7.503  -7.504  -5.567
   58    HE2  TYR 926           HE2      TYR 926 -11.022  -7.965  -3.200
   59    HH   TYR 926           HH       TYR 926  -9.792  -7.359  -6.336
   60    H    GLU 927           H        GLU 927  -7.505  -8.825   1.664
   61    HA   GLU 927           HA       GLU 927  -9.430  -6.782   1.286
   62   1HB   GLU 927          HB1       GLU 927  -8.515  -8.385   3.659
   63   2HB   GLU 927          HB2       GLU 927  -9.784  -7.185   3.788
   64   1HG   GLU 927          HG1       GLU 927 -10.919  -8.475   1.886
   65   2HG   GLU 927          HG2       GLU 927  -9.775  -9.761   2.276
   66    H    ASN 928           H        ASN 928  -6.621  -6.949   3.497
   67    HA   ASN 928           HA       ASN 928  -7.046  -4.247   4.334
   68   1HB   ASN 928          HB1       ASN 928  -5.912  -6.184   5.626
   69   2HB   ASN 928          HB2       ASN 928  -4.469  -5.735   4.729
   70   1HD2  ASN 928          2HD2      ASN 928  -5.109  -2.866   4.740
   71   2HD2  ASN 928          1HD2      ASN 928  -4.824  -2.332   6.359
   72    H    VAL 929           H        VAL 929  -4.916  -5.818   1.990
   73    HA   VAL 929           HA       VAL 929  -3.379  -3.570   1.390
   74    HB   VAL 929           HB       VAL 929  -2.991  -5.936   0.585
   75   1HG1  VAL 929          1HG1      VAL 929  -4.890  -5.065  -1.581
   76   2HG1  VAL 929          2HG1      VAL 929  -3.864  -6.499  -1.633
   77   3HG1  VAL 929          3HG1      VAL 929  -5.144  -6.371  -0.425
   78   1HG2  VAL 929          1HG2      VAL 929  -1.796  -5.179  -1.404
   79   2HG2  VAL 929          2HG2      VAL 929  -2.717  -3.673  -1.383
   80   3HG2  VAL 929          3HG2      VAL 929  -1.607  -4.049  -0.064
   81    H    THR 930           H        THR 930  -6.580  -4.507   0.133
   82    HA   THR 930           HA       THR 930  -6.752  -2.196  -1.539
   83    HB   THR 930           HB       THR 930  -9.289  -2.621  -1.336
   84    HG1  THR 930           HG1      THR 930  -8.500  -5.187  -0.440
   85   1HG2  THR 930          1HG2      THR 930  -9.198  -4.482  -2.918
   86   2HG2  THR 930          2HG2      THR 930  -7.966  -3.274  -3.284
   87   3HG2  THR 930          3HG2      THR 930  -7.516  -4.778  -2.481
   88    H    GLY 931           H        GLY 931  -7.529  -2.982   1.774
   89   1HA   GLY 931          HA1       GLY 931  -8.745  -0.619   2.607
   90   2HA   GLY 931          HA2       GLY 931  -7.739  -1.644   3.623
   91    H    LEU 932           H        LEU 932  -5.334  -1.310   2.017
   92    HA   LEU 932           HA       LEU 932  -4.276   1.080   3.044
   93   1HB   LEU 932          HB1       LEU 932  -2.638  -0.450   2.587
   94   2HB   LEU 932          HB2       LEU 932  -3.430  -1.026   1.134
   95    HG   LEU 932           HG       LEU 932  -2.570   0.895  -0.118
   96   1HD1  LEU 932          1HD1      LEU 932  -0.950   2.422   0.850
   97   2HD1  LEU 932          2HD1      LEU 932  -2.498   2.547   1.683
   98   3HD1  LEU 932          3HD1      LEU 932  -1.166   1.668   2.431
   99   1HD2  LEU 932          1HD2      LEU 932  -0.457  -0.546   1.465
  100   2HD2  LEU 932          2HD2      LEU 932  -1.250  -1.137   0.004
  101   3HD2  LEU 932          3HD2      LEU 932  -0.213   0.287  -0.070
  102    H    VAL 933           H        VAL 933  -5.433   0.235  -0.213
  103    HA   VAL 933           HA       VAL 933  -5.184   2.810  -1.321
  104    HB   VAL 933           HB       VAL 933  -7.220   0.684  -2.023
  105   1HG1  VAL 933          1HG1      VAL 933  -7.832   2.843  -2.943
  106   2HG1  VAL 933          2HG1      VAL 933  -6.210   3.048  -3.607
  107   3HG1  VAL 933          3HG1      VAL 933  -7.265   1.777  -4.228
  108   1HG2  VAL 933          1HG2      VAL 933  -5.630   0.034  -3.778
  109   2HG2  VAL 933          2HG2      VAL 933  -4.464   1.191  -3.136
  110   3HG2  VAL 933          3HG2      VAL 933  -4.964  -0.191  -2.159
  111    H    LYS 934           H        LYS 934  -7.796   1.281   0.511
  112    HA   LYS 934           HA       LYS 934  -9.696   3.339   0.311
  113   1HB   LYS 934          HB1       LYS 934  -9.295   1.595   2.749
  114   2HB   LYS 934          HB2       LYS 934 -10.771   2.398   2.250
  115   1HG   LYS 934          HG1       LYS 934  -9.444   0.111   0.806
  116   2HG   LYS 934          HG2       LYS 934 -10.834  -0.022   1.874
  117   1HD   LYS 934          HD1       LYS 934 -11.830  -0.009  -0.199
  118   2HD   LYS 934          HD2       LYS 934 -11.908   1.699   0.237
  119   1HE   LYS 934          HE1       LYS 934 -10.000   2.195  -1.131
  120   2HE   LYS 934          HE2       LYS 934  -9.714   0.481  -1.433
  121   1HZ   LYS 934          HZ1       LYS 934 -10.865   1.778  -3.246
  122   2HZ   LYS 934          HZ2       LYS 934 -11.613   0.334  -2.768
  123   3HZ   LYS 934          HZ3       LYS 934 -12.229   1.828  -2.235
  124    H    ALA 935           H        ALA 935  -6.867   2.933   2.291
  125    HA   ALA 935           HA       ALA 935  -7.509   5.120   4.046
  126   1HB   ALA 935          HB1       ALA 935  -6.254   3.189   4.868
  127   2HB   ALA 935          HB2       ALA 935  -4.934   3.595   3.770
  128   3HB   ALA 935          HB3       ALA 935  -5.366   4.698   5.075
  129    H    VAL 936           H        VAL 936  -5.701   4.645   1.073
  130    HA   VAL 936           HA       VAL 936  -4.613   7.288   1.247
  131    HB   VAL 936           HB       VAL 936  -3.616   7.012  -0.787
  132   1HG1  VAL 936          1HG1      VAL 936  -3.929   4.199   0.208
  133   2HG1  VAL 936          2HG1      VAL 936  -2.673   4.771  -0.893
  134   3HG1  VAL 936          3HG1      VAL 936  -2.747   5.387   0.759
  135   1HG2  VAL 936          1HG2      VAL 936  -5.613   6.613  -2.136
  136   2HG2  VAL 936          2HG2      VAL 936  -4.320   5.494  -2.574
  137   3HG2  VAL 936          3HG2      VAL 936  -5.664   4.942  -1.573
  138    H    ILE 937           H        ILE 937  -7.630   5.960   0.512
  139    HA   ILE 937           HA       ILE 937  -8.661   8.200  -0.929
  140    HB   ILE 937           HB       ILE 937 -10.093   6.145   0.770
  141   1HG1  ILE 937          1HG1      ILE 937  -9.783   6.409  -2.231
  142   2HG1  ILE 937          2HG1      ILE 937  -8.993   5.210  -1.214
  143   1HG2  ILE 937          1HG2      ILE 937 -11.260   8.174  -1.138
  144   2HG2  ILE 937          2HG2      ILE 937 -12.156   6.911  -0.294
  145   3HG2  ILE 937          3HG2      ILE 937 -11.395   8.211   0.621
  146   1HD1  ILE 937          1HD1      ILE 937 -11.166   4.253  -0.656
  147   2HD1  ILE 937          2HD1      ILE 937 -11.955   5.453  -1.679
  148   3HD1  ILE 937          3HD1      ILE 937 -10.880   4.254  -2.396
  149    H    GLU 938           H        GLU 938  -8.228   7.323   2.432
  150    HA   GLU 938           HA       GLU 938  -9.394   9.469   3.730
  151   1HB   GLU 938          HB1       GLU 938  -6.676   8.290   4.358
  152   2HB   GLU 938          HB2       GLU 938  -7.672   9.237   5.455
  153   1HG   GLU 938          HG1       GLU 938  -8.469   6.577   4.299
  154   2HG   GLU 938          HG2       GLU 938  -7.750   6.805   5.891
  155    H    MET 939           H        MET 939  -6.202   9.277   2.177
  156    HA   MET 939           HA       MET 939  -5.369  11.846   2.993
  157   1HB   MET 939          HB1       MET 939  -3.474  11.578   1.704
  158   2HB   MET 939          HB2       MET 939  -3.951   9.909   1.969
  159   1HG   MET 939          HG1       MET 939  -4.910   9.794  -0.241
  160   2HG   MET 939          HG2       MET 939  -4.572  11.503  -0.506
  161   1HE   MET 939          HE1       MET 939  -3.444  10.750  -2.820
  162   2HE   MET 939          HE2       MET 939  -2.097   9.614  -2.922
  163   3HE   MET 939          HE3       MET 939  -3.699   9.046  -2.449
  164    H    SER 940           H        SER 940  -7.097  10.763   0.095
  165    HA   SER 940           HA       SER 940  -6.957  13.273  -1.209
  166   1HB   SER 940          HB1       SER 940  -8.954  12.251  -2.527
  167   2HB   SER 940          HB2       SER 940  -7.362  11.507  -2.666
  168    HG   SER 940           HG       SER 940  -9.683  10.536  -1.543
  169    H    SER 941           H        SER 941  -9.105  11.943   1.195
  170    HA   SER 941           HA       SER 941 -11.141  13.960   0.753
  171   1HB   SER 941          HB1       SER 941 -10.855  12.014   3.065
  172   2HB   SER 941          HB2       SER 941 -12.304  12.911   2.607
  173    HG   SER 941           HG       SER 941 -11.056  10.747   1.281
  174    H    LYS 942           H        LYS 942  -8.631  13.097   2.964
  175    HA   LYS 942           HA       LYS 942  -8.896  15.055   4.914
  176   1HB   LYS 942          HB1       LYS 942  -7.594  13.036   5.198
  177   2HB   LYS 942          HB2       LYS 942  -6.515  13.496   3.896
  178   1HG   LYS 942          HG1       LYS 942  -5.519  13.755   6.107
  179   2HG   LYS 942          HG2       LYS 942  -5.605  15.280   5.221
  180   1HD   LYS 942          HD1       LYS 942  -6.222  15.637   7.492
  181   2HD   LYS 942          HD2       LYS 942  -7.645  15.836   6.452
  182   1HE   LYS 942          HE1       LYS 942  -8.310  14.599   8.403
  183   2HE   LYS 942          HE2       LYS 942  -8.295  13.496   7.028
  184   1HZ   LYS 942          HZ1       LYS 942  -6.170  13.751   9.088
  185   2HZ   LYS 942          HZ2       LYS 942  -7.281  12.475   8.954
  186   3HZ   LYS 942          HZ3       LYS 942  -6.117  12.711   7.751
  187    H    ILE 943           H        ILE 943  -7.112  15.094   1.843
  188    HA   ILE 943           HA       ILE 943  -5.867  17.607   2.372
  189    HB   ILE 943           HB       ILE 943  -4.961  15.867   0.817
  190   1HG1  ILE 943          1HG1      ILE 943  -4.385  18.408   0.793
  191   2HG1  ILE 943          2HG1      ILE 943  -3.816  17.378  -0.511
  192   1HG2  ILE 943          1HG2      ILE 943  -7.099  16.861  -1.050
  193   2HG2  ILE 943          2HG2      ILE 943  -5.772  15.785  -1.485
  194   3HG2  ILE 943          3HG2      ILE 943  -6.995  15.254  -0.331
  195   1HD1  ILE 943          1HD1      ILE 943  -4.628  19.489  -1.362
  196   2HD1  ILE 943          2HD1      ILE 943  -5.650  18.166  -1.923
  197   3HD1  ILE 943          3HD1      ILE 943  -6.201  19.211  -0.614
  198    H    GLN 944           H        GLN 944  -8.890  16.623   0.902
  199    HA   GLN 944           HA       GLN 944  -9.514  18.786  -0.668
  200   1HB   GLN 944          HB1       GLN 944 -11.322  17.059   1.003
  201   2HB   GLN 944          HB2       GLN 944 -11.937  18.293  -0.087
  202   1HG   GLN 944          HG1       GLN 944 -10.905  17.178  -1.970
  203   2HG   GLN 944          HG2       GLN 944 -10.204  15.973  -0.892
  204   1HE2  GLN 944          2HE2      GLN 944 -11.230  14.276  -1.892
  205   2HE2  GLN 944          1HE2      GLN 944 -12.929  13.993  -1.747
  206    HA   PRO 945           HA       PRO 945 -11.358  21.428   2.672
  207   1HB   PRO 945          HB1       PRO 945 -12.246  20.472   4.997
  208   2HB   PRO 945          HB2       PRO 945 -13.046  20.054   3.478
  209   1HG   PRO 945          HG1       PRO 945 -11.348  18.389   5.223
  210   2HG   PRO 945          HG2       PRO 945 -12.577  17.894   4.048
  211   1HD   PRO 945          HD1       PRO 945  -9.704  18.039   3.709
  212   2HD   PRO 945          HD2       PRO 945 -10.922  17.427   2.572
  213    H    ALA 946           H        ALA 946  -8.462  20.227   3.168
  214    HA   ALA 946           HA       ALA 946  -8.020  21.527   5.769
  215   1HB   ALA 946          HB1       ALA 946  -7.695  19.112   5.811
  216   2HB   ALA 946          HB2       ALA 946  -6.483  19.255   4.536
  217   3HB   ALA 946          HB3       ALA 946  -6.189  19.979   6.117
  218    HA   PRO 947           HA       PRO 947  -4.815  24.019   3.834
  219   1HB   PRO 947          HB1       PRO 947  -3.697  24.503   6.451
  220   2HB   PRO 947          HB2       PRO 947  -4.675  25.594   5.468
  221   1HG   PRO 947          HG1       PRO 947  -5.514  24.499   7.836
  222   2HG   PRO 947          HG2       PRO 947  -6.608  25.031   6.546
  223   1HD   PRO 947          HD1       PRO 947  -5.652  22.269   7.203
  224   2HD   PRO 947          HD2       PRO 947  -7.276  22.818   6.727
  225    HA   PRO 948           HA       PRO 948  -0.971  21.786   3.616
  226   1HB   PRO 948          HB1       PRO 948   0.907  23.382   4.927
  227   2HB   PRO 948          HB2       PRO 948   0.466  23.493   3.221
  228   1HG   PRO 948          HG1       PRO 948  -0.500  25.105   5.541
  229   2HG   PRO 948          HG2       PRO 948  -0.148  25.627   3.883
  230   1HD   PRO 948          HD1       PRO 948  -2.660  25.299   4.702
  231   2HD   PRO 948          HD2       PRO 948  -2.172  24.805   3.067
  232    H    GLU 949           H        GLU 949  -1.825  23.000   6.771
  233    HA   GLU 949           HA       GLU 949  -0.100  21.516   8.366
  234   1HB   GLU 949          HB1       GLU 949  -2.952  22.328   8.905
  235   2HB   GLU 949          HB2       GLU 949  -1.847  21.701  10.120
  236   1HG   GLU 949          HG1       GLU 949  -0.323  23.633   9.504
  237   2HG   GLU 949          HG2       GLU 949  -1.703  24.295   8.632
  238    H    GLU 950           H        GLU 950  -3.289  20.606   7.025
  239    HA   GLU 950           HA       GLU 950  -2.822  17.902   7.995
  240   1HB   GLU 950          HB1       GLU 950  -5.227  19.144   6.707
  241   2HB   GLU 950          HB2       GLU 950  -5.072  17.408   6.942
  242   1HG   GLU 950          HG1       GLU 950  -6.279  18.033   8.788
  243   2HG   GLU 950          HG2       GLU 950  -4.635  18.044   9.418
  244    H    TYR 951           H        TYR 951  -1.943  19.615   5.340
  245    HA   TYR 951           HA       TYR 951  -2.222  17.747   3.279
  246   1HB   TYR 951          HB1       TYR 951  -0.316  19.943   3.876
  247   2HB   TYR 951          HB2       TYR 951   0.240  18.719   2.740
  248    HD1  TYR 951           HD1      TYR 951   0.201  19.709   0.654
  249    HD2  TYR 951           HD2      TYR 951  -3.169  20.204   3.203
  250    HE1  TYR 951           HE1      TYR 951  -1.010  20.806  -1.176
  251    HE2  TYR 951           HE2      TYR 951  -4.394  21.309   1.376
  252    HH   TYR 951           HH       TYR 951  -3.939  22.502  -0.703
  253    H    VAL 952           H        VAL 952   0.259  18.028   5.833
  254    HA   VAL 952           HA       VAL 952   1.443  15.560   5.004
  255    HB   VAL 952           HB       VAL 952   3.039  16.807   6.040
  256   1HG1  VAL 952          1HG1      VAL 952   2.824  17.935   8.218
  257   2HG1  VAL 952          2HG1      VAL 952   1.677  18.530   7.020
  258   3HG1  VAL 952          3HG1      VAL 952   1.135  17.430   8.289
  259   1HG2  VAL 952          1HG2      VAL 952   3.159  14.555   6.897
  260   2HG2  VAL 952          2HG2      VAL 952   3.676  15.697   8.136
  261   3HG2  VAL 952          3HG2      VAL 952   2.073  14.970   8.224
  262    HA   PRO 953           HA       PRO 953  -1.212  13.634   8.765
  263   1HB   PRO 953          HB1       PRO 953  -3.482  15.470   8.169
  264   2HB   PRO 953          HB2       PRO 953  -3.104  14.600   9.667
  265   1HG   PRO 953          HG1       PRO 953  -2.507  17.163   9.473
  266   2HG   PRO 953          HG2       PRO 953  -1.353  16.038  10.215
  267   1HD   PRO 953          HD1       PRO 953  -1.290  17.316   7.524
  268   2HD   PRO 953          HD2       PRO 953   0.050  16.900   8.608
  269    H    MET 954           H        MET 954  -2.504  14.973   5.684
  270    HA   MET 954           HA       MET 954  -4.288  12.816   5.312
  271   1HB   MET 954          HB1       MET 954  -4.579  13.486   3.065
  272   2HB   MET 954          HB2       MET 954  -4.276  14.974   3.945
  273   1HG   MET 954          HG1       MET 954  -2.298  15.341   2.930
  274   2HG   MET 954          HG2       MET 954  -1.953  13.626   2.716
  275   1HE   MET 954          HE1       MET 954  -1.065  15.212   0.389
  276   2HE   MET 954          HE2       MET 954  -1.216  13.456   0.310
  277   3HE   MET 954          HE3       MET 954  -1.863  14.455  -0.991
  278    H    VAL 955           H        VAL 955  -1.012  13.391   4.134
  279    HA   VAL 955           HA       VAL 955  -0.595  10.821   3.148
  280    HB   VAL 955           HB       VAL 955   0.905  13.079   3.143
  281   1HG1  VAL 955          1HG1      VAL 955   2.342  11.199   5.001
  282   2HG1  VAL 955          2HG1      VAL 955   3.044  12.624   4.234
  283   3HG1  VAL 955          3HG1      VAL 955   1.732  12.806   5.400
  284   1HG2  VAL 955          1HG2      VAL 955   0.985  11.343   1.488
  285   2HG2  VAL 955          2HG2      VAL 955   2.623  11.730   2.016
  286   3HG2  VAL 955          3HG2      VAL 955   1.827  10.270   2.605
  287    H    LYS 956           H        LYS 956  -0.677  11.989   6.416
  288    HA   LYS 956           HA       LYS 956   0.787   9.876   7.639
  289   1HB   LYS 956          HB1       LYS 956   0.115  11.919   8.841
  290   2HB   LYS 956          HB2       LYS 956  -1.571  11.456   8.690
  291   1HG   LYS 956          HG1       LYS 956  -1.088   9.445  10.056
  292   2HG   LYS 956          HG2       LYS 956   0.552  10.058  10.296
  293   1HD   LYS 956          HD1       LYS 956  -1.974  11.531  11.044
  294   2HD   LYS 956          HD2       LYS 956  -0.976  10.608  12.168
  295   1HE   LYS 956          HE1       LYS 956   0.139  12.859  10.517
  296   2HE   LYS 956          HE2       LYS 956  -0.628  13.138  12.079
  297   1HZ   LYS 956          HZ1       LYS 956   1.857  12.883  12.098
  298   2HZ   LYS 956          HZ2       LYS 956   1.012  11.876  13.170
  299   3HZ   LYS 956          HZ3       LYS 956   1.627  11.244  11.720
  300    H    GLU 957           H        GLU 957  -2.528  10.273   6.622
  301    HA   GLU 957           HA       GLU 957  -3.628   7.908   7.549
  302   1HB   GLU 957          HB1       GLU 957  -4.346   9.330   4.984
  303   2HB   GLU 957          HB2       GLU 957  -5.358   8.184   5.852
  304   1HG   GLU 957          HG1       GLU 957  -4.502  10.919   6.761
  305   2HG   GLU 957          HG2       GLU 957  -6.128  10.389   6.333
  306    H    VAL 958           H        VAL 958  -2.074   8.452   4.320
  307    HA   VAL 958           HA       VAL 958  -2.311   5.749   3.548
  308    HB   VAL 958           HB       VAL 958  -0.735   6.135   1.794
  309   1HG1  VAL 958          1HG1      VAL 958  -2.356   8.617   2.329
  310   2HG1  VAL 958          2HG1      VAL 958  -1.616   8.200   0.782
  311   3HG1  VAL 958          3HG1      VAL 958  -2.874   7.171   1.466
  312   1HG2  VAL 958          1HG2      VAL 958   1.045   7.207   3.063
  313   2HG2  VAL 958          2HG2      VAL 958   0.629   8.150   1.632
  314   3HG2  VAL 958          3HG2      VAL 958   0.068   8.667   3.221
  315    H    GLY 959           H        GLY 959   0.018   7.331   5.630
  316   1HA   GLY 959          HA1       GLY 959   1.980   5.263   5.542
  317   2HA   GLY 959          HA2       GLY 959   1.821   6.483   6.798
  318    H    LEU 960           H        LEU 960  -0.613   5.998   7.838
  319    HA   LEU 960           HA       LEU 960  -0.484   3.721   9.432
  320   1HB   LEU 960          HB1       LEU 960  -1.956   5.561   9.953
  321   2HB   LEU 960          HB2       LEU 960  -2.856   5.321   8.469
  322    HG   LEU 960           HG       LEU 960  -3.581   3.086   9.376
  323   1HD1  LEU 960          1HD1      LEU 960  -1.830   2.757  11.017
  324   2HD1  LEU 960          2HD1      LEU 960  -2.373   4.178  11.910
  325   3HD1  LEU 960          3HD1      LEU 960  -3.410   2.756  11.798
  326   1HD2  LEU 960          1HD2      LEU 960  -5.042   5.034   9.413
  327   2HD2  LEU 960          2HD2      LEU 960  -5.274   4.044  10.855
  328   3HD2  LEU 960          3HD2      LEU 960  -4.345   5.540  10.952
  329    H    ALA 961           H        ALA 961  -1.877   4.207   6.292
  330    HA   ALA 961           HA       ALA 961  -3.313   1.850   5.994
  331   1HB   ALA 961          HB1       ALA 961  -3.121   2.203   3.601
  332   2HB   ALA 961          HB2       ALA 961  -3.450   3.717   4.443
  333   3HB   ALA 961          HB3       ALA 961  -1.820   3.364   3.868
  334    H    LEU 962           H        LEU 962   0.065   2.420   4.823
  335    HA   LEU 962           HA       LEU 962   0.505  -0.279   4.187
  336   1HB   LEU 962          HB1       LEU 962   1.957   1.300   3.238
  337   2HB   LEU 962          HB2       LEU 962   2.372   1.984   4.801
  338    HG   LEU 962           HG       LEU 962   3.550  -0.164   5.347
  339   1HD1  LEU 962          1HD1      LEU 962   2.396  -1.634   3.813
  340   2HD1  LEU 962          2HD1      LEU 962   3.043  -0.741   2.436
  341   3HD1  LEU 962          3HD1      LEU 962   4.130  -1.649   3.485
  342   1HD2  LEU 962          1HD2      LEU 962   4.527   1.304   2.904
  343   2HD2  LEU 962          2HD2      LEU 962   4.770   1.804   4.577
  344   3HD2  LEU 962          3HD2      LEU 962   5.513   0.317   3.984
  345    H    ARG 963           H        ARG 963   1.030   1.456   7.269
  346    HA   ARG 963           HA       ARG 963   2.306  -0.669   8.574
  347   1HB   ARG 963          HB1       ARG 963   0.493   1.437   9.748
  348   2HB   ARG 963          HB2       ARG 963   1.493   0.342  10.692
  349   1HG   ARG 963          HG1       ARG 963   3.449   1.298   9.305
  350   2HG   ARG 963          HG2       ARG 963   2.326   2.604   8.926
  351   1HD   ARG 963          HD1       ARG 963   3.321   1.753  11.635
  352   2HD   ARG 963          HD2       ARG 963   3.600   3.288  10.816
  353    HE   ARG 963           HE       ARG 963   1.044   2.410  11.991
  354   1HH1  ARG 963          2HH1      ARG 963   3.133   4.951  10.771
  355   2HH1  ARG 963          1HH1      ARG 963   2.086   6.228  11.319
  356   1HH2  ARG 963          2HH2      ARG 963  -0.303   4.085  12.721
  357   2HH2  ARG 963          1HH2      ARG 963   0.146   5.741  12.424
  358    H    THR 964           H        THR 964  -1.173   0.145   8.584
  359    HA   THR 964           HA       THR 964  -2.107  -2.169   9.811
  360    HB   THR 964           HB       THR 964  -3.513  -0.919   7.447
  361    HG1  THR 964           HG1      THR 964  -3.065   0.849   8.652
  362   1HG2  THR 964          1HG2      THR 964  -4.554  -2.908   8.451
  363   2HG2  THR 964          2HG2      THR 964  -4.530  -2.120  10.029
  364   3HG2  THR 964          3HG2      THR 964  -5.526  -1.464   8.730
  365    H    LEU 965           H        LEU 965  -1.192  -1.617   6.461
  366    HA   LEU 965           HA       LEU 965  -1.838  -4.139   5.412
  367   1HB   LEU 965          HB1       LEU 965  -1.337  -2.234   3.999
  368   2HB   LEU 965          HB2       LEU 965   0.306  -2.179   4.607
  369    HG   LEU 965           HG       LEU 965   0.752  -4.373   3.567
  370   1HD1  LEU 965          1HD1      LEU 965  -2.037  -4.060   2.477
  371   2HD1  LEU 965          2HD1      LEU 965  -0.868  -5.273   1.960
  372   3HD1  LEU 965          3HD1      LEU 965  -1.488  -5.291   3.612
  373   1HD2  LEU 965          1HD2      LEU 965   0.800  -3.578   1.277
  374   2HD2  LEU 965          2HD2      LEU 965  -0.367  -2.314   1.673
  375   3HD2  LEU 965          3HD2      LEU 965   1.246  -2.284   2.389
  376    H    LEU 966           H        LEU 966   0.807  -3.060   7.360
  377    HA   LEU 966           HA       LEU 966   2.623  -5.176   6.826
  378   1HB   LEU 966          HB1       LEU 966   2.329  -3.449   9.281
  379   2HB   LEU 966          HB2       LEU 966   3.645  -4.579   9.026
  380    HG   LEU 966           HG       LEU 966   3.047  -2.149   7.333
  381   1HD1  LEU 966          1HD1      LEU 966   3.951  -1.559   9.503
  382   2HD1  LEU 966          2HD1      LEU 966   5.264  -2.717   9.294
  383   3HD1  LEU 966          3HD1      LEU 966   5.161  -1.302   8.247
  384   1HD2  LEU 966          1HD2      LEU 966   5.159  -2.659   6.208
  385   2HD2  LEU 966          2HD2      LEU 966   5.305  -4.143   7.150
  386   3HD2  LEU 966          3HD2      LEU 966   3.986  -3.959   5.995
  387    H    ALA 967           H        ALA 967  -0.140  -4.854   8.949
  388    HA   ALA 967           HA       ALA 967   0.182  -7.279  10.370
  389   1HB   ALA 967          HB1       ALA 967  -2.203  -7.155  10.812
  390   2HB   ALA 967          HB2       ALA 967  -1.471  -5.561  10.990
  391   3HB   ALA 967          HB3       ALA 967  -2.397  -5.948   9.541
  392    H    THR 968           H        THR 968  -1.340  -6.503   7.277
  393    HA   THR 968           HA       THR 968  -2.125  -9.113   6.539
  394    HB   THR 968           HB       THR 968  -1.425  -6.643   4.987
  395    HG1  THR 968           HG1      THR 968  -3.823  -8.065   4.756
  396   1HG2  THR 968          1HG2      THR 968  -2.074  -7.754   2.906
  397   2HG2  THR 968          2HG2      THR 968  -0.622  -8.479   3.596
  398   3HG2  THR 968          3HG2      THR 968  -2.175  -9.296   3.757
  399    H    VAL 969           H        VAL 969   0.873  -7.331   5.986
  400    HA   VAL 969           HA       VAL 969   2.312  -9.213   4.573
  401    HB   VAL 969           HB       VAL 969   3.372  -7.311   6.670
  402   1HG1  VAL 969          1HG1      VAL 969   5.028  -9.015   6.205
  403   2HG1  VAL 969          2HG1      VAL 969   4.824  -8.775   4.471
  404   3HG1  VAL 969          3HG1      VAL 969   5.516  -7.491   5.463
  405   1HG2  VAL 969          1HG2      VAL 969   2.131  -6.191   4.899
  406   2HG2  VAL 969          2HG2      VAL 969   3.857  -5.845   4.772
  407   3HG2  VAL 969          3HG2      VAL 969   3.108  -7.012   3.682
  408    H    ASP 970           H        ASP 970   1.563  -9.175   7.993
  409    HA   ASP 970           HA       ASP 970   3.471 -11.203   8.693
  410   1HB   ASP 970          HB1       ASP 970   2.710  -9.532  10.333
  411   2HB   ASP 970          HB2       ASP 970   1.070 -10.158  10.212
  412    H    GLU 971           H        GLU 971   0.180 -11.215   7.644
  413    HA   GLU 971           HA       GLU 971  -0.288 -13.990   8.189
  414   1HB   GLU 971          HB1       GLU 971  -1.477 -12.209   6.049
  415   2HB   GLU 971          HB2       GLU 971  -2.103 -13.782   6.533
  416   1HG   GLU 971          HG1       GLU 971  -1.852 -11.403   8.346
  417   2HG   GLU 971          HG2       GLU 971  -3.336 -11.890   7.511
  418    H    SER 972           H        SER 972   0.711 -12.154   5.405
  419    HA   SER 972           HA       SER 972   1.172 -14.342   3.694
  420   1HB   SER 972          HB1       SER 972   0.676 -12.145   2.835
  421   2HB   SER 972          HB2       SER 972   2.131 -11.484   3.593
  422    HG   SER 972           HG       SER 972   3.246 -13.162   2.246
  423    H    LEU 973           H        LEU 973   3.094 -12.854   6.160
  424    HA   LEU 973           HA       LEU 973   5.657 -13.491   5.215
  425   1HB   LEU 973          HB1       LEU 973   4.880 -12.000   7.218
  426   2HB   LEU 973          HB2       LEU 973   5.010 -13.479   8.146
  427    HG   LEU 973           HG       LEU 973   7.311 -12.344   6.557
  428   1HD1  LEU 973          1HD1      LEU 973   6.652 -11.934   9.470
  429   2HD1  LEU 973          2HD1      LEU 973   8.141 -11.436   8.667
  430   3HD1  LEU 973          3HD1      LEU 973   6.604 -10.703   8.207
  431   1HD2  LEU 973          1HD2      LEU 973   7.196 -14.334   8.823
  432   2HD2  LEU 973          2HD2      LEU 973   7.495 -14.712   7.126
  433   3HD2  LEU 973          3HD2      LEU 973   8.661 -13.748   8.033
  434    HA   PRO 974           HA       PRO 974   5.335 -17.773   7.540
  435   1HB   PRO 974          HB1       PRO 974   2.376 -18.052   7.565
  436   2HB   PRO 974          HB2       PRO 974   3.570 -18.620   8.739
  437   1HG   PRO 974          HG1       PRO 974   2.046 -16.513   9.282
  438   2HG   PRO 974          HG2       PRO 974   3.757 -16.539   9.750
  439   1HD   PRO 974          HD1       PRO 974   2.439 -15.151   7.453
  440   2HD   PRO 974          HD2       PRO 974   3.729 -14.574   8.527
  441    H    VAL 975           H        VAL 975   2.989 -16.497   5.240
  442    HA   VAL 975           HA       VAL 975   3.073 -18.918   3.628
  443    HB   VAL 975           HB       VAL 975   2.164 -16.272   2.544
  444   1HG1  VAL 975          1HG1      VAL 975   2.275 -18.146   1.003
  445   2HG1  VAL 975          2HG1      VAL 975   1.301 -19.131   2.096
  446   3HG1  VAL 975          3HG1      VAL 975   0.594 -17.717   1.315
  447   1HG2  VAL 975          1HG2      VAL 975   1.112 -16.474   4.728
  448   2HG2  VAL 975          2HG2      VAL 975  -0.071 -16.728   3.446
  449   3HG2  VAL 975          3HG2      VAL 975   0.575 -18.107   4.335
  450    H    LEU 976           H        LEU 976   5.151 -16.318   4.094
  451    HA   LEU 976           HA       LEU 976   6.376 -16.141   1.561
  452   1HB   LEU 976          HB1       LEU 976   6.739 -14.362   3.044
  453   2HB   LEU 976          HB2       LEU 976   7.259 -15.415   4.340
  454    HG   LEU 976           HG       LEU 976   8.935 -15.126   1.862
  455   1HD1  LEU 976          1HD1      LEU 976  10.119 -13.278   2.932
  456   2HD1  LEU 976          2HD1      LEU 976   8.439 -12.856   2.603
  457   3HD1  LEU 976          3HD1      LEU 976   8.937 -13.273   4.242
  458   1HD2  LEU 976          1HD2      LEU 976  10.760 -15.568   3.420
  459   2HD2  LEU 976          2HD2      LEU 976   9.616 -15.624   4.761
  460   3HD2  LEU 976          3HD2      LEU 976   9.551 -16.850   3.495
  461    HA   PRO 977           HA       PRO 977   9.527 -19.517   3.040
  462   1HB   PRO 977          HB1       PRO 977   8.694 -21.114   5.110
  463   2HB   PRO 977          HB2       PRO 977   9.808 -19.755   5.296
  464   1HG   PRO 977          HG1       PRO 977   6.875 -19.890   5.825
  465   2HG   PRO 977          HG2       PRO 977   8.149 -19.080   6.755
  466   1HD   PRO 977          HD1       PRO 977   6.499 -17.729   5.109
  467   2HD   PRO 977          HD2       PRO 977   8.191 -17.253   5.348
  468    H    ALA 978           H        ALA 978   6.048 -19.864   3.363
  469    HA   ALA 978           HA       ALA 978   5.842 -22.450   2.254
  470   1HB   ALA 978          HB1       ALA 978   3.536 -21.899   1.780
  471   2HB   ALA 978          HB2       ALA 978   3.976 -21.284   3.372
  472   3HB   ALA 978          HB3       ALA 978   3.870 -20.182   1.999
  473    H    SER 979           H        SER 979   5.410 -19.273   0.626
  474    HA   SER 979           HA       SER 979   6.832 -20.133  -1.706
  475   1HB   SER 979          HB1       SER 979   3.811 -20.092  -1.754
  476   2HB   SER 979          HB2       SER 979   4.768 -19.897  -3.227
  477    HG   SER 979           HG       SER 979   5.559 -22.015  -1.673
  478    H    THR 980           H        THR 980   4.701 -17.827  -0.174
  479    HA   THR 980           HA       THR 980   4.500 -15.853  -2.085
  480    HB   THR 980           HB       THR 980   4.588 -15.360   0.882
  481    HG1  THR 980           HG1      THR 980   2.407 -15.894   0.813
  482   1HG2  THR 980          1HG2      THR 980   3.175 -13.929  -1.375
  483   2HG2  THR 980          2HG2      THR 980   3.053 -13.531   0.339
  484   3HG2  THR 980          3HG2      THR 980   4.590 -13.333  -0.504
  485    H    HIS 981           H        HIS 981   7.346 -16.536  -0.243
  486    HA   HIS 981           HA       HIS 981   8.438 -14.082   0.247
  487   1HB   HIS 981          HB1       HIS 981  10.662 -15.112   0.134
  488   2HB   HIS 981          HB2       HIS 981   9.513 -16.145   0.970
  489    HD1  HIS 981           HD1      HIS 981   9.374 -18.502   0.180
  490    HD2  HIS 981           HD2      HIS 981  11.232 -16.022  -2.585
  491    HE1  HIS 981           HE1      HIS 981  10.204 -20.020  -1.645
  492    HE2  HIS 981           HE2      HIS 981  11.500 -18.517  -3.195
  493    H    ARG 982           H        ARG 982   7.921 -15.403  -2.866
  494    HA   ARG 982           HA       ARG 982   9.973 -13.882  -4.203
  495   1HB   ARG 982          HB1       ARG 982   7.518 -15.264  -5.308
  496   2HB   ARG 982          HB2       ARG 982   8.810 -14.571  -6.283
  497   1HG   ARG 982          HG1       ARG 982  10.394 -16.142  -5.432
  498   2HG   ARG 982          HG2       ARG 982   9.230 -16.748  -4.253
  499   1HD   ARG 982          HD1       ARG 982   9.337 -18.313  -6.045
  500   2HD   ARG 982          HD2       ARG 982   7.794 -17.472  -6.151
  501    HE   ARG 982           HE       ARG 982   9.604 -16.121  -7.783
  502   1HH1  ARG 982          2HH1      ARG 982   8.060 -19.255  -7.592
  503   2HH1  ARG 982          1HH1      ARG 982   8.100 -19.525  -9.314
  504   1HH2  ARG 982          2HH2      ARG 982   9.667 -16.457 -10.040
  505   2HH2  ARG 982          1HH2      ARG 982   8.971 -17.907 -10.716
  506    H    GLU 983           H        GLU 983   6.390 -13.577  -4.093
  507    HA   GLU 983           HA       GLU 983   6.513 -10.955  -5.225
  508   1HB   GLU 983          HB1       GLU 983   4.372 -12.743  -4.455
  509   2HB   GLU 983          HB2       GLU 983   4.061 -11.099  -3.974
  510   1HG   GLU 983          HG1       GLU 983   3.146 -11.294  -6.087
  511   2HG   GLU 983          HG2       GLU 983   4.656 -10.408  -6.286
  512    H    ILE 984           H        ILE 984   6.061 -12.208  -1.958
  513    HA   ILE 984           HA       ILE 984   5.179  -9.798  -0.852
  514    HB   ILE 984           HB       ILE 984   5.051 -12.080   0.218
  515   1HG1  ILE 984          1HG1      ILE 984   4.640  -9.832   1.390
  516   2HG1  ILE 984          2HG1      ILE 984   4.911 -11.240   2.406
  517   1HG2  ILE 984          1HG2      ILE 984   7.346 -12.770  -0.064
  518   2HG2  ILE 984          2HG2      ILE 984   7.896 -11.469   0.992
  519   3HG2  ILE 984          3HG2      ILE 984   6.912 -12.779   1.645
  520   1HD1  ILE 984          1HD1      ILE 984   6.068  -9.309   3.284
  521   2HD1  ILE 984          2HD1      ILE 984   7.230 -10.524   2.752
  522   3HD1  ILE 984          3HD1      ILE 984   6.927  -9.099   1.757
  523    H    GLU 985           H        GLU 985   8.399 -11.040  -1.493
  524    HA   GLU 985           HA       GLU 985   9.705  -8.840  -0.233
  525   1HB   GLU 985          HB1       GLU 985  10.683 -10.919  -2.172
  526   2HB   GLU 985          HB2       GLU 985  11.712  -9.627  -1.568
  527   1HG   GLU 985          HG1       GLU 985  11.158 -10.426   0.753
  528   2HG   GLU 985          HG2       GLU 985  10.404 -11.833   0.004
  529    H    MET 986           H        MET 986   8.406  -9.406  -3.484
  530    HA   MET 986           HA       MET 986   9.948  -7.342  -4.660
  531   1HB   MET 986          HB1       MET 986   8.872  -7.712  -6.655
  532   2HB   MET 986          HB2       MET 986   8.776  -9.273  -5.865
  533   1HG   MET 986          HG1       MET 986   6.476  -8.936  -5.332
  534   2HG   MET 986          HG2       MET 986   6.540  -7.263  -5.887
  535   1HE   MET 986          HE1       MET 986   4.303  -8.782  -8.683
  536   2HE   MET 986          HE2       MET 986   4.241  -9.069  -6.944
  537   3HE   MET 986          HE3       MET 986   4.529  -7.441  -7.558
  538    H    ALA 987           H        ALA 987   6.549  -7.370  -3.603
  539    HA   ALA 987           HA       ALA 987   6.283  -4.595  -4.263
  540   1HB   ALA 987          HB1       ALA 987   4.003  -4.791  -3.549
  541   2HB   ALA 987          HB2       ALA 987   4.426  -6.150  -4.589
  542   3HB   ALA 987          HB3       ALA 987   4.327  -6.373  -2.843
  543    H    GLN 988           H        GLN 988   6.756  -6.468  -1.296
  544    HA   GLN 988           HA       GLN 988   6.041  -4.458   0.505
  545   1HB   GLN 988          HB1       GLN 988   6.430  -6.691   1.318
  546   2HB   GLN 988          HB2       GLN 988   8.105  -6.648   0.792
  547   1HG   GLN 988          HG1       GLN 988   8.005  -6.395   3.176
  548   2HG   GLN 988          HG2       GLN 988   8.558  -4.885   2.455
  549   1HE2  GLN 988          2HE2      GLN 988   7.934  -3.683   4.254
  550   2HE2  GLN 988          1HE2      GLN 988   6.273  -3.366   4.609
  551    H    LYS 989           H        LYS 989   9.228  -5.173  -0.928
  552    HA   LYS 989           HA       LYS 989  10.557  -2.972   0.287
  553   1HB   LYS 989          HB1       LYS 989  11.208  -4.545  -2.211
  554   2HB   LYS 989          HB2       LYS 989  12.274  -3.338  -1.503
  555   1HG   LYS 989          HG1       LYS 989  11.342  -5.873  -0.173
  556   2HG   LYS 989          HG2       LYS 989  12.940  -5.585  -0.867
  557   1HD   LYS 989          HD1       LYS 989  13.338  -3.802   0.742
  558   2HD   LYS 989          HD2       LYS 989  11.721  -4.027   1.413
  559   1HE   LYS 989          HE1       LYS 989  13.386  -5.109   2.810
  560   2HE   LYS 989          HE2       LYS 989  12.315  -6.304   2.080
  561   1HZ   LYS 989          HZ1       LYS 989  14.665  -6.950   2.023
  562   2HZ   LYS 989          HZ2       LYS 989  13.999  -6.835   0.472
  563   3HZ   LYS 989          HZ3       LYS 989  15.014  -5.602   1.055
  564    H    LEU 990           H        LEU 990   8.550  -3.361  -2.471
  565    HA   LEU 990           HA       LEU 990   9.129  -0.858  -3.703
  566   1HB   LEU 990          HB1       LEU 990   8.223  -2.266  -5.226
  567   2HB   LEU 990          HB2       LEU 990   7.260  -3.111  -4.035
  568    HG   LEU 990           HG       LEU 990   5.643  -1.241  -4.081
  569   1HD1  LEU 990          1HD1      LEU 990   7.318  -0.311  -6.414
  570   2HD1  LEU 990          2HD1      LEU 990   5.751   0.349  -5.949
  571   3HD1  LEU 990          3HD1      LEU 990   7.137   0.526  -4.871
  572   1HD2  LEU 990          1HD2      LEU 990   6.216  -2.600  -6.700
  573   2HD2  LEU 990          2HD2      LEU 990   5.250  -3.237  -5.367
  574   3HD2  LEU 990          3HD2      LEU 990   4.694  -1.823  -6.263
  575    H    LEU 991           H        LEU 991   6.656  -2.016  -1.430
  576    HA   LEU 991           HA       LEU 991   5.085   0.291  -1.223
  577   1HB   LEU 991          HB1       LEU 991   5.784  -1.588   1.033
  578   2HB   LEU 991          HB2       LEU 991   4.382  -0.541   0.931
  579    HG   LEU 991           HG       LEU 991   4.772  -2.669  -1.125
  580   1HD1  LEU 991          1HD1      LEU 991   3.498  -4.215   0.304
  581   2HD1  LEU 991          2HD1      LEU 991   5.062  -3.812   1.014
  582   3HD1  LEU 991          3HD1      LEU 991   3.592  -3.057   1.630
  583   1HD2  LEU 991          1HD2      LEU 991   2.999  -1.054  -1.449
  584   2HD2  LEU 991          2HD2      LEU 991   2.312  -2.634  -1.068
  585   3HD2  LEU 991          3HD2      LEU 991   2.375  -1.378   0.169
  586    H    ASN 992           H        ASN 992   7.900  -0.775   0.626
  587    HA   ASN 992           HA       ASN 992   7.995   1.303   2.457
  588   1HB   ASN 992          HB1       ASN 992   9.336  -0.735   2.680
  589   2HB   ASN 992          HB2       ASN 992  10.296  -0.274   1.278
  590   1HD2  ASN 992          2HD2      ASN 992  11.890   1.246   1.492
  591   2HD2  ASN 992          1HD2      ASN 992  12.385   1.889   3.027
  592    H    SER 993           H        SER 993   9.322   1.091  -0.807
  593    HA   SER 993           HA       SER 993  10.813   3.497  -0.613
  594   1HB   SER 993          HB1       SER 993  11.347   1.722  -2.255
  595   2HB   SER 993          HB2       SER 993   9.835   2.061  -3.095
  596    HG   SER 993           HG       SER 993  10.640   3.889  -3.878
  597    H    ASP 994           H        ASP 994   7.500   2.785  -1.740
  598    HA   ASP 994           HA       ASP 994   7.392   5.524  -2.787
  599   1HB   ASP 994          HB1       ASP 994   5.684   3.115  -3.333
  600   2HB   ASP 994          HB2       ASP 994   5.196   4.736  -3.825
  601    H    LEU 995           H        LEU 995   5.601   3.403  -0.554
  602    HA   LEU 995           HA       LEU 995   3.682   5.282   0.263
  603   1HB   LEU 995          HB1       LEU 995   4.072   2.725   0.932
  604   2HB   LEU 995          HB2       LEU 995   4.913   3.438   2.285
  605    HG   LEU 995           HG       LEU 995   2.783   2.971   3.078
  606   1HD1  LEU 995          1HD1      LEU 995   1.756   5.120   3.551
  607   2HD1  LEU 995          2HD1      LEU 995   3.512   5.195   3.703
  608   3HD1  LEU 995          3HD1      LEU 995   2.721   5.868   2.278
  609   1HD2  LEU 995          1HD2      LEU 995   0.709   3.604   1.931
  610   2HD2  LEU 995          2HD2      LEU 995   1.662   4.188   0.568
  611   3HD2  LEU 995          3HD2      LEU 995   1.690   2.477   0.992
  612    H    ALA 996           H        ALA 996   6.842   4.479   1.617
  613    HA   ALA 996           HA       ALA 996   6.841   6.430   3.620
  614   1HB   ALA 996          HB1       ALA 996   9.241   5.207   2.283
  615   2HB   ALA 996          HB2       ALA 996   9.253   6.096   3.809
  616   3HB   ALA 996          HB3       ALA 996   8.386   4.563   3.685
  617    H    GLU 997           H        GLU 997   8.368   6.672   0.358
  618    HA   GLU 997           HA       GLU 997   9.277   9.249   0.908
  619   1HB   GLU 997          HB1       GLU 997   9.757   9.572  -1.386
  620   2HB   GLU 997          HB2       GLU 997  10.152   7.911  -0.967
  621   1HG   GLU 997          HG1       GLU 997   8.208   7.100  -2.099
  622   2HG   GLU 997          HG2       GLU 997   7.621   8.745  -2.366
  623    H    LEU 998           H        LEU 998   6.100   8.176  -0.167
  624    HA   LEU 998           HA       LEU 998   5.278  10.743  -1.076
  625   1HB   LEU 998          HB1       LEU 998   3.993   8.712  -1.618
  626   2HB   LEU 998          HB2       LEU 998   3.550   8.547   0.073
  627    HG   LEU 998           HG       LEU 998   2.368  10.713  -0.031
  628   1HD1  LEU 998          1HD1      LEU 998   1.959  11.773  -2.193
  629   2HD1  LEU 998          2HD1      LEU 998   3.676  11.762  -1.792
  630   3HD1  LEU 998          3HD1      LEU 998   3.039  10.613  -2.968
  631   1HD2  LEU 998          1HD2      LEU 998   1.494   8.747  -2.139
  632   2HD2  LEU 998          2HD2      LEU 998   1.121   8.658  -0.417
  633   3HD2  LEU 998          3HD2      LEU 998   0.483   9.982  -1.392
  634    H    ILE 999           H        ILE 999   5.244   9.152   2.059
  635    HA   ILE 999           HA       ILE 999   3.834  11.021   3.562
  636    HB   ILE 999           HB       ILE 999   6.233   9.385   4.412
  637   1HG1  ILE 999          1HG1      ILE 999   3.272   8.827   4.693
  638   2HG1  ILE 999          2HG1      ILE 999   4.337   8.065   3.517
  639   1HG2  ILE 999          1HG2      ILE 999   5.820  11.222   5.962
  640   2HG2  ILE 999          2HG2      ILE 999   4.128  10.741   6.098
  641   3HG2  ILE 999          3HG2      ILE 999   5.399   9.674   6.696
  642   1HD1  ILE 999          1HD1      ILE 999   3.948   6.592   5.389
  643   2HD1  ILE 999          2HD1      ILE 999   5.638   7.096   5.357
  644   3HD1  ILE 999          3HD1      ILE 999   4.524   7.828   6.511
  645    H    ASN1000           H        ASN1000   7.156  10.998   2.497
  646    HA   ASN1000           HA       ASN1000   7.719  13.554   3.856
  647   1HB   ASN1000          HB1       ASN1000   9.554  11.676   2.324
  648   2HB   ASN1000          HB2       ASN1000  10.064  13.142   3.153
  649   1HD2  ASN1000          2HD2      ASN1000   8.947   9.870   3.534
  650   2HD2  ASN1000          1HD2      ASN1000   9.359   9.714   5.203
  651    H    LYS1001           H        LYS1001   6.503  12.469   0.976
  652    HA   LYS1001           HA       LYS1001   7.789  14.416  -0.737
  653   1HB   LYS1001          HB1       LYS1001   6.742  12.084  -1.393
  654   2HB   LYS1001          HB2       LYS1001   5.248  13.008  -1.479
  655   1HG   LYS1001          HG1       LYS1001   6.025  13.054  -3.656
  656   2HG   LYS1001          HG2       LYS1001   6.582  14.599  -3.006
  657   1HD   LYS1001          HD1       LYS1001   8.783  13.586  -2.551
  658   2HD   LYS1001          HD2       LYS1001   8.219  12.074  -3.263
  659   1HE   LYS1001          HE1       LYS1001   9.431  13.132  -4.969
  660   2HE   LYS1001          HE2       LYS1001   7.738  13.430  -5.361
  661   1HZ   LYS1001          HZ1       LYS1001   9.573  15.342  -4.011
  662   2HZ   LYS1001          HZ2       LYS1001   9.078  15.423  -5.629
  663   3HZ   LYS1001          HZ3       LYS1001   7.947  15.637  -4.389
  664    H    MET1002           H        MET1002   4.625  13.853   0.740
  665    HA   MET1002           HA       MET1002   3.702  16.480   0.054
  666   1HB   MET1002          HB1       MET1002   2.017  14.790   0.312
  667   2HB   MET1002          HB2       MET1002   2.608  14.379   1.922
  668   1HG   MET1002          HG1       MET1002   0.572  15.741   1.991
  669   2HG   MET1002          HG2       MET1002   1.950  16.528   2.769
  670   1HE   MET1002          HE1       MET1002  -0.421  16.488  -0.374
  671   2HE   MET1002          HE2       MET1002   0.334  17.711  -1.397
  672   3HE   MET1002          HE3       MET1002   1.162  16.184  -1.091
  673    H    LYS1003           H        LYS1003   5.239  14.862   2.770
  674    HA   LYS1003           HA       LYS1003   5.109  16.980   4.584
  675   1HB   LYS1003          HB1       LYS1003   6.047  14.715   5.118
  676   2HB   LYS1003          HB2       LYS1003   7.480  15.138   4.189
  677   1HG   LYS1003          HG1       LYS1003   8.048  16.876   5.710
  678   2HG   LYS1003          HG2       LYS1003   6.512  16.712   6.560
  679   1HD   LYS1003          HD1       LYS1003   7.191  14.395   7.188
  680   2HD   LYS1003          HD2       LYS1003   8.774  14.718   6.473
  681   1HE   LYS1003          HE1       LYS1003   9.088  16.582   8.024
  682   2HE   LYS1003          HE2       LYS1003   7.504  16.264   8.729
  683   1HZ   LYS1003          HZ1       LYS1003   9.895  14.511   8.825
  684   2HZ   LYS1003          HZ2       LYS1003   9.133  15.288  10.123
  685   3HZ   LYS1003          HZ3       LYS1003   8.350  14.017   9.318
  686    H    LEU1004           H        LEU1004   7.601  16.235   2.125
  687    HA   LEU1004           HA       LEU1004   8.921  18.664   2.241
  688   1HB   LEU1004          HB1       LEU1004   8.617  16.567   0.154
  689   2HB   LEU1004          HB2       LEU1004   9.341  18.100  -0.307
  690    HG   LEU1004           HG       LEU1004  10.347  16.207   1.817
  691   1HD1  LEU1004          1HD1      LEU1004  11.448  16.997  -0.874
  692   2HD1  LEU1004          2HD1      LEU1004  12.274  15.986   0.311
  693   3HD1  LEU1004          3HD1      LEU1004  10.776  15.428  -0.433
  694   1HD2  LEU1004          1HD2      LEU1004  11.461  18.859   0.909
  695   2HD2  LEU1004          2HD2      LEU1004  10.726  18.524   2.476
  696   3HD2  LEU1004          3HD2      LEU1004  12.240  17.741   2.027
  697    H    ALA1005           H        ALA1005   5.993  17.858   0.402
  698    HA   ALA1005           HA       ALA1005   5.927  20.289  -1.057
  699   1HB   ALA1005          HB1       ALA1005   3.613  19.735  -1.561
  700   2HB   ALA1005          HB2       ALA1005   4.636  18.309  -1.723
  701   3HB   ALA1005          HB3       ALA1005   3.615  18.504  -0.298
  702    H    GLN1006           H        GLN1006   4.386  19.265   1.943
  703    HA   GLN1006           HA       GLN1006   3.254  21.832   2.490
  704   1HB   GLN1006          HB1       GLN1006   2.324  20.823   4.348
  705   2HB   GLN1006          HB2       GLN1006   2.619  19.412   3.344
  706   1HG   GLN1006          HG1       GLN1006   3.481  18.602   5.247
  707   2HG   GLN1006          HG2       GLN1006   4.920  19.458   4.700
  708   1HE2  GLN1006          2HE2      GLN1006   2.063  21.064   5.898
  709   2HE2  GLN1006          1HE2      GLN1006   2.773  21.665   7.358
  710    H    GLN1007           H        GLN1007   6.332  20.538   2.577
  711    HA   GLN1007           HA       GLN1007   7.385  22.320   4.585
  712   1HB   GLN1007          HB1       GLN1007   8.084  19.819   3.625
  713   2HB   GLN1007          HB2       GLN1007   9.252  20.886   2.866
  714   1HG   GLN1007          HG1       GLN1007  10.083  19.943   4.950
  715   2HG   GLN1007          HG2       GLN1007   9.949  21.701   5.049
  716   1HE2  GLN1007          2HE2      GLN1007   7.138  19.615   5.179
  717   2HE2  GLN1007          1HE2      GLN1007   6.793  19.889   6.860
  718    H    TYR1008           H        TYR1008   6.536  22.403   1.387
  719    HA   TYR1008           HA       TYR1008   8.393  24.612   0.773
  720   1HB   TYR1008          HB1       TYR1008   8.742  22.418  -0.469
  721   2HB   TYR1008          HB2       TYR1008   7.174  22.684  -1.210
  722    HD1  TYR1008           HD1      TYR1008   7.254  23.452  -3.367
  723    HD2  TYR1008           HD2      TYR1008  10.295  24.672  -0.650
  724    HE1  TYR1008           HE1      TYR1008   8.362  24.700  -5.180
  725    HE2  TYR1008           HE2      TYR1008  11.403  25.931  -2.445
  726    HH   TYR1008           HH       TYR1008  11.518  25.829  -4.945
  727    H    VAL1009           H        VAL1009   5.475  24.098   1.776
  728    HA   VAL1009           HA       VAL1009   3.683  25.122  -0.071
  729    HB   VAL1009           HB       VAL1009   2.928  24.003   1.938
  730   1HG1  VAL1009          1HG1      VAL1009   2.958  25.091   4.131
  731   2HG1  VAL1009          2HG1      VAL1009   4.586  24.783   3.526
  732   3HG1  VAL1009          3HG1      VAL1009   3.914  26.412   3.458
  733   1HG2  VAL1009          1HG2      VAL1009   1.356  25.485   0.845
  734   2HG2  VAL1009          2HG2      VAL1009   1.110  25.531   2.591
  735   3HG2  VAL1009          3HG2      VAL1009   1.952  26.854   1.785
  736    H    MET1010           H        MET1010   4.432  26.853  -1.187
  737    HA   MET1010           HA       MET1010   4.491  29.392   0.323
  738   1HB   MET1010          HB1       MET1010   5.939  28.657  -2.229
  739   2HB   MET1010          HB2       MET1010   5.855  30.289  -1.581
  740   1HG   MET1010          HG1       MET1010   7.092  27.914  -0.206
  741   2HG   MET1010          HG2       MET1010   7.966  29.197  -1.043
  742   1HE   MET1010          HE1       MET1010   8.649  28.354   1.928
  743   2HE   MET1010          HE2       MET1010   9.469  29.667   1.082
  744   3HE   MET1010          HE3       MET1010   8.818  29.931   2.700
  745    H    THR1011           H        THR1011   2.509  27.603  -1.388
  746    HA   THR1011           HA       THR1011   0.697  27.895  -2.718
  747    HB   THR1011           HB       THR1011   1.178  30.856  -2.310
  748    HG1  THR1011           HG1      THR1011   0.555  30.378  -0.341
  749   1HG2  THR1011          1HG2      THR1011  -1.293  29.356  -3.186
  750   2HG2  THR1011          2HG2      THR1011  -1.199  31.089  -2.866
  751   3HG2  THR1011          3HG2      THR1011  -0.293  30.389  -4.209
  752    H    SER1012           H        SER1012   0.441  27.750  -4.874
  753    HA   SER1012           HA       SER1012   0.948  27.734  -7.087
  754   1HB   SER1012          HB1       SER1012   1.011  30.221  -6.915
  755   2HB   SER1012          HB2       SER1012   2.730  30.124  -6.538
  756    HG   SER1012           HG       SER1012   2.680  28.810  -8.665
  757    H    LEU1013           H        LEU1013   3.975  28.699  -5.431
  758    HA   LEU1013           HA       LEU1013   5.621  26.873  -6.845
  759   1HB   LEU1013          HB1       LEU1013   6.010  28.120  -4.117
  760   2HB   LEU1013          HB2       LEU1013   7.256  27.287  -5.028
  761    HG   LEU1013           HG       LEU1013   5.883  29.843  -5.873
  762   1HD1  LEU1013          1HD1      LEU1013   8.008  30.912  -5.392
  763   2HD1  LEU1013          2HD1      LEU1013   7.370  30.129  -3.946
  764   3HD1  LEU1013          3HD1      LEU1013   8.681  29.373  -4.851
  765   1HD2  LEU1013          1HD2      LEU1013   7.599  29.909  -7.625
  766   2HD2  LEU1013          2HD2      LEU1013   8.177  28.323  -7.113
  767   3HD2  LEU1013          3HD2      LEU1013   6.556  28.497  -7.784
  768    H    GLN1014           H        GLN1014   3.587  26.642  -4.061
  769    HA   GLN1014           HA       GLN1014   4.537  24.272  -2.902
  770   1HB   GLN1014          HB1       GLN1014   2.823  25.904  -1.971
  771   2HB   GLN1014          HB2       GLN1014   1.650  25.146  -3.035
  772   1HG   GLN1014          HG1       GLN1014   3.172  23.382  -1.209
  773   2HG   GLN1014          HG2       GLN1014   1.952  24.438  -0.504
  774   1HE2  GLN1014          2HE2      GLN1014   2.545  21.716  -2.557
  775   2HE2  GLN1014          1HE2      GLN1014   0.897  21.215  -2.695
  776    H    GLN1015           H        GLN1015   2.391  24.892  -5.595
  777    HA   GLN1015           HA       GLN1015   1.389  22.251  -5.820
  778   1HB   GLN1015          HB1       GLN1015   1.366  24.615  -7.659
  779   2HB   GLN1015          HB2       GLN1015   0.740  23.054  -8.174
  780   1HG   GLN1015          HG1       GLN1015  -0.788  23.079  -6.225
  781   2HG   GLN1015          HG2       GLN1015  -0.216  24.703  -5.847
  782   1HE2  GLN1015          2HE2      GLN1015  -1.981  22.741  -8.130
  783   2HE2  GLN1015          1HE2      GLN1015  -2.826  24.049  -8.893
  784    H    GLU1016           H        GLU1016   4.129  23.893  -7.375
  785    HA   GLU1016           HA       GLU1016   5.046  21.939  -9.019
  786   1HB   GLU1016          HB1       GLU1016   6.299  24.012  -8.610
  787   2HB   GLU1016          HB2       GLU1016   6.759  23.424  -7.015
  788   1HG   GLU1016          HG1       GLU1016   7.966  21.565  -8.049
  789   2HG   GLU1016          HG2       GLU1016   7.514  22.159  -9.639
  790    H    TYR1017           H        TYR1017   5.458  21.972  -5.486
  791    HA   TYR1017           HA       TYR1017   6.672  19.363  -5.465
  792   1HB   TYR1017          HB1       TYR1017   5.951  21.402  -3.424
  793   2HB   TYR1017          HB2       TYR1017   6.012  19.726  -2.887
  794    HD1  TYR1017           HD1      TYR1017   8.193  20.866  -5.578
  795    HD2  TYR1017           HD2      TYR1017   7.905  20.203  -1.368
  796    HE1  TYR1017           HE1      TYR1017  10.639  21.013  -5.393
  797    HE2  TYR1017           HE2      TYR1017  10.356  20.341  -1.189
  798    HH   TYR1017           HH       TYR1017  12.347  20.016  -2.655
  799    H    LYS1018           H        LYS1018   3.470  20.641  -5.296
  800    HA   LYS1018           HA       LYS1018   2.217  18.366  -4.117
  801   1HB   LYS1018          HB1       LYS1018   1.256  20.675  -4.154
  802   2HB   LYS1018          HB2       LYS1018   0.975  20.487  -5.877
  803   1HG   LYS1018          HG1       LYS1018  -0.623  18.758  -5.508
  804   2HG   LYS1018          HG2       LYS1018  -0.219  18.677  -3.790
  805   1HD   LYS1018          HD1       LYS1018  -1.047  20.962  -3.486
  806   2HD   LYS1018          HD2       LYS1018  -1.441  21.052  -5.204
  807   1HE   LYS1018          HE1       LYS1018  -3.060  19.258  -4.948
  808   2HE   LYS1018          HE2       LYS1018  -2.628  19.085  -3.248
  809   1HZ   LYS1018          HZ1       LYS1018  -3.694  21.608  -4.389
  810   2HZ   LYS1018          HZ2       LYS1018  -4.690  20.413  -3.724
  811   3HZ   LYS1018          HZ3       LYS1018  -3.540  21.194  -2.750
  812    H    LYS1019           H        LYS1019   2.832  19.404  -7.441
  813    HA   LYS1019           HA       LYS1019   1.470  17.264  -8.705
  814   1HB   LYS1019          HB1       LYS1019   2.119  19.275  -9.935
  815   2HB   LYS1019          HB2       LYS1019   3.819  18.912  -9.670
  816   1HG   LYS1019          HG1       LYS1019   3.641  16.920 -11.028
  817   2HG   LYS1019          HG2       LYS1019   1.909  17.187 -11.229
  818   1HD   LYS1019          HD1       LYS1019   4.041  19.115 -12.140
  819   2HD   LYS1019          HD2       LYS1019   3.285  17.904 -13.180
  820   1HE   LYS1019          HE1       LYS1019   1.085  18.924 -12.739
  821   2HE   LYS1019          HE2       LYS1019   1.869  20.153 -11.743
  822   1HZ   LYS1019          HZ1       LYS1019   2.441  19.702 -14.624
  823   2HZ   LYS1019          HZ2       LYS1019   1.409  20.908 -14.023
  824   3HZ   LYS1019          HZ3       LYS1019   3.064  20.945 -13.651
  825    H    GLN1020           H        GLN1020   4.955  17.739  -8.109
  826    HA   GLN1020           HA       GLN1020   5.956  15.261  -8.503
  827   1HB   GLN1020          HB1       GLN1020   6.516  17.030  -6.119
  828   2HB   GLN1020          HB2       GLN1020   7.508  15.664  -6.601
  829   1HG   GLN1020          HG1       GLN1020   7.985  16.755  -8.729
  830   2HG   GLN1020          HG2       GLN1020   6.991  18.127  -8.244
  831   1HE2  GLN1020          2HE2      GLN1020   8.694  19.560  -8.377
  832   2HE2  GLN1020          1HE2      GLN1020   9.987  19.583  -7.230
  833    H    MET1021           H        MET1021   4.088  16.267  -5.672
  834    HA   MET1021           HA       MET1021   4.230  13.859  -4.238
  835   1HB   MET1021          HB1       MET1021   3.441  15.958  -3.255
  836   2HB   MET1021          HB2       MET1021   2.031  15.936  -4.300
  837   1HG   MET1021          HG1       MET1021   2.565  13.706  -2.377
  838   2HG   MET1021          HG2       MET1021   1.780  15.192  -1.858
  839   1HE   MET1021          HE1       MET1021   0.129  15.909  -4.537
  840   2HE   MET1021          HE2       MET1021  -1.433  15.178  -4.171
  841   3HE   MET1021          HE3       MET1021  -0.559  16.065  -2.922
  842    H    LEU1022           H        LEU1022   1.930  14.977  -6.700
  843    HA   LEU1022           HA       LEU1022   0.156  12.822  -6.630
  844   1HB   LEU1022          HB1       LEU1022   1.020  14.517  -8.976
  845   2HB   LEU1022          HB2       LEU1022  -0.347  13.418  -8.999
  846    HG   LEU1022           HG       LEU1022  -0.090  15.830  -7.197
  847   1HD1  LEU1022          1HD1      LEU1022  -1.761  16.853  -8.617
  848   2HD1  LEU1022          2HD1      LEU1022  -0.353  16.407  -9.579
  849   3HD1  LEU1022          3HD1      LEU1022  -1.810  15.416  -9.641
  850   1HD2  LEU1022          1HD2      LEU1022  -1.425  14.084  -6.185
  851   2HD2  LEU1022          2HD2      LEU1022  -2.469  15.395  -6.732
  852   3HD2  LEU1022          3HD2      LEU1022  -2.365  13.904  -7.668
  853    H    THR1023           H        THR1023   3.185  13.220  -8.423
  854    HA   THR1023           HA       THR1023   3.050  10.822  -9.891
  855    HB   THR1023           HB       THR1023   5.581  12.160  -8.925
  856    HG1  THR1023           HG1      THR1023   5.282  13.691 -10.418
  857   1HG2  THR1023          1HG2      THR1023   5.886   9.995 -10.048
  858   2HG2  THR1023          2HG2      THR1023   4.965  10.583 -11.431
  859   3HG2  THR1023          3HG2      THR1023   6.515  11.319 -11.028
  860    H    ALA1024           H        ALA1024   4.158  11.566  -6.658
  861    HA   ALA1024           HA       ALA1024   5.350   8.970  -6.216
  862   1HB   ALA1024          HB1       ALA1024   6.222  10.995  -5.100
  863   2HB   ALA1024          HB2       ALA1024   4.704  11.134  -4.213
  864   3HB   ALA1024          HB3       ALA1024   5.750   9.739  -3.954
  865    H    ALA1025           H        ALA1025   2.369  10.655  -5.460
  866    HA   ALA1025           HA       ALA1025   1.200   8.692  -3.809
  867   1HB   ALA1025          HB1       ALA1025   0.368  10.997  -3.968
  868   2HB   ALA1025          HB2       ALA1025  -0.173  10.681  -5.616
  869   3HB   ALA1025          HB3       ALA1025  -0.906   9.816  -4.265
  870    H    HIS1026           H        HIS1026   1.396   9.075  -7.288
  871    HA   HIS1026           HA       HIS1026  -0.452   6.992  -7.874
  872   1HB   HIS1026          HB1       HIS1026   0.067   8.686  -9.567
  873   2HB   HIS1026          HB2       HIS1026   1.752   8.176  -9.586
  874    HD1  HIS1026           HD1      HIS1026  -1.647   7.212 -10.812
  875    HD2  HIS1026           HD2      HIS1026   2.268   5.819 -11.039
  876    HE1  HIS1026           HE1      HIS1026  -1.663   5.418 -12.576
  877    HE2  HIS1026           HE2      HIS1026   0.674   4.472 -12.575
  878    H    ALA1027           H        ALA1027   3.081   7.161  -7.715
  879    HA   ALA1027           HA       ALA1027   3.577   4.460  -8.305
  880   1HB   ALA1027          HB1       ALA1027   5.318   6.168  -8.346
  881   2HB   ALA1027          HB2       ALA1027   5.187   6.357  -6.597
  882   3HB   ALA1027          HB3       ALA1027   5.765   4.837  -7.279
  883    H    LEU1028           H        LEU1028   2.946   6.153  -5.297
  884    HA   LEU1028           HA       LEU1028   3.128   4.049  -3.477
  885   1HB   LEU1028          HB1       LEU1028   2.868   6.297  -2.720
  886   2HB   LEU1028          HB2       LEU1028   1.367   6.489  -3.596
  887    HG   LEU1028           HG       LEU1028   1.250   4.339  -1.611
  888   1HD1  LEU1028          1HD1      LEU1028   1.654   7.193  -0.714
  889   2HD1  LEU1028          2HD1      LEU1028   1.164   5.846   0.313
  890   3HD1  LEU1028          3HD1      LEU1028   2.765   5.852  -0.426
  891   1HD2  LEU1028          1HD2      LEU1028  -0.850   5.436  -1.077
  892   2HD2  LEU1028          2HD2      LEU1028  -0.405   6.818  -2.080
  893   3HD2  LEU1028          3HD2      LEU1028  -0.685   5.243  -2.823
  894    H    ALA1029           H        ALA1029   0.259   5.259  -5.165
  895    HA   ALA1029           HA       ALA1029  -1.482   3.254  -4.431
  896   1HB   ALA1029          HB1       ALA1029  -1.406   4.612  -7.125
  897   2HB   ALA1029          HB2       ALA1029  -2.788   3.774  -6.420
  898   3HB   ALA1029          HB3       ALA1029  -2.177   5.250  -5.674
  899    H    VAL1030           H        VAL1030   0.933   3.218  -7.028
  900    HA   VAL1030           HA       VAL1030   0.335   0.668  -8.038
  901    HB   VAL1030           HB       VAL1030   2.990   2.116  -7.983
  902   1HG1  VAL1030          1HG1      VAL1030   3.333  -0.259  -8.361
  903   2HG1  VAL1030          2HG1      VAL1030   2.106  -0.255  -9.628
  904   3HG1  VAL1030          3HG1      VAL1030   3.610   0.640  -9.853
  905   1HG2  VAL1030          1HG2      VAL1030   2.426   2.713 -10.300
  906   2HG2  VAL1030          2HG2      VAL1030   0.853   1.940 -10.105
  907   3HG2  VAL1030          3HG2      VAL1030   1.261   3.362  -9.146
  908    H    ASP1031           H        ASP1031   2.216   1.639  -5.200
  909    HA   ASP1031           HA       ASP1031   3.402  -0.970  -4.929
  910   1HB   ASP1031          HB1       ASP1031   4.344  -0.285  -2.841
  911   2HB   ASP1031          HB2       ASP1031   4.521   1.042  -3.964
  912    H    ALA1032           H        ALA1032   0.689   0.733  -3.468
  913    HA   ALA1032           HA       ALA1032  -0.365  -1.285  -1.850
  914   1HB   ALA1032          HB1       ALA1032  -2.534  -0.201  -2.272
  915   2HB   ALA1032          HB2       ALA1032  -1.268   0.973  -1.918
  916   3HB   ALA1032          HB3       ALA1032  -1.805   0.730  -3.580
  917    H    LYS1033           H        LYS1033  -0.857  -0.602  -5.274
  918    HA   LYS1033           HA       LYS1033  -2.756  -2.639  -5.728
  919   1HB   LYS1033          HB1       LYS1033  -2.081  -0.483  -7.100
  920   2HB   LYS1033          HB2       LYS1033  -1.043  -1.620  -7.947
  921   1HG   LYS1033          HG1       LYS1033  -3.093  -1.431  -9.151
  922   2HG   LYS1033          HG2       LYS1033  -3.048  -3.024  -8.390
  923   1HD   LYS1033          HD1       LYS1033  -4.466  -2.191  -6.575
  924   2HD   LYS1033          HD2       LYS1033  -4.508  -0.600  -7.337
  925   1HE   LYS1033          HE1       LYS1033  -5.591  -3.174  -8.478
  926   2HE   LYS1033          HE2       LYS1033  -6.540  -1.835  -7.835
  927   1HZ   LYS1033          HZ1       LYS1033  -5.514  -0.432  -9.610
  928   2HZ   LYS1033          HZ2       LYS1033  -4.860  -1.846 -10.278
  929   3HZ   LYS1033          HZ3       LYS1033  -6.540  -1.657 -10.182
  930    H    ASN1034           H        ASN1034   0.776  -2.588  -6.042
  931    HA   ASN1034           HA       ASN1034   0.824  -5.027  -7.549
  932   1HB   ASN1034          HB1       ASN1034   2.606  -3.184  -7.590
  933   2HB   ASN1034          HB2       ASN1034   3.200  -3.895  -6.090
  934   1HD2  ASN1034          2HD2      ASN1034   5.160  -4.533  -7.017
  935   2HD2  ASN1034          1HD2      ASN1034   5.267  -5.830  -8.147
  936    H    LEU1035           H        LEU1035   1.117  -4.217  -4.132
  937    HA   LEU1035           HA       LEU1035   1.949  -6.936  -3.424
  938   1HB   LEU1035          HB1       LEU1035   2.598  -4.959  -1.994
  939   2HB   LEU1035          HB2       LEU1035   0.896  -4.731  -1.599
  940    HG   LEU1035           HG       LEU1035   1.107  -7.268  -0.833
  941   1HD1  LEU1035          1HD1      LEU1035   3.406  -7.546  -1.542
  942   2HD1  LEU1035          2HD1      LEU1035   3.907  -6.205  -0.510
  943   3HD1  LEU1035          3HD1      LEU1035   3.279  -7.687   0.210
  944   1HD2  LEU1035          1HD2      LEU1035   1.538  -6.490   1.432
  945   2HD2  LEU1035          2HD2      LEU1035   2.093  -4.939   0.797
  946   3HD2  LEU1035          3HD2      LEU1035   0.412  -5.429   0.587
  947    H    LEU1036           H        LEU1036  -0.968  -5.011  -3.661
  948    HA   LEU1036           HA       LEU1036  -2.927  -6.575  -2.579
  949   1HB   LEU1036          HB1       LEU1036  -3.391  -4.444  -3.610
  950   2HB   LEU1036          HB2       LEU1036  -2.867  -5.024  -5.172
  951    HG   LEU1036           HG       LEU1036  -5.260  -6.268  -3.854
  952   1HD1  LEU1036          1HD1      LEU1036  -5.206  -3.700  -5.437
  953   2HD1  LEU1036          2HD1      LEU1036  -6.660  -4.596  -4.996
  954   3HD1  LEU1036          3HD1      LEU1036  -5.653  -3.875  -3.741
  955   1HD2  LEU1036          1HD2      LEU1036  -5.940  -6.589  -6.189
  956   2HD2  LEU1036          2HD2      LEU1036  -4.483  -5.758  -6.731
  957   3HD2  LEU1036          3HD2      LEU1036  -4.354  -7.300  -5.885
  958    H    ASP1037           H        ASP1037  -1.302  -6.904  -5.603
  959    HA   ASP1037           HA       ASP1037  -2.567  -9.365  -6.360
  960   1HB   ASP1037          HB1       ASP1037  -0.101  -7.963  -7.413
  961   2HB   ASP1037          HB2       ASP1037  -0.700  -9.485  -8.063
  962    H    VAL1038           H        VAL1038   0.548  -8.381  -5.036
  963    HA   VAL1038           HA       VAL1038   1.937 -10.730  -4.886
  964    HB   VAL1038           HB       VAL1038   1.812  -8.389  -3.016
  965   1HG1  VAL1038          1HG1      VAL1038   2.412 -10.321  -1.651
  966   2HG1  VAL1038          2HG1      VAL1038   3.701 -10.723  -2.787
  967   3HG1  VAL1038          3HG1      VAL1038   3.782  -9.227  -1.857
  968   1HG2  VAL1038          1HG2      VAL1038   3.895  -9.374  -4.950
  969   2HG2  VAL1038          2HG2      VAL1038   2.801  -8.011  -5.191
  970   3HG2  VAL1038          3HG2      VAL1038   4.036  -7.941  -3.934
  971    H    ILE1039           H        ILE1039  -0.121  -9.459  -2.313
  972    HA   ILE1039           HA       ILE1039   0.206 -11.889  -0.804
  973    HB   ILE1039           HB       ILE1039  -1.341 -10.665   0.876
  974   1HG1  ILE1039          1HG1      ILE1039  -1.188  -8.203   0.755
  975   2HG1  ILE1039          2HG1      ILE1039  -0.450  -8.330  -0.834
  976   1HG2  ILE1039          1HG2      ILE1039   1.420  -9.663   0.214
  977   2HG2  ILE1039          2HG2      ILE1039   0.600  -9.466   1.763
  978   3HG2  ILE1039          3HG2      ILE1039   1.024 -11.078   1.187
  979   1HD1  ILE1039          1HD1      ILE1039  -2.779  -7.705  -0.980
  980   2HD1  ILE1039          2HD1      ILE1039  -2.503  -9.289  -1.710
  981   3HD1  ILE1039          3HD1      ILE1039  -3.238  -9.169  -0.111
  982    H    ASP1040           H        ASP1040  -2.499 -10.353  -2.539
  983    HA   ASP1040           HA       ASP1040  -4.405 -12.314  -2.018
  984   1HB   ASP1040          HB1       ASP1040  -5.091 -10.521  -3.430
  985   2HB   ASP1040          HB2       ASP1040  -3.787 -10.822  -4.572
  986    H    GLN1041           H        GLN1041  -1.720 -12.266  -4.258
  987    HA   GLN1041           HA       GLN1041  -2.034 -15.002  -5.028
  988   1HB   GLN1041          HB1       GLN1041   0.250 -13.077  -5.383
  989   2HB   GLN1041          HB2       GLN1041   0.314 -14.752  -5.912
  990   1HG   GLN1041          HG1       GLN1041  -1.544 -14.394  -7.411
  991   2HG   GLN1041          HG2       GLN1041  -1.728 -12.740  -6.828
  992   1HE2  GLN1041          2HE2      GLN1041   0.151 -14.901  -8.785
  993   2HE2  GLN1041          1HE2      GLN1041   1.092 -13.684  -9.577
  994    H    ALA1042           H        ALA1042  -0.323 -13.353  -2.404
  995    HA   ALA1042           HA       ALA1042   1.282 -15.372  -1.504
  996   1HB   ALA1042          HB1       ALA1042   1.080 -13.195  -0.393
  997   2HB   ALA1042          HB2       ALA1042  -0.498 -13.674   0.230
  998   3HB   ALA1042          HB3       ALA1042   0.952 -14.534   0.747
  999    H    ARG1043           H        ARG1043  -2.101 -14.902  -0.526
 1000    HA   ARG1043           HA       ARG1043  -2.472 -17.412   0.633
 1001   1HB   ARG1043          HB1       ARG1043  -4.095 -15.200  -0.002
 1002   2HB   ARG1043          HB2       ARG1043  -4.878 -16.602  -0.721
 1003   1HG   ARG1043          HG1       ARG1043  -5.698 -16.173   1.534
 1004   2HG   ARG1043          HG2       ARG1043  -4.876 -17.732   1.432
 1005   1HD   ARG1043          HD1       ARG1043  -2.915 -16.840   2.484
 1006   2HD   ARG1043          HD2       ARG1043  -3.554 -15.198   2.392
 1007    HE   ARG1043           HE       ARG1043  -5.419 -16.495   3.870
 1008   1HH1  ARG1043          2HH1      ARG1043  -1.923 -16.303   4.190
 1009   2HH1  ARG1043          1HH1      ARG1043  -1.964 -16.352   5.926
 1010   1HH2  ARG1043          2HH2      ARG1043  -5.459 -16.561   6.127
 1011   2HH2  ARG1043          1HH2      ARG1043  -3.967 -16.510   7.022
 1012    H    LEU1044           H        LEU1044  -2.429 -16.476  -2.727
 1013    HA   LEU1044           HA       LEU1044  -3.365 -18.991  -3.747
 1014   1HB   LEU1044          HB1       LEU1044  -3.338 -16.709  -4.931
 1015   2HB   LEU1044          HB2       LEU1044  -1.643 -17.012  -5.231
 1016    HG   LEU1044           HG       LEU1044  -3.801 -18.900  -6.171
 1017   1HD1  LEU1044          1HD1      LEU1044  -2.568 -16.583  -7.650
 1018   2HD1  LEU1044          2HD1      LEU1044  -3.631 -17.804  -8.350
 1019   3HD1  LEU1044          3HD1      LEU1044  -4.244 -16.702  -7.115
 1020   1HD2  LEU1044          1HD2      LEU1044  -1.509 -19.784  -6.105
 1021   2HD2  LEU1044          2HD2      LEU1044  -2.107 -19.624  -7.756
 1022   3HD2  LEU1044          3HD2      LEU1044  -0.970 -18.441  -7.112
 1023    H    LYS1045           H        LYS1045  -0.234 -17.606  -2.918
 1024    HA   LYS1045           HA       LYS1045   1.462 -19.592  -3.959
 1025   1HB   LYS1045          HB1       LYS1045   1.836 -18.044  -1.373
 1026   2HB   LYS1045          HB2       LYS1045   3.095 -18.847  -2.290
 1027   1HG   LYS1045          HG1       LYS1045   1.529 -16.431  -3.123
 1028   2HG   LYS1045          HG2       LYS1045   3.210 -16.480  -2.594
 1029   1HD   LYS1045          HD1       LYS1045   3.834 -17.749  -4.553
 1030   2HD   LYS1045          HD2       LYS1045   2.143 -17.876  -5.050
 1031   1HE   LYS1045          HE1       LYS1045   2.047 -15.429  -5.276
 1032   2HE   LYS1045          HE2       LYS1045   3.748 -15.328  -4.822
 1033   1HZ   LYS1045          HZ1       LYS1045   2.709 -16.764  -7.209
 1034   2HZ   LYS1045          HZ2       LYS1045   3.399 -15.213  -7.226
 1035   3HZ   LYS1045          HZ3       LYS1045   4.339 -16.553  -6.793
 1036    H    MET1046           H        MET1046  -0.569 -19.386  -1.193
 1037    HA   MET1046           HA       MET1046   0.484 -21.728   0.114
 1038   1HB   MET1046          HB1       MET1046  -0.643 -19.795   1.273
 1039   2HB   MET1046          HB2       MET1046  -2.155 -20.345   0.578
 1040   1HG   MET1046          HG1       MET1046  -2.035 -22.403   1.807
 1041   2HG   MET1046          HG2       MET1046  -0.419 -22.001   2.391
 1042   1HE   MET1046          HE1       MET1046  -2.453 -21.693   5.690
 1043   2HE   MET1046          HE2       MET1046  -2.603 -22.909   4.421
 1044   3HE   MET1046          HE3       MET1046  -1.007 -22.348   4.921
 1045    H    ILE1047           H        ILE1047  -2.104 -20.939  -2.112
 1046    HA   ILE1047           HA       ILE1047  -3.261 -23.511  -2.337
 1047    HB   ILE1047           HB       ILE1047  -2.945 -21.412  -4.498
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.116 -20.539  -2.518
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.199 -20.679  -3.900
 1050   1HG2  ILE1047          1HG2      ILE1047  -4.857 -23.735  -4.296
 1051   2HG2  ILE1047          2HG2      ILE1047  -4.841 -22.514  -5.570
 1052   3HG2  ILE1047          3HG2      ILE1047  -3.475 -23.614  -5.386
 1053   1HD1  ILE1047          1HD1      ILE1047  -6.285 -21.386  -1.853
 1054   2HD1  ILE1047          2HD1      ILE1047  -6.112 -22.742  -2.967
 1055   3HD1  ILE1047          3HD1      ILE1047  -5.028 -22.593  -1.584
 1056    H    SER1048           H        SER1048  -0.657 -21.856  -4.062
 1057    HA   SER1048           HA       SER1048   0.170 -23.843  -5.807
 1058   1HB   SER1048          HB1       SER1048   1.842 -21.762  -4.359
 1059   2HB   SER1048          HB2       SER1048   2.353 -22.654  -5.794
 1060    HG   SER1048           HG       SER1048   0.059 -21.652  -6.454
 1061    H    GLN1049           H        GLN1049   1.002 -23.332  -2.423
 1062    HA   GLN1049           HA       GLN1049   2.933 -25.332  -2.126
 1063   1HB   GLN1049          HB1       GLN1049   2.398 -23.615  -0.426
 1064   2HB   GLN1049          HB2       GLN1049   0.863 -24.414  -0.118
 1065   1HG   GLN1049          HG1       GLN1049   2.200 -26.461   0.512
 1066   2HG   GLN1049          HG2       GLN1049   3.630 -25.428   0.467
 1067   1HE2  GLN1049          2HE2      GLN1049   4.064 -25.591   2.633
 1068   2HE2  GLN1049          1HE2      GLN1049   3.070 -24.863   3.851
 1069    H    SER1050           H        SER1050  -0.405 -25.617  -0.912
 1070    HA   SER1050           HA       SER1050  -0.753 -28.162  -2.258
 1071   1HB   SER1050          HB1       SER1050  -0.908 -28.018   0.763
 1072   2HB   SER1050          HB2       SER1050  -1.192 -29.440  -0.238
 1073    HG   SER1050           HG       SER1050   1.190 -28.567  -0.899
 1074    H    ARG1051           H        ARG1051  -1.918 -25.287  -1.333
 1075    HA   ARG1051           HA       ARG1051  -3.859 -24.267  -0.892
 1076   1HB   ARG1051          HB1       ARG1051  -5.675 -24.789  -2.179
 1077   2HB   ARG1051          HB2       ARG1051  -4.424 -25.669  -3.035
 1078   1HG   ARG1051          HG1       ARG1051  -5.153 -27.712  -1.745
 1079   2HG   ARG1051          HG2       ARG1051  -6.542 -26.763  -1.209
 1080   1HD   ARG1051          HD1       ARG1051  -7.074 -28.124  -3.177
 1081   2HD   ARG1051          HD2       ARG1051  -7.208 -26.399  -3.518
 1082    HE   ARG1051           HE       ARG1051  -4.677 -26.978  -4.271
 1083   1HH1  ARG1051          2HH1      ARG1051  -7.802 -28.323  -5.095
 1084   2HH1  ARG1051          1HH1      ARG1051  -7.274 -28.901  -6.647
 1085   1HH2  ARG1051          2HH2      ARG1051  -3.996 -27.702  -6.316
 1086   2HH2  ARG1051          1HH2      ARG1051  -5.115 -28.573  -7.331
 1087    HA   PRO1052           HA       PRO1052  -4.596 -25.715   3.159
 1088   1HB   PRO1052          HB1       PRO1052  -6.490 -23.503   3.437
 1089   2HB   PRO1052          HB2       PRO1052  -4.933 -23.749   4.229
 1090   1HG   PRO1052          HG1       PRO1052  -5.327 -21.845   2.353
 1091   2HG   PRO1052          HG2       PRO1052  -3.769 -22.662   2.577
 1092   1HD   PRO1052          HD1       PRO1052  -5.883 -23.133   0.514
 1093   2HD   PRO1052          HD2       PRO1052  -4.116 -23.128   0.336
 1094    H    HIS1053           H        HIS1053  -6.085 -26.853   4.317
 1095    HA   HIS1053           HA       HIS1053  -8.824 -26.982   3.232
 1096   1HB   HIS1053          HB1       HIS1053  -7.208 -29.218   4.487
 1097   2HB   HIS1053          HB2       HIS1053  -8.924 -29.321   4.113
 1098    HD1  HIS1053           HD1      HIS1053  -9.539 -29.167   1.496
 1099    HD2  HIS1053           HD2      HIS1053  -5.536 -29.824   2.420
 1100    HE1  HIS1053           HE1      HIS1053  -8.485 -30.039  -0.615
 1101    HE2  HIS1053           HE2      HIS1053  -6.033 -30.275  -0.080
  Start of MODEL   20
    1   1H    ARG 920           H        ARG 920  -7.345 -20.180  -2.401
    2    HA   ARG 920           HA       ARG 920  -8.334 -19.552   0.290
    3   1HB   ARG 920          HB1       ARG 920  -5.915 -19.265  -0.570
    4   2HB   ARG 920          HB2       ARG 920  -6.537 -17.828  -1.376
    5   1HG   ARG 920          HG1       ARG 920  -5.736 -16.999   0.601
    6   2HG   ARG 920          HG2       ARG 920  -7.459 -17.199   0.941
    7   1HD   ARG 920          HD1       ARG 920  -5.168 -18.956   1.815
    8   2HD   ARG 920          HD2       ARG 920  -6.253 -18.016   2.832
    9    HE   ARG 920           HE       ARG 920  -7.011 -20.461   1.363
   10   1HH1  ARG 920          2HH1      ARG 920  -7.570 -18.177   3.981
   11   2HH1  ARG 920          1HH1      ARG 920  -8.604 -19.274   4.855
   12   1HH2  ARG 920          2HH2      ARG 920  -8.386 -21.869   2.519
   13   2HH2  ARG 920          1HH2      ARG 920  -9.075 -21.338   4.030
   14    H    SER 921           H        SER 921  -9.409 -17.559   0.737
   15    HA   SER 921           HA       SER 921 -11.052 -16.620  -1.499
   16   1HB   SER 921          HB1       SER 921 -12.120 -17.419   0.625
   17   2HB   SER 921          HB2       SER 921 -11.353 -16.073   1.462
   18    HG   SER 921           HG       SER 921 -12.568 -14.641   0.255
   19    H    ASN 922           H        ASN 922  -8.236 -15.901  -1.069
   20    HA   ASN 922           HA       ASN 922  -6.786 -14.150  -0.864
   21   1HB   ASN 922          HB1       ASN 922  -8.732 -12.145  -1.795
   22   2HB   ASN 922          HB2       ASN 922  -7.157 -12.572  -2.450
   23   1HD2  ASN 922          2HD2      ASN 922  -7.034 -14.610  -3.659
   24   2HD2  ASN 922          1HD2      ASN 922  -8.392 -15.093  -4.612
   25    H    ASP 923           H        ASP 923  -7.294 -14.649   1.260
   26    HA   ASP 923           HA       ASP 923  -8.828 -13.550   3.139
   27   1HB   ASP 923          HB1       ASP 923  -5.966 -14.470   3.182
   28   2HB   ASP 923          HB2       ASP 923  -6.834 -14.073   4.661
   29    H    LYS 924           H        LYS 924  -7.496 -12.351   5.091
   30    HA   LYS 924           HA       LYS 924  -7.835  -9.688   4.894
   31   1HB   LYS 924          HB1       LYS 924  -6.784 -11.350   6.790
   32   2HB   LYS 924          HB2       LYS 924  -5.407 -10.328   6.420
   33   1HG   LYS 924          HG1       LYS 924  -8.112  -9.415   7.388
   34   2HG   LYS 924          HG2       LYS 924  -6.604  -9.429   8.301
   35   1HD   LYS 924          HD1       LYS 924  -5.679  -7.861   6.559
   36   2HD   LYS 924          HD2       LYS 924  -7.320  -7.717   5.931
   37   1HE   LYS 924          HE1       LYS 924  -6.413  -7.025   8.720
   38   2HE   LYS 924          HE2       LYS 924  -6.770  -5.876   7.433
   39   1HZ   LYS 924          HZ1       LYS 924  -9.075  -6.871   7.419
   40   2HZ   LYS 924          HZ2       LYS 924  -8.663  -7.650   8.865
   41   3HZ   LYS 924          HZ3       LYS 924  -8.676  -5.960   8.793
   42    H    VAL 925           H        VAL 925  -5.328 -11.360   3.293
   43    HA   VAL 925           HA       VAL 925  -3.415  -9.312   3.002
   44    HB   VAL 925           HB       VAL 925  -2.670 -10.626   0.994
   45   1HG1  VAL 925          1HG1      VAL 925  -3.060 -12.178   3.558
   46   2HG1  VAL 925          2HG1      VAL 925  -1.881 -12.543   2.300
   47   3HG1  VAL 925          3HG1      VAL 925  -1.751 -11.047   3.224
   48   1HG2  VAL 925          1HG2      VAL 925  -3.686 -12.855   0.679
   49   2HG2  VAL 925          2HG2      VAL 925  -4.951 -12.414   1.826
   50   3HG2  VAL 925          3HG2      VAL 925  -4.796 -11.537   0.304
   51    H    TYR 926           H        TYR 926  -6.114 -10.391   0.828
   52    HA   TYR 926           HA       TYR 926  -5.394  -8.354  -1.124
   53   1HB   TYR 926          HB1       TYR 926  -6.342 -10.395  -1.953
   54   2HB   TYR 926          HB2       TYR 926  -7.704 -10.308  -0.845
   55    HD1  TYR 926           HD1      TYR 926  -6.170  -8.317  -3.618
   56    HD2  TYR 926           HD2      TYR 926  -9.715  -9.627  -1.673
   57    HE1  TYR 926           HE1      TYR 926  -7.521  -7.225  -5.361
   58    HE2  TYR 926           HE2      TYR 926 -11.080  -8.538  -3.406
   59    HH   TYR 926           HH       TYR 926 -10.895  -6.767  -5.055
   60    H    GLU 927           H        GLU 927  -7.322  -8.699   1.663
   61    HA   GLU 927           HA       GLU 927  -9.193  -6.613   1.192
   62   1HB   GLU 927          HB1       GLU 927  -8.320  -8.123   3.638
   63   2HB   GLU 927          HB2       GLU 927  -9.545  -6.875   3.700
   64   1HG   GLU 927          HG1       GLU 927 -10.816  -8.195   1.979
   65   2HG   GLU 927          HG2       GLU 927  -9.647  -9.491   2.238
   66    H    ASN 928           H        ASN 928  -6.454  -6.817   3.489
   67    HA   ASN 928           HA       ASN 928  -6.743  -4.122   4.309
   68   1HB   ASN 928          HB1       ASN 928  -5.563  -6.127   5.483
   69   2HB   ASN 928          HB2       ASN 928  -4.156  -5.615   4.559
   70   1HD2  ASN 928          2HD2      ASN 928  -4.787  -2.780   4.693
   71   2HD2  ASN 928          1HD2      ASN 928  -4.474  -2.297   6.324
   72    H    VAL 929           H        VAL 929  -4.862  -5.669   1.823
   73    HA   VAL 929           HA       VAL 929  -3.152  -3.493   1.268
   74    HB   VAL 929           HB       VAL 929  -2.746  -5.801   0.452
   75   1HG1  VAL 929          1HG1      VAL 929  -3.839  -6.567  -1.572
   76   2HG1  VAL 929          2HG1      VAL 929  -5.005  -6.333  -0.271
   77   3HG1  VAL 929          3HG1      VAL 929  -4.875  -5.143  -1.567
   78   1HG2  VAL 929          1HG2      VAL 929  -1.515  -3.923  -0.459
   79   2HG2  VAL 929          2HG2      VAL 929  -1.835  -5.113  -1.721
   80   3HG2  VAL 929          3HG2      VAL 929  -2.790  -3.632  -1.639
   81    H    THR 930           H        THR 930  -6.303  -4.412  -0.173
   82    HA   THR 930           HA       THR 930  -6.437  -2.046  -1.750
   83    HB   THR 930           HB       THR 930  -8.931  -2.558  -1.832
   84    HG1  THR 930           HG1      THR 930  -8.256  -5.083  -0.756
   85   1HG2  THR 930          1HG2      THR 930  -7.346  -3.285  -3.567
   86   2HG2  THR 930          2HG2      THR 930  -7.033  -4.760  -2.650
   87   3HG2  THR 930          3HG2      THR 930  -8.636  -4.462  -3.321
   88    H    GLY 931           H        GLY 931  -7.201  -2.896   1.510
   89   1HA   GLY 931          HA1       GLY 931  -8.563  -0.621   2.377
   90   2HA   GLY 931          HA2       GLY 931  -7.450  -1.558   3.363
   91    H    LEU 932           H        LEU 932  -5.158  -1.028   1.563
   92    HA   LEU 932           HA       LEU 932  -4.260   1.471   2.554
   93   1HB   LEU 932          HB1       LEU 932  -2.877  -0.535   1.667
   94   2HB   LEU 932          HB2       LEU 932  -3.188   0.124   0.074
   95    HG   LEU 932           HG       LEU 932  -1.749   1.612   2.280
   96   1HD1  LEU 932          1HD1      LEU 932  -0.465  -0.325   1.570
   97   2HD1  LEU 932          2HD1      LEU 932  -0.630   0.169  -0.115
   98   3HD1  LEU 932          3HD1      LEU 932   0.286   1.169   1.013
   99   1HD2  LEU 932          1HD2      LEU 932  -2.825   3.075   0.634
  100   2HD2  LEU 932          2HD2      LEU 932  -1.066   3.141   0.513
  101   3HD2  LEU 932          3HD2      LEU 932  -2.000   2.216  -0.665
  102    H    VAL 933           H        VAL 933  -5.479   0.398  -0.607
  103    HA   VAL 933           HA       VAL 933  -5.514   2.890  -1.889
  104    HB   VAL 933           HB       VAL 933  -7.527   0.662  -2.265
  105   1HG1  VAL 933          1HG1      VAL 933  -6.647   2.886  -4.103
  106   2HG1  VAL 933          2HG1      VAL 933  -7.718   1.558  -4.553
  107   3HG1  VAL 933          3HG1      VAL 933  -8.223   2.724  -3.329
  108   1HG2  VAL 933          1HG2      VAL 933  -6.023  -0.107  -4.069
  109   2HG2  VAL 933          2HG2      VAL 933  -4.831   1.084  -3.549
  110   3HG2  VAL 933          3HG2      VAL 933  -5.295  -0.232  -2.469
  111    H    LYS 934           H        LYS 934  -7.947   1.357   0.170
  112    HA   LYS 934           HA       LYS 934  -9.895   3.384  -0.010
  113   1HB   LYS 934          HB1       LYS 934  -9.372   1.133   1.873
  114   2HB   LYS 934          HB2       LYS 934 -10.478   2.393   2.391
  115   1HG   LYS 934          HG1       LYS 934 -11.780   0.647   1.456
  116   2HG   LYS 934          HG2       LYS 934 -11.798   1.981   0.308
  117   1HD   LYS 934          HD1       LYS 934  -9.730  -0.119  -0.040
  118   2HD   LYS 934          HD2       LYS 934 -11.397  -0.530  -0.442
  119   1HE   LYS 934          HE1       LYS 934  -9.999   1.908  -1.504
  120   2HE   LYS 934          HE2       LYS 934  -9.984   0.356  -2.339
  121   1HZ   LYS 934          HZ1       LYS 934 -12.412   0.439  -2.418
  122   2HZ   LYS 934          HZ2       LYS 934 -12.399   1.958  -1.665
  123   3HZ   LYS 934          HZ3       LYS 934 -11.723   1.773  -3.206
  124    H    ALA 935           H        ALA 935  -6.989   3.085   1.877
  125    HA   ALA 935           HA       ALA 935  -7.679   5.226   3.680
  126   1HB   ALA 935          HB1       ALA 935  -5.420   4.971   4.543
  127   2HB   ALA 935          HB2       ALA 935  -6.238   3.412   4.425
  128   3HB   ALA 935          HB3       ALA 935  -5.032   3.870   3.221
  129    H    VAL 936           H        VAL 936  -5.980   4.918   0.620
  130    HA   VAL 936           HA       VAL 936  -5.134   7.670   0.767
  131    HB   VAL 936           HB       VAL 936  -3.733   6.096  -0.469
  132   1HG1  VAL 936          1HG1      VAL 936  -5.462   4.644  -1.387
  133   2HG1  VAL 936          2HG1      VAL 936  -6.007   5.945  -2.444
  134   3HG1  VAL 936          3HG1      VAL 936  -4.402   5.250  -2.661
  135   1HG2  VAL 936          1HG2      VAL 936  -3.568   8.425  -1.037
  136   2HG2  VAL 936          2HG2      VAL 936  -3.398   7.457  -2.501
  137   3HG2  VAL 936          3HG2      VAL 936  -4.918   8.286  -2.165
  138    H    ILE 937           H        ILE 937  -7.958   5.974  -0.063
  139    HA   ILE 937           HA       ILE 937  -9.275   8.044  -1.479
  140    HB   ILE 937           HB       ILE 937 -10.457   6.048   0.470
  141   1HG1  ILE 937          1HG1      ILE 937  -9.373   4.919  -1.389
  142   2HG1  ILE 937          2HG1      ILE 937 -11.119   4.796  -1.557
  143   1HG2  ILE 937          1HG2      ILE 937 -11.942   7.939   0.151
  144   2HG2  ILE 937          2HG2      ILE 937 -11.818   7.768  -1.599
  145   3HG2  ILE 937          3HG2      ILE 937 -12.595   6.506  -0.644
  146   1HD1  ILE 937          1HD1      ILE 937 -11.077   6.597  -3.213
  147   2HD1  ILE 937          2HD1      ILE 937  -9.322   6.683  -3.058
  148   3HD1  ILE 937          3HD1      ILE 937 -10.079   5.224  -3.694
  149    H    GLU 938           H        GLU 938  -8.608   7.372   1.883
  150    HA   GLU 938           HA       GLU 938 -10.002   9.503   3.074
  151   1HB   GLU 938          HB1       GLU 938  -7.376   8.286   3.987
  152   2HB   GLU 938          HB2       GLU 938  -8.471   9.253   4.970
  153   1HG   GLU 938          HG1       GLU 938 -10.240   7.507   4.532
  154   2HG   GLU 938          HG2       GLU 938  -8.961   6.509   3.844
  155    H    MET 939           H        MET 939  -6.601   9.300   2.027
  156    HA   MET 939           HA       MET 939  -5.863  11.906   2.429
  157   1HB   MET 939          HB1       MET 939  -4.373  10.078   1.591
  158   2HB   MET 939          HB2       MET 939  -5.084  10.292  -0.005
  159   1HG   MET 939          HG1       MET 939  -4.355  12.715   0.163
  160   2HG   MET 939          HG2       MET 939  -3.391  12.215   1.550
  161   1HE   MET 939          HE1       MET 939  -3.844  12.174  -2.289
  162   2HE   MET 939          HE2       MET 939  -2.738  10.903  -2.815
  163   3HE   MET 939          HE3       MET 939  -4.201  10.486  -1.922
  164    H    SER 940           H        SER 940  -7.648  10.603  -0.347
  165    HA   SER 940           HA       SER 940  -7.707  12.958  -1.873
  166   1HB   SER 940          HB1       SER 940  -8.406  10.656  -2.643
  167   2HB   SER 940          HB2       SER 940  -9.902  10.883  -1.739
  168    HG   SER 940           HG       SER 940  -9.169  11.864  -4.176
  169    H    SER 941           H        SER 941  -9.684  11.871   0.829
  170    HA   SER 941           HA       SER 941 -11.685  13.922   0.432
  171   1HB   SER 941          HB1       SER 941 -11.254  12.136   2.844
  172   2HB   SER 941          HB2       SER 941 -12.731  12.993   2.405
  173    HG   SER 941           HG       SER 941 -11.510  10.885   0.930
  174    H    LYS 942           H        LYS 942  -8.973  13.184   2.441
  175    HA   LYS 942           HA       LYS 942  -9.220  15.296   4.282
  176   1HB   LYS 942          HB1       LYS 942  -7.573  13.029   3.860
  177   2HB   LYS 942          HB2       LYS 942  -6.507  14.420   4.007
  178   1HG   LYS 942          HG1       LYS 942  -8.664  13.743   5.994
  179   2HG   LYS 942          HG2       LYS 942  -6.977  13.240   6.146
  180   1HD   LYS 942          HD1       LYS 942  -6.241  15.514   6.213
  181   2HD   LYS 942          HD2       LYS 942  -7.867  16.092   5.841
  182   1HE   LYS 942          HE1       LYS 942  -7.265  16.332   8.237
  183   2HE   LYS 942          HE2       LYS 942  -8.686  15.324   7.973
  184   1HZ   LYS 942          HZ1       LYS 942  -7.402  13.370   8.346
  185   2HZ   LYS 942          HZ2       LYS 942  -5.954  14.248   8.403
  186   3HZ   LYS 942          HZ3       LYS 942  -7.102  14.430   9.630
  187    H    ILE 943           H        ILE 943  -7.537  14.978   1.184
  188    HA   ILE 943           HA       ILE 943  -6.105  17.435   1.446
  189    HB   ILE 943           HB       ILE 943  -5.487  15.489  -0.081
  190   1HG1  ILE 943          1HG1      ILE 943  -4.584  17.930  -0.165
  191   2HG1  ILE 943          2HG1      ILE 943  -4.226  16.835  -1.491
  192   1HG2  ILE 943          1HG2      ILE 943  -7.615  15.112  -1.142
  193   2HG2  ILE 943          2HG2      ILE 943  -7.588  16.729  -1.846
  194   3HG2  ILE 943          3HG2      ILE 943  -6.407  15.523  -2.359
  195   1HD1  ILE 943          1HD1      ILE 943  -6.370  18.949  -1.483
  196   2HD1  ILE 943          2HD1      ILE 943  -4.802  19.061  -2.283
  197   3HD1  ILE 943          3HD1      ILE 943  -5.985  17.868  -2.823
  198    H    GLN 944           H        GLN 944  -9.274  16.531   0.330
  199    HA   GLN 944           HA       GLN 944  -9.988  18.639  -1.274
  200   1HB   GLN 944          HB1       GLN 944 -11.611  17.090   0.733
  201   2HB   GLN 944          HB2       GLN 944 -12.330  18.300  -0.323
  202   1HG   GLN 944          HG1       GLN 944 -11.707  17.055  -2.267
  203   2HG   GLN 944          HG2       GLN 944 -10.780  15.916  -1.295
  204   1HE2  GLN 944          2HE2      GLN 944 -11.936  14.151  -1.981
  205   2HE2  GLN 944          1HE2      GLN 944 -13.569  13.851  -1.490
  206    HA   PRO 945           HA       PRO 945 -10.634  21.600   2.289
  207   1HB   PRO 945          HB1       PRO 945 -11.035  20.842   4.806
  208   2HB   PRO 945          HB2       PRO 945 -12.283  20.599   3.580
  209   1HG   PRO 945          HG1       PRO 945 -10.496  18.623   4.868
  210   2HG   PRO 945          HG2       PRO 945 -12.114  18.398   4.182
  211   1HD   PRO 945          HD1       PRO 945  -9.576  17.853   2.956
  212   2HD   PRO 945          HD2       PRO 945 -11.194  17.638   2.260
  213    H    ALA 946           H        ALA 946  -7.980  19.985   1.936
  214    HA   ALA 946           HA       ALA 946  -6.660  20.534   4.482
  215   1HB   ALA 946          HB1       ALA 946  -5.622  19.067   2.072
  216   2HB   ALA 946          HB2       ALA 946  -4.829  19.187   3.642
  217   3HB   ALA 946          HB3       ALA 946  -6.363  18.329   3.491
  218    HA   PRO 947           HA       PRO 947  -3.939  23.653   2.685
  219   1HB   PRO 947          HB1       PRO 947  -3.012  24.556   5.031
  220   2HB   PRO 947          HB2       PRO 947  -4.613  25.040   4.457
  221   1HG   PRO 947          HG1       PRO 947  -3.870  22.989   6.503
  222   2HG   PRO 947          HG2       PRO 947  -5.201  24.161   6.521
  223   1HD   PRO 947          HD1       PRO 947  -5.447  21.497   5.803
  224   2HD   PRO 947          HD2       PRO 947  -6.575  22.785   5.339
  225    HA   PRO 948           HA       PRO 948  -0.034  21.373   3.080
  226   1HB   PRO 948          HB1       PRO 948   1.072  23.579   4.766
  227   2HB   PRO 948          HB2       PRO 948   1.786  22.768   3.365
  228   1HG   PRO 948          HG1       PRO 948   0.732  25.191   3.102
  229   2HG   PRO 948          HG2       PRO 948   0.483  23.965   1.844
  230   1HD   PRO 948          HD1       PRO 948  -1.407  24.958   3.931
  231   2HD   PRO 948          HD2       PRO 948  -1.731  24.458   2.258
  232    H    GLU 949           H        GLU 949  -1.194  22.955   5.989
  233    HA   GLU 949           HA       GLU 949   0.019  21.442   7.961
  234   1HB   GLU 949          HB1       GLU 949  -2.658  22.802   7.812
  235   2HB   GLU 949          HB2       GLU 949  -2.146  21.950   9.262
  236   1HG   GLU 949          HG1       GLU 949  -1.750  24.375   9.363
  237   2HG   GLU 949          HG2       GLU 949  -0.278  23.426   9.540
  238    H    GLU 950           H        GLU 950  -2.934  20.732   6.105
  239    HA   GLU 950           HA       GLU 950  -3.175  18.197   7.530
  240   1HB   GLU 950          HB1       GLU 950  -5.027  19.501   5.542
  241   2HB   GLU 950          HB2       GLU 950  -5.306  17.935   6.299
  242   1HG   GLU 950          HG1       GLU 950  -5.089  20.582   7.721
  243   2HG   GLU 950          HG2       GLU 950  -6.569  19.673   7.419
  244    H    TYR 951           H        TYR 951  -1.690  19.352   4.767
  245    HA   TYR 951           HA       TYR 951  -1.947  17.186   3.007
  246   1HB   TYR 951          HB1       TYR 951   0.333  19.092   3.520
  247   2HB   TYR 951          HB2       TYR 951   0.460  17.809   2.325
  248    HD1  TYR 951           HD1      TYR 951   0.878  20.486   1.450
  249    HD2  TYR 951           HD2      TYR 951  -2.802  18.411   1.955
  250    HE1  TYR 951           HE1      TYR 951  -0.158  21.928  -0.238
  251    HE2  TYR 951           HE2      TYR 951  -3.852  19.852   0.263
  252    HH   TYR 951           HH       TYR 951  -3.460  22.173  -0.687
  253    H    VAL 952           H        VAL 952   0.070  17.692   5.849
  254    HA   VAL 952           HA       VAL 952   1.356  15.160   5.541
  255    HB   VAL 952           HB       VAL 952   2.805  16.305   6.784
  256   1HG1  VAL 952          1HG1      VAL 952   0.523  17.805   8.054
  257   2HG1  VAL 952          2HG1      VAL 952   2.225  18.067   8.432
  258   3HG1  VAL 952          3HG1      VAL 952   1.625  18.381   6.804
  259   1HG2  VAL 952          1HG2      VAL 952   2.247  14.436   8.244
  260   2HG2  VAL 952          2HG2      VAL 952   2.704  15.854   9.189
  261   3HG2  VAL 952          3HG2      VAL 952   1.005  15.405   9.037
  262    HA   PRO 953           HA       PRO 953  -1.808  13.602   8.991
  263   1HB   PRO 953          HB1       PRO 953  -4.033  15.444   8.289
  264   2HB   PRO 953          HB2       PRO 953  -3.612  14.722   9.850
  265   1HG   PRO 953          HG1       PRO 953  -3.045  17.264   9.376
  266   2HG   PRO 953          HG2       PRO 953  -1.890  16.228  10.237
  267   1HD   PRO 953          HD1       PRO 953  -1.847  17.166   7.398
  268   2HD   PRO 953          HD2       PRO 953  -0.506  16.975   8.543
  269    H    MET 954           H        MET 954  -2.854  14.894   5.832
  270    HA   MET 954           HA       MET 954  -4.808  12.867   5.435
  271   1HB   MET 954          HB1       MET 954  -5.031  13.651   3.219
  272   2HB   MET 954          HB2       MET 954  -4.641  15.075   4.171
  273   1HG   MET 954          HG1       MET 954  -2.325  14.934   3.427
  274   2HG   MET 954          HG2       MET 954  -2.719  13.503   2.476
  275   1HE   MET 954          HE1       MET 954  -2.313  15.836  -0.494
  276   2HE   MET 954          HE2       MET 954  -1.275  15.574   0.908
  277   3HE   MET 954          HE3       MET 954  -2.090  14.207   0.148
  278    H    VAL 955           H        VAL 955  -1.404  13.179   4.631
  279    HA   VAL 955           HA       VAL 955  -1.230  10.647   3.360
  280    HB   VAL 955           HB       VAL 955   0.952  12.340   4.620
  281   1HG1  VAL 955          1HG1      VAL 955   1.180   9.981   2.757
  282   2HG1  VAL 955          2HG1      VAL 955   2.511  10.985   3.334
  283   3HG1  VAL 955          3HG1      VAL 955   1.604   9.985   4.470
  284   1HG2  VAL 955          1HG2      VAL 955  -0.230  13.410   2.749
  285   2HG2  VAL 955          2HG2      VAL 955   1.440  13.019   2.341
  286   3HG2  VAL 955          3HG2      VAL 955   0.125  12.009   1.738
  287    H    LYS 956           H        LYS 956  -1.240  11.736   6.658
  288    HA   LYS 956           HA       LYS 956  -0.104   9.491   7.916
  289   1HB   LYS 956          HB1       LYS 956  -0.780  11.513   9.150
  290   2HB   LYS 956          HB2       LYS 956  -2.468  11.153   8.817
  291   1HG   LYS 956          HG1       LYS 956  -2.211   9.044  10.109
  292   2HG   LYS 956          HG2       LYS 956  -0.583   9.572  10.549
  293   1HD   LYS 956          HD1       LYS 956  -1.484  11.548  11.624
  294   2HD   LYS 956          HD2       LYS 956  -3.114  11.115  11.111
  295   1HE   LYS 956          HE1       LYS 956  -2.875  10.508  13.405
  296   2HE   LYS 956          HE2       LYS 956  -2.907   9.026  12.451
  297   1HZ   LYS 956          HZ1       LYS 956  -0.401  10.325  13.363
  298   2HZ   LYS 956          HZ2       LYS 956  -1.184   9.106  14.234
  299   3HZ   LYS 956          HZ3       LYS 956  -0.571   8.781  12.687
  300    H    GLU 957           H        GLU 957  -3.342  10.109   6.691
  301    HA   GLU 957           HA       GLU 957  -4.624   7.763   7.344
  302   1HB   GLU 957          HB1       GLU 957  -4.949   9.104   4.659
  303   2HB   GLU 957          HB2       GLU 957  -6.161   8.230   5.583
  304   1HG   GLU 957          HG1       GLU 957  -4.948  10.879   6.344
  305   2HG   GLU 957          HG2       GLU 957  -6.535  10.639   5.621
  306    H    VAL 958           H        VAL 958  -2.682   8.399   4.378
  307    HA   VAL 958           HA       VAL 958  -2.856   5.658   3.543
  308    HB   VAL 958           HB       VAL 958  -1.454   6.182   1.718
  309   1HG1  VAL 958          1HG1      VAL 958  -3.640   7.187   1.575
  310   2HG1  VAL 958          2HG1      VAL 958  -3.068   8.631   2.409
  311   3HG1  VAL 958          3HG1      VAL 958  -2.447   8.233   0.806
  312   1HG2  VAL 958          1HG2      VAL 958   0.377   7.256   2.933
  313   2HG2  VAL 958          2HG2      VAL 958  -0.117   8.207   1.534
  314   3HG2  VAL 958          3HG2      VAL 958  -0.612   8.701   3.152
  315    H    GLY 959           H        GLY 959  -0.724   7.381   5.641
  316   1HA   GLY 959          HA1       GLY 959   1.511   5.629   5.451
  317   2HA   GLY 959          HA2       GLY 959   1.182   6.751   6.765
  318    H    LEU 960           H        LEU 960  -1.247   5.814   7.667
  319    HA   LEU 960           HA       LEU 960  -0.525   3.498   9.150
  320   1HB   LEU 960          HB1       LEU 960  -3.166   4.907   8.773
  321   2HB   LEU 960          HB2       LEU 960  -2.939   3.552   9.863
  322    HG   LEU 960           HG       LEU 960  -1.539   6.222  10.067
  323   1HD1  LEU 960          1HD1      LEU 960  -3.898   6.365  10.650
  324   2HD1  LEU 960          2HD1      LEU 960  -3.724   4.993  11.743
  325   3HD1  LEU 960          3HD1      LEU 960  -2.891   6.508  12.090
  326   1HD2  LEU 960          1HD2      LEU 960  -0.147   4.370  10.857
  327   2HD2  LEU 960          2HD2      LEU 960  -0.692   5.382  12.196
  328   3HD2  LEU 960          3HD2      LEU 960  -1.461   3.823  11.898
  329    H    ALA 961           H        ALA 961  -2.112   4.070   6.171
  330    HA   ALA 961           HA       ALA 961  -3.530   1.716   5.770
  331   1HB   ALA 961          HB1       ALA 961  -3.595   3.658   4.260
  332   2HB   ALA 961          HB2       ALA 961  -1.989   3.227   3.673
  333   3HB   ALA 961          HB3       ALA 961  -3.348   2.136   3.406
  334    H    LEU 962           H        LEU 962  -0.150   2.358   4.705
  335    HA   LEU 962           HA       LEU 962   0.237  -0.367   3.996
  336   1HB   LEU 962          HB1       LEU 962   1.510   1.272   2.836
  337   2HB   LEU 962          HB2       LEU 962   2.155   1.924   4.336
  338    HG   LEU 962           HG       LEU 962   3.373  -0.219   4.692
  339   1HD1  LEU 962          1HD1      LEU 962   2.404  -0.836   1.907
  340   2HD1  LEU 962          2HD1      LEU 962   3.592  -1.767   2.819
  341   3HD1  LEU 962          3HD1      LEU 962   1.925  -1.672   3.386
  342   1HD2  LEU 962          1HD2      LEU 962   4.515   1.683   3.702
  343   2HD2  LEU 962          2HD2      LEU 962   5.078   0.178   2.976
  344   3HD2  LEU 962          3HD2      LEU 962   3.949   1.210   2.099
  345    H    ARG 963           H        ARG 963   0.880   1.510   6.923
  346    HA   ARG 963           HA       ARG 963   2.476  -0.387   8.237
  347   1HB   ARG 963          HB1       ARG 963   2.036   1.979   9.003
  348   2HB   ARG 963          HB2       ARG 963   0.453   1.448   9.546
  349   1HG   ARG 963          HG1       ARG 963   2.932   0.096  10.541
  350   2HG   ARG 963          HG2       ARG 963   2.381   1.610  11.255
  351   1HD   ARG 963          HD1       ARG 963   0.283   0.627  11.869
  352   2HD   ARG 963          HD2       ARG 963   0.662  -0.850  10.988
  353    HE   ARG 963           HE       ARG 963   2.666  -0.702  12.792
  354   1HH1  ARG 963          2HH1      ARG 963  -0.816  -0.483  13.083
  355   2HH1  ARG 963          1HH1      ARG 963  -0.853  -1.187  14.675
  356   1HH2  ARG 963          2HH2      ARG 963   2.611  -1.661  14.883
  357   2HH2  ARG 963          1HH2      ARG 963   1.078  -1.871  15.685
  358    H    THR 964           H        THR 964  -1.058   0.122   8.506
  359    HA   THR 964           HA       THR 964  -1.645  -2.223   9.871
  360    HB   THR 964           HB       THR 964  -3.434  -0.967   7.784
  361    HG1  THR 964           HG1      THR 964  -3.186   0.746   9.032
  362   1HG2  THR 964          1HG2      THR 964  -4.239  -3.088   8.706
  363   2HG2  THR 964          2HG2      THR 964  -4.045  -2.458  10.342
  364   3HG2  THR 964          3HG2      THR 964  -5.237  -1.744   9.256
  365    H    LEU 965           H        LEU 965  -1.058  -1.657   6.493
  366    HA   LEU 965           HA       LEU 965  -1.911  -4.147   5.485
  367   1HB   LEU 965          HB1       LEU 965  -0.866  -1.855   4.395
  368   2HB   LEU 965          HB2       LEU 965   0.434  -3.008   4.161
  369    HG   LEU 965           HG       LEU 965  -2.399  -3.282   3.159
  370   1HD1  LEU 965          1HD1      LEU 965   0.213  -2.822   1.732
  371   2HD1  LEU 965          2HD1      LEU 965  -1.341  -3.121   0.955
  372   3HD1  LEU 965          3HD1      LEU 965  -1.102  -1.661   1.917
  373   1HD2  LEU 965          1HD2      LEU 965  -0.044  -5.138   2.823
  374   2HD2  LEU 965          2HD2      LEU 965  -1.489  -5.459   3.783
  375   3HD2  LEU 965          3HD2      LEU 965  -1.610  -5.302   2.029
  376    H    LEU 966           H        LEU 966   1.240  -3.015   6.642
  377    HA   LEU 966           HA       LEU 966   2.757  -5.286   6.386
  378   1HB   LEU 966          HB1       LEU 966   2.750  -3.326   8.676
  379   2HB   LEU 966          HB2       LEU 966   4.009  -4.517   8.403
  380    HG   LEU 966           HG       LEU 966   3.295  -2.259   6.526
  381   1HD1  LEU 966          1HD1      LEU 966   5.664  -2.641   8.351
  382   2HD1  LEU 966          2HD1      LEU 966   5.463  -1.336   7.181
  383   3HD1  LEU 966          3HD1      LEU 966   4.367  -1.462   8.557
  384   1HD2  LEU 966          1HD2      LEU 966   4.110  -4.189   5.310
  385   2HD2  LEU 966          2HD2      LEU 966   5.345  -2.929   5.340
  386   3HD2  LEU 966          3HD2      LEU 966   5.486  -4.328   6.405
  387    H    ALA 967           H        ALA 967   0.255  -4.700   8.815
  388    HA   ALA 967           HA       ALA 967   0.774  -6.961  10.430
  389   1HB   ALA 967          HB1       ALA 967  -1.534  -6.773  11.171
  390   2HB   ALA 967          HB2       ALA 967  -0.792  -5.176  11.075
  391   3HB   ALA 967          HB3       ALA 967  -1.903  -5.708   9.814
  392    H    THR 968           H        THR 968  -1.468  -6.552   7.703
  393    HA   THR 968           HA       THR 968  -2.123  -9.198   7.235
  394    HB   THR 968           HB       THR 968  -1.943  -6.745   5.565
  395    HG1  THR 968           HG1      THR 968  -4.216  -7.994   5.260
  396   1HG2  THR 968          1HG2      THR 968  -1.077  -8.434   4.041
  397   2HG2  THR 968          2HG2      THR 968  -2.448  -9.481   4.400
  398   3HG2  THR 968          3HG2      THR 968  -2.705  -7.946   3.571
  399    H    VAL 969           H        VAL 969   0.619  -7.363   5.842
  400    HA   VAL 969           HA       VAL 969   1.853  -9.339   4.430
  401    HB   VAL 969           HB       VAL 969   3.207  -7.210   6.097
  402   1HG1  VAL 969          1HG1      VAL 969   5.119  -7.476   4.601
  403   2HG1  VAL 969          2HG1      VAL 969   4.788  -8.969   5.479
  404   3HG1  VAL 969          3HG1      VAL 969   4.306  -8.814   3.789
  405   1HG2  VAL 969          1HG2      VAL 969   1.625  -6.315   4.472
  406   2HG2  VAL 969          2HG2      VAL 969   3.285  -5.950   4.000
  407   3HG2  VAL 969          3HG2      VAL 969   2.402  -7.243   3.189
  408    H    ASP 970           H        ASP 970   1.815  -9.004   7.932
  409    HA   ASP 970           HA       ASP 970   3.871 -10.931   8.390
  410   1HB   ASP 970          HB1       ASP 970   3.250  -9.273  10.110
  411   2HB   ASP 970          HB2       ASP 970   1.658 -10.013  10.241
  412    H    GLU 971           H        GLU 971   0.363 -11.185   8.047
  413    HA   GLU 971           HA       GLU 971   0.146 -13.935   8.628
  414   1HB   GLU 971          HB1       GLU 971  -1.329 -12.508   6.406
  415   2HB   GLU 971          HB2       GLU 971  -1.875 -13.898   7.332
  416   1HG   GLU 971          HG1       GLU 971  -1.421 -11.160   8.481
  417   2HG   GLU 971          HG2       GLU 971  -2.989 -11.769   7.934
  418    H    SER 972           H        SER 972   0.531 -12.300   5.512
  419    HA   SER 972           HA       SER 972   1.238 -14.431   3.951
  420   1HB   SER 972          HB1       SER 972   0.725 -12.214   3.076
  421   2HB   SER 972          HB2       SER 972   2.221 -11.579   3.771
  422    HG   SER 972           HG       SER 972   3.350 -13.084   2.413
  423    H    LEU 973           H        LEU 973   3.193 -12.879   6.402
  424    HA   LEU 973           HA       LEU 973   5.731 -13.359   5.318
  425   1HB   LEU 973          HB1       LEU 973   5.149 -11.904   7.312
  426   2HB   LEU 973          HB2       LEU 973   5.083 -13.366   8.273
  427    HG   LEU 973           HG       LEU 973   7.576 -12.623   6.757
  428   1HD1  LEU 973          1HD1      LEU 973   8.382 -11.522   8.781
  429   2HD1  LEU 973          2HD1      LEU 973   6.959 -10.702   8.138
  430   3HD1  LEU 973          3HD1      LEU 973   6.808 -11.756   9.544
  431   1HD2  LEU 973          1HD2      LEU 973   7.071 -14.262   9.245
  432   2HD2  LEU 973          2HD2      LEU 973   7.462 -14.892   7.644
  433   3HD2  LEU 973          3HD2      LEU 973   8.652 -13.940   8.532
  434    HA   PRO 974           HA       PRO 974   5.764 -17.763   7.501
  435   1HB   PRO 974          HB1       PRO 974   2.800 -18.088   7.565
  436   2HB   PRO 974          HB2       PRO 974   4.030 -18.774   8.633
  437   1HG   PRO 974          HG1       PRO 974   2.533 -16.735   9.439
  438   2HG   PRO 974          HG2       PRO 974   4.257 -16.812   9.851
  439   1HD   PRO 974          HD1       PRO 974   2.864 -15.141   7.812
  440   2HD   PRO 974          HD2       PRO 974   4.259 -14.747   8.834
  441    H    VAL 975           H        VAL 975   3.343 -16.411   5.336
  442    HA   VAL 975           HA       VAL 975   3.417 -18.726   3.568
  443    HB   VAL 975           HB       VAL 975   2.417 -16.011   2.779
  444   1HG1  VAL 975          1HG1      VAL 975   1.679 -18.827   1.998
  445   2HG1  VAL 975          2HG1      VAL 975   0.900 -17.361   1.399
  446   3HG1  VAL 975          3HG1      VAL 975   2.596 -17.674   1.029
  447   1HG2  VAL 975          1HG2      VAL 975   0.883 -18.135   4.282
  448   2HG2  VAL 975          2HG2      VAL 975   1.444 -16.610   4.967
  449   3HG2  VAL 975          3HG2      VAL 975   0.243 -16.608   3.675
  450    H    LEU 976           H        LEU 976   5.396 -15.910   3.970
  451    HA   LEU 976           HA       LEU 976   6.582 -15.724   1.452
  452   1HB   LEU 976          HB1       LEU 976   7.664 -15.184   4.196
  453   2HB   LEU 976          HB2       LEU 976   8.751 -15.188   2.825
  454    HG   LEU 976           HG       LEU 976   7.640 -13.338   1.823
  455   1HD1  LEU 976          1HD1      LEU 976   5.782 -12.181   2.866
  456   2HD1  LEU 976          2HD1      LEU 976   5.342 -13.832   2.430
  457   3HD1  LEU 976          3HD1      LEU 976   5.694 -13.427   4.110
  458   1HD2  LEU 976          1HD2      LEU 976   8.146 -12.908   4.757
  459   2HD2  LEU 976          2HD2      LEU 976   9.329 -12.820   3.453
  460   3HD2  LEU 976          3HD2      LEU 976   8.034 -11.628   3.549
  461    HA   PRO 977           HA       PRO 977   9.866 -19.107   2.672
  462   1HB   PRO 977          HB1       PRO 977   9.052 -20.764   4.741
  463   2HB   PRO 977          HB2       PRO 977  10.246 -19.471   4.886
  464   1HG   PRO 977          HG1       PRO 977   7.342 -19.457   5.577
  465   2HG   PRO 977          HG2       PRO 977   8.708 -18.728   6.442
  466   1HD   PRO 977          HD1       PRO 977   7.075 -17.235   4.950
  467   2HD   PRO 977          HD2       PRO 977   8.821 -16.915   4.997
  468    H    ALA 978           H        ALA 978   6.424 -19.665   3.251
  469    HA   ALA 978           HA       ALA 978   6.200 -22.212   2.140
  470   1HB   ALA 978          HB1       ALA 978   3.862 -21.654   1.717
  471   2HB   ALA 978          HB2       ALA 978   4.367 -21.087   3.310
  472   3HB   ALA 978          HB3       ALA 978   4.216 -19.946   1.974
  473    H    SER 979           H        SER 979   5.724 -19.064   0.508
  474    HA   SER 979           HA       SER 979   7.005 -19.983  -1.889
  475   1HB   SER 979          HB1       SER 979   3.994 -19.654  -1.835
  476   2HB   SER 979          HB2       SER 979   4.939 -19.653  -3.325
  477    HG   SER 979           HG       SER 979   5.504 -21.789  -1.700
  478    H    THR 980           H        THR 980   4.762 -17.649  -0.507
  479    HA   THR 980           HA       THR 980   4.738 -15.634  -2.330
  480    HB   THR 980           HB       THR 980   4.768 -15.226   0.651
  481    HG1  THR 980           HG1      THR 980   2.625 -15.786   0.570
  482   1HG2  THR 980          1HG2      THR 980   3.414 -13.681  -1.563
  483   2HG2  THR 980          2HG2      THR 980   3.303 -13.339   0.164
  484   3HG2  THR 980          3HG2      THR 980   4.843 -13.154  -0.675
  485    H    HIS 981           H        HIS 981   7.493 -16.323  -0.289
  486    HA   HIS 981           HA       HIS 981   8.431 -13.830   0.278
  487   1HB   HIS 981          HB1       HIS 981  10.652 -14.762   0.547
  488   2HB   HIS 981          HB2       HIS 981   9.450 -15.887   1.160
  489    HD1  HIS 981           HD1      HIS 981   9.134 -18.107  -0.140
  490    HD2  HIS 981           HD2      HIS 981  12.172 -15.677  -1.596
  491    HE1  HIS 981           HE1      HIS 981  10.467 -19.557  -1.703
  492    HE2  HIS 981           HE2      HIS 981  12.431 -18.132  -2.377
  493    H    ARG 982           H        ARG 982   8.854 -15.411  -2.914
  494    HA   ARG 982           HA       ARG 982  10.662 -13.486  -3.874
  495   1HB   ARG 982          HB1       ARG 982   8.593 -15.046  -5.425
  496   2HB   ARG 982          HB2       ARG 982   9.991 -14.230  -6.109
  497   1HG   ARG 982          HG1       ARG 982  11.471 -15.733  -4.870
  498   2HG   ARG 982          HG2       ARG 982  10.061 -16.557  -4.199
  499   1HD   ARG 982          HD1       ARG 982  10.909 -17.820  -6.067
  500   2HD   ARG 982          HD2       ARG 982   9.346 -17.126  -6.493
  501    HE   ARG 982           HE       ARG 982  11.787 -15.720  -7.296
  502   1HH1  ARG 982          2HH1      ARG 982   8.962 -17.590  -8.176
  503   2HH1  ARG 982          1HH1      ARG 982   9.096 -17.234  -9.874
  504   1HH2  ARG 982          2HH2      ARG 982  11.977 -15.261  -9.525
  505   2HH2  ARG 982          1HH2      ARG 982  10.804 -15.910 -10.636
  506    H    GLU 983           H        GLU 983   7.121 -13.646  -4.398
  507    HA   GLU 983           HA       GLU 983   7.019 -11.105  -5.609
  508   1HB   GLU 983          HB1       GLU 983   5.186 -13.043  -5.429
  509   2HB   GLU 983          HB2       GLU 983   4.586 -11.959  -4.176
  510   1HG   GLU 983          HG1       GLU 983   3.494 -11.166  -6.044
  511   2HG   GLU 983          HG2       GLU 983   4.911 -10.108  -5.946
  512    H    ILE 984           H        ILE 984   6.354 -12.081  -2.274
  513    HA   ILE 984           HA       ILE 984   5.265  -9.640  -1.462
  514    HB   ILE 984           HB       ILE 984   5.118 -11.682  -0.104
  515   1HG1  ILE 984          1HG1      ILE 984   5.638 -10.637   2.115
  516   2HG1  ILE 984          2HG1      ILE 984   6.464  -9.336   1.268
  517   1HG2  ILE 984          1HG2      ILE 984   8.049 -11.184   0.407
  518   2HG2  ILE 984          2HG2      ILE 984   7.055 -12.382   1.235
  519   3HG2  ILE 984          3HG2      ILE 984   7.355 -12.531  -0.497
  520   1HD1  ILE 984          1HD1      ILE 984   3.547 -10.026   1.059
  521   2HD1  ILE 984          2HD1      ILE 984   4.248  -8.650   1.912
  522   3HD1  ILE 984          3HD1      ILE 984   4.362  -8.752   0.154
  523    H    GLU 985           H        GLU 985   8.636 -10.766  -1.596
  524    HA   GLU 985           HA       GLU 985   9.652  -8.389  -0.428
  525   1HB   GLU 985          HB1       GLU 985  11.849  -9.102  -1.075
  526   2HB   GLU 985          HB2       GLU 985  10.949 -10.481  -0.466
  527   1HG   GLU 985          HG1       GLU 985  10.643 -11.348  -2.649
  528   2HG   GLU 985          HG2       GLU 985  11.283  -9.875  -3.389
  529    H    MET 986           H        MET 986   8.736  -9.135  -3.759
  530    HA   MET 986           HA       MET 986  10.150  -6.892  -4.817
  531   1HB   MET 986          HB1       MET 986   9.066  -7.203  -6.887
  532   2HB   MET 986          HB2       MET 986   9.351  -8.811  -6.246
  533   1HG   MET 986          HG1       MET 986   7.121  -9.204  -5.874
  534   2HG   MET 986          HG2       MET 986   6.723  -7.489  -5.759
  535   1HE   MET 986          HE1       MET 986   7.984 -10.278  -8.267
  536   2HE   MET 986          HE2       MET 986   7.818  -9.434  -9.806
  537   3HE   MET 986          HE3       MET 986   9.006  -8.885  -8.623
  538    H    ALA 987           H        ALA 987   6.810  -7.428  -3.857
  539    HA   ALA 987           HA       ALA 987   5.969  -4.779  -4.377
  540   1HB   ALA 987          HB1       ALA 987   4.693  -6.809  -2.566
  541   2HB   ALA 987          HB2       ALA 987   3.928  -5.382  -3.265
  542   3HB   ALA 987          HB3       ALA 987   4.446  -6.706  -4.307
  543    H    GLN 988           H        GLN 988   6.871  -6.471  -1.387
  544    HA   GLN 988           HA       GLN 988   6.152  -4.445   0.364
  545   1HB   GLN 988          HB1       GLN 988   6.691  -6.669   1.159
  546   2HB   GLN 988          HB2       GLN 988   8.363  -6.489   0.644
  547   1HG   GLN 988          HG1       GLN 988   8.640  -4.669   2.283
  548   2HG   GLN 988          HG2       GLN 988   6.988  -4.948   2.835
  549   1HE2  GLN 988          2HE2      GLN 988  10.234  -6.183   2.752
  550   2HE2  GLN 988          1HE2      GLN 988  10.014  -7.405   3.954
  551    H    LYS 989           H        LYS 989   9.326  -4.988  -1.189
  552    HA   LYS 989           HA       LYS 989  10.606  -2.755   0.004
  553   1HB   LYS 989          HB1       LYS 989  11.881  -4.557  -1.067
  554   2HB   LYS 989          HB2       LYS 989  11.177  -4.151  -2.624
  555   1HG   LYS 989          HG1       LYS 989  13.451  -3.320  -2.444
  556   2HG   LYS 989          HG2       LYS 989  12.304  -1.987  -2.577
  557   1HD   LYS 989          HD1       LYS 989  12.406  -1.684  -0.138
  558   2HD   LYS 989          HD2       LYS 989  13.588  -2.988  -0.037
  559   1HE   LYS 989          HE1       LYS 989  13.964  -0.456  -1.629
  560   2HE   LYS 989          HE2       LYS 989  14.592  -0.713  -0.001
  561   1HZ   LYS 989          HZ1       LYS 989  16.263  -1.132  -1.709
  562   2HZ   LYS 989          HZ2       LYS 989  15.929  -2.537  -0.822
  563   3HZ   LYS 989          HZ3       LYS 989  15.295  -2.349  -2.386
  564    H    LEU 990           H        LEU 990   8.666  -3.234  -2.835
  565    HA   LEU 990           HA       LEU 990   8.960  -0.673  -3.986
  566   1HB   LEU 990          HB1       LEU 990   8.196  -2.166  -5.506
  567   2HB   LEU 990          HB2       LEU 990   7.302  -3.085  -4.322
  568    HG   LEU 990           HG       LEU 990   5.509  -1.386  -4.414
  569   1HD1  LEU 990          1HD1      LEU 990   6.877   0.507  -5.198
  570   2HD1  LEU 990          2HD1      LEU 990   7.107  -0.310  -6.743
  571   3HD1  LEU 990          3HD1      LEU 990   5.496   0.221  -6.257
  572   1HD2  LEU 990          1HD2      LEU 990   4.658  -2.097  -6.594
  573   2HD2  LEU 990          2HD2      LEU 990   6.267  -2.673  -7.028
  574   3HD2  LEU 990          3HD2      LEU 990   5.385  -3.436  -5.706
  575    H    LEU 991           H        LEU 991   6.712  -2.015  -1.608
  576    HA   LEU 991           HA       LEU 991   4.961   0.164  -1.370
  577   1HB   LEU 991          HB1       LEU 991   5.912  -1.531   0.930
  578   2HB   LEU 991          HB2       LEU 991   4.394  -0.665   0.799
  579    HG   LEU 991           HG       LEU 991   5.087  -2.937  -1.033
  580   1HD1  LEU 991          1HD1      LEU 991   3.760  -4.366   0.473
  581   2HD1  LEU 991          2HD1      LEU 991   5.235  -3.776   1.242
  582   3HD1  LEU 991          3HD1      LEU 991   3.679  -3.043   1.635
  583   1HD2  LEU 991          1HD2      LEU 991   2.497  -1.652  -0.184
  584   2HD2  LEU 991          2HD2      LEU 991   3.276  -1.514  -1.760
  585   3HD2  LEU 991          3HD2      LEU 991   2.636  -3.069  -1.227
  586    H    ASN 992           H        ASN 992   7.719  -0.696   0.677
  587    HA   ASN 992           HA       ASN 992   7.984   1.459   2.249
  588   1HB   ASN 992          HB1       ASN 992   9.426  -0.547   2.291
  589   2HB   ASN 992          HB2       ASN 992  10.269   0.046   0.864
  590   1HD2  ASN 992          2HD2      ASN 992   9.863   0.328   4.276
  591   2HD2  ASN 992          1HD2      ASN 992  11.143   1.466   4.554
  592    H    SER 993           H        SER 993   9.151   1.276  -1.110
  593    HA   SER 993           HA       SER 993  10.357   3.869  -0.966
  594   1HB   SER 993          HB1       SER 993  10.566   3.556  -3.480
  595   2HB   SER 993          HB2       SER 993  11.358   2.339  -2.479
  596    HG   SER 993           HG       SER 993   8.860   2.113  -3.830
  597    H    ASP 994           H        ASP 994   7.318   2.595  -2.341
  598    HA   ASP 994           HA       ASP 994   6.826   5.146  -3.596
  599   1HB   ASP 994          HB1       ASP 994   5.352   2.530  -3.627
  600   2HB   ASP 994          HB2       ASP 994   4.707   3.982  -4.392
  601    H    LEU 995           H        LEU 995   5.349   3.326  -0.874
  602    HA   LEU 995           HA       LEU 995   3.476   5.294  -0.194
  603   1HB   LEU 995          HB1       LEU 995   3.333   3.226   0.983
  604   2HB   LEU 995          HB2       LEU 995   5.014   3.286   1.459
  605    HG   LEU 995           HG       LEU 995   3.255   3.616   3.266
  606   1HD1  LEU 995          1HD1      LEU 995   4.554   5.310   4.458
  607   2HD1  LEU 995          2HD1      LEU 995   5.588   4.123   3.663
  608   3HD1  LEU 995          3HD1      LEU 995   5.383   5.726   2.957
  609   1HD2  LEU 995          1HD2      LEU 995   1.765   5.115   2.100
  610   2HD2  LEU 995          2HD2      LEU 995   2.396   5.895   3.550
  611   3HD2  LEU 995          3HD2      LEU 995   3.042   6.325   1.967
  612    H    ALA 996           H        ALA 996   6.902   4.921   0.809
  613    HA   ALA 996           HA       ALA 996   7.233   7.220   2.192
  614   1HB   ALA 996          HB1       ALA 996   9.250   6.104   0.265
  615   2HB   ALA 996          HB2       ALA 996   9.581   7.157   1.640
  616   3HB   ALA 996          HB3       ALA 996   8.972   5.522   1.907
  617    H    GLU 997           H        GLU 997   6.712   7.100  -1.261
  618    HA   GLU 997           HA       GLU 997   7.863   9.750  -1.575
  619   1HB   GLU 997          HB1       GLU 997   6.199   8.192  -3.555
  620   2HB   GLU 997          HB2       GLU 997   7.044   9.707  -3.862
  621   1HG   GLU 997          HG1       GLU 997   9.175   8.530  -3.294
  622   2HG   GLU 997          HG2       GLU 997   8.262   7.024  -3.265
  623    H    LEU 998           H        LEU 998   4.768   8.222  -1.101
  624    HA   LEU 998           HA       LEU 998   3.319  10.695  -1.413
  625   1HB   LEU 998          HB1       LEU 998   2.317   8.426  -1.852
  626   2HB   LEU 998          HB2       LEU 998   2.347   8.149  -0.121
  627    HG   LEU 998           HG       LEU 998   0.777   9.944   0.264
  628   1HD1  LEU 998          1HD1      LEU 998  -0.184  11.226  -1.589
  629   2HD1  LEU 998          2HD1      LEU 998   1.553  11.495  -1.440
  630   3HD1  LEU 998          3HD1      LEU 998   0.931  10.436  -2.706
  631   1HD2  LEU 998          1HD2      LEU 998  -1.173   9.083  -0.924
  632   2HD2  LEU 998          2HD2      LEU 998  -0.115   8.216  -2.038
  633   3HD2  LEU 998          3HD2      LEU 998  -0.154   7.770  -0.332
  634    H    ILE 999           H        ILE 999   4.808   8.851   1.173
  635    HA   ILE 999           HA       ILE 999   3.821  10.598   3.239
  636    HB   ILE 999           HB       ILE 999   4.787   8.149   3.476
  637   1HG1  ILE 999          1HG1      ILE 999   5.369  10.306   5.515
  638   2HG1  ILE 999          2HG1      ILE 999   3.803   9.541   5.269
  639   1HG2  ILE 999          1HG2      ILE 999   7.011   8.633   2.635
  640   2HG2  ILE 999          2HG2      ILE 999   7.251   9.830   3.908
  641   3HG2  ILE 999          3HG2      ILE 999   7.086   8.122   4.321
  642   1HD1  ILE 999          1HD1      ILE 999   4.782   7.383   5.909
  643   2HD1  ILE 999          2HD1      ILE 999   6.322   8.188   6.207
  644   3HD1  ILE 999          3HD1      ILE 999   4.912   8.591   7.187
  645    H    ASN1000           H        ASN1000   5.776  11.054   0.723
  646    HA   ASN1000           HA       ASN1000   7.313  13.170   2.069
  647   1HB   ASN1000          HB1       ASN1000   7.834  11.620  -0.418
  648   2HB   ASN1000          HB2       ASN1000   8.230  13.334  -0.453
  649   1HD2  ASN1000          2HD2      ASN1000   8.947  10.264   0.981
  650   2HD2  ASN1000          1HD2      ASN1000  10.468  10.725   1.672
  651    H    LYS1001           H        LYS1001   4.517  12.527   0.272
  652    HA   LYS1001           HA       LYS1001   4.161  15.250  -0.560
  653   1HB   LYS1001          HB1       LYS1001   2.652  13.716  -1.573
  654   2HB   LYS1001          HB2       LYS1001   2.243  12.979  -0.030
  655   1HG   LYS1001          HG1       LYS1001   0.436  14.379  -0.926
  656   2HG   LYS1001          HG2       LYS1001   1.020  14.946   0.638
  657   1HD   LYS1001          HD1       LYS1001   2.428  16.607  -0.556
  658   2HD   LYS1001          HD2       LYS1001   1.689  16.089  -2.072
  659   1HE   LYS1001          HE1       LYS1001  -0.534  16.670  -1.096
  660   2HE   LYS1001          HE2       LYS1001   0.313  17.349   0.293
  661   1HZ   LYS1001          HZ1       LYS1001   0.618  18.244  -2.516
  662   2HZ   LYS1001          HZ2       LYS1001  -0.268  19.046  -1.321
  663   3HZ   LYS1001          HZ3       LYS1001   1.414  18.903  -1.176
  664    H    MET1002           H        MET1002   3.593  13.289   2.253
  665    HA   MET1002           HA       MET1002   2.566  15.262   3.976
  666   1HB   MET1002          HB1       MET1002   2.388  13.037   4.747
  667   2HB   MET1002          HB2       MET1002   4.066  12.677   4.365
  668   1HG   MET1002          HG1       MET1002   4.724  14.256   6.189
  669   2HG   MET1002          HG2       MET1002   3.021  14.348   6.634
  670   1HE   MET1002          HE1       MET1002   1.623  12.260   7.569
  671   2HE   MET1002          HE2       MET1002   2.043  11.372   6.104
  672   3HE   MET1002          HE3       MET1002   2.284  10.629   7.685
  673    H    LYS1003           H        LYS1003   5.829  13.903   3.652
  674    HA   LYS1003           HA       LYS1003   7.023  15.759   5.389
  675   1HB   LYS1003          HB1       LYS1003   8.033  13.743   3.439
  676   2HB   LYS1003          HB2       LYS1003   9.159  14.931   4.089
  677   1HG   LYS1003          HG1       LYS1003   8.415  14.236   6.370
  678   2HG   LYS1003          HG2       LYS1003   7.543  12.910   5.595
  679   1HD   LYS1003          HD1       LYS1003   9.559  11.970   4.748
  680   2HD   LYS1003          HD2       LYS1003  10.488  13.399   5.206
  681   1HE   LYS1003          HE1       LYS1003  10.916  11.609   6.771
  682   2HE   LYS1003          HE2       LYS1003  10.034  12.906   7.575
  683   1HZ   LYS1003          HZ1       LYS1003   9.172  10.733   8.171
  684   2HZ   LYS1003          HZ2       LYS1003   7.999  11.628   7.336
  685   3HZ   LYS1003          HZ3       LYS1003   8.845  10.386   6.542
  686    H    LEU1004           H        LEU1004   7.069  15.598   1.826
  687    HA   LEU1004           HA       LEU1004   8.970  17.750   1.813
  688   1HB   LEU1004          HB1       LEU1004   9.301  15.817   0.397
  689   2HB   LEU1004          HB2       LEU1004   7.780  16.115  -0.410
  690    HG   LEU1004           HG       LEU1004   9.785  18.294  -0.552
  691   1HD1  LEU1004          1HD1      LEU1004  11.194  16.331  -0.846
  692   2HD1  LEU1004          2HD1      LEU1004  10.081  15.700  -2.061
  693   3HD1  LEU1004          3HD1      LEU1004  10.982  17.184  -2.375
  694   1HD2  LEU1004          1HD2      LEU1004   8.906  18.504  -2.794
  695   2HD2  LEU1004          2HD2      LEU1004   8.022  16.984  -2.624
  696   3HD2  LEU1004          3HD2      LEU1004   7.567  18.384  -1.652
  697    H    ALA1005           H        ALA1005   5.555  17.376   1.042
  698    HA   ALA1005           HA       ALA1005   5.386  19.880  -0.332
  699   1HB   ALA1005          HB1       ALA1005   3.181  18.333   1.020
  700   2HB   ALA1005          HB2       ALA1005   2.977  19.664  -0.118
  701   3HB   ALA1005          HB3       ALA1005   3.693  18.146  -0.659
  702    H    GLN1006           H        GLN1006   4.762  18.819   2.982
  703    HA   GLN1006           HA       GLN1006   4.161  21.470   3.901
  704   1HB   GLN1006          HB1       GLN1006   3.796  20.497   5.990
  705   2HB   GLN1006          HB2       GLN1006   3.400  19.191   4.882
  706   1HG   GLN1006          HG1       GLN1006   4.645  18.067   6.414
  707   2HG   GLN1006          HG2       GLN1006   5.895  18.513   5.261
  708   1HE2  GLN1006          2HE2      GLN1006   4.410  20.726   7.538
  709   2HE2  GLN1006          1HE2      GLN1006   5.828  20.958   8.511
  710    H    GLN1007           H        GLN1007   6.961  19.477   3.484
  711    HA   GLN1007           HA       GLN1007   8.803  20.574   5.199
  712   1HB   GLN1007          HB1       GLN1007   8.987  18.660   3.468
  713   2HB   GLN1007          HB2       GLN1007   9.516  19.918   2.368
  714   1HG   GLN1007          HG1       GLN1007  11.355  18.673   3.440
  715   2HG   GLN1007          HG2       GLN1007  11.406  20.413   3.751
  716   1HE2  GLN1007          2HE2      GLN1007  10.666  17.275   5.119
  717   2HE2  GLN1007          1HE2      GLN1007  10.747  17.769   6.775
  718    H    TYR1008           H        TYR1008   8.082  21.691   1.889
  719    HA   TYR1008           HA       TYR1008   9.859  23.959   2.357
  720   1HB   TYR1008          HB1       TYR1008   8.318  23.325  -0.151
  721   2HB   TYR1008          HB2       TYR1008   9.699  24.399   0.017
  722    HD1  TYR1008           HD1      TYR1008   8.729  21.364  -1.235
  723    HD2  TYR1008           HD2      TYR1008  11.826  23.062   1.155
  724    HE1  TYR1008           HE1      TYR1008  10.235  19.542  -1.893
  725    HE2  TYR1008           HE2      TYR1008  13.334  21.226   0.515
  726    HH   TYR1008           HH       TYR1008  13.077  18.827  -0.276
  727    H    VAL1009           H        VAL1009   6.525  23.385   1.282
  728    HA   VAL1009           HA       VAL1009   4.774  24.804   0.962
  729    HB   VAL1009           HB       VAL1009   4.575  24.045   3.300
  730   1HG1  VAL1009          1HG1      VAL1009   6.518  25.082   4.299
  731   2HG1  VAL1009          2HG1      VAL1009   5.826  26.682   4.032
  732   3HG1  VAL1009          3HG1      VAL1009   5.052  25.563   5.155
  733   1HG2  VAL1009          1HG2      VAL1009   2.916  25.696   4.009
  734   2HG2  VAL1009          2HG2      VAL1009   3.531  26.824   2.801
  735   3HG2  VAL1009          3HG2      VAL1009   2.777  25.312   2.294
  736    H    MET1010           H        MET1010   6.847  25.975  -0.266
  737    HA   MET1010           HA       MET1010   7.099  28.710   0.674
  738   1HB   MET1010          HB1       MET1010   8.416  27.139  -1.516
  739   2HB   MET1010          HB2       MET1010   8.533  28.894  -1.478
  740   1HG   MET1010          HG1       MET1010   9.404  27.029   0.721
  741   2HG   MET1010          HG2       MET1010  10.468  27.818  -0.444
  742   1HE   MET1010          HE1       MET1010  10.918  28.024   2.701
  743   2HE   MET1010          HE2       MET1010  11.944  28.798   1.493
  744   3HE   MET1010          HE3       MET1010  11.314  29.737   2.847
  745    H    THR1011           H        THR1011   5.047  29.485   0.415
  746    HA   THR1011           HA       THR1011   3.273  30.451  -0.614
  747    HB   THR1011           HB       THR1011   3.930  32.149  -2.320
  748    HG1  THR1011           HG1      THR1011   6.428  32.284  -2.324
  749   1HG2  THR1011          1HG2      THR1011   5.607  31.984   0.184
  750   2HG2  THR1011          2HG2      THR1011   5.351  33.442  -0.775
  751   3HG2  THR1011          3HG2      THR1011   3.991  32.676   0.046
  752    H    SER1012           H        SER1012   4.768  30.532  -3.733
  753    HA   SER1012           HA       SER1012   2.497  29.038  -4.803
  754   1HB   SER1012          HB1       SER1012   3.243  29.977  -6.988
  755   2HB   SER1012          HB2       SER1012   2.893  31.218  -5.786
  756    HG   SER1012           HG       SER1012   5.324  30.437  -6.910
  757    H    LEU1013           H        LEU1013   5.930  28.835  -4.416
  758    HA   LEU1013           HA       LEU1013   6.433  26.875  -6.419
  759   1HB   LEU1013          HB1       LEU1013   7.985  27.740  -3.984
  760   2HB   LEU1013          HB2       LEU1013   8.557  26.490  -5.070
  761    HG   LEU1013           HG       LEU1013   8.413  28.235  -6.925
  762   1HD1  LEU1013          1HD1      LEU1013   8.235  30.083  -4.552
  763   2HD1  LEU1013          2HD1      LEU1013   8.541  30.574  -6.219
  764   3HD1  LEU1013          3HD1      LEU1013   6.994  29.846  -5.782
  765   1HD2  LEU1013          1HD2      LEU1013  10.523  27.490  -5.999
  766   2HD2  LEU1013          2HD2      LEU1013  10.575  29.226  -6.304
  767   3HD2  LEU1013          3HD2      LEU1013  10.361  28.626  -4.659
  768    H    GLN1014           H        GLN1014   4.950  26.792  -3.395
  769    HA   GLN1014           HA       GLN1014   5.514  24.214  -2.489
  770   1HB   GLN1014          HB1       GLN1014   4.154  26.046  -1.331
  771   2HB   GLN1014          HB2       GLN1014   2.801  25.531  -2.323
  772   1HG   GLN1014          HG1       GLN1014   4.227  23.542  -0.600
  773   2HG   GLN1014          HG2       GLN1014   3.040  24.643   0.099
  774   1HE2  GLN1014          2HE2      GLN1014   3.577  21.937  -1.945
  775   2HE2  GLN1014          1HE2      GLN1014   1.914  21.567  -2.255
  776    H    GLN1015           H        GLN1015   3.465  25.362  -5.090
  777    HA   GLN1015           HA       GLN1015   1.834  23.104  -5.363
  778   1HB   GLN1015          HB1       GLN1015   2.560  25.376  -7.087
  779   2HB   GLN1015          HB2       GLN1015   1.825  23.985  -7.860
  780   1HG   GLN1015          HG1       GLN1015   0.169  25.659  -7.283
  781   2HG   GLN1015          HG2       GLN1015  -0.096  24.165  -6.386
  782   1HE2  GLN1015          2HE2      GLN1015   0.904  27.476  -6.209
  783   2HE2  GLN1015          1HE2      GLN1015   0.783  27.636  -4.491
  784    H    GLU1016           H        GLU1016   5.136  23.614  -6.490
  785    HA   GLU1016           HA       GLU1016   5.430  21.422  -8.171
  786   1HB   GLU1016          HB1       GLU1016   7.384  22.647  -7.873
  787   2HB   GLU1016          HB2       GLU1016   7.203  22.703  -6.127
  788   1HG   GLU1016          HG1       GLU1016   9.075  21.320  -6.705
  789   2HG   GLU1016          HG2       GLU1016   7.816  20.326  -5.994
  790    H    TYR1017           H        TYR1017   5.916  21.470  -4.701
  791    HA   TYR1017           HA       TYR1017   5.985  18.731  -4.271
  792   1HB   TYR1017          HB1       TYR1017   4.976  20.527  -2.092
  793   2HB   TYR1017          HB2       TYR1017   6.234  19.292  -2.053
  794    HD1  TYR1017           HD1      TYR1017   5.845  22.598  -1.564
  795    HD2  TYR1017           HD2      TYR1017   8.138  19.993  -4.015
  796    HE1  TYR1017           HE1      TYR1017   7.507  24.378  -1.895
  797    HE2  TYR1017           HE2      TYR1017   9.814  21.749  -4.344
  798    HH   TYR1017           HH       TYR1017   9.966  24.196  -4.248
  799    H    LYS1018           H        LYS1018   3.275  20.852  -4.738
  800    HA   LYS1018           HA       LYS1018   1.283  18.954  -3.912
  801   1HB   LYS1018          HB1       LYS1018   0.868  21.393  -3.957
  802   2HB   LYS1018          HB2       LYS1018   1.016  21.373  -5.708
  803   1HG   LYS1018          HG1       LYS1018  -0.945  19.973  -5.893
  804   2HG   LYS1018          HG2       LYS1018  -1.075  19.881  -4.137
  805   1HD   LYS1018          HD1       LYS1018  -1.330  22.379  -5.817
  806   2HD   LYS1018          HD2       LYS1018  -2.653  21.509  -5.038
  807   1HE   LYS1018          HE1       LYS1018  -1.534  21.936  -2.843
  808   2HE   LYS1018          HE2       LYS1018  -0.377  22.957  -3.691
  809   1HZ   LYS1018          HZ1       LYS1018  -2.215  24.376  -4.394
  810   2HZ   LYS1018          HZ2       LYS1018  -3.315  23.392  -3.562
  811   3HZ   LYS1018          HZ3       LYS1018  -2.138  24.265  -2.702
  812    H    LYS1019           H        LYS1019   2.649  19.934  -7.053
  813    HA   LYS1019           HA       LYS1019   1.068  18.153  -8.607
  814   1HB   LYS1019          HB1       LYS1019   2.304  20.172  -9.472
  815   2HB   LYS1019          HB2       LYS1019   3.802  19.281  -9.269
  816   1HG   LYS1019          HG1       LYS1019   1.628  18.125 -10.951
  817   2HG   LYS1019          HG2       LYS1019   2.642  19.415 -11.595
  818   1HD   LYS1019          HD1       LYS1019   3.677  16.825 -10.442
  819   2HD   LYS1019          HD2       LYS1019   3.459  17.140 -12.163
  820   1HE   LYS1019          HE1       LYS1019   5.277  18.668 -10.296
  821   2HE   LYS1019          HE2       LYS1019   5.788  17.467 -11.481
  822   1HZ   LYS1019          HZ1       LYS1019   4.618  20.142 -11.991
  823   2HZ   LYS1019          HZ2       LYS1019   6.135  19.558 -12.462
  824   3HZ   LYS1019          HZ3       LYS1019   4.733  18.951 -13.197
  825    H    GLN1020           H        GLN1020   4.314  17.980  -7.235
  826    HA   GLN1020           HA       GLN1020   5.049  15.420  -7.964
  827   1HB   GLN1020          HB1       GLN1020   6.426  17.141  -6.783
  828   2HB   GLN1020          HB2       GLN1020   5.565  16.754  -5.302
  829   1HG   GLN1020          HG1       GLN1020   6.506  14.601  -5.201
  830   2HG   GLN1020          HG2       GLN1020   7.099  14.700  -6.860
  831   1HE2  GLN1020          2HE2      GLN1020   7.992  17.461  -6.541
  832   2HE2  GLN1020          1HE2      GLN1020   9.451  17.375  -5.610
  833    H    MET1021           H        MET1021   2.825  16.466  -5.446
  834    HA   MET1021           HA       MET1021   2.354  14.069  -4.111
  835   1HB   MET1021          HB1       MET1021   1.332  16.077  -3.318
  836   2HB   MET1021          HB2       MET1021   0.492  16.324  -4.840
  837   1HG   MET1021          HG1       MET1021  -0.748  14.175  -4.352
  838   2HG   MET1021          HG2       MET1021  -0.066  14.265  -2.730
  839   1HE   MET1021          HE1       MET1021  -3.013  17.312  -4.549
  840   2HE   MET1021          HE2       MET1021  -1.364  17.126  -5.149
  841   3HE   MET1021          HE3       MET1021  -2.520  15.805  -5.322
  842    H    LEU1022           H        LEU1022   0.927  15.303  -7.108
  843    HA   LEU1022           HA       LEU1022  -0.956  13.296  -7.556
  844   1HB   LEU1022          HB1       LEU1022  -0.776  15.401  -8.842
  845   2HB   LEU1022          HB2       LEU1022   0.669  14.785  -9.618
  846    HG   LEU1022           HG       LEU1022  -0.700  12.941 -10.595
  847   1HD1  LEU1022          1HD1      LEU1022  -2.501  12.920  -8.955
  848   2HD1  LEU1022          2HD1      LEU1022  -3.006  14.528  -9.474
  849   3HD1  LEU1022          3HD1      LEU1022  -3.133  13.163 -10.584
  850   1HD2  LEU1022          1HD2      LEU1022  -1.789  14.352 -12.276
  851   2HD2  LEU1022          2HD2      LEU1022  -1.587  15.754 -11.225
  852   3HD2  LEU1022          3HD2      LEU1022  -0.171  14.934 -11.884
  853    H    THR1023           H        THR1023   2.457  13.437  -8.483
  854    HA   THR1023           HA       THR1023   2.502  10.888  -9.746
  855    HB   THR1023           HB       THR1023   4.824  12.410  -8.544
  856    HG1  THR1023           HG1      THR1023   4.999  13.200 -10.779
  857   1HG2  THR1023          1HG2      THR1023   5.385  10.120  -9.136
  858   2HG2  THR1023          2HG2      THR1023   4.680  10.337 -10.739
  859   3HG2  THR1023          3HG2      THR1023   6.128  11.238 -10.284
  860    H    ALA1024           H        ALA1024   3.517  12.042  -6.558
  861    HA   ALA1024           HA       ALA1024   4.434   9.679  -5.445
  862   1HB   ALA1024          HB1       ALA1024   2.943  11.869  -4.001
  863   2HB   ALA1024          HB2       ALA1024   4.040  10.689  -3.281
  864   3HB   ALA1024          HB3       ALA1024   4.660  11.897  -4.407
  865    H    ALA1025           H        ALA1025   1.109  10.939  -5.446
  866    HA   ALA1025           HA       ALA1025  -0.029   8.825  -3.959
  867   1HB   ALA1025          HB1       ALA1025  -1.355  10.606  -6.004
  868   2HB   ALA1025          HB2       ALA1025  -2.178   9.620  -4.795
  869   3HB   ALA1025          HB3       ALA1025  -1.161  10.970  -4.290
  870    H    HIS1026           H        HIS1026   0.580   9.282  -7.381
  871    HA   HIS1026           HA       HIS1026  -0.801   6.984  -8.294
  872   1HB   HIS1026          HB1       HIS1026  -0.206   8.779  -9.831
  873   2HB   HIS1026          HB2       HIS1026   1.505   8.522  -9.515
  874    HD1  HIS1026           HD1      HIS1026   2.478   7.583 -11.581
  875    HD2  HIS1026           HD2      HIS1026  -1.223   5.887 -10.700
  876    HE1  HIS1026           HE1      HIS1026   2.095   5.826 -13.338
  877    HE2  HIS1026           HE2      HIS1026  -0.216   4.931 -12.888
  878    H    ALA1027           H        ALA1027   2.545   7.594  -7.317
  879    HA   ALA1027           HA       ALA1027   3.611   5.073  -7.944
  880   1HB   ALA1027          HB1       ALA1027   5.000   7.019  -7.444
  881   2HB   ALA1027          HB2       ALA1027   4.455   6.988  -5.766
  882   3HB   ALA1027          HB3       ALA1027   5.421   5.656  -6.406
  883    H    LEU1028           H        LEU1028   2.182   6.306  -4.960
  884    HA   LEU1028           HA       LEU1028   2.632   3.932  -3.456
  885   1HB   LEU1028          HB1       LEU1028   2.289   5.813  -2.132
  886   2HB   LEU1028          HB2       LEU1028   0.892   6.338  -3.047
  887    HG   LEU1028           HG       LEU1028   0.606   3.750  -1.638
  888   1HD1  LEU1028          1HD1      LEU1028   1.855   5.057   0.008
  889   2HD1  LEU1028          2HD1      LEU1028   0.687   6.370  -0.150
  890   3HD1  LEU1028          3HD1      LEU1028   0.181   4.814   0.511
  891   1HD2  LEU1028          1HD2      LEU1028  -1.617   4.631  -1.191
  892   2HD2  LEU1028          2HD2      LEU1028  -1.143   6.203  -1.837
  893   3HD2  LEU1028          3HD2      LEU1028  -1.224   4.800  -2.903
  894    H    ALA1029           H        ALA1029  -0.168   5.180  -5.216
  895    HA   ALA1029           HA       ALA1029  -1.900   3.081  -4.787
  896   1HB   ALA1029          HB1       ALA1029  -2.545   5.140  -5.949
  897   2HB   ALA1029          HB2       ALA1029  -1.584   4.657  -7.346
  898   3HB   ALA1029          HB3       ALA1029  -2.999   3.713  -6.880
  899    H    VAL1030           H        VAL1030   0.912   3.232  -6.828
  900    HA   VAL1030           HA       VAL1030   0.372   0.807  -8.257
  901    HB   VAL1030           HB       VAL1030   2.957   2.339  -7.922
  902   1HG1  VAL1030          1HG1      VAL1030   2.357   0.006  -9.739
  903   2HG1  VAL1030          2HG1      VAL1030   3.844   0.955  -9.726
  904   3HG1  VAL1030          3HG1      VAL1030   3.414  -0.031  -8.328
  905   1HG2  VAL1030          1HG2      VAL1030   2.562   3.009 -10.239
  906   2HG2  VAL1030          2HG2      VAL1030   1.047   2.103 -10.247
  907   3HG2  VAL1030          3HG2      VAL1030   1.232   3.508  -9.195
  908    H    ASP1031           H        ASP1031   2.522   1.610  -5.488
  909    HA   ASP1031           HA       ASP1031   3.455  -1.004  -5.122
  910   1HB   ASP1031          HB1       ASP1031   4.261  -0.382  -2.976
  911   2HB   ASP1031          HB2       ASP1031   4.434   1.023  -4.008
  912    H    ALA1032           H        ALA1032   0.607   0.577  -3.762
  913    HA   ALA1032           HA       ALA1032  -0.318  -1.604  -2.226
  914   1HB   ALA1032          HB1       ALA1032  -1.887   0.577  -3.595
  915   2HB   ALA1032          HB2       ALA1032  -2.512  -0.508  -2.354
  916   3HB   ALA1032          HB3       ALA1032  -1.224   0.634  -1.961
  917    H    LYS1033           H        LYS1033  -1.099  -0.586  -5.536
  918    HA   LYS1033           HA       LYS1033  -2.871  -2.656  -6.148
  919   1HB   LYS1033          HB1       LYS1033  -2.677  -0.656  -7.534
  920   2HB   LYS1033          HB2       LYS1033  -1.061  -1.136  -8.031
  921   1HG   LYS1033          HG1       LYS1033  -1.996  -3.132  -9.107
  922   2HG   LYS1033          HG2       LYS1033  -3.614  -2.614  -8.628
  923   1HD   LYS1033          HD1       LYS1033  -3.385  -0.595  -9.968
  924   2HD   LYS1033          HD2       LYS1033  -1.739  -1.058 -10.410
  925   1HE   LYS1033          HE1       LYS1033  -2.597  -3.057 -11.520
  926   2HE   LYS1033          HE2       LYS1033  -4.240  -2.611 -11.067
  927   1HZ   LYS1033          HZ1       LYS1033  -2.450  -1.022 -12.828
  928   2HZ   LYS1033          HZ2       LYS1033  -3.735  -1.992 -13.348
  929   3HZ   LYS1033          HZ3       LYS1033  -4.042  -0.618 -12.403
  930    H    ASN1034           H        ASN1034   0.644  -2.536  -6.427
  931    HA   ASN1034           HA       ASN1034   0.805  -5.021  -7.828
  932   1HB   ASN1034          HB1       ASN1034   2.586  -3.247  -7.880
  933   2HB   ASN1034          HB2       ASN1034   3.000  -3.696  -6.228
  934   1HD2  ASN1034          2HD2      ASN1034   4.138  -5.568  -5.859
  935   2HD2  ASN1034          1HD2      ASN1034   4.809  -6.532  -7.125
  936    H    LEU1035           H        LEU1035   1.602  -4.125  -4.455
  937    HA   LEU1035           HA       LEU1035   2.009  -6.711  -3.514
  938   1HB   LEU1035          HB1       LEU1035   2.613  -4.857  -2.127
  939   2HB   LEU1035          HB2       LEU1035   0.941  -4.292  -2.054
  940    HG   LEU1035           HG       LEU1035   0.411  -6.489  -0.869
  941   1HD1  LEU1035          1HD1      LEU1035   2.280  -7.588   0.246
  942   2HD1  LEU1035          2HD1      LEU1035   2.423  -7.691  -1.509
  943   3HD1  LEU1035          3HD1      LEU1035   3.408  -6.537  -0.611
  944   1HD2  LEU1035          1HD2      LEU1035   1.227  -5.655   1.296
  945   2HD2  LEU1035          2HD2      LEU1035   2.235  -4.487   0.441
  946   3HD2  LEU1035          3HD2      LEU1035   0.479  -4.391   0.318
  947    H    LEU1036           H        LEU1036  -1.124  -5.081  -4.016
  948    HA   LEU1036           HA       LEU1036  -2.665  -6.946  -2.584
  949   1HB   LEU1036          HB1       LEU1036  -4.590  -6.036  -3.548
  950   2HB   LEU1036          HB2       LEU1036  -3.463  -4.699  -3.498
  951    HG   LEU1036           HG       LEU1036  -3.007  -5.315  -5.995
  952   1HD1  LEU1036          1HD1      LEU1036  -5.764  -6.487  -5.631
  953   2HD1  LEU1036          2HD1      LEU1036  -4.900  -6.277  -7.154
  954   3HD1  LEU1036          3HD1      LEU1036  -4.301  -7.421  -5.953
  955   1HD2  LEU1036          1HD2      LEU1036  -4.850  -3.841  -6.661
  956   2HD2  LEU1036          2HD2      LEU1036  -5.581  -4.044  -5.070
  957   3HD2  LEU1036          3HD2      LEU1036  -4.019  -3.243  -5.225
  958    H    ASP1037           H        ASP1037  -1.537  -6.850  -5.819
  959    HA   ASP1037           HA       ASP1037  -2.636  -9.296  -6.732
  960   1HB   ASP1037          HB1       ASP1037  -1.827  -7.752  -8.373
  961   2HB   ASP1037          HB2       ASP1037  -0.245  -7.669  -7.611
  962    H    VAL1038           H        VAL1038   0.358  -8.376  -5.187
  963    HA   VAL1038           HA       VAL1038   1.694 -10.818  -5.178
  964    HB   VAL1038           HB       VAL1038   1.801  -8.527  -3.226
  965   1HG1  VAL1038          1HG1      VAL1038   3.743 -10.812  -3.512
  966   2HG1  VAL1038          2HG1      VAL1038   3.915  -9.418  -2.446
  967   3HG1  VAL1038          3HG1      VAL1038   2.620 -10.584  -2.171
  968   1HG2  VAL1038          1HG2      VAL1038   2.423  -7.923  -5.477
  969   2HG2  VAL1038          2HG2      VAL1038   3.859  -7.963  -4.452
  970   3HG2  VAL1038          3HG2      VAL1038   3.533  -9.290  -5.567
  971    H    ILE1039           H        ILE1039   0.069  -9.401  -2.332
  972    HA   ILE1039           HA       ILE1039   0.274 -11.836  -0.908
  973    HB   ILE1039           HB       ILE1039  -1.340 -10.611   0.747
  974   1HG1  ILE1039          1HG1      ILE1039  -1.050  -8.159   0.656
  975   2HG1  ILE1039          2HG1      ILE1039  -0.284  -8.317  -0.920
  976   1HG2  ILE1039          1HG2      ILE1039   1.485  -9.705   0.236
  977   2HG2  ILE1039          2HG2      ILE1039   0.606  -9.560   1.757
  978   3HG2  ILE1039          3HG2      ILE1039   1.008 -11.154   1.121
  979   1HD1  ILE1039          1HD1      ILE1039  -2.362  -9.204  -1.832
  980   2HD1  ILE1039          2HD1      ILE1039  -3.121  -9.033  -0.249
  981   3HD1  ILE1039          3HD1      ILE1039  -2.580  -7.602  -1.128
  982    H    ASP1040           H        ASP1040  -2.568 -10.345  -2.504
  983    HA   ASP1040           HA       ASP1040  -4.485 -12.241  -1.992
  984   1HB   ASP1040          HB1       ASP1040  -4.821 -10.395  -3.594
  985   2HB   ASP1040          HB2       ASP1040  -3.723 -11.163  -4.728
  986    H    GLN1041           H        GLN1041  -1.781 -12.436  -4.132
  987    HA   GLN1041           HA       GLN1041  -2.220 -15.216  -4.793
  988   1HB   GLN1041          HB1       GLN1041   0.032 -13.339  -5.467
  989   2HB   GLN1041          HB2       GLN1041   0.050 -15.047  -5.888
  990   1HG   GLN1041          HG1       GLN1041  -2.095 -13.117  -6.745
  991   2HG   GLN1041          HG2       GLN1041  -0.698 -13.558  -7.726
  992   1HE2  GLN1041          2HE2      GLN1041  -3.588 -13.965  -8.156
  993   2HE2  GLN1041          1HE2      GLN1041  -3.769 -15.666  -8.425
  994    H    ALA1042           H        ALA1042  -0.299 -13.416  -2.467
  995    HA   ALA1042           HA       ALA1042   1.425 -15.337  -1.570
  996   1HB   ALA1042          HB1       ALA1042   1.223 -14.322   0.649
  997   2HB   ALA1042          HB2       ALA1042   1.357 -13.108  -0.623
  998   3HB   ALA1042          HB3       ALA1042  -0.212 -13.451   0.110
  999    H    ARG1043           H        ARG1043  -1.899 -14.822  -0.401
 1000    HA   ARG1043           HA       ARG1043  -2.034 -17.118   1.171
 1001   1HB   ARG1043          HB1       ARG1043  -4.252 -15.692  -0.299
 1002   2HB   ARG1043          HB2       ARG1043  -4.502 -16.919   0.936
 1003   1HG   ARG1043          HG1       ARG1043  -3.143 -14.265   1.318
 1004   2HG   ARG1043          HG2       ARG1043  -4.768 -14.699   1.849
 1005   1HD   ARG1043          HD1       ARG1043  -2.323 -16.185   2.740
 1006   2HD   ARG1043          HD2       ARG1043  -2.929 -14.767   3.586
 1007    HE   ARG1043           HE       ARG1043  -5.090 -16.156   3.715
 1008   1HH1  ARG1043          2HH1      ARG1043  -1.857 -17.503   3.858
 1009   2HH1  ARG1043          1HH1      ARG1043  -2.325 -18.837   4.861
 1010   1HH2  ARG1043          2HH2      ARG1043  -5.702 -17.866   5.044
 1011   2HH2  ARG1043          1HH2      ARG1043  -4.521 -19.054   5.543
 1012    H    LEU1044           H        LEU1044  -2.531 -16.719  -2.304
 1013    HA   LEU1044           HA       LEU1044  -3.353 -19.456  -2.656
 1014   1HB   LEU1044          HB1       LEU1044  -4.082 -17.771  -4.238
 1015   2HB   LEU1044          HB2       LEU1044  -2.424 -17.410  -4.662
 1016    HG   LEU1044           HG       LEU1044  -2.172 -19.669  -5.615
 1017   1HD1  LEU1044          1HD1      LEU1044  -5.100 -19.950  -4.957
 1018   2HD1  LEU1044          2HD1      LEU1044  -4.161 -21.069  -5.946
 1019   3HD1  LEU1044          3HD1      LEU1044  -3.774 -20.861  -4.239
 1020   1HD2  LEU1044          1HD2      LEU1044  -2.844 -17.822  -7.057
 1021   2HD2  LEU1044          2HD2      LEU1044  -3.585 -19.338  -7.573
 1022   3HD2  LEU1044          3HD2      LEU1044  -4.539 -18.145  -6.690
 1023    H    LYS1045           H        LYS1045  -0.271 -17.749  -2.668
 1024    HA   LYS1045           HA       LYS1045   1.418 -19.720  -3.672
 1025   1HB   LYS1045          HB1       LYS1045   1.834 -17.860  -1.318
 1026   2HB   LYS1045          HB2       LYS1045   3.101 -18.854  -2.014
 1027   1HG   LYS1045          HG1       LYS1045   1.598 -16.686  -3.445
 1028   2HG   LYS1045          HG2       LYS1045   3.214 -16.547  -2.746
 1029   1HD   LYS1045          HD1       LYS1045   4.039 -18.263  -4.258
 1030   2HD   LYS1045          HD2       LYS1045   2.422 -18.478  -4.931
 1031   1HE   LYS1045          HE1       LYS1045   3.986 -15.907  -5.023
 1032   2HE   LYS1045          HE2       LYS1045   3.929 -17.082  -6.335
 1033   1HZ   LYS1045          HZ1       LYS1045   1.440 -16.769  -6.259
 1034   2HZ   LYS1045          HZ2       LYS1045   1.725 -15.422  -5.276
 1035   3HZ   LYS1045          HZ3       LYS1045   2.336 -15.456  -6.854
 1036    H    MET1046           H        MET1046   0.065 -19.263  -0.479
 1037    HA   MET1046           HA       MET1046   1.297 -21.516   0.729
 1038   1HB   MET1046          HB1       MET1046   0.256 -19.602   1.967
 1039   2HB   MET1046          HB2       MET1046  -1.321 -20.232   1.511
 1040   1HG   MET1046          HG1       MET1046  -0.877 -22.283   2.724
 1041   2HG   MET1046          HG2       MET1046   0.736 -21.700   3.138
 1042   1HE   MET1046          HE1       MET1046   0.308 -22.144   5.714
 1043   2HE   MET1046          HE2       MET1046  -1.114 -21.569   6.583
 1044   3HE   MET1046          HE3       MET1046  -1.286 -22.783   5.314
 1045    H    ILE1047           H        ILE1047  -1.780 -21.027  -0.916
 1046    HA   ILE1047           HA       ILE1047  -2.761 -23.661  -0.595
 1047    HB   ILE1047           HB       ILE1047  -3.351 -21.700  -2.819
 1048   1HG1  ILE1047          1HG1      ILE1047  -3.884 -20.730  -0.661
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.377 -21.171  -1.484
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.419 -22.980  -3.128
 1051   2HG2  ILE1047          2HG2      ILE1047  -3.990 -23.973  -3.414
 1052   3HG2  ILE1047          3HG2      ILE1047  -4.884 -24.131  -1.903
 1053   1HD1  ILE1047          1HD1      ILE1047  -4.041 -22.736   0.716
 1054   2HD1  ILE1047          2HD1      ILE1047  -5.476 -21.724   0.876
 1055   3HD1  ILE1047          3HD1      ILE1047  -5.535 -23.184  -0.110
 1056    H    SER1048           H        SER1048  -0.676 -22.106  -2.936
 1057    HA   SER1048           HA       SER1048  -0.531 -24.100  -4.882
 1058   1HB   SER1048          HB1       SER1048   0.329 -21.802  -5.192
 1059   2HB   SER1048          HB2       SER1048   1.613 -22.119  -4.024
 1060    HG   SER1048           HG       SER1048   1.333 -23.845  -6.230
 1061    H    GLN1049           H        GLN1049   1.659 -23.483  -2.133
 1062    HA   GLN1049           HA       GLN1049   3.241 -25.793  -2.618
 1063   1HB   GLN1049          HB1       GLN1049   4.057 -23.807  -1.379
 1064   2HB   GLN1049          HB2       GLN1049   2.958 -24.204  -0.063
 1065   1HG   GLN1049          HG1       GLN1049   4.142 -26.441   0.056
 1066   2HG   GLN1049          HG2       GLN1049   5.360 -25.734  -1.002
 1067   1HE2  GLN1049          2HE2      GLN1049   6.972 -25.870   0.502
 1068   2HE2  GLN1049          1HE2      GLN1049   7.021 -24.881   1.927
 1069    H    SER1050           H        SER1050   0.587 -25.078  -0.405
 1070    HA   SER1050           HA       SER1050   0.722 -27.779   0.683
 1071   1HB   SER1050          HB1       SER1050  -0.988 -25.413   1.485
 1072   2HB   SER1050          HB2       SER1050  -0.879 -26.945   2.353
 1073    HG   SER1050           HG       SER1050   1.468 -26.459   2.441
 1074    H    ARG1051           H        ARG1051  -0.327 -27.007  -2.083
 1075    HA   ARG1051           HA       ARG1051  -3.079 -27.462  -2.186
 1076   1HB   ARG1051          HB1       ARG1051  -1.571 -26.720  -4.098
 1077   2HB   ARG1051          HB2       ARG1051  -1.141 -28.415  -4.295
 1078   1HG   ARG1051          HG1       ARG1051  -3.485 -28.967  -4.696
 1079   2HG   ARG1051          HG2       ARG1051  -3.918 -27.269  -4.499
 1080   1HD   ARG1051          HD1       ARG1051  -2.352 -26.761  -6.400
 1081   2HD   ARG1051          HD2       ARG1051  -2.221 -28.501  -6.658
 1082    HE   ARG1051           HE       ARG1051  -4.938 -27.594  -6.593
 1083   1HH1  ARG1051          2HH1      ARG1051  -2.128 -27.961  -8.665
 1084   2HH1  ARG1051          1HH1      ARG1051  -3.066 -27.960 -10.130
 1085   1HH2  ARG1051          2HH2      ARG1051  -6.149 -27.581  -8.499
 1086   2HH2  ARG1051          1HH2      ARG1051  -5.348 -27.709 -10.040
 1087    HA   PRO1052           HA       PRO1052  -2.179 -32.185  -2.249
 1088   1HB   PRO1052          HB1       PRO1052   0.609 -32.482  -1.420
 1089   2HB   PRO1052          HB2       PRO1052  -0.225 -33.204  -2.797
 1090   1HG   PRO1052          HG1       PRO1052   1.667 -31.294  -3.087
 1091   2HG   PRO1052          HG2       PRO1052   0.293 -31.455  -4.198
 1092   1HD   PRO1052          HD1       PRO1052   0.681 -29.540  -1.924
 1093   2HD   PRO1052          HD2       PRO1052   0.013 -29.245  -3.545
 1094    H    HIS1053           H        HIS1053   0.481 -31.330  -0.077
 1095    HA   HIS1053           HA       HIS1053  -1.074 -30.823   2.205
 1096   1HB   HIS1053          HB1       HIS1053  -0.529 -32.869   3.529
 1097   2HB   HIS1053          HB2       HIS1053  -1.663 -33.161   2.219
 1098    HD1  HIS1053           HD1      HIS1053  -0.798 -34.596   0.198
 1099    HD2  HIS1053           HD2      HIS1053   1.854 -34.275   3.393
 1100    HE1  HIS1053           HE1      HIS1053   0.940 -36.373  -0.177
 1101    HE2  HIS1053           HE2      HIS1053   2.443 -36.266   1.841
  Start of MODEL   21
    1   1H    ARG 920           H        ARG 920  -8.260 -19.632  -3.526
    2    HA   ARG 920           HA       ARG 920  -8.769 -19.946  -0.785
    3   1HB   ARG 920          HB1       ARG 920  -6.623 -19.180  -1.555
    4   2HB   ARG 920          HB2       ARG 920  -7.344 -17.734  -2.253
    5   1HG   ARG 920          HG1       ARG 920  -6.219 -17.291  -0.116
    6   2HG   ARG 920          HG2       ARG 920  -7.955 -16.921  -0.067
    7   1HD   ARG 920          HD1       ARG 920  -8.292 -19.228   0.899
    8   2HD   ARG 920          HD2       ARG 920  -6.545 -19.372   1.008
    9    HE   ARG 920           HE       ARG 920  -7.531 -17.065   2.382
   10   1HH1  ARG 920          2HH1      ARG 920  -7.140 -20.525   2.579
   11   2HH1  ARG 920          1HH1      ARG 920  -7.065 -20.569   4.315
   12   1HH2  ARG 920          2HH2      ARG 920  -7.492 -17.092   4.693
   13   2HH2  ARG 920          1HH2      ARG 920  -7.253 -18.613   5.520
   14    H    SER 921           H        SER 921  -9.961 -17.477  -3.038
   15    HA   SER 921           HA       SER 921 -11.147 -15.569  -2.747
   16   1HB   SER 921          HB1       SER 921 -11.884 -16.746  -0.048
   17   2HB   SER 921          HB2       SER 921 -12.599 -15.293  -0.747
   18    HG   SER 921           HG       SER 921 -13.686 -16.471  -2.156
   19    H    ASN 922           H        ASN 922  -9.834 -13.945  -2.694
   20    HA   ASN 922           HA       ASN 922  -7.425 -13.922  -1.488
   21   1HB   ASN 922          HB1       ASN 922  -8.175 -11.236  -2.143
   22   2HB   ASN 922          HB2       ASN 922  -7.042 -12.312  -2.964
   23   1HD2  ASN 922          2HD2      ASN 922  -7.995 -13.968  -4.320
   24   2HD2  ASN 922          1HD2      ASN 922  -9.427 -13.611  -5.212
   25    H    ASP 923           H        ASP 923  -7.530 -14.265   0.577
   26    HA   ASP 923           HA       ASP 923  -9.001 -13.227   2.583
   27   1HB   ASP 923          HB1       ASP 923  -7.092 -15.073   2.427
   28   2HB   ASP 923          HB2       ASP 923  -6.128 -13.780   3.140
   29    H    LYS 924           H        LYS 924  -7.651 -12.184   4.533
   30    HA   LYS 924           HA       LYS 924  -7.861  -9.482   4.374
   31   1HB   LYS 924          HB1       LYS 924  -7.377 -11.060   6.377
   32   2HB   LYS 924          HB2       LYS 924  -5.689 -10.717   6.045
   33   1HG   LYS 924          HG1       LYS 924  -7.619  -8.472   6.441
   34   2HG   LYS 924          HG2       LYS 924  -6.977  -9.346   7.831
   35   1HD   LYS 924          HD1       LYS 924  -4.686  -8.831   7.040
   36   2HD   LYS 924          HD2       LYS 924  -5.381  -7.881   5.726
   37   1HE   LYS 924          HE1       LYS 924  -4.751  -6.390   7.492
   38   2HE   LYS 924          HE2       LYS 924  -6.512  -6.465   7.420
   39   1HZ   LYS 924          HZ1       LYS 924  -5.677  -6.552   9.699
   40   2HZ   LYS 924          HZ2       LYS 924  -6.503  -7.976   9.295
   41   3HZ   LYS 924          HZ3       LYS 924  -4.808  -7.966   9.345
   42    H    VAL 925           H        VAL 925  -5.240 -11.391   3.169
   43    HA   VAL 925           HA       VAL 925  -3.268  -9.499   2.761
   44    HB   VAL 925           HB       VAL 925  -2.779 -10.895   0.617
   45   1HG1  VAL 925          1HG1      VAL 925  -2.775 -12.151   3.374
   46   2HG1  VAL 925          2HG1      VAL 925  -1.811 -12.699   2.003
   47   3HG1  VAL 925          3HG1      VAL 925  -1.524 -11.105   2.703
   48   1HG2  VAL 925          1HG2      VAL 925  -4.849 -12.635   1.965
   49   2HG2  VAL 925          2HG2      VAL 925  -5.000 -11.867   0.385
   50   3HG2  VAL 925          3HG2      VAL 925  -3.793 -13.126   0.642
   51    H    TYR 926           H        TYR 926  -6.031 -10.312   0.471
   52    HA   TYR 926           HA       TYR 926  -4.992  -8.293  -1.353
   53   1HB   TYR 926          HB1       TYR 926  -6.172 -10.001  -2.458
   54   2HB   TYR 926          HB2       TYR 926  -7.475 -10.012  -1.274
   55    HD1  TYR 926           HD1      TYR 926  -6.019  -8.074  -4.081
   56    HD2  TYR 926           HD2      TYR 926  -9.391  -8.674  -1.556
   57    HE1  TYR 926           HE1      TYR 926  -7.346  -6.572  -5.511
   58    HE2  TYR 926           HE2      TYR 926 -10.731  -7.177  -2.978
   59    HH   TYR 926           HH       TYR 926 -10.327  -5.292  -4.550
   60    H    GLU 927           H        GLU 927  -7.342  -8.658   1.122
   61    HA   GLU 927           HA       GLU 927  -8.997  -6.472   0.758
   62   1HB   GLU 927          HB1       GLU 927  -8.217  -8.182   3.082
   63   2HB   GLU 927          HB2       GLU 927  -9.291  -6.816   3.328
   64   1HG   GLU 927          HG1       GLU 927  -9.770  -9.047   1.364
   65   2HG   GLU 927          HG2       GLU 927 -10.469  -8.964   2.979
   66    H    ASN 928           H        ASN 928  -6.190  -6.725   2.973
   67    HA   ASN 928           HA       ASN 928  -6.624  -4.051   3.879
   68   1HB   ASN 928          HB1       ASN 928  -5.631  -5.913   5.257
   69   2HB   ASN 928          HB2       ASN 928  -4.145  -5.697   4.336
   70   1HD2  ASN 928          2HD2      ASN 928  -6.354  -3.147   5.335
   71   2HD2  ASN 928          1HD2      ASN 928  -5.237  -2.363   6.397
   72    H    VAL 929           H        VAL 929  -4.289  -5.526   1.616
   73    HA   VAL 929           HA       VAL 929  -2.806  -3.198   1.167
   74    HB   VAL 929           HB       VAL 929  -3.430  -5.105  -1.087
   75   1HG1  VAL 929          1HG1      VAL 929  -2.139  -3.077  -1.578
   76   2HG1  VAL 929          2HG1      VAL 929  -0.973  -3.522  -0.334
   77   3HG1  VAL 929          3HG1      VAL 929  -1.161  -4.534  -1.765
   78   1HG2  VAL 929          1HG2      VAL 929  -2.885  -6.427   0.909
   79   2HG2  VAL 929          2HG2      VAL 929  -1.627  -6.525  -0.324
   80   3HG2  VAL 929          3HG2      VAL 929  -1.395  -5.505   1.097
   81    H    THR 930           H        THR 930  -5.880  -4.248  -0.217
   82    HA   THR 930           HA       THR 930  -6.214  -2.002  -1.920
   83    HB   THR 930           HB       THR 930  -8.378  -3.631  -0.556
   84    HG1  THR 930           HG1      THR 930  -7.249  -5.078  -1.766
   85   1HG2  THR 930          1HG2      THR 930  -9.778  -2.915  -2.431
   86   2HG2  THR 930          2HG2      THR 930  -9.178  -1.523  -1.530
   87   3HG2  THR 930          3HG2      THR 930  -8.443  -1.958  -3.074
   88    H    GLY 931           H        GLY 931  -6.990  -2.702   1.435
   89   1HA   GLY 931          HA1       GLY 931  -8.235  -0.327   2.185
   90   2HA   GLY 931          HA2       GLY 931  -7.261  -1.326   3.253
   91    H    LEU 932           H        LEU 932  -4.788  -0.975   1.697
   92    HA   LEU 932           HA       LEU 932  -3.787   1.423   2.764
   93   1HB   LEU 932          HB1       LEU 932  -2.241  -0.290   2.244
   94   2HB   LEU 932          HB2       LEU 932  -2.837  -0.445   0.601
   95    HG   LEU 932           HG       LEU 932  -1.791   1.676  -0.003
   96   1HD1  LEU 932          1HD1      LEU 932  -0.333   2.848   1.556
   97   2HD1  LEU 932          2HD1      LEU 932  -2.002   2.834   2.128
   98   3HD1  LEU 932          3HD1      LEU 932  -0.814   1.743   2.844
   99   1HD2  LEU 932          1HD2      LEU 932  -0.489  -0.361  -0.218
  100   2HD2  LEU 932          2HD2      LEU 932   0.550   0.987   0.243
  101   3HD2  LEU 932          3HD2      LEU 932   0.063  -0.203   1.449
  102    H    VAL 933           H        VAL 933  -5.061   0.606  -0.429
  103    HA   VAL 933           HA       VAL 933  -4.806   3.186  -1.565
  104    HB   VAL 933           HB       VAL 933  -6.889   1.085  -2.197
  105   1HG1  VAL 933          1HG1      VAL 933  -5.852   3.397  -3.836
  106   2HG1  VAL 933          2HG1      VAL 933  -6.972   2.156  -4.405
  107   3HG1  VAL 933          3HG1      VAL 933  -7.460   3.261  -3.120
  108   1HG2  VAL 933          1HG2      VAL 933  -4.152   1.513  -3.389
  109   2HG2  VAL 933          2HG2      VAL 933  -4.644   0.166  -2.365
  110   3HG2  VAL 933          3HG2      VAL 933  -5.355   0.360  -3.967
  111    H    LYS 934           H        LYS 934  -7.406   1.662   0.311
  112    HA   LYS 934           HA       LYS 934  -9.291   3.729   0.121
  113   1HB   LYS 934          HB1       LYS 934  -8.836   1.512   2.069
  114   2HB   LYS 934          HB2       LYS 934  -9.968   2.785   2.498
  115   1HG   LYS 934          HG1       LYS 934 -11.212   0.997   1.558
  116   2HG   LYS 934          HG2       LYS 934 -11.195   2.304   0.376
  117   1HD   LYS 934          HD1       LYS 934  -9.061   0.262   0.160
  118   2HD   LYS 934          HD2       LYS 934 -10.698  -0.245  -0.255
  119   1HE   LYS 934          HE1       LYS 934  -9.424   2.227  -1.403
  120   2HE   LYS 934          HE2       LYS 934  -9.256   0.635  -2.150
  121   1HZ   LYS 934          HZ1       LYS 934 -11.072   1.757  -3.181
  122   2HZ   LYS 934          HZ2       LYS 934 -11.718   0.525  -2.216
  123   3HZ   LYS 934          HZ3       LYS 934 -11.784   2.132  -1.684
  124    H    ALA 935           H        ALA 935  -6.528   3.312   2.239
  125    HA   ALA 935           HA       ALA 935  -7.252   5.542   3.904
  126   1HB   ALA 935          HB1       ALA 935  -6.020   3.683   4.845
  127   2HB   ALA 935          HB2       ALA 935  -4.674   4.000   3.751
  128   3HB   ALA 935          HB3       ALA 935  -5.101   5.179   4.990
  129    H    VAL 936           H        VAL 936  -5.246   5.070   1.039
  130    HA   VAL 936           HA       VAL 936  -4.249   7.756   1.218
  131    HB   VAL 936           HB       VAL 936  -3.033   5.959  -0.038
  132   1HG1  VAL 936          1HG1      VAL 936  -3.668   5.475  -2.335
  133   2HG1  VAL 936          2HG1      VAL 936  -4.935   4.974  -1.217
  134   3HG1  VAL 936          3HG1      VAL 936  -5.122   6.455  -2.156
  135   1HG2  VAL 936          1HG2      VAL 936  -3.666   8.486  -1.550
  136   2HG2  VAL 936          2HG2      VAL 936  -2.439   8.283  -0.300
  137   3HG2  VAL 936          3HG2      VAL 936  -2.277   7.439  -1.839
  138    H    ILE 937           H        ILE 937  -7.141   6.233   0.178
  139    HA   ILE 937           HA       ILE 937  -8.231   8.424  -1.250
  140    HB   ILE 937           HB       ILE 937  -9.646   6.346   0.440
  141   1HG1  ILE 937          1HG1      ILE 937  -9.200   6.570  -2.548
  142   2HG1  ILE 937          2HG1      ILE 937  -8.487   5.373  -1.468
  143   1HG2  ILE 937          1HG2      ILE 937 -11.690   7.029  -0.730
  144   2HG2  ILE 937          2HG2      ILE 937 -11.016   8.345   0.231
  145   3HG2  ILE 937          3HG2      ILE 937 -10.798   8.331  -1.519
  146   1HD1  ILE 937          1HD1      ILE 937 -10.678   4.423  -1.051
  147   2HD1  ILE 937          2HD1      ILE 937 -11.419   5.640  -2.089
  148   3HD1  ILE 937          3HD1      ILE 937 -10.317   4.446  -2.777
  149    H    GLU 938           H        GLU 938  -8.089   7.557   2.177
  150    HA   GLU 938           HA       GLU 938  -9.372   9.689   3.355
  151   1HB   GLU 938          HB1       GLU 938  -6.869   8.246   4.210
  152   2HB   GLU 938          HB2       GLU 938  -7.595   9.512   5.189
  153   1HG   GLU 938          HG1       GLU 938  -8.893   6.921   4.365
  154   2HG   GLU 938          HG2       GLU 938  -8.299   7.342   5.973
  155    H    MET 939           H        MET 939  -6.142   9.615   1.945
  156    HA   MET 939           HA       MET 939  -5.343  12.164   2.853
  157   1HB   MET 939          HB1       MET 939  -3.441  11.831   1.678
  158   2HB   MET 939          HB2       MET 939  -4.060  10.202   1.473
  159   1HG   MET 939          HG1       MET 939  -4.876  10.707  -0.708
  160   2HG   MET 939          HG2       MET 939  -4.535  12.423  -0.499
  161   1HE   MET 939          HE1       MET 939  -3.374  12.222  -2.937
  162   2HE   MET 939          HE2       MET 939  -2.029  11.133  -3.279
  163   3HE   MET 939          HE3       MET 939  -3.636  10.479  -2.963
  164    H    SER 940           H        SER 940  -7.113  11.120  -0.015
  165    HA   SER 940           HA       SER 940  -7.292  13.743  -1.144
  166   1HB   SER 940          HB1       SER 940  -7.480  11.605  -2.455
  167   2HB   SER 940          HB2       SER 940  -9.057  11.351  -1.710
  168    HG   SER 940           HG       SER 940  -9.826  12.571  -3.224
  169    H    SER 941           H        SER 941  -9.147  11.880   1.140
  170    HA   SER 941           HA       SER 941 -11.570  13.375   0.875
  171   1HB   SER 941          HB1       SER 941 -11.540  11.068   1.737
  172   2HB   SER 941          HB2       SER 941 -10.581  11.591   3.119
  173    HG   SER 941           HG       SER 941 -12.523  11.723   3.966
  174    H    LYS 942           H        LYS 942  -8.949  13.312   3.254
  175    HA   LYS 942           HA       LYS 942 -10.138  15.453   4.757
  176   1HB   LYS 942          HB1       LYS 942  -8.525  15.007   6.393
  177   2HB   LYS 942          HB2       LYS 942  -8.866  13.439   5.684
  178   1HG   LYS 942          HG1       LYS 942  -6.637  13.266   5.662
  179   2HG   LYS 942          HG2       LYS 942  -6.779  14.205   4.169
  180   1HD   LYS 942          HD1       LYS 942  -5.224  15.451   5.307
  181   2HD   LYS 942          HD2       LYS 942  -6.721  16.242   5.811
  182   1HE   LYS 942          HE1       LYS 942  -5.143  14.185   7.357
  183   2HE   LYS 942          HE2       LYS 942  -5.286  15.898   7.729
  184   1HZ   LYS 942          HZ1       LYS 942  -7.630  15.586   8.184
  185   2HZ   LYS 942          HZ2       LYS 942  -7.524  13.947   7.771
  186   3HZ   LYS 942          HZ3       LYS 942  -6.705  14.526   9.132
  187    H    ILE 943           H        ILE 943  -8.073  15.294   2.068
  188    HA   ILE 943           HA       ILE 943  -6.776  17.833   2.528
  189    HB   ILE 943           HB       ILE 943  -5.979  15.877   0.982
  190   1HG1  ILE 943          1HG1      ILE 943  -4.941  18.200   1.264
  191   2HG1  ILE 943          2HG1      ILE 943  -4.551  17.320  -0.205
  192   1HG2  ILE 943          1HG2      ILE 943  -6.568  16.174  -1.388
  193   2HG2  ILE 943          2HG2      ILE 943  -7.941  15.681  -0.395
  194   3HG2  ILE 943          3HG2      ILE 943  -7.783  17.359  -0.915
  195   1HD1  ILE 943          1HD1      ILE 943  -6.579  19.532   0.029
  196   2HD1  ILE 943          2HD1      ILE 943  -4.955  19.676  -0.644
  197   3HD1  ILE 943          3HD1      ILE 943  -6.155  18.663  -1.447
  198    H    GLN 944           H        GLN 944  -9.739  16.663   1.178
  199    HA   GLN 944           HA       GLN 944 -10.443  18.855  -0.396
  200   1HB   GLN 944          HB1       GLN 944 -12.130  16.824   1.043
  201   2HB   GLN 944          HB2       GLN 944 -12.817  18.063  -0.001
  202   1HG   GLN 944          HG1       GLN 944 -11.542  17.219  -1.882
  203   2HG   GLN 944          HG2       GLN 944 -10.778  16.018  -0.843
  204   1HE2  GLN 944          2HE2      GLN 944 -11.521  14.296  -2.028
  205   2HE2  GLN 944          1HE2      GLN 944 -13.181  13.814  -2.041
  206    HA   PRO 945           HA       PRO 945 -12.522  21.019   3.166
  207   1HB   PRO 945          HB1       PRO 945 -12.962  19.913   5.556
  208   2HB   PRO 945          HB2       PRO 945 -13.891  19.440   4.129
  209   1HG   PRO 945          HG1       PRO 945 -11.779  17.963   5.571
  210   2HG   PRO 945          HG2       PRO 945 -13.095  17.347   4.560
  211   1HD   PRO 945          HD1       PRO 945 -10.345  17.800   3.831
  212   2HD   PRO 945          HD2       PRO 945 -11.653  17.140   2.830
  213    H    ALA 946           H        ALA 946  -9.382  20.364   3.345
  214    HA   ALA 946           HA       ALA 946  -8.990  21.986   5.779
  215   1HB   ALA 946          HB1       ALA 946  -7.064  20.631   6.381
  216   2HB   ALA 946          HB2       ALA 946  -8.515  19.636   6.266
  217   3HB   ALA 946          HB3       ALA 946  -7.322  19.610   4.968
  218    HA   PRO 947           HA       PRO 947  -5.723  24.014   3.320
  219   1HB   PRO 947          HB1       PRO 947  -4.314  24.978   5.569
  220   2HB   PRO 947          HB2       PRO 947  -5.605  25.809   4.704
  221   1HG   PRO 947          HG1       PRO 947  -5.715  24.858   7.340
  222   2HG   PRO 947          HG2       PRO 947  -7.088  25.402   6.363
  223   1HD   PRO 947          HD1       PRO 947  -6.133  22.635   6.927
  224   2HD   PRO 947          HD2       PRO 947  -7.787  23.237   6.689
  225    HA   PRO 948           HA       PRO 948  -2.175  21.707   2.515
  226   1HB   PRO 948          HB1       PRO 948   0.001  23.279   3.397
  227   2HB   PRO 948          HB2       PRO 948  -0.728  23.270   1.791
  228   1HG   PRO 948          HG1       PRO 948  -1.191  25.119   4.075
  229   2HG   PRO 948          HG2       PRO 948  -1.202  25.453   2.334
  230   1HD   PRO 948          HD1       PRO 948  -3.476  25.321   3.698
  231   2HD   PRO 948          HD2       PRO 948  -3.362  24.623   2.067
  232    H    GLU 949           H        GLU 949  -1.973  22.998   5.769
  233    HA   GLU 949           HA       GLU 949  -0.275  21.240   7.018
  234   1HB   GLU 949          HB1       GLU 949  -2.758  22.650   7.906
  235   2HB   GLU 949          HB2       GLU 949  -1.991  21.488   8.979
  236   1HG   GLU 949          HG1       GLU 949  -0.582  23.847   7.758
  237   2HG   GLU 949          HG2       GLU 949  -1.307  23.840   9.367
  238    H    GLU 950           H        GLU 950  -2.682  20.241   5.100
  239    HA   GLU 950           HA       GLU 950  -3.301  17.886   6.736
  240   1HB   GLU 950          HB1       GLU 950  -5.327  17.595   5.736
  241   2HB   GLU 950          HB2       GLU 950  -5.231  19.352   5.727
  242   1HG   GLU 950          HG1       GLU 950  -4.476  17.622   3.382
  243   2HG   GLU 950          HG2       GLU 950  -6.091  18.270   3.631
  244    H    TYR 951           H        TYR 951  -1.929  19.076   3.756
  245    HA   TYR 951           HA       TYR 951  -1.563  16.821   2.247
  246   1HB   TYR 951          HB1       TYR 951   0.590  18.832   2.957
  247   2HB   TYR 951          HB2       TYR 951   0.714  17.648   1.670
  248    HD1  TYR 951           HD1      TYR 951   0.977  20.690   1.577
  249    HD2  TYR 951           HD2      TYR 951  -2.253  18.058   0.739
  250    HE1  TYR 951           HE1      TYR 951   0.067  22.338   0.024
  251    HE2  TYR 951           HE2      TYR 951  -3.187  19.707  -0.832
  252    HH   TYR 951           HH       TYR 951  -3.079  22.159  -1.209
  253    H    VAL 952           H        VAL 952   0.135  17.833   5.161
  254    HA   VAL 952           HA       VAL 952   1.692  15.427   5.120
  255    HB   VAL 952           HB       VAL 952   2.959  16.968   6.141
  256   1HG1  VAL 952          1HG1      VAL 952   1.356  18.751   6.343
  257   2HG1  VAL 952          2HG1      VAL 952   0.585  17.958   7.719
  258   3HG1  VAL 952          3HG1      VAL 952   2.231  18.573   7.862
  259   1HG2  VAL 952          1HG2      VAL 952   2.959  15.011   7.564
  260   2HG2  VAL 952          2HG2      VAL 952   3.169  16.466   8.536
  261   3HG2  VAL 952          3HG2      VAL 952   1.605  15.651   8.496
  262    HA   PRO 953           HA       PRO 953  -1.130  13.689   8.650
  263   1HB   PRO 953          HB1       PRO 953  -3.590  15.303   8.383
  264   2HB   PRO 953          HB2       PRO 953  -2.780  14.703   9.837
  265   1HG   PRO 953          HG1       PRO 953  -2.640  17.274   9.182
  266   2HG   PRO 953          HG2       PRO 953  -1.227  16.428   9.845
  267   1HD   PRO 953          HD1       PRO 953  -1.850  17.127   6.992
  268   2HD   PRO 953          HD2       PRO 953  -0.320  17.284   7.877
  269    H    MET 954           H        MET 954  -2.365  14.777   5.545
  270    HA   MET 954           HA       MET 954  -4.352  12.741   5.345
  271   1HB   MET 954          HB1       MET 954  -4.575  13.309   3.042
  272   2HB   MET 954          HB2       MET 954  -4.274  14.814   3.892
  273   1HG   MET 954          HG1       MET 954  -2.014  14.874   3.122
  274   2HG   MET 954          HG2       MET 954  -2.154  13.260   2.432
  275   1HE   MET 954          HE1       MET 954  -1.177  14.155   0.133
  276   2HE   MET 954          HE2       MET 954  -1.838  15.535  -0.743
  277   3HE   MET 954          HE3       MET 954  -1.039  15.780   0.810
  278    H    VAL 955           H        VAL 955  -1.014  13.066   4.190
  279    HA   VAL 955           HA       VAL 955  -0.770  10.388   3.361
  280    HB   VAL 955           HB       VAL 955   1.368  12.331   4.240
  281   1HG1  VAL 955          1HG1      VAL 955   2.160  10.032   4.501
  282   2HG1  VAL 955          2HG1      VAL 955   1.680   9.675   2.842
  283   3HG1  VAL 955          3HG1      VAL 955   2.967  10.840   3.157
  284   1HG2  VAL 955          1HG2      VAL 955   0.402  11.454   1.520
  285   2HG2  VAL 955          2HG2      VAL 955   0.121  13.023   2.273
  286   3HG2  VAL 955          3HG2      VAL 955   1.758  12.541   1.823
  287    H    LYS 956           H        LYS 956  -0.525  11.913   6.488
  288    HA   LYS 956           HA       LYS 956   0.604   9.875   8.017
  289   1HB   LYS 956          HB1       LYS 956  -0.020  11.896   9.117
  290   2HB   LYS 956          HB2       LYS 956  -1.677  11.770   8.547
  291   1HG   LYS 956          HG1       LYS 956  -1.767  11.275  10.820
  292   2HG   LYS 956          HG2       LYS 956  -1.883   9.719  10.003
  293   1HD   LYS 956          HD1       LYS 956   0.419   9.236  10.484
  294   2HD   LYS 956          HD2       LYS 956   0.663  10.856  11.145
  295   1HE   LYS 956          HE1       LYS 956  -1.172   8.735  12.257
  296   2HE   LYS 956          HE2       LYS 956   0.379   9.225  12.935
  297   1HZ   LYS 956          HZ1       LYS 956  -1.896  11.099  12.583
  298   2HZ   LYS 956          HZ2       LYS 956  -1.627  10.231  14.013
  299   3HZ   LYS 956          HZ3       LYS 956  -0.476  11.350  13.471
  300    H    GLU 957           H        GLU 957  -2.694  10.311   6.927
  301    HA   GLU 957           HA       GLU 957  -3.856   8.025   7.905
  302   1HB   GLU 957          HB1       GLU 957  -4.471   9.422   5.296
  303   2HB   GLU 957          HB2       GLU 957  -5.525   8.260   6.093
  304   1HG   GLU 957          HG1       GLU 957  -4.628  10.882   7.269
  305   2HG   GLU 957          HG2       GLU 957  -6.187  10.585   6.504
  306    H    VAL 958           H        VAL 958  -2.173   8.384   4.760
  307    HA   VAL 958           HA       VAL 958  -2.594   5.598   4.163
  308    HB   VAL 958           HB       VAL 958  -2.519   7.396   2.412
  309   1HG1  VAL 958          1HG1      VAL 958  -0.504   8.544   3.302
  310   2HG1  VAL 958          2HG1      VAL 958   0.464   7.188   2.733
  311   3HG1  VAL 958          3HG1      VAL 958  -0.422   8.182   1.579
  312   1HG2  VAL 958          1HG2      VAL 958  -2.422   5.068   1.806
  313   2HG2  VAL 958          2HG2      VAL 958  -1.331   5.992   0.773
  314   3HG2  VAL 958          3HG2      VAL 958  -0.684   5.030   2.101
  315    H    GLY 959           H        GLY 959  -0.087   7.415   5.747
  316   1HA   GLY 959          HA1       GLY 959   2.035   5.582   5.239
  317   2HA   GLY 959          HA2       GLY 959   1.990   6.775   6.531
  318    H    LEU 960           H        LEU 960  -0.054   6.022   8.088
  319    HA   LEU 960           HA       LEU 960   0.672   3.614   9.338
  320   1HB   LEU 960          HB1       LEU 960  -1.935   5.132   9.440
  321   2HB   LEU 960          HB2       LEU 960  -1.525   3.804  10.509
  322    HG   LEU 960           HG       LEU 960  -0.089   6.456  10.350
  323   1HD1  LEU 960          1HD1      LEU 960  -1.892   5.285  12.462
  324   2HD1  LEU 960          2HD1      LEU 960  -0.990   6.794  12.601
  325   3HD1  LEU 960          3HD1      LEU 960  -2.269   6.639  11.394
  326   1HD2  LEU 960          1HD2      LEU 960   1.162   5.662  12.300
  327   2HD2  LEU 960          2HD2      LEU 960   0.366   4.093  12.168
  328   3HD2  LEU 960          3HD2      LEU 960   1.447   4.642  10.889
  329    H    ALA 961           H        ALA 961  -1.407   4.276   6.671
  330    HA   ALA 961           HA       ALA 961  -2.849   1.875   6.586
  331   1HB   ALA 961          HB1       ALA 961  -1.907   3.528   4.259
  332   2HB   ALA 961          HB2       ALA 961  -3.182   2.308   4.222
  333   3HB   ALA 961          HB3       ALA 961  -3.393   3.776   5.177
  334    H    LEU 962           H        LEU 962   0.225   2.642   4.805
  335    HA   LEU 962           HA       LEU 962   0.507  -0.024   3.936
  336   1HB   LEU 962          HB1       LEU 962   1.609   1.794   2.752
  337   2HB   LEU 962          HB2       LEU 962   2.577   2.163   4.176
  338    HG   LEU 962           HG       LEU 962   2.841  -0.595   3.150
  339   1HD1  LEU 962          1HD1      LEU 962   2.667   0.638   1.060
  340   2HD1  LEU 962          2HD1      LEU 962   3.899   1.771   1.615
  341   3HD1  LEU 962          3HD1      LEU 962   4.320   0.082   1.329
  342   1HD2  LEU 962          1HD2      LEU 962   4.196   0.247   5.003
  343   2HD2  LEU 962          2HD2      LEU 962   5.202  -0.157   3.612
  344   3HD2  LEU 962          3HD2      LEU 962   4.824   1.529   3.968
  345    H    ARG 963           H        ARG 963   1.553   1.601   6.904
  346    HA   ARG 963           HA       ARG 963   3.071  -0.529   7.919
  347   1HB   ARG 963          HB1       ARG 963   1.429   1.586   9.302
  348   2HB   ARG 963          HB2       ARG 963   2.413   0.420  10.179
  349   1HG   ARG 963          HG1       ARG 963   4.408   1.232   9.028
  350   2HG   ARG 963          HG2       ARG 963   3.420   2.402   8.148
  351   1HD   ARG 963          HD1       ARG 963   4.571   3.403  10.082
  352   2HD   ARG 963          HD2       ARG 963   2.816   3.497  10.216
  353    HE   ARG 963           HE       ARG 963   3.089   1.411  11.669
  354   1HH1  ARG 963          2HH1      ARG 963   5.502   3.954  11.445
  355   2HH1  ARG 963          1HH1      ARG 963   6.107   3.673  13.050
  356   1HH2  ARG 963          2HH2      ARG 963   3.882   1.074  13.769
  357   2HH2  ARG 963          1HH2      ARG 963   5.191   2.049  14.370
  358    H    THR 964           H        THR 964  -0.397   0.187   8.429
  359    HA   THR 964           HA       THR 964  -1.121  -2.200   9.661
  360    HB   THR 964           HB       THR 964  -2.798  -0.813   7.559
  361    HG1  THR 964           HG1      THR 964  -2.204   0.756   9.029
  362   1HG2  THR 964          1HG2      THR 964  -3.525  -2.450   9.991
  363   2HG2  THR 964          2HG2      THR 964  -4.673  -1.620   8.942
  364   3HG2  THR 964          3HG2      THR 964  -3.702  -2.950   8.309
  365    H    LEU 965           H        LEU 965  -0.727  -1.453   6.271
  366    HA   LEU 965           HA       LEU 965  -1.370  -3.909   5.120
  367   1HB   LEU 965          HB1       LEU 965  -1.155  -1.936   3.805
  368   2HB   LEU 965          HB2       LEU 965   0.476  -1.653   4.360
  369    HG   LEU 965           HG       LEU 965   0.096  -2.455   1.953
  370   1HD1  LEU 965          1HD1      LEU 965   2.292  -2.275   2.934
  371   2HD1  LEU 965          2HD1      LEU 965   2.081  -3.821   3.759
  372   3HD1  LEU 965          3HD1      LEU 965   2.175  -3.766   1.998
  373   1HD2  LEU 965          1HD2      LEU 965  -1.431  -4.272   2.515
  374   2HD2  LEU 965          2HD2      LEU 965  -0.003  -4.854   1.660
  375   3HD2  LEU 965          3HD2      LEU 965  -0.140  -5.079   3.404
  376    H    LEU 966           H        LEU 966   1.427  -2.870   6.858
  377    HA   LEU 966           HA       LEU 966   3.211  -4.931   5.999
  378   1HB   LEU 966          HB1       LEU 966   3.331  -2.700   7.783
  379   2HB   LEU 966          HB2       LEU 966   3.904  -4.123   8.631
  380    HG   LEU 966           HG       LEU 966   5.744  -2.885   7.582
  381   1HD1  LEU 966          1HD1      LEU 966   6.779  -4.759   6.397
  382   2HD1  LEU 966          2HD1      LEU 966   5.973  -5.287   7.875
  383   3HD1  LEU 966          3HD1      LEU 966   5.212  -5.565   6.307
  384   1HD2  LEU 966          1HD2      LEU 966   4.551  -1.926   5.697
  385   2HD2  LEU 966          2HD2      LEU 966   5.950  -2.841   5.135
  386   3HD2  LEU 966          3HD2      LEU 966   4.332  -3.530   4.996
  387    H    ALA 967           H        ALA 967   0.694  -4.703   8.389
  388    HA   ALA 967           HA       ALA 967   1.260  -7.148   9.736
  389   1HB   ALA 967          HB1       ALA 967  -1.043  -7.047  10.528
  390   2HB   ALA 967          HB2       ALA 967  -0.267  -5.469  10.667
  391   3HB   ALA 967          HB3       ALA 967  -1.404  -5.780   9.356
  392    H    THR 968           H        THR 968  -0.606  -6.319   6.845
  393    HA   THR 968           HA       THR 968  -1.508  -8.941   6.267
  394    HB   THR 968           HB       THR 968  -1.105  -6.482   4.600
  395    HG1  THR 968           HG1      THR 968  -3.486  -7.894   4.597
  396   1HG2  THR 968          1HG2      THR 968  -0.450  -8.337   3.134
  397   2HG2  THR 968          2HG2      THR 968  -1.956  -9.171   3.520
  398   3HG2  THR 968          3HG2      THR 968  -1.994  -7.642   2.642
  399    H    VAL 969           H        VAL 969   1.409  -7.176   5.302
  400    HA   VAL 969           HA       VAL 969   2.721  -9.159   3.882
  401    HB   VAL 969           HB       VAL 969   3.939  -7.200   5.846
  402   1HG1  VAL 969          1HG1      VAL 969   5.240  -8.779   3.629
  403   2HG1  VAL 969          2HG1      VAL 969   6.012  -7.483   4.542
  404   3HG1  VAL 969          3HG1      VAL 969   5.523  -8.967   5.359
  405   1HG2  VAL 969          1HG2      VAL 969   3.535  -6.999   2.868
  406   2HG2  VAL 969          2HG2      VAL 969   2.643  -6.106   4.100
  407   3HG2  VAL 969          3HG2      VAL 969   4.370  -5.819   3.878
  408    H    ASP 970           H        ASP 970   2.207  -8.853   7.326
  409    HA   ASP 970           HA       ASP 970   3.960 -11.026   8.025
  410   1HB   ASP 970          HB1       ASP 970   3.656  -9.216   9.610
  411   2HB   ASP 970          HB2       ASP 970   1.916  -9.483   9.632
  412    H    GLU 971           H        GLU 971   0.525 -10.674   7.455
  413    HA   GLU 971           HA       GLU 971  -0.233 -13.307   8.179
  414   1HB   GLU 971          HB1       GLU 971  -1.331 -11.684   5.869
  415   2HB   GLU 971          HB2       GLU 971  -2.143 -12.993   6.717
  416   1HG   GLU 971          HG1       GLU 971  -1.299 -10.445   8.053
  417   2HG   GLU 971          HG2       GLU 971  -2.884 -10.669   7.304
  418    H    SER 972           H        SER 972   0.753 -11.914   5.115
  419    HA   SER 972           HA       SER 972   0.976 -14.320   3.696
  420   1HB   SER 972          HB1       SER 972   0.752 -12.245   2.520
  421   2HB   SER 972          HB2       SER 972   2.246 -11.621   3.240
  422    HG   SER 972           HG       SER 972   3.222 -13.570   2.184
  423    H    LEU 973           H        LEU 973   3.063 -12.840   6.019
  424    HA   LEU 973           HA       LEU 973   5.530 -13.871   5.242
  425   1HB   LEU 973          HB1       LEU 973   5.283 -12.207   7.012
  426   2HB   LEU 973          HB2       LEU 973   4.510 -13.390   8.048
  427    HG   LEU 973           HG       LEU 973   6.618 -14.702   8.066
  428   1HD1  LEU 973          1HD1      LEU 973   7.716 -12.322   6.575
  429   2HD1  LEU 973          2HD1      LEU 973   8.672 -13.640   7.253
  430   3HD1  LEU 973          3HD1      LEU 973   7.536 -13.958   5.941
  431   1HD2  LEU 973          1HD2      LEU 973   6.114 -13.138   9.862
  432   2HD2  LEU 973          2HD2      LEU 973   7.845 -13.171   9.531
  433   3HD2  LEU 973          3HD2      LEU 973   6.861 -11.828   8.948
  434    HA   PRO 974           HA       PRO 974   4.590 -18.031   7.658
  435   1HB   PRO 974          HB1       PRO 974   1.620 -17.911   7.563
  436   2HB   PRO 974          HB2       PRO 974   2.680 -18.622   8.787
  437   1HG   PRO 974          HG1       PRO 974   1.418 -16.318   9.233
  438   2HG   PRO 974          HG2       PRO 974   3.071 -16.589   9.816
  439   1HD   PRO 974          HD1       PRO 974   2.117 -14.991   7.485
  440   2HD   PRO 974          HD2       PRO 974   3.452 -14.668   8.607
  441    H    VAL 975           H        VAL 975   2.528 -16.477   5.273
  442    HA   VAL 975           HA       VAL 975   2.293 -18.911   3.694
  443    HB   VAL 975           HB       VAL 975   1.780 -16.158   2.611
  444   1HG1  VAL 975          1HG1      VAL 975   0.554 -18.866   2.088
  445   2HG1  VAL 975          2HG1      VAL 975   0.085 -17.356   1.301
  446   3HG1  VAL 975          3HG1      VAL 975   1.699 -18.019   1.046
  447   1HG2  VAL 975          1HG2      VAL 975  -0.088 -17.806   4.317
  448   2HG2  VAL 975          2HG2      VAL 975   0.650 -16.269   4.770
  449   3HG2  VAL 975          3HG2      VAL 975  -0.516 -16.334   3.449
  450    H    LEU 976           H        LEU 976   4.753 -16.717   4.223
  451    HA   LEU 976           HA       LEU 976   5.984 -16.710   1.666
  452   1HB   LEU 976          HB1       LEU 976   6.566 -14.935   3.072
  453   2HB   LEU 976          HB2       LEU 976   6.922 -15.985   4.427
  454    HG   LEU 976           HG       LEU 976   8.653 -16.084   1.981
  455   1HD1  LEU 976          1HD1      LEU 976   8.818 -14.033   4.183
  456   2HD1  LEU 976          2HD1      LEU 976  10.063 -14.327   2.968
  457   3HD1  LEU 976          3HD1      LEU 976   8.478 -13.722   2.481
  458   1HD2  LEU 976          1HD2      LEU 976   9.032 -17.735   3.736
  459   2HD2  LEU 976          2HD2      LEU 976  10.384 -16.605   3.630
  460   3HD2  LEU 976          3HD2      LEU 976   9.201 -16.444   4.928
  461    HA   PRO 977           HA       PRO 977   8.615 -20.428   3.286
  462   1HB   PRO 977          HB1       PRO 977   7.575 -21.817   5.404
  463   2HB   PRO 977          HB2       PRO 977   8.847 -20.601   5.558
  464   1HG   PRO 977          HG1       PRO 977   5.910 -20.346   6.039
  465   2HG   PRO 977          HG2       PRO 977   7.266 -19.683   6.972
  466   1HD   PRO 977          HD1       PRO 977   5.839 -18.178   5.256
  467   2HD   PRO 977          HD2       PRO 977   7.576 -17.924   5.516
  468    H    ALA 978           H        ALA 978   5.149 -20.184   3.468
  469    HA   ALA 978           HA       ALA 978   4.565 -22.774   2.464
  470   1HB   ALA 978          HB1       ALA 978   2.883 -21.316   3.535
  471   2HB   ALA 978          HB2       ALA 978   2.952 -20.248   2.131
  472   3HB   ALA 978          HB3       ALA 978   2.369 -21.904   1.953
  473    H    SER 979           H        SER 979   4.791 -19.595   0.810
  474    HA   SER 979           HA       SER 979   5.963 -20.692  -1.532
  475   1HB   SER 979          HB1       SER 979   2.986 -20.416  -1.434
  476   2HB   SER 979          HB2       SER 979   3.823 -20.064  -2.954
  477    HG   SER 979           HG       SER 979   4.249 -22.454  -1.479
  478    H    THR 980           H        THR 980   4.153 -18.047  -0.085
  479    HA   THR 980           HA       THR 980   4.258 -16.191  -2.147
  480    HB   THR 980           HB       THR 980   4.283 -15.427   0.759
  481    HG1  THR 980           HG1      THR 980   2.021 -15.762   0.632
  482   1HG2  THR 980          1HG2      THR 980   2.887 -13.581  -0.042
  483   2HG2  THR 980          2HG2      THR 980   4.436 -13.599  -0.883
  484   3HG2  THR 980          3HG2      THR 980   2.990 -14.206  -1.689
  485    H    HIS 981           H        HIS 981   6.918 -17.147  -0.197
  486    HA   HIS 981           HA       HIS 981   8.285 -14.856   0.339
  487   1HB   HIS 981          HB1       HIS 981  10.375 -16.141   0.258
  488   2HB   HIS 981          HB2       HIS 981   9.095 -17.011   1.086
  489    HD1  HIS 981           HD1      HIS 981   8.973 -19.398   0.479
  490    HD2  HIS 981           HD2      HIS 981  10.598 -17.117  -2.596
  491    HE1  HIS 981           HE1      HIS 981   9.583 -21.035  -1.331
  492    HE2  HIS 981           HE2      HIS 981  10.699 -19.650  -3.121
  493    H    ARG 982           H        ARG 982   7.703 -16.024  -2.833
  494    HA   ARG 982           HA       ARG 982   9.949 -14.690  -4.062
  495   1HB   ARG 982          HB1       ARG 982   7.377 -15.642  -5.333
  496   2HB   ARG 982          HB2       ARG 982   8.848 -15.189  -6.183
  497   1HG   ARG 982          HG1       ARG 982  10.023 -17.066  -5.190
  498   2HG   ARG 982          HG2       ARG 982   8.576 -17.507  -4.280
  499   1HD   ARG 982          HD1       ARG 982   8.750 -18.910  -6.234
  500   2HD   ARG 982          HD2       ARG 982   7.371 -17.825  -6.411
  501    HE   ARG 982           HE       ARG 982   9.934 -17.092  -7.646
  502   1HH1  ARG 982          2HH1      ARG 982   6.590 -18.078  -7.997
  503   2HH1  ARG 982          1HH1      ARG 982   6.537 -17.749  -9.701
  504   1HH2  ARG 982          2HH2      ARG 982   9.855 -16.655  -9.900
  505   2HH2  ARG 982          1HH2      ARG 982   8.376 -16.938 -10.767
  506    H    GLU 983           H        GLU 983   6.405 -14.038  -4.066
  507    HA   GLU 983           HA       GLU 983   6.859 -11.419  -5.133
  508   1HB   GLU 983          HB1       GLU 983   4.493 -13.009  -4.619
  509   2HB   GLU 983          HB2       GLU 983   4.290 -11.337  -4.180
  510   1HG   GLU 983          HG1       GLU 983   3.604 -11.570  -6.416
  511   2HG   GLU 983          HG2       GLU 983   5.121 -10.679  -6.383
  512    H    ILE 984           H        ILE 984   6.116 -12.688  -1.938
  513    HA   ILE 984           HA       ILE 984   5.182 -10.317  -0.831
  514    HB   ILE 984           HB       ILE 984   5.020 -12.501   0.304
  515   1HG1  ILE 984          1HG1      ILE 984   5.438 -11.665   2.591
  516   2HG1  ILE 984          2HG1      ILE 984   6.390 -10.343   1.927
  517   1HG2  ILE 984          1HG2      ILE 984   7.944 -12.097   0.925
  518   2HG2  ILE 984          2HG2      ILE 984   6.911 -13.357   1.599
  519   3HG2  ILE 984          3HG2      ILE 984   7.264 -13.337  -0.129
  520   1HD1  ILE 984          1HD1      ILE 984   4.136  -9.644   2.549
  521   2HD1  ILE 984          2HD1      ILE 984   4.426  -9.458   0.820
  522   3HD1  ILE 984          3HD1      ILE 984   3.463 -10.811   1.411
  523    H    GLU 985           H        GLU 985   8.462 -11.453  -1.352
  524    HA   GLU 985           HA       GLU 985   9.597  -9.198  -0.011
  525   1HB   GLU 985          HB1       GLU 985  11.750  -9.951  -0.792
  526   2HB   GLU 985          HB2       GLU 985  10.842 -11.297  -0.126
  527   1HG   GLU 985          HG1       GLU 985  10.403 -12.178  -2.276
  528   2HG   GLU 985          HG2       GLU 985  11.009 -10.720  -3.068
  529    H    MET 986           H        MET 986   8.743  -9.928  -3.404
  530    HA   MET 986           HA       MET 986  10.384  -7.935  -4.529
  531   1HB   MET 986          HB1       MET 986   9.129  -8.092  -6.554
  532   2HB   MET 986          HB2       MET 986   9.283  -9.705  -5.882
  533   1HG   MET 986          HG1       MET 986   7.069  -9.908  -5.494
  534   2HG   MET 986          HG2       MET 986   6.851  -8.193  -5.174
  535   1HE   MET 986          HE1       MET 986   7.320  -9.861  -9.453
  536   2HE   MET 986          HE2       MET 986   8.667  -9.653  -8.334
  537   3HE   MET 986          HE3       MET 986   7.431 -10.870  -8.010
  538    H    ALA 987           H        ALA 987   6.990  -7.769  -3.560
  539    HA   ALA 987           HA       ALA 987   6.781  -5.011  -4.282
  540   1HB   ALA 987          HB1       ALA 987   4.910  -6.661  -4.396
  541   2HB   ALA 987          HB2       ALA 987   4.856  -6.614  -2.635
  542   3HB   ALA 987          HB3       ALA 987   4.530  -5.153  -3.565
  543    H    GLN 988           H        GLN 988   7.200  -6.837  -1.298
  544    HA   GLN 988           HA       GLN 988   6.640  -4.726   0.443
  545   1HB   GLN 988          HB1       GLN 988   6.772  -7.079   1.165
  546   2HB   GLN 988          HB2       GLN 988   8.511  -7.057   0.919
  547   1HG   GLN 988          HG1       GLN 988   7.682  -4.913   2.663
  548   2HG   GLN 988          HG2       GLN 988   7.129  -6.478   3.260
  549   1HE2  GLN 988          2HE2      GLN 988   8.518  -6.495   4.991
  550   2HE2  GLN 988          1HE2      GLN 988  10.230  -6.701   4.824
  551    H    LYS 989           H        LYS 989   9.744  -5.735  -1.012
  552    HA   LYS 989           HA       LYS 989  11.375  -3.784   0.192
  553   1HB   LYS 989          HB1       LYS 989  11.550  -4.878  -2.628
  554   2HB   LYS 989          HB2       LYS 989  12.816  -3.975  -1.817
  555   1HG   LYS 989          HG1       LYS 989  11.762  -6.667  -0.993
  556   2HG   LYS 989          HG2       LYS 989  13.274  -6.362  -1.843
  557   1HD   LYS 989          HD1       LYS 989  13.842  -4.856   0.174
  558   2HD   LYS 989          HD2       LYS 989  12.535  -5.719   0.987
  559   1HE   LYS 989          HE1       LYS 989  15.068  -6.865  -0.170
  560   2HE   LYS 989          HE2       LYS 989  14.564  -6.850   1.519
  561   1HZ   LYS 989          HZ1       LYS 989  14.253  -9.024   0.480
  562   2HZ   LYS 989          HZ2       LYS 989  12.772  -8.367   0.978
  563   3HZ   LYS 989          HZ3       LYS 989  13.205  -8.345  -0.663
  564    H    LEU 990           H        LEU 990   9.274  -3.734  -2.601
  565    HA   LEU 990           HA       LEU 990   9.934  -1.131  -3.493
  566   1HB   LEU 990          HB1       LEU 990   8.948  -2.107  -5.230
  567   2HB   LEU 990          HB2       LEU 990   8.226  -3.332  -4.216
  568    HG   LEU 990           HG       LEU 990   6.376  -1.660  -3.743
  569   1HD1  LEU 990          1HD1      LEU 990   6.060   0.099  -5.415
  570   2HD1  LEU 990          2HD1      LEU 990   7.559   0.347  -4.519
  571   3HD1  LEU 990          3HD1      LEU 990   7.608  -0.314  -6.152
  572   1HD2  LEU 990          1HD2      LEU 990   5.236  -2.189  -5.842
  573   2HD2  LEU 990          2HD2      LEU 990   6.774  -2.680  -6.551
  574   3HD2  LEU 990          3HD2      LEU 990   6.100  -3.584  -5.196
  575    H    LEU 991           H        LEU 991   7.509  -2.382  -1.251
  576    HA   LEU 991           HA       LEU 991   5.916  -0.088  -0.940
  577   1HB   LEU 991          HB1       LEU 991   6.659  -2.074   1.211
  578   2HB   LEU 991          HB2       LEU 991   5.270  -1.003   1.211
  579    HG   LEU 991           HG       LEU 991   5.630  -3.123  -0.885
  580   1HD1  LEU 991          1HD1      LEU 991   5.697  -4.230   1.282
  581   2HD1  LEU 991          2HD1      LEU 991   4.256  -3.351   1.795
  582   3HD1  LEU 991          3HD1      LEU 991   4.151  -4.533   0.491
  583   1HD2  LEU 991          1HD2      LEU 991   3.991  -1.339  -1.301
  584   2HD2  LEU 991          2HD2      LEU 991   3.223  -2.910  -1.086
  585   3HD2  LEU 991          3HD2      LEU 991   3.196  -1.727   0.223
  586    H    ASN 992           H        ASN 992   8.768  -1.198   0.841
  587    HA   ASN 992           HA       ASN 992   8.908   0.797   2.756
  588   1HB   ASN 992          HB1       ASN 992  10.297  -1.131   2.983
  589   2HB   ASN 992          HB2       ASN 992  11.058  -0.853   1.422
  590   1HD2  ASN 992          2HD2      ASN 992  10.893   0.168   4.759
  591   2HD2  ASN 992          1HD2      ASN 992  12.380   1.062   4.752
  592    H    SER 993           H        SER 993  10.191   0.732  -0.527
  593    HA   SER 993           HA       SER 993  11.592   3.200  -0.241
  594   1HB   SER 993          HB1       SER 993  10.857   1.604  -2.700
  595   2HB   SER 993          HB2       SER 993  11.956   2.985  -2.686
  596    HG   SER 993           HG       SER 993  12.779   0.655  -2.449
  597    H    ASP 994           H        ASP 994   8.390   2.306  -1.479
  598    HA   ASP 994           HA       ASP 994   8.175   4.929  -2.715
  599   1HB   ASP 994          HB1       ASP 994   6.502   2.447  -2.893
  600   2HB   ASP 994          HB2       ASP 994   5.945   3.985  -3.548
  601    H    LEU 995           H        LEU 995   6.442   3.120  -0.139
  602    HA   LEU 995           HA       LEU 995   4.823   5.280   0.649
  603   1HB   LEU 995          HB1       LEU 995   4.362   3.119   1.582
  604   2HB   LEU 995          HB2       LEU 995   5.984   2.972   2.222
  605    HG   LEU 995           HG       LEU 995   4.070   3.368   3.852
  606   1HD1  LEU 995          1HD1      LEU 995   6.421   5.243   3.959
  607   2HD1  LEU 995          2HD1      LEU 995   5.405   4.770   5.321
  608   3HD1  LEU 995          3HD1      LEU 995   6.400   3.566   4.505
  609   1HD2  LEU 995          1HD2      LEU 995   3.496   5.755   4.227
  610   2HD2  LEU 995          2HD2      LEU 995   4.280   6.137   2.697
  611   3HD2  LEU 995          3HD2      LEU 995   2.862   5.091   2.721
  612    H    ALA 996           H        ALA 996   8.206   4.577   1.179
  613    HA   ALA 996           HA       ALA 996   8.766   6.543   3.110
  614   1HB   ALA 996          HB1       ALA 996  11.072   6.485   2.336
  615   2HB   ALA 996          HB2       ALA 996  10.408   4.855   2.445
  616   3HB   ALA 996          HB3       ALA 996  10.570   5.640   0.874
  617    H    GLU 997           H        GLU 997   8.990   6.787  -0.442
  618    HA   GLU 997           HA       GLU 997   9.397   9.538  -0.527
  619   1HB   GLU 997          HB1       GLU 997   8.000   7.799  -2.559
  620   2HB   GLU 997          HB2       GLU 997   8.530   9.458  -2.841
  621   1HG   GLU 997          HG1       GLU 997  10.844   8.740  -2.301
  622   2HG   GLU 997          HG2       GLU 997  10.264   7.081  -2.217
  623    H    LEU 998           H        LEU 998   6.433   7.705  -0.143
  624    HA   LEU 998           HA       LEU 998   4.660   9.891  -0.460
  625   1HB   LEU 998          HB1       LEU 998   4.434   7.157   0.143
  626   2HB   LEU 998          HB2       LEU 998   3.694   8.006   1.488
  627    HG   LEU 998           HG       LEU 998   2.107   7.375  -0.338
  628   1HD1  LEU 998          1HD1      LEU 998   1.554   9.178   1.193
  629   2HD1  LEU 998          2HD1      LEU 998   2.431  10.326   0.180
  630   3HD1  LEU 998          3HD1      LEU 998   0.976   9.543  -0.432
  631   1HD2  LEU 998          1HD2      LEU 998   3.588   7.710  -2.226
  632   2HD2  LEU 998          2HD2      LEU 998   2.144   8.711  -2.388
  633   3HD2  LEU 998          3HD2      LEU 998   3.669   9.437  -1.880
  634    H    ILE 999           H        ILE 999   6.500   8.666   2.265
  635    HA   ILE 999           HA       ILE 999   5.427  10.352   4.266
  636    HB   ILE 999           HB       ILE 999   8.236   9.253   3.999
  637   1HG1  ILE 999          1HG1      ILE 999   5.876   8.307   5.637
  638   2HG1  ILE 999          2HG1      ILE 999   6.460   7.549   4.160
  639   1HG2  ILE 999          1HG2      ILE 999   6.897  10.514   6.391
  640   2HG2  ILE 999          2HG2      ILE 999   8.461   9.699   6.407
  641   3HG2  ILE 999          3HG2      ILE 999   8.248  11.183   5.476
  642   1HD1  ILE 999          1HD1      ILE 999   8.002   7.796   6.732
  643   2HD1  ILE 999          2HD1      ILE 999   7.198   6.344   6.137
  644   3HD1  ILE 999          3HD1      ILE 999   8.567   7.019   5.255
  645    H    ASN1000           H        ASN1000   7.873  10.806   1.815
  646    HA   ASN1000           HA       ASN1000   8.445  13.524   2.657
  647   1HB   ASN1000          HB1       ASN1000   9.393  11.832   0.340
  648   2HB   ASN1000          HB2       ASN1000   9.845  13.524   0.534
  649   1HD2  ASN1000          2HD2      ASN1000  10.179  10.298   1.809
  650   2HD2  ASN1000          1HD2      ASN1000  11.535  10.633   2.832
  651    H    LYS1001           H        LYS1001   6.175  11.942   0.667
  652    HA   LYS1001           HA       LYS1001   5.590  14.016  -1.138
  653   1HB   LYS1001          HB1       LYS1001   4.863  11.692  -1.441
  654   2HB   LYS1001          HB2       LYS1001   3.850  11.806  -0.015
  655   1HG   LYS1001          HG1       LYS1001   3.371  13.636  -2.322
  656   2HG   LYS1001          HG2       LYS1001   2.815  11.965  -2.387
  657   1HD   LYS1001          HD1       LYS1001   1.942  12.721   0.073
  658   2HD   LYS1001          HD2       LYS1001   1.808  14.235  -0.819
  659   1HE   LYS1001          HE1       LYS1001   0.585  11.588  -1.591
  660   2HE   LYS1001          HE2       LYS1001  -0.272  12.983  -0.940
  661   1HZ   LYS1001          HZ1       LYS1001  -0.545  12.909  -3.308
  662   2HZ   LYS1001          HZ2       LYS1001   0.427  14.235  -2.918
  663   3HZ   LYS1001          HZ3       LYS1001   1.131  12.835  -3.551
  664    H    MET1002           H        MET1002   4.432  13.278   2.103
  665    HA   MET1002           HA       MET1002   2.577  15.469   2.180
  666   1HB   MET1002          HB1       MET1002   2.267  14.851   4.517
  667   2HB   MET1002          HB2       MET1002   2.201  13.413   3.515
  668   1HG   MET1002          HG1       MET1002   4.481  12.848   4.149
  669   2HG   MET1002          HG2       MET1002   4.575  14.306   5.134
  670   1HE   MET1002          HE1       MET1002   4.454  11.508   7.851
  671   2HE   MET1002          HE2       MET1002   5.285  11.453   6.295
  672   3HE   MET1002          HE3       MET1002   5.310  12.931   7.259
  673    H    LYS1003           H        LYS1003   5.801  14.679   3.068
  674    HA   LYS1003           HA       LYS1003   6.249  16.939   4.712
  675   1HB   LYS1003          HB1       LYS1003   7.568  15.017   5.137
  676   2HB   LYS1003          HB2       LYS1003   8.055  14.886   3.451
  677   1HG   LYS1003          HG1       LYS1003   9.366  16.879   3.627
  678   2HG   LYS1003          HG2       LYS1003   8.810  17.136   5.283
  679   1HD   LYS1003          HD1       LYS1003   9.907  15.089   5.995
  680   2HD   LYS1003          HD2       LYS1003  10.398  14.747   4.335
  681   1HE   LYS1003          HE1       LYS1003  11.763  16.759   4.309
  682   2HE   LYS1003          HE2       LYS1003  11.245  17.147   5.948
  683   1HZ   LYS1003          HZ1       LYS1003  13.454  16.074   5.802
  684   2HZ   LYS1003          HZ2       LYS1003  12.359  15.233   6.783
  685   3HZ   LYS1003          HZ3       LYS1003  12.710  14.666   5.220
  686    H    LEU1004           H        LEU1004   7.496  16.070   1.467
  687    HA   LEU1004           HA       LEU1004   8.739  18.444   0.892
  688   1HB   LEU1004          HB1       LEU1004   7.730  16.198  -0.671
  689   2HB   LEU1004          HB2       LEU1004   7.765  17.706  -1.572
  690    HG   LEU1004           HG       LEU1004  10.162  17.955  -1.066
  691   1HD1  LEU1004          1HD1      LEU1004  11.400  16.108  -0.056
  692   2HD1  LEU1004          2HD1      LEU1004  10.224  16.787   1.070
  693   3HD1  LEU1004          3HD1      LEU1004   9.886  15.258   0.257
  694   1HD2  LEU1004          1HD2      LEU1004  10.971  16.134  -2.482
  695   2HD2  LEU1004          2HD2      LEU1004   9.442  15.283  -2.264
  696   3HD2  LEU1004          3HD2      LEU1004   9.477  16.826  -3.117
  697    H    ALA1005           H        ALA1005   5.325  17.665   0.239
  698    HA   ALA1005           HA       ALA1005   4.676  20.073  -1.033
  699   1HB   ALA1005          HB1       ALA1005   3.180  18.132  -0.992
  700   2HB   ALA1005          HB2       ALA1005   2.914  18.374   0.734
  701   3HB   ALA1005          HB3       ALA1005   2.361  19.587  -0.421
  702    H    GLN1006           H        GLN1006   4.522  19.167   2.387
  703    HA   GLN1006           HA       GLN1006   3.818  21.811   3.246
  704   1HB   GLN1006          HB1       GLN1006   4.511  19.256   4.679
  705   2HB   GLN1006          HB2       GLN1006   4.166  20.765   5.532
  706   1HG   GLN1006          HG1       GLN1006   2.376  19.355   3.634
  707   2HG   GLN1006          HG2       GLN1006   2.231  19.402   5.399
  708   1HE2  GLN1006          2HE2      GLN1006   1.773  21.397   6.424
  709   2HE2  GLN1006          1HE2      GLN1006   1.049  22.700   5.555
  710    H    GLN1007           H        GLN1007   6.649  20.315   2.402
  711    HA   GLN1007           HA       GLN1007   8.477  21.798   4.020
  712   1HB   GLN1007          HB1       GLN1007   8.705  19.558   2.609
  713   2HB   GLN1007          HB2       GLN1007   9.228  20.678   1.367
  714   1HG   GLN1007          HG1       GLN1007  11.090  19.692   2.601
  715   2HG   GLN1007          HG2       GLN1007  11.034  21.451   2.782
  716   1HE2  GLN1007          2HE2      GLN1007   8.847  19.288   4.430
  717   2HE2  GLN1007          1HE2      GLN1007   9.482  19.535   6.024
  718    H    TYR1008           H        TYR1008   7.282  22.012   0.707
  719    HA   TYR1008           HA       TYR1008   8.499  24.560   0.197
  720   1HB   TYR1008          HB1       TYR1008   7.846  22.884  -1.567
  721   2HB   TYR1008          HB2       TYR1008   6.163  23.253  -1.220
  722    HD1  TYR1008           HD1      TYR1008   8.611  25.962  -1.135
  723    HD2  TYR1008           HD2      TYR1008   5.826  23.858  -3.563
  724    HE1  TYR1008           HE1      TYR1008   8.690  27.775  -2.792
  725    HE2  TYR1008           HE2      TYR1008   5.894  25.666  -5.222
  726    HH   TYR1008           HH       TYR1008   6.462  27.964  -5.427
  727    H    VAL1009           H        VAL1009   5.140  23.495   0.588
  728    HA   VAL1009           HA       VAL1009   3.253  24.539   1.289
  729    HB   VAL1009           HB       VAL1009   4.419  23.672   3.317
  730   1HG1  VAL1009          1HG1      VAL1009   5.152  26.557   3.783
  731   2HG1  VAL1009          2HG1      VAL1009   5.342  25.240   4.941
  732   3HG1  VAL1009          3HG1      VAL1009   6.270  25.238   3.442
  733   1HG2  VAL1009          1HG2      VAL1009   2.598  26.035   3.742
  734   2HG2  VAL1009          2HG2      VAL1009   2.102  24.377   3.402
  735   3HG2  VAL1009          3HG2      VAL1009   2.924  24.758   4.915
  736    H    MET1010           H        MET1010   4.671  26.291  -0.468
  737    HA   MET1010           HA       MET1010   4.283  28.931   0.664
  738   1HB   MET1010          HB1       MET1010   6.116  28.517  -0.952
  739   2HB   MET1010          HB2       MET1010   4.922  28.120  -2.181
  740   1HG   MET1010          HG1       MET1010   5.800  30.399  -2.405
  741   2HG   MET1010          HG2       MET1010   4.058  30.363  -2.138
  742   1HE   MET1010          HE1       MET1010   7.146  31.479   1.109
  743   2HE   MET1010          HE2       MET1010   6.942  29.837   0.498
  744   3HE   MET1010          HE3       MET1010   7.575  31.098  -0.560
  745    H    THR1011           H        THR1011   2.378  29.928   0.670
  746    HA   THR1011           HA       THR1011   0.022  28.683  -0.005
  747    HB   THR1011           HB       THR1011  -0.909  31.122   0.013
  748    HG1  THR1011           HG1      THR1011   0.630  32.517   1.143
  749   1HG2  THR1011          1HG2      THR1011  -1.127  29.548   1.866
  750   2HG2  THR1011          2HG2      THR1011   0.509  29.935   2.402
  751   3HG2  THR1011          3HG2      THR1011  -0.754  31.165   2.463
  752    H    SER1012           H        SER1012  -0.781  28.108  -1.853
  753    HA   SER1012           HA       SER1012  -1.676  28.214  -3.931
  754   1HB   SER1012          HB1       SER1012  -0.564  31.022  -4.117
  755   2HB   SER1012          HB2       SER1012  -1.744  30.291  -5.207
  756    HG   SER1012           HG       SER1012  -2.115  30.696  -2.408
  757    H    LEU1013           H        LEU1013   1.630  29.433  -3.617
  758    HA   LEU1013           HA       LEU1013   2.387  28.579  -6.261
  759   1HB   LEU1013          HB1       LEU1013   3.941  29.578  -3.887
  760   2HB   LEU1013          HB2       LEU1013   4.745  28.988  -5.327
  761    HG   LEU1013           HG       LEU1013   3.526  30.743  -6.641
  762   1HD1  LEU1013          1HD1      LEU1013   2.810  31.796  -3.908
  763   2HD1  LEU1013          2HD1      LEU1013   2.545  32.619  -5.445
  764   3HD1  LEU1013          3HD1      LEU1013   1.678  31.127  -5.084
  765   1HD2  LEU1013          1HD2      LEU1013   4.969  32.572  -5.880
  766   2HD2  LEU1013          2HD2      LEU1013   5.310  31.675  -4.399
  767   3HD2  LEU1013          3HD2      LEU1013   5.832  31.036  -5.958
  768    H    GLN1014           H        GLN1014   1.796  27.007  -3.431
  769    HA   GLN1014           HA       GLN1014   3.706  25.023  -3.127
  770   1HB   GLN1014          HB1       GLN1014   1.526  25.681  -1.811
  771   2HB   GLN1014          HB2       GLN1014   0.767  24.476  -2.829
  772   1HG   GLN1014          HG1       GLN1014   2.899  24.084  -0.758
  773   2HG   GLN1014          HG2       GLN1014   1.262  23.437  -0.778
  774   1HE2  GLN1014          2HE2      GLN1014   0.777  21.913  -2.563
  775   2HE2  GLN1014          1HE2      GLN1014   2.030  20.826  -3.040
  776    H    GLN1015           H        GLN1015   1.428  25.486  -5.636
  777    HA   GLN1015           HA       GLN1015   0.623  22.881  -6.227
  778   1HB   GLN1015          HB1       GLN1015  -0.133  23.734  -8.332
  779   2HB   GLN1015          HB2       GLN1015  -0.450  24.923  -7.080
  780   1HG   GLN1015          HG1       GLN1015   1.657  26.089  -7.785
  781   2HG   GLN1015          HG2       GLN1015   1.721  24.991  -9.161
  782   1HE2  GLN1015          2HE2      GLN1015   1.480  27.865  -9.136
  783   2HE2  GLN1015          1HE2      GLN1015  -0.001  28.248  -9.956
  784    H    GLU1016           H        GLU1016   3.426  24.671  -7.415
  785    HA   GLU1016           HA       GLU1016   4.502  22.931  -9.203
  786   1HB   GLU1016          HB1       GLU1016   5.536  25.084  -8.434
  787   2HB   GLU1016          HB2       GLU1016   6.148  24.222  -7.027
  788   1HG   GLU1016          HG1       GLU1016   7.827  24.456  -8.807
  789   2HG   GLU1016          HG2       GLU1016   7.464  22.774  -8.423
  790    H    TYR1017           H        TYR1017   4.935  22.668  -5.665
  791    HA   TYR1017           HA       TYR1017   6.220  20.109  -5.926
  792   1HB   TYR1017          HB1       TYR1017   5.533  21.915  -3.676
  793   2HB   TYR1017          HB2       TYR1017   5.589  20.195  -3.300
  794    HD1  TYR1017           HD1      TYR1017   7.732  21.743  -5.865
  795    HD2  TYR1017           HD2      TYR1017   7.499  20.331  -1.859
  796    HE1  TYR1017           HE1      TYR1017  10.182  21.819  -5.702
  797    HE2  TYR1017           HE2      TYR1017   9.948  20.402  -1.689
  798    HH   TYR1017           HH       TYR1017  11.938  21.773  -4.260
  799    H    LYS1018           H        LYS1018   2.988  21.250  -5.680
  800    HA   LYS1018           HA       LYS1018   1.782  18.918  -4.635
  801   1HB   LYS1018          HB1       LYS1018   0.576  21.040  -4.715
  802   2HB   LYS1018          HB2       LYS1018   0.621  21.023  -6.472
  803   1HG   LYS1018          HG1       LYS1018  -0.871  19.211  -6.598
  804   2HG   LYS1018          HG2       LYS1018  -0.699  18.846  -4.882
  805   1HD   LYS1018          HD1       LYS1018  -2.817  19.910  -5.230
  806   2HD   LYS1018          HD2       LYS1018  -1.763  21.034  -4.374
  807   1HE   LYS1018          HE1       LYS1018  -1.289  22.191  -6.474
  808   2HE   LYS1018          HE2       LYS1018  -2.332  21.057  -7.335
  809   1HZ   LYS1018          HZ1       LYS1018  -3.566  23.038  -6.899
  810   2HZ   LYS1018          HZ2       LYS1018  -4.176  21.819  -5.887
  811   3HZ   LYS1018          HZ3       LYS1018  -3.151  23.010  -5.255
  812    H    LYS1019           H        LYS1019   2.568  19.937  -7.938
  813    HA   LYS1019           HA       LYS1019   1.439  17.734  -9.286
  814   1HB   LYS1019          HB1       LYS1019   3.886  19.375  -9.980
  815   2HB   LYS1019          HB2       LYS1019   3.104  18.245 -11.072
  816   1HG   LYS1019          HG1       LYS1019   1.095  19.589 -11.085
  817   2HG   LYS1019          HG2       LYS1019   1.805  20.699  -9.908
  818   1HD   LYS1019          HD1       LYS1019   3.544  21.306 -11.490
  819   2HD   LYS1019          HD2       LYS1019   2.921  20.140 -12.657
  820   1HE   LYS1019          HE1       LYS1019   2.210  22.391 -13.227
  821   2HE   LYS1019          HE2       LYS1019   0.825  21.394 -12.786
  822   1HZ   LYS1019          HZ1       LYS1019   2.179  23.335 -10.987
  823   2HZ   LYS1019          HZ2       LYS1019   0.723  23.613 -11.815
  824   3HZ   LYS1019          HZ3       LYS1019   0.796  22.418 -10.616
  825    H    GLN1020           H        GLN1020   4.816  18.310  -8.437
  826    HA   GLN1020           HA       GLN1020   5.930  15.870  -8.849
  827   1HB   GLN1020          HB1       GLN1020   6.460  17.908  -6.705
  828   2HB   GLN1020          HB2       GLN1020   7.440  16.455  -6.859
  829   1HG   GLN1020          HG1       GLN1020   8.219  17.079  -8.989
  830   2HG   GLN1020          HG2       GLN1020   7.000  18.342  -9.149
  831   1HE2  GLN1020          2HE2      GLN1020   7.333  20.310  -8.209
  832   2HE2  GLN1020          1HE2      GLN1020   8.844  20.780  -7.506
  833    H    MET1021           H        MET1021   4.282  16.823  -5.810
  834    HA   MET1021           HA       MET1021   4.779  14.259  -4.657
  835   1HB   MET1021          HB1       MET1021   3.472  14.997  -2.758
  836   2HB   MET1021          HB2       MET1021   4.600  16.246  -3.249
  837   1HG   MET1021          HG1       MET1021   2.725  17.466  -2.800
  838   2HG   MET1021          HG2       MET1021   2.557  17.210  -4.533
  839   1HE   MET1021          HE1       MET1021   0.293  17.986  -2.180
  840   2HE   MET1021          HE2       MET1021  -0.030  18.073  -3.912
  841   3HE   MET1021          HE3       MET1021  -1.096  17.142  -2.858
  842    H    LEU1022           H        LEU1022   2.329  15.476  -6.728
  843    HA   LEU1022           HA       LEU1022   0.317  13.559  -6.123
  844   1HB   LEU1022          HB1       LEU1022   0.073  15.701  -7.486
  845   2HB   LEU1022          HB2       LEU1022   0.822  14.835  -8.810
  846    HG   LEU1022           HG       LEU1022  -1.705  13.844  -7.498
  847   1HD1  LEU1022          1HD1      LEU1022  -2.115  16.117  -8.259
  848   2HD1  LEU1022          2HD1      LEU1022  -1.447  15.722  -9.842
  849   3HD1  LEU1022          3HD1      LEU1022  -2.939  14.954  -9.298
  850   1HD2  LEU1022          1HD2      LEU1022  -2.031  12.705  -9.627
  851   2HD2  LEU1022          2HD2      LEU1022  -0.533  13.400 -10.246
  852   3HD2  LEU1022          3HD2      LEU1022  -0.485  12.250  -8.909
  853    H    THR1023           H        THR1023   2.914  13.685  -8.555
  854    HA   THR1023           HA       THR1023   2.490  11.106  -9.618
  855    HB   THR1023           HB       THR1023   5.099  12.644  -9.478
  856    HG1  THR1023           HG1      THR1023   3.142  12.598 -11.558
  857   1HG2  THR1023          1HG2      THR1023   5.374  10.288 -10.117
  858   2HG2  THR1023          2HG2      THR1023   4.171  10.495 -11.389
  859   3HG2  THR1023          3HG2      THR1023   5.701  11.366 -11.473
  860    H    ALA1024           H        ALA1024   4.283  12.287  -6.853
  861    HA   ALA1024           HA       ALA1024   5.751   9.957  -6.256
  862   1HB   ALA1024          HB1       ALA1024   6.238  12.137  -5.251
  863   2HB   ALA1024          HB2       ALA1024   4.724  12.057  -4.351
  864   3HB   ALA1024          HB3       ALA1024   6.006  10.893  -4.020
  865    H    ALA1025           H        ALA1025   2.454  10.920  -5.536
  866    HA   ALA1025           HA       ALA1025   1.907   8.846  -3.657
  867   1HB   ALA1025          HB1       ALA1025  -0.020  10.413  -5.378
  868   2HB   ALA1025          HB2       ALA1025  -0.437   9.446  -3.964
  869   3HB   ALA1025          HB3       ALA1025   0.555  10.892  -3.782
  870    H    HIS1026           H        HIS1026   1.779   9.106  -7.135
  871    HA   HIS1026           HA       HIS1026   0.347   6.728  -7.629
  872   1HB   HIS1026          HB1       HIS1026   0.577   8.281  -9.433
  873   2HB   HIS1026          HB2       HIS1026   2.331   8.289  -9.291
  874    HD1  HIS1026           HD1      HIS1026   3.527   6.871 -10.917
  875    HD2  HIS1026           HD2      HIS1026  -0.388   5.581 -10.329
  876    HE1  HIS1026           HE1      HIS1026   3.164   5.006 -12.569
  877    HE2  HIS1026           HE2      HIS1026   0.772   4.277 -12.240
  878    H    ALA1027           H        ALA1027   3.734   7.400  -7.033
  879    HA   ALA1027           HA       ALA1027   4.821   4.899  -7.625
  880   1HB   ALA1027          HB1       ALA1027   6.172   6.874  -7.092
  881   2HB   ALA1027          HB2       ALA1027   5.619   6.800  -5.420
  882   3HB   ALA1027          HB3       ALA1027   6.613   5.499  -6.079
  883    H    LEU1028           H        LEU1028   3.402   6.125  -4.623
  884    HA   LEU1028           HA       LEU1028   3.653   3.777  -3.088
  885   1HB   LEU1028          HB1       LEU1028   3.075   5.998  -2.156
  886   2HB   LEU1028          HB2       LEU1028   1.517   5.899  -2.950
  887    HG   LEU1028           HG       LEU1028   1.769   3.528  -1.406
  888   1HD1  LEU1028          1HD1      LEU1028   3.475   4.646  -0.095
  889   2HD1  LEU1028          2HD1      LEU1028   2.397   6.018   0.167
  890   3HD1  LEU1028          3HD1      LEU1028   1.993   4.438   0.838
  891   1HD2  LEU1028          1HD2      LEU1028  -0.202   4.415  -0.296
  892   2HD2  LEU1028          2HD2      LEU1028   0.115   6.015  -0.968
  893   3HD2  LEU1028          3HD2      LEU1028  -0.298   4.674  -2.037
  894    H    ALA1029           H        ALA1029   1.010   5.030  -5.049
  895    HA   ALA1029           HA       ALA1029  -0.824   3.027  -4.563
  896   1HB   ALA1029          HB1       ALA1029  -1.890   3.643  -6.679
  897   2HB   ALA1029          HB2       ALA1029  -1.379   5.074  -5.785
  898   3HB   ALA1029          HB3       ALA1029  -0.436   4.515  -7.166
  899    H    VAL1030           H        VAL1030   1.804   3.080  -6.969
  900    HA   VAL1030           HA       VAL1030   1.331   0.543  -8.042
  901    HB   VAL1030           HB       VAL1030   3.962   2.002  -7.744
  902   1HG1  VAL1030          1HG1      VAL1030   3.207  -0.313  -9.527
  903   2HG1  VAL1030          2HG1      VAL1030   4.714   0.597  -9.618
  904   3HG1  VAL1030          3HG1      VAL1030   4.346  -0.354  -8.180
  905   1HG2  VAL1030          1HG2      VAL1030   2.322   3.292  -8.985
  906   2HG2  VAL1030          2HG2      VAL1030   3.572   2.686 -10.072
  907   3HG2  VAL1030          3HG2      VAL1030   1.990   1.907 -10.025
  908    H    ASP1031           H        ASP1031   3.003   1.470  -5.053
  909    HA   ASP1031           HA       ASP1031   4.197  -1.129  -4.763
  910   1HB   ASP1031          HB1       ASP1031   5.021  -0.473  -2.631
  911   2HB   ASP1031          HB2       ASP1031   5.178   0.915  -3.682
  912    H    ALA1032           H        ALA1032   1.333   0.476  -3.521
  913    HA   ALA1032           HA       ALA1032   0.241  -1.650  -2.042
  914   1HB   ALA1032          HB1       ALA1032  -0.656   0.621  -1.982
  915   2HB   ALA1032          HB2       ALA1032  -1.174   0.471  -3.660
  916   3HB   ALA1032          HB3       ALA1032  -1.907  -0.543  -2.417
  917    H    LYS1033           H        LYS1033  -0.210  -0.718  -5.462
  918    HA   LYS1033           HA       LYS1033  -2.076  -2.711  -6.084
  919   1HB   LYS1033          HB1       LYS1033  -1.330  -0.555  -7.370
  920   2HB   LYS1033          HB2       LYS1033  -0.168  -1.630  -8.131
  921   1HG   LYS1033          HG1       LYS1033  -3.144  -2.083  -8.132
  922   2HG   LYS1033          HG2       LYS1033  -2.258  -1.276  -9.424
  923   1HD   LYS1033          HD1       LYS1033  -0.927  -3.315  -9.763
  924   2HD   LYS1033          HD2       LYS1033  -1.853  -4.117  -8.493
  925   1HE   LYS1033          HE1       LYS1033  -2.708  -4.743 -10.672
  926   2HE   LYS1033          HE2       LYS1033  -3.904  -3.782  -9.801
  927   1HZ   LYS1033          HZ1       LYS1033  -3.241  -1.847 -11.077
  928   2HZ   LYS1033          HZ2       LYS1033  -2.066  -2.754 -11.896
  929   3HZ   LYS1033          HZ3       LYS1033  -3.711  -3.105 -12.115
  930    H    ASN1034           H        ASN1034   1.460  -2.644  -6.539
  931    HA   ASN1034           HA       ASN1034   1.553  -5.115  -7.901
  932   1HB   ASN1034          HB1       ASN1034   3.356  -3.352  -7.906
  933   2HB   ASN1034          HB2       ASN1034   3.809  -3.904  -6.297
  934   1HD2  ASN1034          2HD2      ASN1034   4.934  -5.793  -6.076
  935   2HD2  ASN1034          1HD2      ASN1034   5.544  -6.708  -7.409
  936    H    LEU1035           H        LEU1035   1.661  -4.291  -4.488
  937    HA   LEU1035           HA       LEU1035   2.436  -6.993  -3.679
  938   1HB   LEU1035          HB1       LEU1035   3.149  -5.123  -2.265
  939   2HB   LEU1035          HB2       LEU1035   1.480  -4.603  -2.058
  940    HG   LEU1035           HG       LEU1035   1.115  -6.944  -1.007
  941   1HD1  LEU1035          1HD1      LEU1035   3.241  -7.912  -1.675
  942   2HD1  LEU1035          2HD1      LEU1035   4.107  -6.687  -0.749
  943   3HD1  LEU1035          3HD1      LEU1035   3.095  -7.869   0.082
  944   1HD2  LEU1035          1HD2      LEU1035   2.733  -4.821   0.379
  945   2HD2  LEU1035          2HD2      LEU1035   0.975  -4.879   0.235
  946   3HD2  LEU1035          3HD2      LEU1035   1.824  -6.104   1.177
  947    H    LEU1036           H        LEU1036  -0.562  -5.116  -4.023
  948    HA   LEU1036           HA       LEU1036  -2.155  -6.933  -2.542
  949   1HB   LEU1036          HB1       LEU1036  -4.113  -5.840  -3.425
  950   2HB   LEU1036          HB2       LEU1036  -2.937  -4.641  -2.933
  951    HG   LEU1036           HG       LEU1036  -2.320  -4.540  -5.452
  952   1HD1  LEU1036          1HD1      LEU1036  -4.175  -5.029  -6.963
  953   2HD1  LEU1036          2HD1      LEU1036  -3.591  -6.495  -6.176
  954   3HD1  LEU1036          3HD1      LEU1036  -5.083  -5.734  -5.627
  955   1HD2  LEU1036          1HD2      LEU1036  -4.051  -2.857  -5.810
  956   2HD2  LEU1036          2HD2      LEU1036  -4.955  -3.489  -4.433
  957   3HD2  LEU1036          3HD2      LEU1036  -3.376  -2.741  -4.184
  958    H    ASP1037           H        ASP1037  -0.859  -6.954  -5.666
  959    HA   ASP1037           HA       ASP1037  -2.415  -9.260  -6.503
  960   1HB   ASP1037          HB1       ASP1037  -1.742  -7.749  -8.254
  961   2HB   ASP1037          HB2       ASP1037  -0.061  -7.812  -7.736
  962    H    VAL1038           H        VAL1038   0.809  -8.447  -5.380
  963    HA   VAL1038           HA       VAL1038   2.113 -10.859  -5.303
  964    HB   VAL1038           HB       VAL1038   2.115  -8.505  -3.450
  965   1HG1  VAL1038          1HG1      VAL1038   4.010  -9.439  -2.224
  966   2HG1  VAL1038          2HG1      VAL1038   2.554 -10.410  -2.003
  967   3HG1  VAL1038          3HG1      VAL1038   3.822 -10.961  -3.095
  968   1HG2  VAL1038          1HG2      VAL1038   3.197  -8.242  -5.600
  969   2HG2  VAL1038          2HG2      VAL1038   4.398  -8.231  -4.309
  970   3HG2  VAL1038          3HG2      VAL1038   4.182  -9.673  -5.301
  971    H    ILE1039           H        ILE1039   0.271  -9.527  -2.605
  972    HA   ILE1039           HA       ILE1039   0.242 -12.029  -1.240
  973    HB   ILE1039           HB       ILE1039  -1.264 -10.784   0.416
  974   1HG1  ILE1039          1HG1      ILE1039  -1.046  -8.332   0.367
  975   2HG1  ILE1039          2HG1      ILE1039  -0.257  -8.432  -1.200
  976   1HG2  ILE1039          1HG2      ILE1039   1.536  -9.808  -0.117
  977   2HG2  ILE1039          2HG2      ILE1039   0.670  -9.692   1.415
  978   3HG2  ILE1039          3HG2      ILE1039   1.095 -11.272   0.761
  979   1HD1  ILE1039          1HD1      ILE1039  -2.574  -7.757  -1.401
  980   2HD1  ILE1039          2HD1      ILE1039  -2.296  -9.317  -2.178
  981   3HD1  ILE1039          3HD1      ILE1039  -3.085  -9.243  -0.602
  982    H    ASP1040           H        ASP1040  -2.109 -10.270  -3.207
  983    HA   ASP1040           HA       ASP1040  -4.210 -12.069  -2.860
  984   1HB   ASP1040          HB1       ASP1040  -4.520 -10.174  -4.341
  985   2HB   ASP1040          HB2       ASP1040  -3.273 -10.771  -5.431
  986    H    GLN1041           H        GLN1041  -1.241 -12.332  -4.719
  987    HA   GLN1041           HA       GLN1041  -1.807 -15.032  -5.451
  988   1HB   GLN1041          HB1       GLN1041   0.780 -13.490  -5.369
  989   2HB   GLN1041          HB2       GLN1041   0.719 -15.198  -5.783
  990   1HG   GLN1041          HG1       GLN1041  -0.712 -12.991  -7.250
  991   2HG   GLN1041          HG2       GLN1041   0.793 -13.754  -7.761
  992   1HE2  GLN1041          2HE2      GLN1041  -2.635 -14.107  -7.440
  993   2HE2  GLN1041          1HE2      GLN1041  -2.785 -15.554  -8.378
  994    H    ALA1042           H        ALA1042  -0.188 -13.491  -2.711
  995    HA   ALA1042           HA       ALA1042   0.900 -15.651  -1.467
  996   1HB   ALA1042          HB1       ALA1042   1.012 -13.334  -0.630
  997   2HB   ALA1042          HB2       ALA1042  -0.643 -13.503  -0.044
  998   3HB   ALA1042          HB3       ALA1042   0.637 -14.511   0.628
  999    H    ARG1043           H        ARG1043  -2.421 -14.479  -0.941
 1000    HA   ARG1043           HA       ARG1043  -3.344 -16.571   0.583
 1001   1HB   ARG1043          HB1       ARG1043  -5.613 -16.047  -0.230
 1002   2HB   ARG1043          HB2       ARG1043  -4.710 -14.630   0.260
 1003   1HG   ARG1043          HG1       ARG1043  -5.767 -13.910  -1.634
 1004   2HG   ARG1043          HG2       ARG1043  -4.194 -14.397  -2.260
 1005   1HD   ARG1043          HD1       ARG1043  -5.149 -16.546  -2.966
 1006   2HD   ARG1043          HD2       ARG1043  -6.729 -16.041  -2.358
 1007    HE   ARG1043           HE       ARG1043  -5.965 -14.059  -4.111
 1008   1HH1  ARG1043          2HH1      ARG1043  -6.483 -17.518  -4.359
 1009   2HH1  ARG1043          1HH1      ARG1043  -6.875 -17.463  -6.051
 1010   1HH2  ARG1043          2HH2      ARG1043  -6.466 -13.983  -6.299
 1011   2HH2  ARG1043          1HH2      ARG1043  -6.875 -15.443  -7.154
 1012    H    LEU1044           H        LEU1044  -3.040 -16.510  -2.958
 1013    HA   LEU1044           HA       LEU1044  -4.161 -19.165  -3.182
 1014   1HB   LEU1044          HB1       LEU1044  -4.431 -17.517  -4.974
 1015   2HB   LEU1044          HB2       LEU1044  -2.704 -17.499  -5.218
 1016    HG   LEU1044           HG       LEU1044  -2.817 -19.913  -5.850
 1017   1HD1  LEU1044          1HD1      LEU1044  -4.907 -20.441  -4.686
 1018   2HD1  LEU1044          2HD1      LEU1044  -5.791 -19.427  -5.826
 1019   3HD1  LEU1044          3HD1      LEU1044  -4.971 -20.882  -6.394
 1020   1HD2  LEU1044          1HD2      LEU1044  -2.734 -18.168  -7.544
 1021   2HD2  LEU1044          2HD2      LEU1044  -3.756 -19.503  -8.071
 1022   3HD2  LEU1044          3HD2      LEU1044  -4.490 -18.012  -7.486
 1023    H    LYS1045           H        LYS1045  -1.004 -17.804  -2.705
 1024    HA   LYS1045           HA       LYS1045   0.603 -19.976  -3.511
 1025   1HB   LYS1045          HB1       LYS1045   1.084 -18.093  -1.190
 1026   2HB   LYS1045          HB2       LYS1045   2.294 -19.103  -1.957
 1027   1HG   LYS1045          HG1       LYS1045   0.966 -16.641  -2.991
 1028   2HG   LYS1045          HG2       LYS1045   2.678 -16.961  -2.750
 1029   1HD   LYS1045          HD1       LYS1045   0.975 -18.368  -4.804
 1030   2HD   LYS1045          HD2       LYS1045   1.926 -16.924  -5.143
 1031   1HE   LYS1045          HE1       LYS1045   3.950 -18.179  -4.393
 1032   2HE   LYS1045          HE2       LYS1045   2.946 -19.626  -4.286
 1033   1HZ   LYS1045          HZ1       LYS1045   3.517 -18.029  -6.727
 1034   2HZ   LYS1045          HZ2       LYS1045   4.044 -19.609  -6.392
 1035   3HZ   LYS1045          HZ3       LYS1045   2.399 -19.307  -6.662
 1036    H    MET1046           H        MET1046  -0.963 -19.145  -0.488
 1037    HA   MET1046           HA       MET1046  -0.165 -21.398   0.996
 1038   1HB   MET1046          HB1       MET1046  -1.236 -19.335   1.925
 1039   2HB   MET1046          HB2       MET1046  -2.761 -19.870   1.239
 1040   1HG   MET1046          HG1       MET1046  -1.227 -21.593   3.139
 1041   2HG   MET1046          HG2       MET1046  -2.289 -20.315   3.725
 1042   1HE   MET1046          HE1       MET1046  -3.681 -22.090   5.132
 1043   2HE   MET1046          HE2       MET1046  -4.365 -23.564   4.445
 1044   3HE   MET1046          HE3       MET1046  -2.616 -23.375   4.561
 1045    H    ILE1047           H        ILE1047  -2.895 -20.809  -1.152
 1046    HA   ILE1047           HA       ILE1047  -4.137 -23.311  -0.948
 1047    HB   ILE1047           HB       ILE1047  -3.992 -21.413  -3.288
 1048   1HG1  ILE1047          1HG1      ILE1047  -5.106 -20.502  -1.324
 1049   2HG1  ILE1047          2HG1      ILE1047  -6.287 -20.836  -2.587
 1050   1HG2  ILE1047          1HG2      ILE1047  -4.469 -23.660  -4.102
 1051   2HG2  ILE1047          2HG2      ILE1047  -5.776 -23.817  -2.927
 1052   3HG2  ILE1047          3HG2      ILE1047  -5.897 -22.631  -4.225
 1053   1HD1  ILE1047          1HD1      ILE1047  -6.924 -22.896  -1.438
 1054   2HD1  ILE1047          2HD1      ILE1047  -5.742 -22.552  -0.174
 1055   3HD1  ILE1047          3HD1      ILE1047  -7.124 -21.480  -0.405
 1056    H    SER1048           H        SER1048  -1.385 -22.205  -2.856
 1057    HA   SER1048           HA       SER1048  -1.082 -24.464  -4.492
 1058   1HB   SER1048          HB1       SER1048   0.077 -22.276  -4.830
 1059   2HB   SER1048          HB2       SER1048   1.111 -22.643  -3.448
 1060    HG   SER1048           HG       SER1048   1.423 -24.720  -4.838
 1061    H    GLN1049           H        GLN1049  -0.400 -23.978  -1.146
 1062    HA   GLN1049           HA       GLN1049   1.381 -26.254  -0.955
 1063   1HB   GLN1049          HB1       GLN1049   1.766 -24.338   0.490
 1064   2HB   GLN1049          HB2       GLN1049   0.152 -24.489   1.167
 1065   1HG   GLN1049          HG1       GLN1049   0.710 -26.515   2.265
 1066   2HG   GLN1049          HG2       GLN1049   2.239 -26.636   1.396
 1067   1HE2  GLN1049          2HE2      GLN1049   3.956 -25.358   1.999
 1068   2HE2  GLN1049          1HE2      GLN1049   4.003 -24.510   3.504
 1069    H    SER1050           H        SER1050  -1.982 -25.484  -0.175
 1070    HA   SER1050           HA       SER1050  -2.476 -28.113   0.935
 1071   1HB   SER1050          HB1       SER1050  -3.637 -26.068   1.772
 1072   2HB   SER1050          HB2       SER1050  -4.445 -25.925   0.212
 1073    HG   SER1050           HG       SER1050  -4.938 -28.348   0.911
 1074    H    ARG1051           H        ARG1051  -2.765 -26.485  -2.089
 1075    HA   ARG1051           HA       ARG1051  -3.890 -28.902  -3.335
 1076   1HB   ARG1051          HB1       ARG1051  -5.548 -27.213  -3.554
 1077   2HB   ARG1051          HB2       ARG1051  -4.354 -25.975  -3.902
 1078   1HG   ARG1051          HG1       ARG1051  -5.600 -26.498  -5.889
 1079   2HG   ARG1051          HG2       ARG1051  -3.927 -27.019  -6.084
 1080   1HD   ARG1051          HD1       ARG1051  -5.336 -28.724  -6.960
 1081   2HD   ARG1051          HD2       ARG1051  -4.644 -29.315  -5.452
 1082    HE   ARG1051           HE       ARG1051  -7.148 -28.127  -4.947
 1083   1HH1  ARG1051          2HH1      ARG1051  -5.748 -30.943  -6.488
 1084   2HH1  ARG1051          1HH1      ARG1051  -7.103 -31.977  -6.106
 1085   1HH2  ARG1051          2HH2      ARG1051  -8.963 -29.449  -4.526
 1086   2HH2  ARG1051          1HH2      ARG1051  -8.942 -31.112  -5.020
 1087    HA   PRO1052           HA       PRO1052   0.289 -28.285  -5.082
 1088   1HB   PRO1052          HB1       PRO1052   1.027 -30.868  -5.076
 1089   2HB   PRO1052          HB2       PRO1052   1.085 -29.874  -3.618
 1090   1HG   PRO1052          HG1       PRO1052  -0.919 -31.925  -4.438
 1091   2HG   PRO1052          HG2       PRO1052  -0.273 -31.565  -2.828
 1092   1HD   PRO1052          HD1       PRO1052  -2.722 -30.703  -3.798
 1093   2HD   PRO1052          HD2       PRO1052  -1.847 -29.970  -2.441
 1094    H    HIS1053           H        HIS1053  -2.354 -30.340  -6.043
 1095    HA   HIS1053           HA       HIS1053  -1.617 -29.952  -8.827
 1096   1HB   HIS1053          HB1       HIS1053  -2.009 -32.300  -9.421
 1097   2HB   HIS1053          HB2       HIS1053  -0.671 -32.150  -8.294
 1098    HD1  HIS1053           HD1      HIS1053  -3.883 -33.834  -8.795
 1099    HD2  HIS1053           HD2      HIS1053  -1.333 -33.037  -5.604
 1100    HE1  HIS1053           HE1      HIS1053  -4.581 -35.405  -6.958
 1101    HE2  HIS1053           HE2      HIS1053  -3.030 -34.910  -5.034
  Start of MODEL   22
    1   1H    ARG 920           H        ARG 920  -7.636 -19.480  -3.361
    2    HA   ARG 920           HA       ARG 920  -8.575 -19.761  -0.747
    3   1HB   ARG 920          HB1       ARG 920  -6.225 -19.427  -1.270
    4   2HB   ARG 920          HB2       ARG 920  -6.563 -17.820  -1.893
    5   1HG   ARG 920          HG1       ARG 920  -5.578 -17.654   0.279
    6   2HG   ARG 920          HG2       ARG 920  -7.255 -17.114   0.357
    7   1HD   ARG 920          HD1       ARG 920  -7.824 -19.454   1.145
    8   2HD   ARG 920          HD2       ARG 920  -6.086 -19.714   1.321
    9    HE   ARG 920           HE       ARG 920  -6.276 -17.584   2.803
   10   1HH1  ARG 920          2HH1      ARG 920  -8.658 -20.140   2.566
   11   2HH1  ARG 920          1HH1      ARG 920  -9.275 -19.902   4.167
   12   1HH2  ARG 920          2HH2      ARG 920  -7.066 -17.265   4.910
   13   2HH2  ARG 920          1HH2      ARG 920  -8.350 -18.265   5.520
   14    H    SER 921           H        SER 921  -9.375 -17.442  -3.135
   15    HA   SER 921           HA       SER 921 -10.791 -15.684  -3.203
   16   1HB   SER 921          HB1       SER 921 -11.467 -16.338  -0.329
   17   2HB   SER 921          HB2       SER 921 -12.406 -15.332  -1.431
   18    HG   SER 921           HG       SER 921 -11.834 -18.089  -1.818
   19    H    ASN 922           H        ASN 922  -8.081 -15.870  -1.534
   20    HA   ASN 922           HA       ASN 922  -6.505 -14.396  -0.850
   21   1HB   ASN 922          HB1       ASN 922  -7.929 -12.122  -2.138
   22   2HB   ASN 922          HB2       ASN 922  -6.231 -12.582  -2.221
   23   1HD2  ASN 922          2HD2      ASN 922  -5.651 -14.380  -3.569
   24   2HD2  ASN 922          1HD2      ASN 922  -6.622 -14.752  -4.953
   25    H    ASP 923           H        ASP 923  -7.119 -14.685   1.169
   26    HA   ASP 923           HA       ASP 923  -9.076 -13.429   2.649
   27   1HB   ASP 923          HB1       ASP 923  -7.719 -14.195   4.611
   28   2HB   ASP 923          HB2       ASP 923  -8.077 -15.444   3.440
   29    H    LYS 924           H        LYS 924  -8.013 -12.382   4.842
   30    HA   LYS 924           HA       LYS 924  -7.904  -9.785   4.861
   31   1HB   LYS 924          HB1       LYS 924  -7.124 -11.671   6.622
   32   2HB   LYS 924          HB2       LYS 924  -5.588 -10.867   6.335
   33   1HG   LYS 924          HG1       LYS 924  -8.050  -9.307   7.033
   34   2HG   LYS 924          HG2       LYS 924  -7.049 -10.056   8.277
   35   1HD   LYS 924          HD1       LYS 924  -5.177  -8.743   7.699
   36   2HD   LYS 924          HD2       LYS 924  -5.908  -8.231   6.179
   37   1HE   LYS 924          HE1       LYS 924  -5.962  -6.428   7.792
   38   2HE   LYS 924          HE2       LYS 924  -7.597  -6.971   7.425
   39   1HZ   LYS 924          HZ1       LYS 924  -7.648  -8.182   9.497
   40   2HZ   LYS 924          HZ2       LYS 924  -6.041  -7.747   9.836
   41   3HZ   LYS 924          HZ3       LYS 924  -7.247  -6.561   9.786
   42    H    VAL 925           H        VAL 925  -5.329 -11.555   3.318
   43    HA   VAL 925           HA       VAL 925  -3.422  -9.511   3.055
   44    HB   VAL 925           HB       VAL 925  -2.695 -10.836   1.032
   45   1HG1  VAL 925          1HG1      VAL 925  -1.751 -11.248   3.242
   46   2HG1  VAL 925          2HG1      VAL 925  -3.090 -12.329   3.629
   47   3HG1  VAL 925          3HG1      VAL 925  -1.941 -12.763   2.362
   48   1HG2  VAL 925          1HG2      VAL 925  -3.734 -13.070   0.773
   49   2HG2  VAL 925          2HG2      VAL 925  -5.017 -12.559   1.870
   50   3HG2  VAL 925          3HG2      VAL 925  -4.797 -11.737   0.327
   51    H    TYR 926           H        TYR 926  -6.064 -10.545   0.791
   52    HA   TYR 926           HA       TYR 926  -5.344  -8.431  -1.068
   53   1HB   TYR 926          HB1       TYR 926  -6.175 -10.463  -2.004
   54   2HB   TYR 926          HB2       TYR 926  -7.559 -10.486  -0.924
   55    HD1  TYR 926           HD1      TYR 926  -9.585  -9.533  -1.555
   56    HD2  TYR 926           HD2      TYR 926  -6.089  -8.703  -3.830
   57    HE1  TYR 926           HE1      TYR 926 -10.974  -8.499  -3.301
   58    HE2  TYR 926           HE2      TYR 926  -7.467  -7.662  -5.582
   59    HH   TYR 926           HH       TYR 926  -9.845  -7.845  -6.391
   60    H    GLU 927           H        GLU 927  -7.561  -9.064   1.485
   61    HA   GLU 927           HA       GLU 927  -9.395  -6.969   1.055
   62   1HB   GLU 927          HB1       GLU 927  -8.668  -8.690   3.403
   63   2HB   GLU 927          HB2       GLU 927  -9.883  -7.433   3.538
   64   1HG   GLU 927          HG1       GLU 927 -11.111  -8.514   1.661
   65   2HG   GLU 927          HG2       GLU 927  -9.930  -9.822   1.714
   66    H    ASN 928           H        ASN 928  -6.573  -7.228   3.210
   67    HA   ASN 928           HA       ASN 928  -7.023  -4.629   4.298
   68   1HB   ASN 928          HB1       ASN 928  -5.800  -6.650   5.365
   69   2HB   ASN 928          HB2       ASN 928  -4.392  -6.026   4.508
   70   1HD2  ASN 928          2HD2      ASN 928  -3.483  -5.749   6.568
   71   2HD2  ASN 928          1HD2      ASN 928  -3.850  -4.342   7.504
   72    H    VAL 929           H        VAL 929  -4.974  -5.865   1.694
   73    HA   VAL 929           HA       VAL 929  -3.575  -3.437   1.318
   74    HB   VAL 929           HB       VAL 929  -4.321  -5.369  -0.889
   75   1HG1  VAL 929          1HG1      VAL 929  -3.634  -3.150  -1.644
   76   2HG1  VAL 929          2HG1      VAL 929  -2.172  -3.263  -0.664
   77   3HG1  VAL 929          3HG1      VAL 929  -2.408  -4.358  -2.026
   78   1HG2  VAL 929          1HG2      VAL 929  -2.099  -6.310  -0.560
   79   2HG2  VAL 929          2HG2      VAL 929  -1.842  -5.242   0.821
   80   3HG2  VAL 929          3HG2      VAL 929  -3.084  -6.492   0.891
   81    H    THR 930           H        THR 930  -6.604  -4.609  -0.213
   82    HA   THR 930           HA       THR 930  -7.508  -2.303  -1.348
   83    HB   THR 930           HB       THR 930  -9.162  -4.103   0.443
   84    HG1  THR 930           HG1      THR 930  -8.307  -5.423  -1.101
   85   1HG2  THR 930          1HG2      THR 930 -11.048  -3.395  -0.952
   86   2HG2  THR 930          2HG2      THR 930 -10.300  -2.012  -0.153
   87   3HG2  THR 930          3HG2      THR 930  -9.980  -2.323  -1.859
   88    H    GLY 931           H        GLY 931  -7.017  -2.983   2.004
   89   1HA   GLY 931          HA1       GLY 931  -8.479  -0.783   3.102
   90   2HA   GLY 931          HA2       GLY 931  -7.271  -1.755   3.934
   91    H    LEU 932           H        LEU 932  -5.197  -1.227   1.877
   92    HA   LEU 932           HA       LEU 932  -4.152   1.229   2.822
   93   1HB   LEU 932          HB1       LEU 932  -2.887  -0.726   1.734
   94   2HB   LEU 932          HB2       LEU 932  -3.431  -0.078   0.199
   95    HG   LEU 932           HG       LEU 932  -1.800   1.549   2.152
   96   1HD1  LEU 932          1HD1      LEU 932   0.161   0.992   0.812
   97   2HD1  LEU 932          2HD1      LEU 932  -0.533  -0.447   1.561
   98   3HD1  LEU 932          3HD1      LEU 932  -0.809  -0.123  -0.150
   99   1HD2  LEU 932          1HD2      LEU 932  -2.986   2.838   0.454
  100   2HD2  LEU 932          2HD2      LEU 932  -1.245   2.866   0.163
  101   3HD2  LEU 932          3HD2      LEU 932  -2.286   1.830  -0.814
  102    H    VAL 933           H        VAL 933  -5.771   0.275  -0.189
  103    HA   VAL 933           HA       VAL 933  -6.031   2.786  -1.367
  104    HB   VAL 933           HB       VAL 933  -8.120   0.602  -1.427
  105   1HG1  VAL 933          1HG1      VAL 933  -8.669   1.521  -3.628
  106   2HG1  VAL 933          2HG1      VAL 933  -8.881   2.721  -2.354
  107   3HG1  VAL 933          3HG1      VAL 933  -7.463   2.787  -3.400
  108   1HG2  VAL 933          1HG2      VAL 933  -5.904  -0.295  -1.973
  109   2HG2  VAL 933          2HG2      VAL 933  -6.961  -0.275  -3.385
  110   3HG2  VAL 933          3HG2      VAL 933  -5.707   0.952  -3.205
  111    H    LYS 934           H        LYS 934  -8.119   1.136   0.916
  112    HA   LYS 934           HA       LYS 934 -10.114   3.050   1.238
  113   1HB   LYS 934          HB1       LYS 934  -9.021   1.297   3.445
  114   2HB   LYS 934          HB2       LYS 934 -10.588   2.082   3.425
  115   1HG   LYS 934          HG1       LYS 934  -9.687  -0.125   1.583
  116   2HG   LYS 934          HG2       LYS 934 -10.771  -0.295   2.958
  117   1HD   LYS 934          HD1       LYS 934 -12.274  -0.185   1.224
  118   2HD   LYS 934          HD2       LYS 934 -12.179   1.516   1.683
  119   1HE   LYS 934          HE1       LYS 934 -10.654   1.973  -0.119
  120   2HE   LYS 934          HE2       LYS 934 -10.541   0.259  -0.515
  121   1HZ   LYS 934          HZ1       LYS 934 -12.031   1.429  -2.024
  122   2HZ   LYS 934          HZ2       LYS 934 -12.876   0.271  -1.118
  123   3HZ   LYS 934          HZ3       LYS 934 -13.002   1.912  -0.721
  124    H    ALA 935           H        ALA 935  -7.017   2.760   2.949
  125    HA   ALA 935           HA       ALA 935  -7.544   5.047   4.593
  126   1HB   ALA 935          HB1       ALA 935  -6.180   3.200   5.407
  127   2HB   ALA 935          HB2       ALA 935  -4.967   3.553   4.175
  128   3HB   ALA 935          HB3       ALA 935  -5.298   4.727   5.448
  129    H    VAL 936           H        VAL 936  -5.908   4.541   1.505
  130    HA   VAL 936           HA       VAL 936  -4.898   7.237   1.531
  131    HB   VAL 936           HB       VAL 936  -3.792   5.431   0.188
  132   1HG1  VAL 936          1HG1      VAL 936  -4.668   4.829  -1.977
  133   2HG1  VAL 936          2HG1      VAL 936  -5.849   4.432  -0.730
  134   3HG1  VAL 936          3HG1      VAL 936  -6.077   5.863  -1.730
  135   1HG2  VAL 936          1HG2      VAL 936  -4.635   7.903  -1.321
  136   2HG2  VAL 936          2HG2      VAL 936  -3.282   7.773  -0.198
  137   3HG2  VAL 936          3HG2      VAL 936  -3.257   6.876  -1.717
  138    H    ILE 937           H        ILE 937  -7.874   5.704   0.819
  139    HA   ILE 937           HA       ILE 937  -9.078   7.838  -0.617
  140    HB   ILE 937           HB       ILE 937 -10.280   5.701   1.147
  141   1HG1  ILE 937          1HG1      ILE 937  -9.379   4.895  -0.963
  142   2HG1  ILE 937          2HG1      ILE 937 -11.137   4.827  -1.001
  143   1HG2  ILE 937          1HG2      ILE 937 -11.721   7.660   1.268
  144   2HG2  ILE 937          2HG2      ILE 937 -11.764   7.750  -0.493
  145   3HG2  ILE 937          3HG2      ILE 937 -12.485   6.371   0.336
  146   1HD1  ILE 937          1HD1      ILE 937  -9.436   6.958  -2.271
  147   2HD1  ILE 937          2HD1      ILE 937 -10.211   5.613  -3.109
  148   3HD1  ILE 937          3HD1      ILE 937 -11.196   6.855  -2.337
  149    H    GLU 938           H        GLU 938  -8.322   7.228   2.718
  150    HA   GLU 938           HA       GLU 938  -9.756   9.354   3.913
  151   1HB   GLU 938          HB1       GLU 938  -7.035   8.256   4.689
  152   2HB   GLU 938          HB2       GLU 938  -8.080   9.238   5.708
  153   1HG   GLU 938          HG1       GLU 938  -8.691   6.466   4.699
  154   2HG   GLU 938          HG2       GLU 938  -8.218   6.906   6.341
  155    H    MET 939           H        MET 939  -6.493   9.081   2.643
  156    HA   MET 939           HA       MET 939  -5.676  11.728   2.793
  157   1HB   MET 939          HB1       MET 939  -4.125   9.997   2.187
  158   2HB   MET 939          HB2       MET 939  -5.048   9.598   0.746
  159   1HG   MET 939          HG1       MET 939  -4.487  11.787  -0.203
  160   2HG   MET 939          HG2       MET 939  -3.533  12.153   1.233
  161   1HE   MET 939          HE1       MET 939  -1.499  12.705  -0.474
  162   2HE   MET 939          HE2       MET 939  -0.900  11.543  -1.655
  163   3HE   MET 939          HE3       MET 939  -2.513  12.232  -1.839
  164    H    SER 940           H        SER 940  -7.651  10.125   0.359
  165    HA   SER 940           HA       SER 940  -7.734  12.286  -1.462
  166   1HB   SER 940          HB1       SER 940  -9.768  10.073  -1.091
  167   2HB   SER 940          HB2       SER 940  -9.555  11.076  -2.527
  168    HG   SER 940           HG       SER 940  -7.420   9.534  -1.504
  169    H    SER 941           H        SER 941  -9.779  11.378   1.284
  170    HA   SER 941           HA       SER 941 -11.774  13.385   0.696
  171   1HB   SER 941          HB1       SER 941 -12.343  11.271   1.877
  172   2HB   SER 941          HB2       SER 941 -11.305  11.757   3.214
  173    HG   SER 941           HG       SER 941 -13.798  12.235   3.069
  174    H    LYS 942           H        LYS 942  -9.160  12.843   2.920
  175    HA   LYS 942           HA       LYS 942  -9.129  15.059   4.498
  176   1HB   LYS 942          HB1       LYS 942  -7.206  13.111   3.507
  177   2HB   LYS 942          HB2       LYS 942  -6.468  14.670   3.840
  178   1HG   LYS 942          HG1       LYS 942  -8.202  13.239   5.824
  179   2HG   LYS 942          HG2       LYS 942  -6.452  13.010   5.723
  180   1HD   LYS 942          HD1       LYS 942  -6.123  15.404   6.036
  181   2HD   LYS 942          HD2       LYS 942  -7.871  15.628   6.146
  182   1HE   LYS 942          HE1       LYS 942  -6.227  13.915   8.014
  183   2HE   LYS 942          HE2       LYS 942  -6.735  15.567   8.360
  184   1HZ   LYS 942          HZ1       LYS 942  -9.053  14.821   8.149
  185   2HZ   LYS 942          HZ2       LYS 942  -8.518  13.221   7.935
  186   3HZ   LYS 942          HZ3       LYS 942  -8.230  14.027   9.401
  187    H    ILE 943           H        ILE 943  -7.533  14.740   1.323
  188    HA   ILE 943           HA       ILE 943  -6.497  17.361   1.379
  189    HB   ILE 943           HB       ILE 943  -5.526  15.520   0.022
  190   1HG1  ILE 943          1HG1      ILE 943  -6.278  17.977  -1.574
  191   2HG1  ILE 943          2HG1      ILE 943  -4.966  17.894  -0.403
  192   1HG2  ILE 943          1HG2      ILE 943  -7.571  14.560  -0.864
  193   2HG2  ILE 943          2HG2      ILE 943  -7.871  16.026  -1.799
  194   3HG2  ILE 943          3HG2      ILE 943  -6.477  15.012  -2.173
  195   1HD1  ILE 943          1HD1      ILE 943  -5.154  16.295  -2.945
  196   2HD1  ILE 943          2HD1      ILE 943  -4.150  17.723  -2.690
  197   3HD1  ILE 943          3HD1      ILE 943  -3.830  16.244  -1.783
  198    H    GLN 944           H        GLN 944  -9.587  16.110   0.353
  199    HA   GLN 944           HA       GLN 944 -10.359  18.001  -1.502
  200   1HB   GLN 944          HB1       GLN 944 -12.055  16.623   0.578
  201   2HB   GLN 944          HB2       GLN 944 -12.712  17.590  -0.737
  202   1HG   GLN 944          HG1       GLN 944 -11.080  15.076  -0.986
  203   2HG   GLN 944          HG2       GLN 944 -12.805  15.253  -1.302
  204   1HE2  GLN 944          2HE2      GLN 944 -10.625  14.363  -3.053
  205   2HE2  GLN 944          1HE2      GLN 944 -10.670  15.411  -4.431
  206    HA   PRO 945           HA       PRO 945 -11.357  21.261   1.656
  207   1HB   PRO 945          HB1       PRO 945 -12.083  20.747   4.174
  208   2HB   PRO 945          HB2       PRO 945 -13.168  20.420   2.818
  209   1HG   PRO 945          HG1       PRO 945 -11.681  18.533   4.525
  210   2HG   PRO 945          HG2       PRO 945 -13.141  18.269   3.560
  211   1HD   PRO 945          HD1       PRO 945 -10.400  17.648   2.884
  212   2HD   PRO 945          HD2       PRO 945 -11.872  17.293   1.959
  213    H    ALA 946           H        ALA 946  -8.749  19.458   2.000
  214    HA   ALA 946           HA       ALA 946  -7.685  20.241   4.531
  215   1HB   ALA 946          HB1       ALA 946  -5.645  19.160   3.820
  216   2HB   ALA 946          HB2       ALA 946  -7.038  18.152   3.429
  217   3HB   ALA 946          HB3       ALA 946  -6.239  19.080   2.161
  218    HA   PRO 947           HA       PRO 947  -5.197  23.761   3.167
  219   1HB   PRO 947          HB1       PRO 947  -4.312  24.431   5.600
  220   2HB   PRO 947          HB2       PRO 947  -5.969  24.811   5.115
  221   1HG   PRO 947          HG1       PRO 947  -4.964  22.597   6.853
  222   2HG   PRO 947          HG2       PRO 947  -6.414  23.601   7.042
  223   1HD   PRO 947          HD1       PRO 947  -6.374  21.044   5.964
  224   2HD   PRO 947          HD2       PRO 947  -7.655  22.243   5.696
  225    HA   PRO 948           HA       PRO 948  -1.077  21.930   3.109
  226   1HB   PRO 948          HB1       PRO 948   0.385  23.594   4.830
  227   2HB   PRO 948          HB2       PRO 948   0.220  23.791   3.083
  228   1HG   PRO 948          HG1       PRO 948  -1.263  25.134   5.293
  229   2HG   PRO 948          HG2       PRO 948  -0.756  25.783   3.721
  230   1HD   PRO 948          HD1       PRO 948  -3.307  25.124   4.179
  231   2HD   PRO 948          HD2       PRO 948  -2.549  24.798   2.604
  232    H    GLU 949           H        GLU 949  -2.182  23.014   6.221
  233    HA   GLU 949           HA       GLU 949  -0.623  21.449   7.905
  234   1HB   GLU 949          HB1       GLU 949  -3.449  22.426   8.303
  235   2HB   GLU 949          HB2       GLU 949  -2.371  21.872   9.577
  236   1HG   GLU 949          HG1       GLU 949  -2.041  24.306   7.844
  237   2HG   GLU 949          HG2       GLU 949  -2.400  24.260   9.569
  238    H    GLU 950           H        GLU 950  -3.110  20.490   5.767
  239    HA   GLU 950           HA       GLU 950  -3.374  17.966   7.240
  240   1HB   GLU 950          HB1       GLU 950  -5.407  19.541   5.816
  241   2HB   GLU 950          HB2       GLU 950  -5.425  17.810   5.487
  242   1HG   GLU 950          HG1       GLU 950  -6.924  18.135   7.253
  243   2HG   GLU 950          HG2       GLU 950  -5.472  17.457   7.980
  244    H    TYR 951           H        TYR 951  -2.135  19.388   4.442
  245    HA   TYR 951           HA       TYR 951  -2.245  17.260   2.621
  246   1HB   TYR 951          HB1       TYR 951  -0.233  19.407   3.154
  247   2HB   TYR 951          HB2       TYR 951   0.162  18.105   2.043
  248    HD1  TYR 951           HD1      TYR 951  -2.299  20.809   2.661
  249    HD2  TYR 951           HD2      TYR 951  -0.527  18.183  -0.163
  250    HE1  TYR 951           HE1      TYR 951  -3.358  22.065   0.845
  251    HE2  TYR 951           HE2      TYR 951  -1.584  19.421  -1.991
  252    HH   TYR 951           HH       TYR 951  -2.975  22.477  -1.591
  253    H    VAL 952           H        VAL 952  -0.069  17.927   5.318
  254    HA   VAL 952           HA       VAL 952   1.348  15.485   4.871
  255    HB   VAL 952           HB       VAL 952   2.844  16.816   5.897
  256   1HG1  VAL 952          1HG1      VAL 952   2.320  18.450   7.694
  257   2HG1  VAL 952          2HG1      VAL 952   1.449  18.743   6.192
  258   3HG1  VAL 952          3HG1      VAL 952   0.621  18.005   7.564
  259   1HG2  VAL 952          1HG2      VAL 952   3.131  16.280   8.274
  260   2HG2  VAL 952          2HG2      VAL 952   1.487  15.643   8.332
  261   3HG2  VAL 952          3HG2      VAL 952   2.704  14.854   7.330
  262    HA   PRO 953           HA       PRO 953  -1.416  13.763   8.596
  263   1HB   PRO 953          HB1       PRO 953  -3.740  15.527   8.026
  264   2HB   PRO 953          HB2       PRO 953  -3.241  14.779   9.551
  265   1HG   PRO 953          HG1       PRO 953  -2.755  17.333   9.156
  266   2HG   PRO 953          HG2       PRO 953  -1.496  16.300   9.868
  267   1HD   PRO 953          HD1       PRO 953  -1.736  17.336   7.066
  268   2HD   PRO 953          HD2       PRO 953  -0.295  17.185   8.091
  269    H    MET 954           H        MET 954  -2.660  14.914   5.455
  270    HA   MET 954           HA       MET 954  -4.594  12.840   5.226
  271   1HB   MET 954          HB1       MET 954  -4.886  13.477   2.956
  272   2HB   MET 954          HB2       MET 954  -4.560  14.960   3.838
  273   1HG   MET 954          HG1       MET 954  -2.240  14.893   3.070
  274   2HG   MET 954          HG2       MET 954  -2.591  13.422   2.165
  275   1HE   MET 954          HE1       MET 954  -1.671  14.464  -0.060
  276   2HE   MET 954          HE2       MET 954  -2.147  16.051  -0.667
  277   3HE   MET 954          HE3       MET 954  -1.242  15.917   0.842
  278    H    VAL 955           H        VAL 955  -1.289  13.214   4.067
  279    HA   VAL 955           HA       VAL 955  -1.124  10.569   3.037
  280    HB   VAL 955           HB       VAL 955   1.128  12.438   3.837
  281   1HG1  VAL 955          1HG1      VAL 955   2.527  11.046   2.393
  282   2HG1  VAL 955          2HG1      VAL 955   1.881  10.124   3.752
  283   3HG1  VAL 955          3HG1      VAL 955   1.173   9.943   2.146
  284   1HG2  VAL 955          1HG2      VAL 955  -0.362  13.332   2.100
  285   2HG2  VAL 955          2HG2      VAL 955   1.242  12.966   1.465
  286   3HG2  VAL 955          3HG2      VAL 955  -0.107  11.877   1.139
  287    H    LYS 956           H        LYS 956  -0.817  11.971   6.176
  288    HA   LYS 956           HA       LYS 956   0.525   9.910   7.534
  289   1HB   LYS 956          HB1       LYS 956  -0.105  12.023   8.617
  290   2HB   LYS 956          HB2       LYS 956  -1.806  11.603   8.458
  291   1HG   LYS 956          HG1       LYS 956  -1.443   9.678   9.950
  292   2HG   LYS 956          HG2       LYS 956   0.233  10.195  10.163
  293   1HD   LYS 956          HD1       LYS 956  -0.434  12.209  11.228
  294   2HD   LYS 956          HD2       LYS 956  -2.119  11.976  10.755
  295   1HE   LYS 956          HE1       LYS 956  -0.568  10.240  12.674
  296   2HE   LYS 956          HE2       LYS 956  -1.763  11.458  13.119
  297   1HZ   LYS 956          HZ1       LYS 956  -2.240   8.952  11.600
  298   2HZ   LYS 956          HZ2       LYS 956  -2.813   9.336  13.148
  299   3HZ   LYS 956          HZ3       LYS 956  -3.406  10.172  11.798
  300    H    GLU 957           H        GLU 957  -2.959  10.302   6.835
  301    HA   GLU 957           HA       GLU 957  -3.933   7.925   7.658
  302   1HB   GLU 957          HB1       GLU 957  -4.671   9.183   5.010
  303   2HB   GLU 957          HB2       GLU 957  -5.690   8.172   6.023
  304   1HG   GLU 957          HG1       GLU 957  -4.653  10.894   6.779
  305   2HG   GLU 957          HG2       GLU 957  -6.264  10.554   6.152
  306    H    VAL 958           H        VAL 958  -2.415   8.451   4.422
  307    HA   VAL 958           HA       VAL 958  -2.649   5.690   3.739
  308    HB   VAL 958           HB       VAL 958  -2.311   7.604   2.084
  309   1HG1  VAL 958          1HG1      VAL 958  -0.012   8.094   1.435
  310   2HG1  VAL 958          2HG1      VAL 958  -0.345   8.615   3.086
  311   3HG1  VAL 958          3HG1      VAL 958   0.576   7.139   2.796
  312   1HG2  VAL 958          1HG2      VAL 958  -0.673   5.090   1.829
  313   2HG2  VAL 958          2HG2      VAL 958  -2.376   5.290   1.407
  314   3HG2  VAL 958          3HG2      VAL 958  -1.134   6.148   0.492
  315    H    GLY 959           H        GLY 959  -0.372   7.499   5.611
  316   1HA   GLY 959          HA1       GLY 959   1.713   5.605   5.745
  317   2HA   GLY 959          HA2       GLY 959   1.296   6.755   7.008
  318    H    LEU 960           H        LEU 960  -1.294   5.945   7.591
  319    HA   LEU 960           HA       LEU 960  -0.902   3.582   9.147
  320   1HB   LEU 960          HB1       LEU 960  -2.363   5.462   9.837
  321   2HB   LEU 960          HB2       LEU 960  -3.448   5.080   8.514
  322    HG   LEU 960           HG       LEU 960  -3.801   2.825   9.561
  323   1HD1  LEU 960          1HD1      LEU 960  -2.341   4.093  11.872
  324   2HD1  LEU 960          2HD1      LEU 960  -3.209   2.558  11.916
  325   3HD1  LEU 960          3HD1      LEU 960  -1.776   2.733  10.904
  326   1HD2  LEU 960          1HD2      LEU 960  -4.546   5.241  11.199
  327   2HD2  LEU 960          2HD2      LEU 960  -5.427   4.610   9.808
  328   3HD2  LEU 960          3HD2      LEU 960  -5.322   3.659  11.289
  329    H    ALA 961           H        ALA 961  -1.505   4.051   5.958
  330    HA   ALA 961           HA       ALA 961  -3.484   1.977   5.509
  331   1HB   ALA 961          HB1       ALA 961  -3.410   3.888   3.988
  332   2HB   ALA 961          HB2       ALA 961  -1.763   3.465   3.524
  333   3HB   ALA 961          HB3       ALA 961  -3.098   2.383   3.124
  334    H    LEU 962           H        LEU 962  -0.052   2.433   4.542
  335    HA   LEU 962           HA       LEU 962   0.288  -0.378   4.128
  336   1HB   LEU 962          HB1       LEU 962   1.618   1.169   2.836
  337   2HB   LEU 962          HB2       LEU 962   2.269   1.888   4.306
  338    HG   LEU 962           HG       LEU 962   3.377  -0.283   4.831
  339   1HD1  LEU 962          1HD1      LEU 962   1.905  -1.756   3.592
  340   2HD1  LEU 962          2HD1      LEU 962   2.425  -1.026   2.071
  341   3HD1  LEU 962          3HD1      LEU 962   3.572  -1.945   3.046
  342   1HD2  LEU 962          1HD2      LEU 962   4.087   0.928   2.166
  343   2HD2  LEU 962          2HD2      LEU 962   4.595   1.527   3.745
  344   3HD2  LEU 962          3HD2      LEU 962   5.151  -0.049   3.179
  345    H    ARG 963           H        ARG 963   0.370   1.671   6.874
  346    HA   ARG 963           HA       ARG 963   2.120   0.194   8.529
  347   1HB   ARG 963          HB1       ARG 963   1.198   2.490   9.028
  348   2HB   ARG 963          HB2       ARG 963  -0.331   1.722   9.427
  349   1HG   ARG 963          HG1       ARG 963   0.610   1.953  11.500
  350   2HG   ARG 963          HG2       ARG 963   1.123   0.321  11.075
  351   1HD   ARG 963          HD1       ARG 963   2.761   2.844  10.843
  352   2HD   ARG 963          HD2       ARG 963   2.973   1.562  12.032
  353    HE   ARG 963           HE       ARG 963   3.220   0.776   9.248
  354   1HH1  ARG 963          2HH1      ARG 963   4.826   1.714  12.199
  355   2HH1  ARG 963          1HH1      ARG 963   6.382   1.122  11.699
  356   1HH2  ARG 963          2HH2      ARG 963   5.239  -0.031   8.577
  357   2HH2  ARG 963          1HH2      ARG 963   6.614   0.104   9.638
  358    H    THR 964           H        THR 964  -1.447   0.264   8.758
  359    HA   THR 964           HA       THR 964  -1.765  -2.143  10.068
  360    HB   THR 964           HB       THR 964  -3.724  -1.050   8.049
  361    HG1  THR 964           HG1      THR 964  -3.597   0.727   9.205
  362   1HG2  THR 964          1HG2      THR 964  -5.389  -1.877   9.667
  363   2HG2  THR 964          2HG2      THR 964  -4.352  -3.172   9.076
  364   3HG2  THR 964          3HG2      THR 964  -4.086  -2.495  10.682
  365    H    LEU 965           H        LEU 965  -0.894  -1.585   6.814
  366    HA   LEU 965           HA       LEU 965  -1.906  -4.069   5.762
  367   1HB   LEU 965          HB1       LEU 965  -1.631  -2.084   4.320
  368   2HB   LEU 965          HB2       LEU 965   0.103  -2.163   4.571
  369    HG   LEU 965           HG       LEU 965   0.266  -4.231   3.384
  370   1HD1  LEU 965          1HD1      LEU 965  -1.782  -5.268   4.218
  371   2HD1  LEU 965          2HD1      LEU 965  -2.745  -4.177   3.220
  372   3HD1  LEU 965          3HD1      LEU 965  -1.686  -5.366   2.460
  373   1HD2  LEU 965          1HD2      LEU 965   0.165  -2.192   2.031
  374   2HD2  LEU 965          2HD2      LEU 965  -0.517  -3.578   1.180
  375   3HD2  LEU 965          3HD2      LEU 965  -1.584  -2.371   1.901
  376    H    LEU 966           H        LEU 966   1.166  -2.750   6.869
  377    HA   LEU 966           HA       LEU 966   2.844  -4.909   6.527
  378   1HB   LEU 966          HB1       LEU 966   3.556  -2.739   7.441
  379   2HB   LEU 966          HB2       LEU 966   2.703  -3.084   8.933
  380    HG   LEU 966           HG       LEU 966   4.228  -5.017   9.306
  381   1HD1  LEU 966          1HD1      LEU 966   5.657  -3.899   6.901
  382   2HD1  LEU 966          2HD1      LEU 966   6.301  -5.126   7.991
  383   3HD1  LEU 966          3HD1      LEU 966   4.870  -5.472   7.019
  384   1HD2  LEU 966          1HD2      LEU 966   4.671  -2.912  10.403
  385   2HD2  LEU 966          2HD2      LEU 966   6.192  -3.649   9.899
  386   3HD2  LEU 966          3HD2      LEU 966   5.514  -2.311   8.974
  387    H    ALA 967           H        ALA 967   0.343  -4.454   8.984
  388    HA   ALA 967           HA       ALA 967   0.858  -6.728  10.533
  389   1HB   ALA 967          HB1       ALA 967  -1.491  -6.653  11.178
  390   2HB   ALA 967          HB2       ALA 967  -0.805  -5.028  11.144
  391   3HB   ALA 967          HB3       ALA 967  -1.842  -5.575   9.826
  392    H    THR 968           H        THR 968  -1.332  -6.427   7.720
  393    HA   THR 968           HA       THR 968  -1.756  -9.143   7.290
  394    HB   THR 968           HB       THR 968  -1.678  -6.831   5.371
  395    HG1  THR 968           HG1      THR 968  -3.985  -8.244   5.634
  396   1HG2  THR 968          1HG2      THR 968  -2.450  -9.681   4.755
  397   2HG2  THR 968          2HG2      THR 968  -2.671  -8.295   3.687
  398   3HG2  THR 968          3HG2      THR 968  -1.044  -8.829   4.113
  399    H    VAL 969           H        VAL 969   0.911  -7.108   6.034
  400    HA   VAL 969           HA       VAL 969   2.256  -9.011   4.568
  401    HB   VAL 969           HB       VAL 969   3.466  -6.868   6.326
  402   1HG1  VAL 969          1HG1      VAL 969   5.145  -8.532   5.768
  403   2HG1  VAL 969          2HG1      VAL 969   4.706  -8.434   4.063
  404   3HG1  VAL 969          3HG1      VAL 969   5.437  -7.046   4.866
  405   1HG2  VAL 969          1HG2      VAL 969   3.582  -5.562   4.263
  406   2HG2  VAL 969          2HG2      VAL 969   2.798  -6.875   3.384
  407   3HG2  VAL 969          3HG2      VAL 969   1.919  -6.008   4.645
  408    H    ASP 970           H        ASP 970   2.100  -8.659   8.057
  409    HA   ASP 970           HA       ASP 970   4.084 -10.610   8.644
  410   1HB   ASP 970          HB1       ASP 970   3.473  -9.028  10.363
  411   2HB   ASP 970          HB2       ASP 970   1.789  -9.533  10.293
  412    H    GLU 971           H        GLU 971   0.628 -10.834   8.020
  413    HA   GLU 971           HA       GLU 971   0.292 -13.554   8.651
  414   1HB   GLU 971          HB1       GLU 971  -0.950 -12.067   6.319
  415   2HB   GLU 971          HB2       GLU 971  -1.573 -13.521   7.083
  416   1HG   GLU 971          HG1       GLU 971  -1.236 -10.949   8.580
  417   2HG   GLU 971          HG2       GLU 971  -2.699 -11.315   7.649
  418    H    SER 972           H        SER 972   1.001 -12.005   5.567
  419    HA   SER 972           HA       SER 972   1.521 -14.396   4.180
  420   1HB   SER 972          HB1       SER 972   0.759 -12.457   2.979
  421   2HB   SER 972          HB2       SER 972   2.190 -11.536   3.488
  422    HG   SER 972           HG       SER 972   3.389 -13.316   2.378
  423    H    LEU 973           H        LEU 973   3.549 -12.495   6.245
  424    HA   LEU 973           HA       LEU 973   6.035 -13.041   5.046
  425   1HB   LEU 973          HB1       LEU 973   5.680 -11.309   6.771
  426   2HB   LEU 973          HB2       LEU 973   5.464 -12.562   7.978
  427    HG   LEU 973           HG       LEU 973   7.792 -13.300   7.618
  428   1HD1  LEU 973          1HD1      LEU 973   9.315 -11.918   6.301
  429   2HD1  LEU 973          2HD1      LEU 973   8.037 -12.594   5.291
  430   3HD1  LEU 973          3HD1      LEU 973   7.965 -10.905   5.790
  431   1HD2  LEU 973          1HD2      LEU 973   8.874 -11.366   8.663
  432   2HD2  LEU 973          2HD2      LEU 973   7.489 -10.363   8.236
  433   3HD2  LEU 973          3HD2      LEU 973   7.296 -11.693   9.378
  434    HA   PRO 974           HA       PRO 974   6.401 -17.123   7.658
  435   1HB   PRO 974          HB1       PRO 974   3.534 -17.667   8.205
  436   2HB   PRO 974          HB2       PRO 974   4.950 -17.986   9.214
  437   1HG   PRO 974          HG1       PRO 974   3.274 -16.004   9.806
  438   2HG   PRO 974          HG2       PRO 974   5.026 -15.816  10.025
  439   1HD   PRO 974          HD1       PRO 974   3.265 -14.787   7.831
  440   2HD   PRO 974          HD2       PRO 974   4.606 -13.981   8.669
  441    H    VAL 975           H        VAL 975   3.640 -16.151   5.759
  442    HA   VAL 975           HA       VAL 975   3.465 -18.621   4.281
  443    HB   VAL 975           HB       VAL 975   2.418 -15.894   3.456
  444   1HG1  VAL 975          1HG1      VAL 975   0.731 -17.162   2.250
  445   2HG1  VAL 975          2HG1      VAL 975   2.351 -17.566   1.686
  446   3HG1  VAL 975          3HG1      VAL 975   1.488 -18.671   2.755
  447   1HG2  VAL 975          1HG2      VAL 975   0.329 -16.554   4.557
  448   2HG2  VAL 975          2HG2      VAL 975   1.119 -18.008   5.170
  449   3HG2  VAL 975          3HG2      VAL 975   1.662 -16.417   5.703
  450    H    LEU 976           H        LEU 976   5.591 -16.028   4.300
  451    HA   LEU 976           HA       LEU 976   6.447 -16.019   1.596
  452   1HB   LEU 976          HB1       LEU 976   6.891 -14.039   2.656
  453   2HB   LEU 976          HB2       LEU 976   7.408 -14.801   4.141
  454    HG   LEU 976           HG       LEU 976   9.138 -14.946   1.688
  455   1HD1  LEU 976          1HD1      LEU 976   8.554 -12.588   1.973
  456   2HD1  LEU 976          2HD1      LEU 976   9.031 -12.674   3.667
  457   3HD1  LEU 976          3HD1      LEU 976  10.238 -12.889   2.400
  458   1HD2  LEU 976          1HD2      LEU 976   9.731 -14.869   4.645
  459   2HD2  LEU 976          2HD2      LEU 976   9.788 -16.297   3.612
  460   3HD2  LEU 976          3HD2      LEU 976  10.932 -14.979   3.357
  461    HA   PRO 977           HA       PRO 977  10.152 -18.788   3.050
  462   1HB   PRO 977          HB1       PRO 977   9.075 -20.161   5.431
  463   2HB   PRO 977          HB2       PRO 977  10.685 -19.484   5.156
  464   1HG   PRO 977          HG1       PRO 977   8.947 -18.315   6.816
  465   2HG   PRO 977          HG2       PRO 977  10.047 -17.362   5.802
  466   1HD   PRO 977          HD1       PRO 977   7.142 -17.961   5.403
  467   2HD   PRO 977          HD2       PRO 977   8.020 -16.440   5.155
  468    H    ALA 978           H        ALA 978   6.798 -19.586   3.618
  469    HA   ALA 978           HA       ALA 978   6.875 -22.231   2.670
  470   1HB   ALA 978          HB1       ALA 978   4.948 -21.298   3.830
  471   2HB   ALA 978          HB2       ALA 978   4.635 -20.230   2.462
  472   3HB   ALA 978          HB3       ALA 978   4.488 -21.976   2.269
  473    H    SER 979           H        SER 979   5.944 -19.260   0.827
  474    HA   SER 979           HA       SER 979   7.338 -20.172  -1.515
  475   1HB   SER 979          HB1       SER 979   4.305 -20.112  -1.650
  476   2HB   SER 979          HB2       SER 979   5.398 -20.404  -3.004
  477    HG   SER 979           HG       SER 979   6.108 -22.299  -1.904
  478    H    THR 980           H        THR 980   4.800 -18.002  -0.323
  479    HA   THR 980           HA       THR 980   4.677 -15.989  -2.120
  480    HB   THR 980           HB       THR 980   4.852 -15.465   0.842
  481    HG1  THR 980           HG1      THR 980   2.496 -15.822   0.628
  482   1HG2  THR 980          1HG2      THR 980   4.760 -13.453  -0.497
  483   2HG2  THR 980          2HG2      THR 980   3.395 -14.088  -1.414
  484   3HG2  THR 980          3HG2      THR 980   3.205 -13.700   0.296
  485    H    HIS 981           H        HIS 981   7.537 -16.641  -0.275
  486    HA   HIS 981           HA       HIS 981   8.658 -14.223   0.250
  487   1HB   HIS 981          HB1       HIS 981   9.768 -16.241   0.917
  488   2HB   HIS 981          HB2       HIS 981   9.986 -16.745  -0.750
  489    HD1  HIS 981           HD1      HIS 981  11.283 -14.127   1.677
  490    HD2  HIS 981           HD2      HIS 981  12.344 -16.004  -1.871
  491    HE1  HIS 981           HE1      HIS 981  13.639 -13.400   1.209
  492    HE2  HIS 981           HE2      HIS 981  14.339 -14.782  -0.780
  493    H    ARG 982           H        ARG 982   8.693 -15.822  -2.909
  494    HA   ARG 982           HA       ARG 982  10.339 -13.965  -4.203
  495   1HB   ARG 982          HB1       ARG 982   9.075 -14.653  -6.305
  496   2HB   ARG 982          HB2       ARG 982   9.849 -15.940  -5.390
  497   1HG   ARG 982          HG1       ARG 982   7.805 -16.710  -4.537
  498   2HG   ARG 982          HG2       ARG 982   6.955 -15.245  -5.026
  499   1HD   ARG 982          HD1       ARG 982   6.439 -17.145  -6.485
  500   2HD   ARG 982          HD2       ARG 982   7.222 -15.830  -7.358
  501    HE   ARG 982           HE       ARG 982   9.272 -17.498  -6.647
  502   1HH1  ARG 982          2HH1      ARG 982   6.241 -17.907  -8.351
  503   2HH1  ARG 982          1HH1      ARG 982   6.865 -19.129  -9.430
  504   1HH2  ARG 982          2HH2      ARG 982  10.087 -19.116  -8.042
  505   2HH2  ARG 982          1HH2      ARG 982   9.050 -19.819  -9.247
  506    H    GLU 983           H        GLU 983   6.717 -13.942  -4.152
  507    HA   GLU 983           HA       GLU 983   6.699 -11.441  -5.498
  508   1HB   GLU 983          HB1       GLU 983   4.817 -13.288  -5.398
  509   2HB   GLU 983          HB2       GLU 983   4.295 -12.354  -4.005
  510   1HG   GLU 983          HG1       GLU 983   3.129 -11.321  -5.679
  511   2HG   GLU 983          HG2       GLU 983   4.598 -10.329  -5.617
  512    H    ILE 984           H        ILE 984   5.935 -12.421  -2.149
  513    HA   ILE 984           HA       ILE 984   4.958  -9.989  -1.283
  514    HB   ILE 984           HB       ILE 984   4.869 -11.950   0.149
  515   1HG1  ILE 984          1HG1      ILE 984   6.387  -9.662   1.422
  516   2HG1  ILE 984          2HG1      ILE 984   4.645  -9.738   1.182
  517   1HG2  ILE 984          1HG2      ILE 984   7.828 -11.570   0.536
  518   2HG2  ILE 984          2HG2      ILE 984   6.806 -12.725   1.393
  519   3HG2  ILE 984          3HG2      ILE 984   7.053 -12.888  -0.346
  520   1HD1  ILE 984          1HD1      ILE 984   6.267 -11.559   2.945
  521   2HD1  ILE 984          2HD1      ILE 984   5.235 -10.232   3.481
  522   3HD1  ILE 984          3HD1      ILE 984   4.522 -11.645   2.702
  523    H    GLU 985           H        GLU 985   8.307 -11.009  -1.566
  524    HA   GLU 985           HA       GLU 985   9.373  -8.731  -0.262
  525   1HB   GLU 985          HB1       GLU 985  10.576 -10.847  -2.015
  526   2HB   GLU 985          HB2       GLU 985  11.524  -9.466  -1.476
  527   1HG   GLU 985          HG1       GLU 985  10.113 -11.435   0.309
  528   2HG   GLU 985          HG2       GLU 985  11.845 -11.392  -0.027
  529    H    MET 986           H        MET 986   8.465  -9.358  -3.632
  530    HA   MET 986           HA       MET 986   9.916  -7.197  -4.685
  531   1HB   MET 986          HB1       MET 986   8.760  -7.412  -6.689
  532   2HB   MET 986          HB2       MET 986   8.764  -9.032  -6.019
  533   1HG   MET 986          HG1       MET 986   6.484  -8.858  -5.385
  534   2HG   MET 986          HG2       MET 986   6.453  -7.137  -5.760
  535   1HE   MET 986          HE1       MET 986   8.192  -7.168  -8.469
  536   2HE   MET 986          HE2       MET 986   6.938  -7.286  -9.705
  537   3HE   MET 986          HE3       MET 986   6.723  -6.203  -8.328
  538    H    ALA 987           H        ALA 987   6.478  -7.239  -3.707
  539    HA   ALA 987           HA       ALA 987   6.255  -4.418  -4.092
  540   1HB   ALA 987          HB1       ALA 987   3.948  -4.677  -3.429
  541   2HB   ALA 987          HB2       ALA 987   4.389  -5.913  -4.608
  542   3HB   ALA 987          HB3       ALA 987   4.264  -6.332  -2.900
  543    H    GLN 988           H        GLN 988   6.642  -6.596  -1.338
  544    HA   GLN 988           HA       GLN 988   5.834  -4.879   0.695
  545   1HB   GLN 988          HB1       GLN 988   6.345  -7.244   1.071
  546   2HB   GLN 988          HB2       GLN 988   8.040  -6.962   0.733
  547   1HG   GLN 988          HG1       GLN 988   6.729  -5.525   2.992
  548   2HG   GLN 988          HG2       GLN 988   7.185  -7.215   3.179
  549   1HE2  GLN 988          2HE2      GLN 988   9.439  -7.771   2.919
  550   2HE2  GLN 988          1HE2      GLN 988  10.648  -6.585   3.267
  551    H    LYS 989           H        LYS 989   9.114  -5.324  -0.631
  552    HA   LYS 989           HA       LYS 989  10.205  -3.169   0.908
  553   1HB   LYS 989          HB1       LYS 989  11.284  -4.735  -1.439
  554   2HB   LYS 989          HB2       LYS 989  12.191  -3.459  -0.637
  555   1HG   LYS 989          HG1       LYS 989  11.978  -4.726   1.490
  556   2HG   LYS 989          HG2       LYS 989  11.223  -6.035   0.581
  557   1HD   LYS 989          HD1       LYS 989  13.893  -4.976  -0.254
  558   2HD   LYS 989          HD2       LYS 989  13.778  -6.104   1.094
  559   1HE   LYS 989          HE1       LYS 989  14.232  -7.340  -0.907
  560   2HE   LYS 989          HE2       LYS 989  12.584  -7.684  -0.395
  561   1HZ   LYS 989          HZ1       LYS 989  13.280  -5.702  -2.495
  562   2HZ   LYS 989          HZ2       LYS 989  12.863  -7.313  -2.815
  563   3HZ   LYS 989          HZ3       LYS 989  11.736  -6.276  -2.095
  564    H    LEU 990           H        LEU 990   8.622  -3.515  -2.099
  565    HA   LEU 990           HA       LEU 990   9.370  -1.091  -3.333
  566   1HB   LEU 990          HB1       LEU 990   8.412  -2.778  -4.658
  567   2HB   LEU 990          HB2       LEU 990   7.080  -3.019  -3.552
  568    HG   LEU 990           HG       LEU 990   6.090  -0.921  -4.258
  569   1HD1  LEU 990          1HD1      LEU 990   8.170   0.276  -4.813
  570   2HD1  LEU 990          2HD1      LEU 990   8.404  -0.786  -6.201
  571   3HD1  LEU 990          3HD1      LEU 990   7.026   0.314  -6.157
  572   1HD2  LEU 990          1HD2      LEU 990   5.480  -2.957  -5.411
  573   2HD2  LEU 990          2HD2      LEU 990   5.493  -1.601  -6.538
  574   3HD2  LEU 990          3HD2      LEU 990   6.827  -2.755  -6.532
  575    H    LEU 991           H        LEU 991   6.505  -2.001  -1.452
  576    HA   LEU 991           HA       LEU 991   5.246   0.432  -1.126
  577   1HB   LEU 991          HB1       LEU 991   5.593  -1.637   1.039
  578   2HB   LEU 991          HB2       LEU 991   4.286  -0.480   0.885
  579    HG   LEU 991           HG       LEU 991   4.736  -2.506  -1.265
  580   1HD1  LEU 991          1HD1      LEU 991   4.725  -3.759   0.832
  581   2HD1  LEU 991          2HD1      LEU 991   3.231  -2.953   1.314
  582   3HD1  LEU 991          3HD1      LEU 991   3.240  -4.034  -0.079
  583   1HD2  LEU 991          1HD2      LEU 991   3.135  -0.685  -1.619
  584   2HD2  LEU 991          2HD2      LEU 991   2.319  -2.246  -1.521
  585   3HD2  LEU 991          3HD2      LEU 991   2.284  -1.141  -0.145
  586    H    ASN 992           H        ASN 992   7.660  -1.051   0.989
  587    HA   ASN 992           HA       ASN 992   8.032   0.873   2.901
  588   1HB   ASN 992          HB1       ASN 992   9.132  -1.365   2.794
  589   2HB   ASN 992          HB2       ASN 992  10.206  -0.747   1.548
  590   1HD2  ASN 992          2HD2      ASN 992  10.772  -1.873   4.166
  591   2HD2  ASN 992          1HD2      ASN 992  11.697  -0.684   5.010
  592    H    SER 993           H        SER 993   9.412   0.727  -0.326
  593    HA   SER 993           HA       SER 993  11.152   2.923  -0.079
  594   1HB   SER 993          HB1       SER 993   9.903   1.713  -2.555
  595   2HB   SER 993          HB2       SER 993  11.281   2.815  -2.539
  596    HG   SER 993           HG       SER 993  11.152   0.215  -1.376
  597    H    ASP 994           H        ASP 994   7.823   2.700  -1.383
  598    HA   ASP 994           HA       ASP 994   8.052   5.538  -2.042
  599   1HB   ASP 994          HB1       ASP 994   6.380   3.361  -3.134
  600   2HB   ASP 994          HB2       ASP 994   5.732   5.000  -3.188
  601    H    LEU 995           H        LEU 995   6.063   3.466   0.075
  602    HA   LEU 995           HA       LEU 995   4.404   5.440   1.050
  603   1HB   LEU 995          HB1       LEU 995   4.357   3.159   1.936
  604   2HB   LEU 995          HB2       LEU 995   5.929   3.389   2.680
  605    HG   LEU 995           HG       LEU 995   3.838   3.464   4.163
  606   1HD1  LEU 995          1HD1      LEU 995   6.012   4.121   4.996
  607   2HD1  LEU 995          2HD1      LEU 995   5.822   5.727   4.290
  608   3HD1  LEU 995          3HD1      LEU 995   4.769   5.211   5.610
  609   1HD2  LEU 995          1HD2      LEU 995   2.446   4.884   2.820
  610   2HD2  LEU 995          2HD2      LEU 995   2.794   5.696   4.345
  611   3HD2  LEU 995          3HD2      LEU 995   3.642   6.180   2.880
  612    H    ALA 996           H        ALA 996   7.735   4.830   2.303
  613    HA   ALA 996           HA       ALA 996   8.063   7.162   3.707
  614   1HB   ALA 996          HB1       ALA 996   9.803   5.498   3.729
  615   2HB   ALA 996          HB2       ALA 996  10.132   5.772   2.016
  616   3HB   ALA 996          HB3       ALA 996  10.490   7.037   3.196
  617    H    GLU 997           H        GLU 997   8.422   6.714   0.284
  618    HA   GLU 997           HA       GLU 997   9.405   9.275  -0.364
  619   1HB   GLU 997          HB1       GLU 997   7.608   7.490  -1.996
  620   2HB   GLU 997          HB2       GLU 997   8.361   8.965  -2.596
  621   1HG   GLU 997          HG1       GLU 997  10.137   6.994  -1.343
  622   2HG   GLU 997          HG2       GLU 997   9.423   6.533  -2.887
  623    H    LEU 998           H        LEU 998   6.098   8.061  -0.038
  624    HA   LEU 998           HA       LEU 998   4.941  10.515  -0.964
  625   1HB   LEU 998          HB1       LEU 998   3.780   8.400  -1.306
  626   2HB   LEU 998          HB2       LEU 998   3.674   8.158   0.428
  627    HG   LEU 998           HG       LEU 998   2.162  10.027   0.658
  628   1HD1  LEU 998          1HD1      LEU 998   3.119  11.477  -1.051
  629   2HD1  LEU 998          2HD1      LEU 998   2.500  10.410  -2.312
  630   3HD1  LEU 998          3HD1      LEU 998   1.379  11.291  -1.275
  631   1HD2  LEU 998          1HD2      LEU 998   0.264   9.189  -0.625
  632   2HD2  LEU 998          2HD2      LEU 998   1.359   8.239  -1.630
  633   3HD2  LEU 998          3HD2      LEU 998   1.192   7.868   0.087
  634    H    ILE 999           H        ILE 999   5.680   9.089   2.129
  635    HA   ILE 999           HA       ILE 999   4.369  11.019   3.764
  636    HB   ILE 999           HB       ILE 999   6.873   9.388   4.268
  637   1HG1  ILE 999          1HG1      ILE 999   4.839   8.048   3.985
  638   2HG1  ILE 999          2HG1      ILE 999   5.414   7.976   5.645
  639   1HG2  ILE 999          1HG2      ILE 999   5.275  10.993   6.256
  640   2HG2  ILE 999          2HG2      ILE 999   6.625   9.923   6.634
  641   3HG2  ILE 999          3HG2      ILE 999   6.894  11.376   5.673
  642   1HD1  ILE 999          1HD1      ILE 999   3.012   8.162   5.595
  643   2HD1  ILE 999          2HD1      ILE 999   3.715   9.627   6.282
  644   3HD1  ILE 999          3HD1      ILE 999   3.120   9.630   4.622
  645    H    ASN1000           H        ASN1000   7.729  10.669   2.914
  646    HA   ASN1000           HA       ASN1000   8.643  13.240   3.352
  647   1HB   ASN1000          HB1       ASN1000  10.021  11.278   2.961
  648   2HB   ASN1000          HB2       ASN1000   9.449  11.161   1.309
  649   1HD2  ASN1000          2HD2      ASN1000  11.505  11.120   0.633
  650   2HD2  ASN1000          1HD2      ASN1000  12.513  12.515   0.567
  651    H    LYS1001           H        LYS1001   6.406  12.286   0.838
  652    HA   LYS1001           HA       LYS1001   6.975  14.667  -0.724
  653   1HB   LYS1001          HB1       LYS1001   4.682  12.722  -0.988
  654   2HB   LYS1001          HB2       LYS1001   5.039  14.041  -2.091
  655   1HG   LYS1001          HG1       LYS1001   6.715  11.602  -1.589
  656   2HG   LYS1001          HG2       LYS1001   5.774  11.971  -3.029
  657   1HD   LYS1001          HD1       LYS1001   7.233  13.761  -3.617
  658   2HD   LYS1001          HD2       LYS1001   8.068  13.668  -2.061
  659   1HE   LYS1001          HE1       LYS1001   8.912  11.463  -2.609
  660   2HE   LYS1001          HE2       LYS1001   7.998  11.459  -4.114
  661   1HZ   LYS1001          HZ1       LYS1001  10.359  11.976  -4.418
  662   2HZ   LYS1001          HZ2       LYS1001   9.355  13.233  -4.951
  663   3HZ   LYS1001          HZ3       LYS1001  10.182  13.371  -3.474
  664    H    MET1002           H        MET1002   4.478  13.521   1.521
  665    HA   MET1002           HA       MET1002   2.850  15.817   1.474
  666   1HB   MET1002          HB1       MET1002   1.798  14.953   3.375
  667   2HB   MET1002          HB2       MET1002   2.452  13.496   2.645
  668   1HG   MET1002          HG1       MET1002   4.447  13.821   4.205
  669   2HG   MET1002          HG2       MET1002   3.442  14.989   5.054
  670   1HE   MET1002          HE1       MET1002   4.734  12.539   6.547
  671   2HE   MET1002          HE2       MET1002   3.654  13.693   7.330
  672   3HE   MET1002          HE3       MET1002   3.369  11.961   7.503
  673    H    LYS1003           H        LYS1003   5.731  14.826   3.107
  674    HA   LYS1003           HA       LYS1003   6.085  17.201   4.598
  675   1HB   LYS1003          HB1       LYS1003   7.273  15.198   5.242
  676   2HB   LYS1003          HB2       LYS1003   8.011  15.064   3.651
  677   1HG   LYS1003          HG1       LYS1003   9.179  17.194   4.069
  678   2HG   LYS1003          HG2       LYS1003   8.518  17.198   5.703
  679   1HD   LYS1003          HD1       LYS1003  10.298  15.059   4.529
  680   2HD   LYS1003          HD2       LYS1003  10.821  16.325   5.641
  681   1HE   LYS1003          HE1       LYS1003   9.287  15.446   7.341
  682   2HE   LYS1003          HE2       LYS1003   8.783  14.177   6.224
  683   1HZ   LYS1003          HZ1       LYS1003  11.025  13.317   6.214
  684   2HZ   LYS1003          HZ2       LYS1003  11.550  14.567   7.235
  685   3HZ   LYS1003          HZ3       LYS1003  10.457  13.407   7.810
  686    H    LEU1004           H        LEU1004   7.564  15.964   1.615
  687    HA   LEU1004           HA       LEU1004   9.239  18.027   1.001
  688   1HB   LEU1004          HB1       LEU1004   8.711  15.797  -0.259
  689   2HB   LEU1004          HB2       LEU1004   7.629  16.806  -1.193
  690    HG   LEU1004           HG       LEU1004  10.616  17.218  -0.954
  691   1HD1  LEU1004          1HD1      LEU1004   8.946  16.135  -3.214
  692   2HD1  LEU1004          2HD1      LEU1004  10.676  16.475  -3.284
  693   3HD1  LEU1004          3HD1      LEU1004  10.066  15.218  -2.208
  694   1HD2  LEU1004          1HD2      LEU1004   8.597  18.603  -2.724
  695   2HD2  LEU1004          2HD2      LEU1004   9.411  19.321  -1.333
  696   3HD2  LEU1004          3HD2      LEU1004  10.344  18.844  -2.754
  697    H    ALA1005           H        ALA1005   5.916  17.722  -0.244
  698    HA   ALA1005           HA       ALA1005   5.954  20.135  -1.666
  699   1HB   ALA1005          HB1       ALA1005   3.517  19.909  -1.754
  700   2HB   ALA1005          HB2       ALA1005   4.319  18.374  -2.085
  701   3HB   ALA1005          HB3       ALA1005   3.589  18.665  -0.506
  702    H    GLN1006           H        GLN1006   4.756  19.361   1.564
  703    HA   GLN1006           HA       GLN1006   3.889  22.056   2.064
  704   1HB   GLN1006          HB1       GLN1006   4.098  19.700   3.952
  705   2HB   GLN1006          HB2       GLN1006   3.131  21.167   4.193
  706   1HG   GLN1006          HG1       GLN1006   2.769  19.011   2.164
  707   2HG   GLN1006          HG2       GLN1006   1.687  19.448   3.489
  708   1HE2  GLN1006          2HE2      GLN1006   2.665  20.159   0.272
  709   2HE2  GLN1006          1HE2      GLN1006   1.512  21.406  -0.042
  710    H    GLN1007           H        GLN1007   6.761  20.295   2.387
  711    HA   GLN1007           HA       GLN1007   7.922  21.985   4.397
  712   1HB   GLN1007          HB1       GLN1007   8.388  19.446   3.696
  713   2HB   GLN1007          HB2       GLN1007   9.559  20.227   2.651
  714   1HG   GLN1007          HG1       GLN1007  10.544  19.450   4.734
  715   2HG   GLN1007          HG2       GLN1007  10.661  21.211   4.578
  716   1HE2  GLN1007          2HE2      GLN1007   7.674  19.613   5.330
  717   2HE2  GLN1007          1HE2      GLN1007   7.569  20.137   6.980
  718    H    TYR1008           H        TYR1008   8.030  21.646   0.961
  719    HA   TYR1008           HA       TYR1008  10.190  23.530   0.631
  720   1HB   TYR1008          HB1       TYR1008   9.847  21.489  -0.775
  721   2HB   TYR1008          HB2       TYR1008   8.386  22.221  -1.417
  722    HD1  TYR1008           HD1      TYR1008   8.700  22.729  -3.602
  723    HD2  TYR1008           HD2      TYR1008  11.837  23.555  -0.854
  724    HE1  TYR1008           HE1      TYR1008  10.021  23.733  -5.426
  725    HE2  TYR1008           HE2      TYR1008  13.167  24.580  -2.655
  726    HH   TYR1008           HH       TYR1008  11.847  25.346  -5.714
  727    H    VAL1009           H        VAL1009   6.900  23.685   1.147
  728    HA   VAL1009           HA       VAL1009   5.666  25.493  -0.364
  729    HB   VAL1009           HB       VAL1009   5.714  25.439   2.652
  730   1HG1  VAL1009          1HG1      VAL1009   3.672  26.789   2.611
  731   2HG1  VAL1009          2HG1      VAL1009   5.031  27.682   1.929
  732   3HG1  VAL1009          3HG1      VAL1009   3.820  26.970   0.862
  733   1HG2  VAL1009          1HG2      VAL1009   3.541  24.363   2.379
  734   2HG2  VAL1009          2HG2      VAL1009   3.706  24.468   0.626
  735   3HG2  VAL1009          3HG2      VAL1009   4.816  23.463   1.558
  736    H    MET1010           H        MET1010   6.491  27.143  -1.379
  737    HA   MET1010           HA       MET1010   7.932  29.215   0.123
  738   1HB   MET1010          HB1       MET1010   8.990  28.526  -1.956
  739   2HB   MET1010          HB2       MET1010   7.505  28.819  -2.848
  740   1HG   MET1010          HG1       MET1010   7.704  31.221  -2.323
  741   2HG   MET1010          HG2       MET1010   9.240  30.890  -1.520
  742   1HE   MET1010          HE1       MET1010  10.318  32.775  -3.146
  743   2HE   MET1010          HE2       MET1010  10.195  32.706  -4.904
  744   3HE   MET1010          HE3       MET1010   8.752  32.983  -3.927
  745    H    THR1011           H        THR1011   5.703  29.450  -2.618
  746    HA   THR1011           HA       THR1011   3.424  30.271  -1.279
  747    HB   THR1011           HB       THR1011   4.673  32.260  -0.581
  748    HG1  THR1011           HG1      THR1011   3.050  33.459  -2.471
  749   1HG2  THR1011          1HG2      THR1011   5.008  32.820  -3.532
  750   2HG2  THR1011          2HG2      THR1011   5.424  33.928  -2.223
  751   3HG2  THR1011          3HG2      THR1011   6.293  32.402  -2.400
  752    H    SER1012           H        SER1012   1.839  29.926  -2.666
  753    HA   SER1012           HA       SER1012   0.607  29.728  -4.559
  754   1HB   SER1012          HB1       SER1012   2.751  31.411  -5.875
  755   2HB   SER1012          HB2       SER1012   1.171  31.036  -6.559
  756    HG   SER1012           HG       SER1012   0.451  32.008  -4.381
  757    H    LEU1013           H        LEU1013   4.060  29.421  -5.274
  758    HA   LEU1013           HA       LEU1013   3.810  27.567  -7.384
  759   1HB   LEU1013          HB1       LEU1013   6.136  28.121  -5.545
  760   2HB   LEU1013          HB2       LEU1013   6.227  27.183  -7.024
  761    HG   LEU1013           HG       LEU1013   5.496  30.109  -6.870
  762   1HD1  LEU1013          1HD1      LEU1013   7.689  30.488  -7.885
  763   2HD1  LEU1013          2HD1      LEU1013   7.835  29.726  -6.301
  764   3HD1  LEU1013          3HD1      LEU1013   8.043  28.765  -7.767
  765   1HD2  LEU1013          1HD2      LEU1013   5.731  30.046  -9.308
  766   2HD2  LEU1013          2HD2      LEU1013   5.991  28.303  -9.233
  767   3HD2  LEU1013          3HD2      LEU1013   4.438  28.984  -8.749
  768    H    GLN1014           H        GLN1014   3.098  27.122  -4.195
  769    HA   GLN1014           HA       GLN1014   4.294  24.768  -3.376
  770   1HB   GLN1014          HB1       GLN1014   2.668  26.342  -2.130
  771   2HB   GLN1014          HB2       GLN1014   1.392  25.386  -2.862
  772   1HG   GLN1014          HG1       GLN1014   3.546  24.172  -1.166
  773   2HG   GLN1014          HG2       GLN1014   2.031  24.787  -0.505
  774   1HE2  GLN1014          2HE2      GLN1014   3.550  22.327  -2.387
  775   2HE2  GLN1014          1HE2      GLN1014   2.147  21.335  -2.599
  776    H    GLN1015           H        GLN1015   1.434  25.227  -5.395
  777    HA   GLN1015           HA       GLN1015   0.426  22.675  -5.567
  778   1HB   GLN1015          HB1       GLN1015  -0.596  24.692  -6.497
  779   2HB   GLN1015          HB2       GLN1015   0.671  24.767  -7.698
  780   1HG   GLN1015          HG1       GLN1015  -1.251  23.927  -8.776
  781   2HG   GLN1015          HG2       GLN1015  -0.148  22.568  -8.570
  782   1HE2  GLN1015          2HE2      GLN1015  -3.056  24.097  -7.377
  783   2HE2  GLN1015          1HE2      GLN1015  -3.713  22.687  -6.609
  784    H    GLU1016           H        GLU1016   3.100  24.077  -7.426
  785    HA   GLU1016           HA       GLU1016   3.784  21.981  -9.090
  786   1HB   GLU1016          HB1       GLU1016   4.876  24.149  -9.132
  787   2HB   GLU1016          HB2       GLU1016   5.546  23.872  -7.531
  788   1HG   GLU1016          HG1       GLU1016   7.343  23.310  -8.713
  789   2HG   GLU1016          HG2       GLU1016   6.548  21.749  -8.774
  790    H    TYR1017           H        TYR1017   5.251  22.657  -5.968
  791    HA   TYR1017           HA       TYR1017   6.637  20.332  -5.516
  792   1HB   TYR1017          HB1       TYR1017   5.145  21.417  -3.146
  793   2HB   TYR1017          HB2       TYR1017   6.811  20.887  -3.265
  794    HD1  TYR1017           HD1      TYR1017   6.966  22.876  -5.894
  795    HD2  TYR1017           HD2      TYR1017   6.101  23.251  -1.721
  796    HE1  TYR1017           HE1      TYR1017   7.650  25.224  -5.976
  797    HE2  TYR1017           HE2      TYR1017   6.768  25.614  -1.827
  798    HH   TYR1017           HH       TYR1017   8.317  27.034  -3.301
  799    H    LYS1018           H        LYS1018   3.253  21.005  -4.890
  800    HA   LYS1018           HA       LYS1018   2.459  18.570  -3.831
  801   1HB   LYS1018          HB1       LYS1018   1.063  20.538  -3.791
  802   2HB   LYS1018          HB2       LYS1018   0.928  20.525  -5.541
  803   1HG   LYS1018          HG1       LYS1018  -0.348  18.476  -5.465
  804   2HG   LYS1018          HG2       LYS1018  -0.133  18.379  -3.716
  805   1HD   LYS1018          HD1       LYS1018  -1.410  20.383  -3.388
  806   2HD   LYS1018          HD2       LYS1018  -1.494  20.668  -5.126
  807   1HE   LYS1018          HE1       LYS1018  -2.832  18.662  -5.413
  808   2HE   LYS1018          HE2       LYS1018  -2.697  18.302  -3.690
  809   1HZ   LYS1018          HZ1       LYS1018  -3.997  20.715  -4.843
  810   2HZ   LYS1018          HZ2       LYS1018  -4.814  19.354  -4.254
  811   3HZ   LYS1018          HZ3       LYS1018  -3.909  20.323  -3.196
  812    H    LYS1019           H        LYS1019   2.997  19.376  -7.242
  813    HA   LYS1019           HA       LYS1019   1.688  17.177  -8.416
  814   1HB   LYS1019          HB1       LYS1019   4.331  18.338  -9.323
  815   2HB   LYS1019          HB2       LYS1019   3.196  17.426 -10.300
  816   1HG   LYS1019          HG1       LYS1019   1.618  19.241 -10.249
  817   2HG   LYS1019          HG2       LYS1019   2.642  20.143  -9.124
  818   1HD   LYS1019          HD1       LYS1019   4.449  20.113 -10.826
  819   2HD   LYS1019          HD2       LYS1019   3.329  19.349 -11.953
  820   1HE   LYS1019          HE1       LYS1019   1.901  21.285 -11.918
  821   2HE   LYS1019          HE2       LYS1019   2.882  22.033 -10.656
  822   1HZ   LYS1019          HZ1       LYS1019   4.760  22.048 -12.207
  823   2HZ   LYS1019          HZ2       LYS1019   3.763  21.413 -13.422
  824   3HZ   LYS1019          HZ3       LYS1019   3.451  22.959 -12.798
  825    H    GLN1020           H        GLN1020   5.008  17.591  -7.341
  826    HA   GLN1020           HA       GLN1020   6.062  15.081  -7.768
  827   1HB   GLN1020          HB1       GLN1020   6.620  16.656  -5.256
  828   2HB   GLN1020          HB2       GLN1020   7.710  15.590  -6.128
  829   1HG   GLN1020          HG1       GLN1020   6.707  18.272  -7.043
  830   2HG   GLN1020          HG2       GLN1020   8.330  17.888  -6.477
  831   1HE2  GLN1020          2HE2      GLN1020   7.429  19.006  -9.001
  832   2HE2  GLN1020          1HE2      GLN1020   8.034  17.956 -10.237
  833    H    MET1021           H        MET1021   4.169  16.219  -5.030
  834    HA   MET1021           HA       MET1021   4.278  13.858  -3.493
  835   1HB   MET1021          HB1       MET1021   3.667  16.035  -2.553
  836   2HB   MET1021          HB2       MET1021   2.221  16.080  -3.547
  837   1HG   MET1021          HG1       MET1021   2.669  13.896  -1.547
  838   2HG   MET1021          HG2       MET1021   1.995  15.453  -1.075
  839   1HE   MET1021          HE1       MET1021   0.323  16.144  -3.765
  840   2HE   MET1021          HE2       MET1021  -1.270  15.548  -3.299
  841   3HE   MET1021          HE3       MET1021  -0.287  16.436  -2.136
  842    H    LEU1022           H        LEU1022   1.876  15.071  -5.815
  843    HA   LEU1022           HA       LEU1022   0.020  12.983  -5.400
  844   1HB   LEU1022          HB1       LEU1022  -0.533  15.179  -6.384
  845   2HB   LEU1022          HB2       LEU1022   0.354  14.737  -7.830
  846    HG   LEU1022           HG       LEU1022  -1.237  12.883  -8.217
  847   1HD1  LEU1022          1HD1      LEU1022  -1.914  12.486  -5.910
  848   2HD1  LEU1022          2HD1      LEU1022  -2.712  14.057  -5.864
  849   3HD1  LEU1022          3HD1      LEU1022  -3.316  12.793  -6.935
  850   1HD2  LEU1022          1HD2      LEU1022  -2.518  15.592  -7.897
  851   2HD2  LEU1022          2HD2      LEU1022  -1.583  15.046  -9.288
  852   3HD2  LEU1022          3HD2      LEU1022  -3.121  14.274  -8.900
  853    H    THR1023           H        THR1023   2.749  13.326  -7.570
  854    HA   THR1023           HA       THR1023   2.170  11.071  -9.198
  855    HB   THR1023           HB       THR1023   4.884  12.276  -8.597
  856    HG1  THR1023           HG1      THR1023   3.277  13.801  -9.411
  857   1HG2  THR1023          1HG2      THR1023   5.505  11.390 -10.787
  858   2HG2  THR1023          2HG2      THR1023   4.966  10.094  -9.720
  859   3HG2  THR1023          3HG2      THR1023   3.892  10.705 -10.979
  860    H    ALA1024           H        ALA1024   4.272  11.562  -6.415
  861    HA   ALA1024           HA       ALA1024   5.131   8.892  -6.120
  862   1HB   ALA1024          HB1       ALA1024   5.837   9.515  -3.882
  863   2HB   ALA1024          HB2       ALA1024   6.267  10.765  -5.049
  864   3HB   ALA1024          HB3       ALA1024   4.884  10.996  -3.978
  865    H    ALA1025           H        ALA1025   2.331  10.602  -4.838
  866    HA   ALA1025           HA       ALA1025   1.367   8.600  -3.127
  867   1HB   ALA1025          HB1       ALA1025  -0.218  10.581  -4.772
  868   2HB   ALA1025          HB2       ALA1025  -0.823   9.669  -3.388
  869   3HB   ALA1025          HB3       ALA1025   0.448  10.871  -3.165
  870    H    HIS1026           H        HIS1026   0.896   9.143  -6.578
  871    HA   HIS1026           HA       HIS1026  -0.890   6.974  -6.942
  872   1HB   HIS1026          HB1       HIS1026  -0.708   8.891  -8.513
  873   2HB   HIS1026          HB2       HIS1026   0.891   8.327  -8.984
  874    HD1  HIS1026           HD1      HIS1026  -2.754   7.513  -9.334
  875    HD2  HIS1026           HD2      HIS1026   0.917   6.203 -10.789
  876    HE1  HIS1026           HE1      HIS1026  -3.291   5.965 -11.243
  877    HE2  HIS1026           HE2      HIS1026  -1.058   5.311 -12.207
  878    H    ALA1027           H        ALA1027   2.583   7.321  -7.025
  879    HA   ALA1027           HA       ALA1027   3.209   4.798  -8.101
  880   1HB   ALA1027          HB1       ALA1027   4.864   6.575  -7.892
  881   2HB   ALA1027          HB2       ALA1027   4.782   6.457  -6.133
  882   3HB   ALA1027          HB3       ALA1027   5.408   5.108  -7.081
  883    H    LEU1028           H        LEU1028   2.834   5.906  -4.750
  884    HA   LEU1028           HA       LEU1028   3.256   3.451  -3.469
  885   1HB   LEU1028          HB1       LEU1028   3.019   5.738  -2.386
  886   2HB   LEU1028          HB2       LEU1028   1.288   5.548  -2.579
  887    HG   LEU1028           HG       LEU1028   1.248   3.635  -1.097
  888   1HD1  LEU1028          1HD1      LEU1028   4.238   3.919  -0.990
  889   2HD1  LEU1028          2HD1      LEU1028   3.270   2.845   0.020
  890   3HD1  LEU1028          3HD1      LEU1028   3.329   2.599  -1.725
  891   1HD2  LEU1028          1HD2      LEU1028   1.166   5.864  -0.100
  892   2HD2  LEU1028          2HD2      LEU1028   1.934   4.692   0.971
  893   3HD2  LEU1028          3HD2      LEU1028   2.921   5.847   0.073
  894    H    ALA1029           H        ALA1029   0.218   4.987  -4.420
  895    HA   ALA1029           HA       ALA1029  -1.517   2.952  -3.956
  896   1HB   ALA1029          HB1       ALA1029  -2.179   5.172  -4.757
  897   2HB   ALA1029          HB2       ALA1029  -1.592   4.759  -6.369
  898   3HB   ALA1029          HB3       ALA1029  -2.958   3.884  -5.677
  899    H    VAL1030           H        VAL1030   0.700   3.172  -6.740
  900    HA   VAL1030           HA       VAL1030  -0.258   0.782  -7.967
  901    HB   VAL1030           HB       VAL1030   2.454   2.092  -8.233
  902   1HG1  VAL1030          1HG1      VAL1030   2.573  -0.238  -8.894
  903   2HG1  VAL1030          2HG1      VAL1030   1.148  -0.047  -9.916
  904   3HG1  VAL1030          3HG1      VAL1030   2.644   0.793 -10.323
  905   1HG2  VAL1030          1HG2      VAL1030   1.579   2.984 -10.337
  906   2HG2  VAL1030          2HG2      VAL1030   0.009   2.256  -9.994
  907   3HG2  VAL1030          3HG2      VAL1030   0.631   3.542  -8.958
  908    H    ASP1031           H        ASP1031   2.360   1.469  -5.729
  909    HA   ASP1031           HA       ASP1031   3.330  -1.123  -5.365
  910   1HB   ASP1031          HB1       ASP1031   3.000   1.015  -3.245
  911   2HB   ASP1031          HB2       ASP1031   4.036  -0.400  -3.116
  912    H    ALA1032           H        ALA1032   0.778   0.533  -3.497
  913    HA   ALA1032           HA       ALA1032  -0.354  -1.550  -2.145
  914   1HB   ALA1032          HB1       ALA1032  -1.838   0.636  -3.596
  915   2HB   ALA1032          HB2       ALA1032  -2.464  -0.345  -2.270
  916   3HB   ALA1032          HB3       ALA1032  -1.120   0.763  -1.990
  917    H    LYS1033           H        LYS1033  -0.651  -0.864  -5.596
  918    HA   LYS1033           HA       LYS1033  -2.830  -2.724  -5.941
  919   1HB   LYS1033          HB1       LYS1033  -2.488  -0.814  -7.517
  920   2HB   LYS1033          HB2       LYS1033  -1.017  -1.598  -8.089
  921   1HG   LYS1033          HG1       LYS1033  -2.551  -3.623  -8.540
  922   2HG   LYS1033          HG2       LYS1033  -3.862  -2.452  -8.427
  923   1HD   LYS1033          HD1       LYS1033  -2.918  -1.163 -10.238
  924   2HD   LYS1033          HD2       LYS1033  -1.511  -2.229 -10.302
  925   1HE   LYS1033          HE1       LYS1033  -4.372  -2.945 -10.928
  926   2HE   LYS1033          HE2       LYS1033  -3.030  -2.841 -12.065
  927   1HZ   LYS1033          HZ1       LYS1033  -1.962  -4.690 -10.859
  928   2HZ   LYS1033          HZ2       LYS1033  -3.330  -4.819  -9.865
  929   3HZ   LYS1033          HZ3       LYS1033  -3.463  -5.130 -11.521
  930    H    ASN1034           H        ASN1034   0.663  -2.748  -6.211
  931    HA   ASN1034           HA       ASN1034   0.818  -5.285  -7.483
  932   1HB   ASN1034          HB1       ASN1034   2.639  -3.527  -7.474
  933   2HB   ASN1034          HB2       ASN1034   2.983  -4.006  -5.812
  934   1HD2  ASN1034          2HD2      ASN1034   5.051  -4.719  -6.363
  935   2HD2  ASN1034          1HD2      ASN1034   5.311  -6.178  -7.247
  936    H    LEU1035           H        LEU1035   1.386  -4.266  -4.091
  937    HA   LEU1035           HA       LEU1035   1.747  -6.942  -3.153
  938   1HB   LEU1035          HB1       LEU1035   2.512  -4.985  -1.819
  939   2HB   LEU1035          HB2       LEU1035   0.828  -4.550  -1.532
  940    HG   LEU1035           HG       LEU1035   0.637  -6.942  -0.529
  941   1HD1  LEU1035          1HD1      LEU1035   2.788  -7.752  -1.311
  942   2HD1  LEU1035          2HD1      LEU1035   3.613  -6.503  -0.377
  943   3HD1  LEU1035          3HD1      LEU1035   2.714  -7.775   0.452
  944   1HD2  LEU1035          1HD2      LEU1035   2.201  -4.804   0.905
  945   2HD2  LEU1035          2HD2      LEU1035   0.445  -4.880   0.765
  946   3HD2  LEU1035          3HD2      LEU1035   1.312  -6.129   1.658
  947    H    LEU1036           H        LEU1036  -1.042  -4.950  -3.701
  948    HA   LEU1036           HA       LEU1036  -3.067  -6.301  -2.428
  949   1HB   LEU1036          HB1       LEU1036  -3.441  -4.263  -3.727
  950   2HB   LEU1036          HB2       LEU1036  -3.068  -5.118  -5.212
  951    HG   LEU1036           HG       LEU1036  -5.084  -6.560  -4.793
  952   1HD1  LEU1036          1HD1      LEU1036  -5.612  -4.506  -2.654
  953   2HD1  LEU1036          2HD1      LEU1036  -6.772  -5.702  -3.235
  954   3HD1  LEU1036          3HD1      LEU1036  -5.304  -6.225  -2.406
  955   1HD2  LEU1036          1HD2      LEU1036  -5.573  -3.596  -5.043
  956   2HD2  LEU1036          2HD2      LEU1036  -5.112  -4.677  -6.358
  957   3HD2  LEU1036          3HD2      LEU1036  -6.669  -4.878  -5.555
  958    H    ASP1037           H        ASP1037  -1.476  -7.019  -5.482
  959    HA   ASP1037           HA       ASP1037  -3.006  -9.480  -5.793
  960   1HB   ASP1037          HB1       ASP1037  -2.522  -7.902  -7.711
  961   2HB   ASP1037          HB2       ASP1037  -0.834  -8.391  -7.591
  962    H    VAL1038           H        VAL1038   0.153  -8.379  -4.876
  963    HA   VAL1038           HA       VAL1038   1.701 -10.691  -5.070
  964    HB   VAL1038           HB       VAL1038   1.746  -8.415  -3.105
  965   1HG1  VAL1038          1HG1      VAL1038   3.759 -10.639  -3.307
  966   2HG1  VAL1038          2HG1      VAL1038   3.899  -9.193  -2.308
  967   3HG1  VAL1038          3HG1      VAL1038   2.638 -10.378  -1.969
  968   1HG2  VAL1038          1HG2      VAL1038   3.565  -9.187  -5.381
  969   2HG2  VAL1038          2HG2      VAL1038   2.382  -7.878  -5.391
  970   3HG2  VAL1038          3HG2      VAL1038   3.784  -7.794  -4.323
  971    H    ILE1039           H        ILE1039  -0.080  -9.552  -2.183
  972    HA   ILE1039           HA       ILE1039   0.334 -12.141  -0.941
  973    HB   ILE1039           HB       ILE1039  -0.793 -11.148   1.036
  974   1HG1  ILE1039          1HG1      ILE1039  -0.743  -8.675  -0.694
  975   2HG1  ILE1039          2HG1      ILE1039  -2.152  -9.432   0.049
  976   1HG2  ILE1039          1HG2      ILE1039   1.126  -9.721   1.614
  977   2HG2  ILE1039          2HG2      ILE1039   1.619 -11.216   0.817
  978   3HG2  ILE1039          3HG2      ILE1039   1.603  -9.701  -0.084
  979   1HD1  ILE1039          1HD1      ILE1039  -1.482  -7.421   1.237
  980   2HD1  ILE1039          2HD1      ILE1039  -1.311  -8.852   2.252
  981   3HD1  ILE1039          3HD1      ILE1039   0.115  -8.113   1.523
  982    H    ASP1040           H        ASP1040  -2.471 -10.250  -2.166
  983    HA   ASP1040           HA       ASP1040  -4.433 -12.085  -2.184
  984   1HB   ASP1040          HB1       ASP1040  -4.603 -10.185  -3.669
  985   2HB   ASP1040          HB2       ASP1040  -3.241 -10.741  -4.624
  986    H    GLN1041           H        GLN1041  -1.536 -12.289  -4.185
  987    HA   GLN1041           HA       GLN1041  -2.018 -15.011  -4.963
  988   1HB   GLN1041          HB1       GLN1041  -0.743 -13.363  -6.367
  989   2HB   GLN1041          HB2       GLN1041   0.545 -13.442  -5.176
  990   1HG   GLN1041          HG1       GLN1041   0.771 -15.852  -5.621
  991   2HG   GLN1041          HG2       GLN1041  -0.448 -15.700  -6.887
  992   1HE2  GLN1041          2HE2      GLN1041   2.801 -14.927  -5.937
  993   2HE2  GLN1041          1HE2      GLN1041   3.364 -14.445  -7.498
  994    H    ALA1042           H        ALA1042  -0.310 -13.400  -2.352
  995    HA   ALA1042           HA       ALA1042   1.340 -15.459  -1.530
  996   1HB   ALA1042          HB1       ALA1042   1.185 -14.580   0.725
  997   2HB   ALA1042          HB2       ALA1042   1.289 -13.264  -0.445
  998   3HB   ALA1042          HB3       ALA1042  -0.262 -13.671   0.290
  999    H    ARG1043           H        ARG1043  -2.077 -14.978  -0.583
 1000    HA   ARG1043           HA       ARG1043  -2.156 -17.552   0.642
 1001   1HB   ARG1043          HB1       ARG1043  -4.530 -15.873  -0.158
 1002   2HB   ARG1043          HB2       ARG1043  -4.422 -17.033   1.165
 1003   1HG   ARG1043          HG1       ARG1043  -3.053 -14.375   0.949
 1004   2HG   ARG1043          HG2       ARG1043  -4.308 -14.856   2.089
 1005   1HD   ARG1043          HD1       ARG1043  -1.685 -16.290   1.963
 1006   2HD   ARG1043          HD2       ARG1043  -1.861 -14.790   2.875
 1007    HE   ARG1043           HE       ARG1043  -3.687 -17.013   3.445
 1008   1HH1  ARG1043          2HH1      ARG1043  -1.120 -14.880   4.471
 1009   2HH1  ARG1043          1HH1      ARG1043  -1.194 -15.373   6.132
 1010   1HH2  ARG1043          2HH2      ARG1043  -3.786 -17.674   5.649
 1011   2HH2  ARG1043          1HH2      ARG1043  -2.699 -16.946   6.796
 1012    H    LEU1044           H        LEU1044  -2.708 -16.370  -2.557
 1013    HA   LEU1044           HA       LEU1044  -4.082 -18.723  -3.488
 1014   1HB   LEU1044          HB1       LEU1044  -4.329 -16.513  -4.560
 1015   2HB   LEU1044          HB2       LEU1044  -2.645 -16.565  -5.035
 1016    HG   LEU1044           HG       LEU1044  -3.137 -18.556  -6.438
 1017   1HD1  LEU1044          1HD1      LEU1044  -5.080 -19.379  -5.217
 1018   2HD1  LEU1044          2HD1      LEU1044  -5.997 -17.950  -5.700
 1019   3HD1  LEU1044          3HD1      LEU1044  -5.468 -19.110  -6.918
 1020   1HD2  LEU1044          1HD2      LEU1044  -4.318 -17.321  -8.191
 1021   2HD2  LEU1044          2HD2      LEU1044  -4.799 -16.105  -7.007
 1022   3HD2  LEU1044          3HD2      LEU1044  -3.095 -16.322  -7.406
 1023    H    LYS1045           H        LYS1045  -0.790 -17.641  -3.219
 1024    HA   LYS1045           HA       LYS1045   0.436 -19.695  -4.757
 1025   1HB   LYS1045          HB1       LYS1045   2.494 -18.867  -3.966
 1026   2HB   LYS1045          HB2       LYS1045   1.468 -17.448  -4.054
 1027   1HG   LYS1045          HG1       LYS1045   2.681 -17.215  -2.106
 1028   2HG   LYS1045          HG2       LYS1045   1.085 -17.790  -1.588
 1029   1HD   LYS1045          HD1       LYS1045   2.147 -20.132  -1.892
 1030   2HD   LYS1045          HD2       LYS1045   3.668 -19.253  -1.727
 1031   1HE   LYS1045          HE1       LYS1045   2.986 -18.407   0.426
 1032   2HE   LYS1045          HE2       LYS1045   1.415 -19.189   0.260
 1033   1HZ   LYS1045          HZ1       LYS1045   3.017 -20.431   1.645
 1034   2HZ   LYS1045          HZ2       LYS1045   2.439 -21.322   0.330
 1035   3HZ   LYS1045          HZ3       LYS1045   3.990 -20.649   0.281
 1036    H    MET1046           H        MET1046  -0.784 -19.348  -1.605
 1037    HA   MET1046           HA       MET1046   0.456 -21.729  -0.650
 1038   1HB   MET1046          HB1       MET1046  -0.270 -20.100   0.961
 1039   2HB   MET1046          HB2       MET1046  -1.910 -20.170   0.360
 1040   1HG   MET1046          HG1       MET1046  -2.138 -22.447   1.187
 1041   2HG   MET1046          HG2       MET1046  -0.461 -22.417   1.733
 1042   1HE   MET1046          HE1       MET1046  -3.858 -19.875   3.564
 1043   2HE   MET1046          HE2       MET1046  -3.209 -19.560   1.956
 1044   3HE   MET1046          HE3       MET1046  -4.088 -21.055   2.274
 1045    H    ILE1047           H        ILE1047  -2.481 -20.921  -2.345
 1046    HA   ILE1047           HA       ILE1047  -3.551 -23.557  -2.461
 1047    HB   ILE1047           HB       ILE1047  -3.838 -21.337  -4.496
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.528 -20.578  -2.288
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.932 -20.781  -3.330
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.893 -22.468  -5.153
 1051   2HG2  ILE1047          2HG2      ILE1047  -4.493 -23.522  -5.352
 1052   3HG2  ILE1047          3HG2      ILE1047  -5.575 -23.744  -3.977
 1053   1HD1  ILE1047          1HD1      ILE1047  -5.023 -22.697  -1.192
 1054   2HD1  ILE1047          2HD1      ILE1047  -6.388 -21.587  -1.093
 1055   3HD1  ILE1047          3HD1      ILE1047  -6.418 -22.920  -2.247
 1056    H    SER1048           H        SER1048  -1.183 -21.717  -4.280
 1057    HA   SER1048           HA       SER1048  -0.569 -23.493  -6.322
 1058   1HB   SER1048          HB1       SER1048   1.167 -21.551  -4.765
 1059   2HB   SER1048          HB2       SER1048   1.768 -22.472  -6.152
 1060    HG   SER1048           HG       SER1048   0.737 -21.181  -7.447
 1061    H    GLN1049           H        GLN1049   0.104 -23.721  -2.917
 1062    HA   GLN1049           HA       GLN1049   2.060 -25.779  -3.062
 1063   1HB   GLN1049          HB1       GLN1049   0.061 -25.196  -0.869
 1064   2HB   GLN1049          HB2       GLN1049   1.470 -26.234  -0.720
 1065   1HG   GLN1049          HG1       GLN1049   2.941 -24.350  -1.023
 1066   2HG   GLN1049          HG2       GLN1049   1.561 -23.286  -1.307
 1067   1HE2  GLN1049          2HE2      GLN1049   1.583 -25.849   1.068
 1068   2HE2  GLN1049          1HE2      GLN1049   1.537 -24.817   2.459
 1069    H    SER1050           H        SER1050  -1.430 -25.803  -2.420
 1070    HA   SER1050           HA       SER1050  -1.752 -28.600  -2.451
 1071   1HB   SER1050          HB1       SER1050  -3.850 -26.567  -3.223
 1072   2HB   SER1050          HB2       SER1050  -4.101 -28.155  -2.496
 1073    HG   SER1050           HG       SER1050  -2.898 -27.310  -0.645
 1074    H    ARG1051           H        ARG1051  -2.652 -26.214  -4.907
 1075    HA   ARG1051           HA       ARG1051  -2.452 -26.167  -7.135
 1076   1HB   ARG1051          HB1       ARG1051  -1.381 -28.964  -6.931
 1077   2HB   ARG1051          HB2       ARG1051  -1.654 -28.149  -8.464
 1078   1HG   ARG1051          HG1       ARG1051  -0.119 -26.350  -7.736
 1079   2HG   ARG1051          HG2       ARG1051   0.212 -27.277  -6.269
 1080   1HD   ARG1051          HD1       ARG1051   1.919 -27.601  -8.030
 1081   2HD   ARG1051          HD2       ARG1051   1.108 -29.097  -7.565
 1082    HE   ARG1051           HE       ARG1051   0.326 -27.570  -9.968
 1083   1HH1  ARG1051          2HH1      ARG1051   1.352 -30.536  -8.424
 1084   2HH1  ARG1051          1HH1      ARG1051   0.971 -31.540  -9.791
 1085   1HH2  ARG1051          2HH2      ARG1051  -0.184 -28.868 -11.776
 1086   2HH2  ARG1051          1HH2      ARG1051   0.065 -30.591 -11.697
 1087    HA   PRO1052           HA       PRO1052  -5.803 -28.783  -8.838
 1088   1HB   PRO1052          HB1       PRO1052  -6.008 -31.477  -7.878
 1089   2HB   PRO1052          HB2       PRO1052  -5.465 -30.922  -9.463
 1090   1HG   PRO1052          HG1       PRO1052  -3.843 -32.139  -7.603
 1091   2HG   PRO1052          HG2       PRO1052  -3.265 -31.068  -8.891
 1092   1HD   PRO1052          HD1       PRO1052  -3.778 -30.460  -6.003
 1093   2HD   PRO1052          HD2       PRO1052  -2.443 -29.927  -7.049
 1094    H    HIS1053           H        HIS1053  -7.216 -27.504  -7.686
 1095    HA   HIS1053           HA       HIS1053  -9.149 -28.963  -6.154
 1096   1HB   HIS1053          HB1       HIS1053  -7.358 -28.202  -4.472
 1097   2HB   HIS1053          HB2       HIS1053  -7.928 -26.565  -4.782
 1098    HD1  HIS1053           HD1      HIS1053  -8.885 -29.770  -3.123
 1099    HD2  HIS1053           HD2      HIS1053 -10.457 -25.960  -3.693
 1100    HE1  HIS1053           HE1      HIS1053 -10.832 -29.591  -1.542
 1101    HE2  HIS1053           HE2      HIS1053 -11.860 -27.341  -2.013
  Start of MODEL   23
    1   1H    ARG 920           H        ARG 920  -7.703 -19.815  -3.369
    2    HA   ARG 920           HA       ARG 920  -8.860 -19.710  -0.669
    3   1HB   ARG 920          HB1       ARG 920  -6.384 -19.750  -0.798
    4   2HB   ARG 920          HB2       ARG 920  -6.436 -18.285  -1.774
    5   1HG   ARG 920          HG1       ARG 920  -5.916 -17.640   0.447
    6   2HG   ARG 920          HG2       ARG 920  -7.584 -17.150   0.134
    7   1HD   ARG 920          HD1       ARG 920  -8.261 -19.357   1.201
    8   2HD   ARG 920          HD2       ARG 920  -6.589 -19.475   1.746
    9    HE   ARG 920           HE       ARG 920  -7.678 -16.977   2.491
   10   1HH1  ARG 920          2HH1      ARG 920  -7.910 -20.380   3.269
   11   2HH1  ARG 920          1HH1      ARG 920  -8.315 -20.098   4.941
   12   1HH2  ARG 920          2HH2      ARG 920  -8.237 -16.609   4.722
   13   2HH2  ARG 920          1HH2      ARG 920  -8.489 -17.989   5.748
   14    H    SER 921           H        SER 921 -10.546 -18.345  -0.518
   15    HA   SER 921           HA       SER 921 -10.949 -16.043  -2.065
   16   1HB   SER 921          HB1       SER 921 -11.651 -16.515   0.846
   17   2HB   SER 921          HB2       SER 921 -12.360 -15.282  -0.197
   18    HG   SER 921           HG       SER 921 -13.745 -17.026  -0.149
   19    H    ASN 922           H        ASN 922  -9.869 -14.139  -2.065
   20    HA   ASN 922           HA       ASN 922  -7.360 -14.086  -0.943
   21   1HB   ASN 922          HB1       ASN 922  -8.410 -11.512  -1.870
   22   2HB   ASN 922          HB2       ASN 922  -6.930 -12.353  -2.317
   23   1HD2  ASN 922          2HD2      ASN 922  -7.076 -14.106  -3.809
   24   2HD2  ASN 922          1HD2      ASN 922  -8.325 -14.121  -5.004
   25    H    ASP 923           H        ASP 923  -7.538 -14.310   1.114
   26    HA   ASP 923           HA       ASP 923  -9.051 -13.189   3.048
   27   1HB   ASP 923          HB1       ASP 923  -7.384 -15.106   3.087
   28   2HB   ASP 923          HB2       ASP 923  -6.133 -13.895   3.341
   29    H    LYS 924           H        LYS 924  -7.733 -12.003   4.959
   30    HA   LYS 924           HA       LYS 924  -7.911  -9.335   4.749
   31   1HB   LYS 924          HB1       LYS 924  -7.045 -10.994   6.678
   32   2HB   LYS 924          HB2       LYS 924  -5.508 -10.275   6.231
   33   1HG   LYS 924          HG1       LYS 924  -7.944  -8.727   7.099
   34   2HG   LYS 924          HG2       LYS 924  -6.596  -9.168   8.147
   35   1HD   LYS 924          HD1       LYS 924  -5.079  -7.881   6.701
   36   2HD   LYS 924          HD2       LYS 924  -6.452  -7.420   5.692
   37   1HE   LYS 924          HE1       LYS 924  -5.980  -6.703   8.583
   38   2HE   LYS 924          HE2       LYS 924  -5.956  -5.616   7.192
   39   1HZ   LYS 924          HZ1       LYS 924  -8.329  -7.061   8.259
   40   2HZ   LYS 924          HZ2       LYS 924  -8.031  -5.393   8.357
   41   3HZ   LYS 924          HZ3       LYS 924  -8.325  -6.111   6.853
   42    H    VAL 925           H        VAL 925  -5.284 -11.230   3.429
   43    HA   VAL 925           HA       VAL 925  -3.388  -9.289   2.916
   44    HB   VAL 925           HB       VAL 925  -2.869 -10.725   0.845
   45   1HG1  VAL 925          1HG1      VAL 925  -1.902 -12.503   2.235
   46   2HG1  VAL 925          2HG1      VAL 925  -1.681 -10.922   2.986
   47   3HG1  VAL 925          3HG1      VAL 925  -2.929 -12.016   3.584
   48   1HG2  VAL 925          1HG2      VAL 925  -3.887 -12.947   0.829
   49   2HG2  VAL 925          2HG2      VAL 925  -4.955 -12.477   2.152
   50   3HG2  VAL 925          3HG2      VAL 925  -5.100 -11.691   0.579
   51    H    TYR 926           H        TYR 926  -6.212 -10.239   0.781
   52    HA   TYR 926           HA       TYR 926  -5.282  -8.299  -1.181
   53   1HB   TYR 926          HB1       TYR 926  -6.397 -10.119  -2.152
   54   2HB   TYR 926          HB2       TYR 926  -7.679 -10.116  -0.946
   55    HD1  TYR 926           HD1      TYR 926  -9.703  -9.079  -1.395
   56    HD2  TYR 926           HD2      TYR 926  -6.318  -8.115  -3.783
   57    HE1  TYR 926           HE1      TYR 926 -11.140  -7.762  -2.885
   58    HE2  TYR 926           HE2      TYR 926  -7.749  -6.791  -5.285
   59    HH   TYR 926           HH       TYR 926 -10.997  -5.981  -4.475
   60    H    GLU 927           H        GLU 927  -7.537  -8.539   1.434
   61    HA   GLU 927           HA       GLU 927  -9.244  -6.394   0.792
   62   1HB   GLU 927          HB1       GLU 927  -9.296  -8.428   2.591
   63   2HB   GLU 927          HB2       GLU 927  -8.884  -7.076   3.638
   64   1HG   GLU 927          HG1       GLU 927 -11.010  -6.333   1.865
   65   2HG   GLU 927          HG2       GLU 927 -11.411  -7.816   2.729
   66    H    ASN 928           H        ASN 928  -6.414  -6.624   2.932
   67    HA   ASN 928           HA       ASN 928  -6.771  -3.960   3.902
   68   1HB   ASN 928          HB1       ASN 928  -5.616  -5.852   5.131
   69   2HB   ASN 928          HB2       ASN 928  -4.227  -5.549   4.091
   70   1HD2  ASN 928          2HD2      ASN 928  -3.149  -3.543   4.255
   71   2HD2  ASN 928          1HD2      ASN 928  -3.285  -2.577   5.678
   72    H    VAL 929           H        VAL 929  -4.609  -5.431   1.488
   73    HA   VAL 929           HA       VAL 929  -3.181  -3.076   0.963
   74    HB   VAL 929           HB       VAL 929  -3.727  -5.194  -1.111
   75   1HG1  VAL 929          1HG1      VAL 929  -1.520  -4.518  -1.931
   76   2HG1  VAL 929          2HG1      VAL 929  -2.644  -3.159  -1.909
   77   3HG1  VAL 929          3HG1      VAL 929  -1.416  -3.308  -0.653
   78   1HG2  VAL 929          1HG2      VAL 929  -1.781  -6.360  -0.272
   79   2HG2  VAL 929          2HG2      VAL 929  -1.585  -5.161   1.008
   80   3HG2  VAL 929          3HG2      VAL 929  -2.996  -6.221   0.998
   81    H    THR 930           H        THR 930  -6.263  -4.226  -0.362
   82    HA   THR 930           HA       THR 930  -6.510  -1.966  -2.109
   83    HB   THR 930           HB       THR 930  -9.032  -2.558  -1.960
   84    HG1  THR 930           HG1      THR 930  -8.057  -5.050  -1.031
   85   1HG2  THR 930          1HG2      THR 930  -8.735  -4.445  -3.513
   86   2HG2  THR 930          2HG2      THR 930  -7.649  -3.103  -3.881
   87   3HG2  THR 930          3HG2      THR 930  -7.035  -4.537  -3.057
   88    H    GLY 931           H        GLY 931  -7.239  -2.706   1.213
   89   1HA   GLY 931          HA1       GLY 931  -8.463  -0.319   2.001
   90   2HA   GLY 931          HA2       GLY 931  -7.414  -1.294   3.020
   91    H    LEU 932           H        LEU 932  -5.060  -0.978   1.259
   92    HA   LEU 932           HA       LEU 932  -3.994   1.449   2.232
   93   1HB   LEU 932          HB1       LEU 932  -2.858  -0.729   1.281
   94   2HB   LEU 932          HB2       LEU 932  -2.978   0.100  -0.256
   95    HG   LEU 932           HG       LEU 932  -1.511   1.208   2.149
   96   1HD1  LEU 932          1HD1      LEU 932   0.532   0.537   0.996
   97   2HD1  LEU 932          2HD1      LEU 932  -0.471  -0.860   1.389
   98   3HD1  LEU 932          3HD1      LEU 932  -0.428  -0.242  -0.262
   99   1HD2  LEU 932          1HD2      LEU 932  -1.483   2.009  -0.764
  100   2HD2  LEU 932          2HD2      LEU 932  -2.238   2.910   0.551
  101   3HD2  LEU 932          3HD2      LEU 932  -0.487   2.709   0.512
  102    H    VAL 933           H        VAL 933  -5.500   0.492  -0.799
  103    HA   VAL 933           HA       VAL 933  -5.319   2.973  -2.130
  104    HB   VAL 933           HB       VAL 933  -7.428   0.825  -2.414
  105   1HG1  VAL 933          1HG1      VAL 933  -6.665   3.057  -4.293
  106   2HG1  VAL 933          2HG1      VAL 933  -7.819   1.766  -4.635
  107   3HG1  VAL 933          3HG1      VAL 933  -8.162   2.941  -3.365
  108   1HG2  VAL 933          1HG2      VAL 933  -4.864   1.267  -3.944
  109   2HG2  VAL 933          2HG2      VAL 933  -5.183  -0.035  -2.798
  110   3HG2  VAL 933          3HG2      VAL 933  -6.085   0.045  -4.311
  111    H    LYS 934           H        LYS 934  -7.785   1.600   0.016
  112    HA   LYS 934           HA       LYS 934  -9.641   3.686  -0.095
  113   1HB   LYS 934          HB1       LYS 934  -9.035   2.071   2.383
  114   2HB   LYS 934          HB2       LYS 934 -10.545   2.861   1.971
  115   1HG   LYS 934          HG1       LYS 934  -9.364   0.509   0.512
  116   2HG   LYS 934          HG2       LYS 934 -10.627   0.419   1.736
  117   1HD   LYS 934          HD1       LYS 934 -11.957   0.427  -0.097
  118   2HD   LYS 934          HD2       LYS 934 -11.774   2.172   0.076
  119   1HE   LYS 934          HE1       LYS 934 -10.134   2.264  -1.625
  120   2HE   LYS 934          HE2       LYS 934  -9.925   0.512  -1.621
  121   1HZ   LYS 934          HZ1       LYS 934 -12.351   1.980  -2.517
  122   2HZ   LYS 934          HZ2       LYS 934 -11.224   1.207  -3.519
  123   3HZ   LYS 934          HZ3       LYS 934 -12.191   0.292  -2.470
  124    H    ALA 935           H        ALA 935  -6.668   3.320   1.719
  125    HA   ALA 935           HA       ALA 935  -7.146   5.611   3.381
  126   1HB   ALA 935          HB1       ALA 935  -4.602   4.073   2.934
  127   2HB   ALA 935          HB2       ALA 935  -4.909   5.237   4.222
  128   3HB   ALA 935          HB3       ALA 935  -5.813   3.723   4.167
  129    H    VAL 936           H        VAL 936  -5.533   5.042   0.295
  130    HA   VAL 936           HA       VAL 936  -4.559   7.758   0.286
  131    HB   VAL 936           HB       VAL 936  -3.304   6.022  -0.922
  132   1HG1  VAL 936          1HG1      VAL 936  -5.582   6.050  -2.901
  133   2HG1  VAL 936          2HG1      VAL 936  -4.071   5.151  -3.044
  134   3HG1  VAL 936          3HG1      VAL 936  -5.224   4.739  -1.777
  135   1HG2  VAL 936          1HG2      VAL 936  -2.893   7.319  -2.973
  136   2HG2  VAL 936          2HG2      VAL 936  -4.344   8.266  -2.645
  137   3HG2  VAL 936          3HG2      VAL 936  -2.977   8.330  -1.531
  138    H    ILE 937           H        ILE 937  -7.472   6.154  -0.378
  139    HA   ILE 937           HA       ILE 937  -8.718   8.294  -1.776
  140    HB   ILE 937           HB       ILE 937  -9.919   6.228   0.076
  141   1HG1  ILE 937          1HG1      ILE 937  -9.868   6.457  -2.941
  142   2HG1  ILE 937          2HG1      ILE 937  -8.973   5.291  -1.972
  143   1HG2  ILE 937          1HG2      ILE 937 -12.097   6.892  -0.846
  144   2HG2  ILE 937          2HG2      ILE 937 -11.331   8.208   0.045
  145   3HG2  ILE 937          3HG2      ILE 937 -11.316   8.210  -1.720
  146   1HD1  ILE 937          1HD1      ILE 937 -11.077   4.290  -1.241
  147   2HD1  ILE 937          2HD1      ILE 937 -11.967   5.456  -2.220
  148   3HD1  ILE 937          3HD1      ILE 937 -10.916   4.274  -2.998
  149    H    GLU 938           H        GLU 938  -8.330   7.443   1.653
  150    HA   GLU 938           HA       GLU 938  -9.354   9.705   2.879
  151   1HB   GLU 938          HB1       GLU 938  -6.850   8.152   3.575
  152   2HB   GLU 938          HB2       GLU 938  -7.546   9.390   4.609
  153   1HG   GLU 938          HG1       GLU 938  -8.906   6.840   3.760
  154   2HG   GLU 938          HG2       GLU 938  -8.176   7.153   5.335
  155    H    MET 939           H        MET 939  -6.185   9.225   1.409
  156    HA   MET 939           HA       MET 939  -5.077  11.714   1.964
  157   1HB   MET 939          HB1       MET 939  -3.721   9.925   1.081
  158   2HB   MET 939          HB2       MET 939  -4.669   9.879  -0.400
  159   1HG   MET 939          HG1       MET 939  -3.856  12.085  -1.004
  160   2HG   MET 939          HG2       MET 939  -2.941  12.173   0.499
  161   1HE   MET 939          HE1       MET 939  -0.130  11.831  -2.168
  162   2HE   MET 939          HE2       MET 939  -1.627  12.759  -2.250
  163   3HE   MET 939          HE3       MET 939  -0.695  12.723  -0.754
  164    H    SER 940           H        SER 940  -7.169  10.678  -0.668
  165    HA   SER 940           HA       SER 940  -7.052  13.105  -2.123
  166   1HB   SER 940          HB1       SER 940  -9.171  10.944  -2.140
  167   2HB   SER 940          HB2       SER 940  -8.960  12.193  -3.369
  168    HG   SER 940           HG       SER 940  -6.995  10.255  -2.663
  169    H    SER 941           H        SER 941  -9.193  11.923   0.463
  170    HA   SER 941           HA       SER 941 -11.062  14.089   0.049
  171   1HB   SER 941          HB1       SER 941 -12.041  13.188   2.235
  172   2HB   SER 941          HB2       SER 941 -12.039  12.078   0.865
  173    HG   SER 941           HG       SER 941 -10.807  11.853   3.276
  174    H    LYS 942           H        LYS 942  -8.525  13.195   2.253
  175    HA   LYS 942           HA       LYS 942  -8.658  15.178   4.156
  176   1HB   LYS 942          HB1       LYS 942  -6.659  13.317   3.124
  177   2HB   LYS 942          HB2       LYS 942  -5.955  14.782   3.803
  178   1HG   LYS 942          HG1       LYS 942  -7.990  13.130   5.263
  179   2HG   LYS 942          HG2       LYS 942  -6.246  12.856   5.391
  180   1HD   LYS 942          HD1       LYS 942  -5.871  14.984   6.295
  181   2HD   LYS 942          HD2       LYS 942  -7.480  15.545   5.828
  182   1HE   LYS 942          HE1       LYS 942  -7.231  15.076   8.268
  183   2HE   LYS 942          HE2       LYS 942  -8.518  14.161   7.484
  184   1HZ   LYS 942          HZ1       LYS 942  -5.805  13.118   8.097
  185   2HZ   LYS 942          HZ2       LYS 942  -7.207  12.789   8.987
  186   3HZ   LYS 942          HZ3       LYS 942  -7.075  12.245   7.388
  187    H    ILE 943           H        ILE 943  -6.930  15.280   1.039
  188    HA   ILE 943           HA       ILE 943  -5.768  17.798   1.647
  189    HB   ILE 943           HB       ILE 943  -4.691  16.217   0.100
  190   1HG1  ILE 943          1HG1      ILE 943  -5.383  18.833  -1.254
  191   2HG1  ILE 943          2HG1      ILE 943  -4.173  18.645   0.011
  192   1HG2  ILE 943          1HG2      ILE 943  -5.512  16.009  -2.216
  193   2HG2  ILE 943          2HG2      ILE 943  -6.622  15.322  -1.028
  194   3HG2  ILE 943          3HG2      ILE 943  -6.967  16.893  -1.753
  195   1HD1  ILE 943          1HD1      ILE 943  -4.093  17.330  -2.695
  196   2HD1  ILE 943          2HD1      ILE 943  -3.167  18.748  -2.203
  197   3HD1  ILE 943          3HD1      ILE 943  -2.871  17.189  -1.432
  198    H    GLN 944           H        GLN 944  -8.780  16.844   0.153
  199    HA   GLN 944           HA       GLN 944  -9.254  19.075  -1.436
  200   1HB   GLN 944          HB1       GLN 944 -11.306  17.435   0.052
  201   2HB   GLN 944          HB2       GLN 944 -11.645  18.533  -1.279
  202   1HG   GLN 944          HG1       GLN 944 -10.266  17.168  -2.756
  203   2HG   GLN 944          HG2       GLN 944  -9.932  16.068  -1.420
  204   1HE2  GLN 944          2HE2      GLN 944 -11.117  15.404  -3.914
  205   2HE2  GLN 944          1HE2      GLN 944 -12.709  14.810  -3.580
  206    HA   PRO 945           HA       PRO 945 -11.251  21.586   1.909
  207   1HB   PRO 945          HB1       PRO 945 -12.308  20.574   4.147
  208   2HB   PRO 945          HB2       PRO 945 -13.060  20.323   2.568
  209   1HG   PRO 945          HG1       PRO 945 -11.588  18.414   4.269
  210   2HG   PRO 945          HG2       PRO 945 -12.792  18.103   3.011
  211   1HD   PRO 945          HD1       PRO 945  -9.920  17.984   2.803
  212   2HD   PRO 945          HD2       PRO 945 -11.130  17.612   1.562
  213    H    ALA 946           H        ALA 946  -8.733  19.605   3.127
  214    HA   ALA 946           HA       ALA 946  -8.471  21.171   5.583
  215   1HB   ALA 946          HB1       ALA 946  -8.431  18.753   5.800
  216   2HB   ALA 946          HB2       ALA 946  -7.036  18.670   4.723
  217   3HB   ALA 946          HB3       ALA 946  -6.893  19.457   6.296
  218    HA   PRO 947           HA       PRO 947  -5.087  23.568   4.121
  219   1HB   PRO 947          HB1       PRO 947  -3.978  23.736   6.798
  220   2HB   PRO 947          HB2       PRO 947  -4.878  24.957   5.898
  221   1HG   PRO 947          HG1       PRO 947  -5.857  23.713   8.109
  222   2HG   PRO 947          HG2       PRO 947  -6.887  24.332   6.806
  223   1HD   PRO 947          HD1       PRO 947  -5.965  21.527   7.324
  224   2HD   PRO 947          HD2       PRO 947  -7.569  22.116   6.831
  225    HA   PRO 948           HA       PRO 948  -1.133  21.481   3.736
  226   1HB   PRO 948          HB1       PRO 948   0.189  23.648   5.280
  227   2HB   PRO 948          HB2       PRO 948   0.591  22.995   3.687
  228   1HG   PRO 948          HG1       PRO 948  -0.601  25.360   3.910
  229   2HG   PRO 948          HG2       PRO 948  -1.063  24.233   2.620
  230   1HD   PRO 948          HD1       PRO 948  -2.478  24.886   5.168
  231   2HD   PRO 948          HD2       PRO 948  -3.147  24.557   3.556
  232    H    GLU 949           H        GLU 949  -1.926  22.758   6.889
  233    HA   GLU 949           HA       GLU 949  -0.257  21.261   8.525
  234   1HB   GLU 949          HB1       GLU 949  -3.147  22.012   9.005
  235   2HB   GLU 949          HB2       GLU 949  -1.996  21.528  10.242
  236   1HG   GLU 949          HG1       GLU 949  -0.627  23.491   9.729
  237   2HG   GLU 949          HG2       GLU 949  -1.801  23.981   8.510
  238    H    GLU 950           H        GLU 950  -3.048  20.343   6.666
  239    HA   GLU 950           HA       GLU 950  -2.930  17.639   7.775
  240   1HB   GLU 950          HB1       GLU 950  -5.059  19.236   6.612
  241   2HB   GLU 950          HB2       GLU 950  -4.923  17.649   5.861
  242   1HG   GLU 950          HG1       GLU 950  -6.515  17.588   7.663
  243   2HG   GLU 950          HG2       GLU 950  -5.113  16.595   8.051
  244    H    TYR 951           H        TYR 951  -1.637  19.397   5.235
  245    HA   TYR 951           HA       TYR 951  -1.747  17.606   3.089
  246   1HB   TYR 951          HB1       TYR 951   0.317  19.602   3.962
  247   2HB   TYR 951          HB2       TYR 951   0.681  18.503   2.640
  248    HD1  TYR 951           HD1      TYR 951  -2.784  19.231   2.607
  249    HD2  TYR 951           HD2      TYR 951   1.020  20.843   1.599
  250    HE1  TYR 951           HE1      TYR 951  -3.858  20.761   1.005
  251    HE2  TYR 951           HE2      TYR 951  -0.037  22.374   0.008
  252    HH   TYR 951           HH       TYR 951  -3.305  23.018  -0.064
  253    H    VAL 952           H        VAL 952   0.443  17.763   5.859
  254    HA   VAL 952           HA       VAL 952   1.737  15.338   5.055
  255    HB   VAL 952           HB       VAL 952   3.277  16.459   6.243
  256   1HG1  VAL 952          1HG1      VAL 952   1.956  18.346   6.915
  257   2HG1  VAL 952          2HG1      VAL 952   1.150  17.399   8.166
  258   3HG1  VAL 952          3HG1      VAL 952   2.870  17.767   8.307
  259   1HG2  VAL 952          1HG2      VAL 952   1.941  14.871   8.430
  260   2HG2  VAL 952          2HG2      VAL 952   3.150  14.291   7.283
  261   3HG2  VAL 952          3HG2      VAL 952   3.586  15.503   8.488
  262    HA   PRO 953           HA       PRO 953  -1.082  13.296   8.637
  263   1HB   PRO 953          HB1       PRO 953  -3.325  15.179   8.076
  264   2HB   PRO 953          HB2       PRO 953  -2.970  14.270   9.555
  265   1HG   PRO 953          HG1       PRO 953  -2.366  16.826   9.449
  266   2HG   PRO 953          HG2       PRO 953  -1.197  15.679  10.136
  267   1HD   PRO 953          HD1       PRO 953  -1.190  17.022   7.464
  268   2HD   PRO 953          HD2       PRO 953   0.168  16.645   8.542
  269    H    MET 954           H        MET 954  -2.280  14.855   5.699
  270    HA   MET 954           HA       MET 954  -4.211  12.969   4.934
  271   1HB   MET 954          HB1       MET 954  -4.262  14.975   3.765
  272   2HB   MET 954          HB2       MET 954  -2.521  15.009   3.538
  273   1HG   MET 954          HG1       MET 954  -3.537  12.757   2.164
  274   2HG   MET 954          HG2       MET 954  -4.530  14.154   1.745
  275   1HE   MET 954          HE1       MET 954  -3.444  16.482   0.867
  276   2HE   MET 954          HE2       MET 954  -2.310  16.463   2.216
  277   3HE   MET 954          HE3       MET 954  -1.718  16.681   0.569
  278    H    VAL 955           H        VAL 955  -0.904  13.302   3.659
  279    HA   VAL 955           HA       VAL 955  -0.773  10.734   2.619
  280    HB   VAL 955           HB       VAL 955   1.506  12.441   3.640
  281   1HG1  VAL 955          1HG1      VAL 955   1.586   9.991   1.882
  282   2HG1  VAL 955          2HG1      VAL 955   2.956  11.035   2.263
  283   3HG1  VAL 955          3HG1      VAL 955   2.178  10.099   3.540
  284   1HG2  VAL 955          1HG2      VAL 955   0.398  11.999   0.867
  285   2HG2  VAL 955          2HG2      VAL 955   0.216  13.459   1.840
  286   3HG2  VAL 955          3HG2      VAL 955   1.811  12.973   1.269
  287    H    LYS 956           H        LYS 956  -0.491  11.761   5.927
  288    HA   LYS 956           HA       LYS 956   0.834   9.421   6.868
  289   1HB   LYS 956          HB1       LYS 956   0.470  11.583   8.173
  290   2HB   LYS 956          HB2       LYS 956  -1.169  11.010   8.461
  291   1HG   LYS 956          HG1       LYS 956   0.329  10.511  10.340
  292   2HG   LYS 956          HG2       LYS 956  -0.322   9.047   9.601
  293   1HD   LYS 956          HD1       LYS 956   1.784   8.867   8.275
  294   2HD   LYS 956          HD2       LYS 956   2.427  10.221   9.203
  295   1HE   LYS 956          HE1       LYS 956   1.504   7.590  10.358
  296   2HE   LYS 956          HE2       LYS 956   3.182   8.036  10.057
  297   1HZ   LYS 956          HZ1       LYS 956   1.323   9.070  12.094
  298   2HZ   LYS 956          HZ2       LYS 956   2.920   8.525  12.266
  299   3HZ   LYS 956          HZ3       LYS 956   2.615  10.038  11.564
  300    H    GLU 957           H        GLU 957  -2.458  10.216   6.071
  301    HA   GLU 957           HA       GLU 957  -3.744   7.931   6.991
  302   1HB   GLU 957          HB1       GLU 957  -4.326   9.359   4.383
  303   2HB   GLU 957          HB2       GLU 957  -5.422   8.293   5.248
  304   1HG   GLU 957          HG1       GLU 957  -4.419  10.980   6.140
  305   2HG   GLU 957          HG2       GLU 957  -6.059  10.557   5.651
  306    H    VAL 958           H        VAL 958  -2.070   8.413   3.834
  307    HA   VAL 958           HA       VAL 958  -2.364   5.658   3.116
  308    HB   VAL 958           HB       VAL 958  -1.034   6.030   1.234
  309   1HG1  VAL 958          1HG1      VAL 958  -2.244   8.705   1.910
  310   2HG1  VAL 958          2HG1      VAL 958  -1.804   8.144   0.296
  311   3HG1  VAL 958          3HG1      VAL 958  -3.085   7.331   1.197
  312   1HG2  VAL 958          1HG2      VAL 958   0.209   8.399   2.627
  313   2HG2  VAL 958          2HG2      VAL 958   0.978   6.843   2.313
  314   3HG2  VAL 958          3HG2      VAL 958   0.535   7.894   0.968
  315    H    GLY 959           H        GLY 959  -0.064   7.371   5.089
  316   1HA   GLY 959          HA1       GLY 959   1.971   5.365   5.060
  317   2HA   GLY 959          HA2       GLY 959   1.766   6.613   6.285
  318    H    LEU 960           H        LEU 960  -0.653   6.107   7.322
  319    HA   LEU 960           HA       LEU 960  -0.514   3.856   8.937
  320   1HB   LEU 960          HB1       LEU 960  -2.035   5.689   9.400
  321   2HB   LEU 960          HB2       LEU 960  -2.948   5.343   7.946
  322    HG   LEU 960           HG       LEU 960  -3.579   3.137   8.937
  323   1HD1  LEU 960          1HD1      LEU 960  -2.301   4.293  11.409
  324   2HD1  LEU 960          2HD1      LEU 960  -3.298   2.839  11.355
  325   3HD1  LEU 960          3HD1      LEU 960  -1.751   2.880  10.508
  326   1HD2  LEU 960          1HD2      LEU 960  -5.238   4.063  10.465
  327   2HD2  LEU 960          2HD2      LEU 960  -4.347   5.584  10.517
  328   3HD2  LEU 960          3HD2      LEU 960  -5.087   5.045   9.008
  329    H    ALA 961           H        ALA 961  -1.767   4.244   5.725
  330    HA   ALA 961           HA       ALA 961  -3.212   1.870   5.439
  331   1HB   ALA 961          HB1       ALA 961  -1.634   3.307   3.318
  332   2HB   ALA 961          HB2       ALA 961  -2.923   2.134   3.045
  333   3HB   ALA 961          HB3       ALA 961  -3.286   3.682   3.807
  334    H    LEU 962           H        LEU 962   0.191   2.472   4.415
  335    HA   LEU 962           HA       LEU 962   0.612  -0.285   3.907
  336   1HB   LEU 962          HB1       LEU 962   1.866   1.380   2.699
  337   2HB   LEU 962          HB2       LEU 962   2.571   1.986   4.189
  338    HG   LEU 962           HG       LEU 962   3.061  -0.873   3.618
  339   1HD1  LEU 962          1HD1      LEU 962   3.234   0.104   1.384
  340   2HD1  LEU 962          2HD1      LEU 962   4.370   1.303   2.001
  341   3HD1  LEU 962          3HD1      LEU 962   4.806  -0.406   1.998
  342   1HD2  LEU 962          1HD2      LEU 962   4.050   0.253   5.548
  343   2HD2  LEU 962          2HD2      LEU 962   5.297  -0.276   4.419
  344   3HD2  LEU 962          3HD2      LEU 962   4.824   1.421   4.478
  345    H    ARG 963           H        ARG 963   1.287   1.758   6.765
  346    HA   ARG 963           HA       ARG 963   2.623  -0.109   8.295
  347   1HB   ARG 963          HB1       ARG 963   2.138   2.240   8.945
  348   2HB   ARG 963          HB2       ARG 963   0.468   1.786   9.246
  349   1HG   ARG 963          HG1       ARG 963   1.152   0.310  11.034
  350   2HG   ARG 963          HG2       ARG 963   2.850   0.655  10.697
  351   1HD   ARG 963          HD1       ARG 963   2.418   3.041  11.197
  352   2HD   ARG 963          HD2       ARG 963   0.764   2.619  11.634
  353    HE   ARG 963           HE       ARG 963   2.356   0.999  13.186
  354   1HH1  ARG 963          2HH1      ARG 963   1.932   4.442  12.726
  355   2HH1  ARG 963          1HH1      ARG 963   2.439   4.856  14.341
  356   1HH2  ARG 963          2HH2      ARG 963   3.002   1.525  15.308
  357   2HH2  ARG 963          1HH2      ARG 963   3.055   3.188  15.805
  358    H    THR 964           H        THR 964  -0.908   0.396   8.296
  359    HA   THR 964           HA       THR 964  -1.605  -1.930   9.656
  360    HB   THR 964           HB       THR 964  -3.236  -0.676   7.437
  361    HG1  THR 964           HG1      THR 964  -2.917   1.008   8.763
  362   1HG2  THR 964          1HG2      THR 964  -4.120  -2.805   8.254
  363   2HG2  THR 964          2HG2      THR 964  -4.034  -2.216   9.913
  364   3HG2  THR 964          3HG2      THR 964  -5.147  -1.468   8.769
  365    H    LEU 965           H        LEU 965  -0.851  -1.413   6.281
  366    HA   LEU 965           HA       LEU 965  -1.486  -3.966   5.291
  367   1HB   LEU 965          HB1       LEU 965  -1.093  -2.083   3.832
  368   2HB   LEU 965          HB2       LEU 965   0.544  -1.907   4.423
  369    HG   LEU 965           HG       LEU 965   0.115  -2.956   2.090
  370   1HD1  LEU 965          1HD1      LEU 965   2.118  -4.330   2.314
  371   2HD1  LEU 965          2HD1      LEU 965   2.301  -2.783   3.140
  372   3HD1  LEU 965          3HD1      LEU 965   1.983  -4.247   4.071
  373   1HD2  LEU 965          1HD2      LEU 965  -0.124  -5.376   2.109
  374   2HD2  LEU 965          2HD2      LEU 965  -0.312  -5.356   3.862
  375   3HD2  LEU 965          3HD2      LEU 965  -1.531  -4.600   2.835
  376    H    LEU 966           H        LEU 966   1.295  -2.708   6.971
  377    HA   LEU 966           HA       LEU 966   3.045  -4.882   6.567
  378   1HB   LEU 966          HB1       LEU 966   3.705  -2.660   7.474
  379   2HB   LEU 966          HB2       LEU 966   2.908  -3.070   8.978
  380    HG   LEU 966           HG       LEU 966   4.493  -4.926   9.308
  381   1HD1  LEU 966          1HD1      LEU 966   4.981  -5.409   6.966
  382   2HD1  LEU 966          2HD1      LEU 966   5.815  -3.861   6.815
  383   3HD1  LEU 966          3HD1      LEU 966   6.461  -5.113   7.878
  384   1HD2  LEU 966          1HD2      LEU 966   4.970  -2.747  10.279
  385   2HD2  LEU 966          2HD2      LEU 966   6.463  -3.544   9.779
  386   3HD2  LEU 966          3HD2      LEU 966   5.782  -2.248   8.795
  387    H    ALA 967           H        ALA 967   0.344  -4.430   8.739
  388    HA   ALA 967           HA       ALA 967   0.759  -6.746  10.332
  389   1HB   ALA 967          HB1       ALA 967  -1.624  -6.592  10.859
  390   2HB   ALA 967          HB2       ALA 967  -0.851  -5.010  10.951
  391   3HB   ALA 967          HB3       ALA 967  -1.844  -5.426   9.554
  392    H    THR 968           H        THR 968  -0.971  -6.187   7.305
  393    HA   THR 968           HA       THR 968  -1.784  -8.848   6.820
  394    HB   THR 968           HB       THR 968  -1.237  -6.515   4.997
  395    HG1  THR 968           HG1      THR 968  -3.705  -7.809   5.182
  396   1HG2  THR 968          1HG2      THR 968  -2.253  -9.230   4.145
  397   2HG2  THR 968          2HG2      THR 968  -2.178  -7.786   3.137
  398   3HG2  THR 968          3HG2      THR 968  -0.690  -8.531   3.718
  399    H    VAL 969           H        VAL 969   1.173  -7.097   6.061
  400    HA   VAL 969           HA       VAL 969   2.549  -9.077   4.675
  401    HB   VAL 969           HB       VAL 969   3.692  -7.043   6.600
  402   1HG1  VAL 969          1HG1      VAL 969   5.293  -8.840   6.157
  403   2HG1  VAL 969          2HG1      VAL 969   5.070  -8.617   4.422
  404   3HG1  VAL 969          3HG1      VAL 969   5.799  -7.335   5.389
  405   1HG2  VAL 969          1HG2      VAL 969   4.112  -5.720   4.585
  406   2HG2  VAL 969          2HG2      VAL 969   3.319  -6.956   3.609
  407   3HG2  VAL 969          3HG2      VAL 969   2.391  -6.044   4.799
  408    H    ASP 970           H        ASP 970   1.933  -8.796   8.121
  409    HA   ASP 970           HA       ASP 970   3.767 -10.895   8.848
  410   1HB   ASP 970          HB1       ASP 970   3.209  -9.160  10.474
  411   2HB   ASP 970          HB2       ASP 970   1.505  -9.589  10.383
  412    H    GLU 971           H        GLU 971   0.483 -10.711   7.873
  413    HA   GLU 971           HA       GLU 971  -0.185 -13.428   8.447
  414   1HB   GLU 971          HB1       GLU 971  -1.226 -11.626   6.245
  415   2HB   GLU 971          HB2       GLU 971  -1.982 -13.112   6.806
  416   1HG   GLU 971          HG1       GLU 971  -1.528 -10.694   8.528
  417   2HG   GLU 971          HG2       GLU 971  -3.035 -11.039   7.670
  418    H    SER 972           H        SER 972   0.873 -11.741   5.555
  419    HA   SER 972           HA       SER 972   1.199 -14.029   3.954
  420   1HB   SER 972          HB1       SER 972   0.795 -11.873   2.978
  421   2HB   SER 972          HB2       SER 972   2.281 -11.223   3.689
  422    HG   SER 972           HG       SER 972   3.059 -13.293   2.353
  423    H    LEU 973           H        LEU 973   3.302 -12.519   6.282
  424    HA   LEU 973           HA       LEU 973   5.779 -13.349   5.240
  425   1HB   LEU 973          HB1       LEU 973   5.555 -11.627   6.980
  426   2HB   LEU 973          HB2       LEU 973   5.020 -12.843   8.125
  427    HG   LEU 973           HG       LEU 973   7.233 -13.947   7.945
  428   1HD1  LEU 973          1HD1      LEU 973   7.965 -11.530   6.301
  429   2HD1  LEU 973          2HD1      LEU 973   9.076 -12.774   6.874
  430   3HD1  LEU 973          3HD1      LEU 973   7.823 -13.182   5.701
  431   1HD2  LEU 973          1HD2      LEU 973   7.315 -11.030   8.708
  432   2HD2  LEU 973          2HD2      LEU 973   6.772 -12.356   9.737
  433   3HD2  LEU 973          3HD2      LEU 973   8.458 -12.268   9.228
  434    HA   PRO 974           HA       PRO 974   5.390 -17.438   7.937
  435   1HB   PRO 974          HB1       PRO 974   2.403 -17.455   8.016
  436   2HB   PRO 974          HB2       PRO 974   3.562 -18.134   9.167
  437   1HG   PRO 974          HG1       PRO 974   2.303 -15.871   9.724
  438   2HG   PRO 974          HG2       PRO 974   4.021 -16.067  10.123
  439   1HD   PRO 974          HD1       PRO 974   2.755 -14.543   7.889
  440   2HD   PRO 974          HD2       PRO 974   4.188 -14.146   8.857
  441    H    VAL 975           H        VAL 975   2.970 -16.225   5.648
  442    HA   VAL 975           HA       VAL 975   2.922 -18.739   4.196
  443    HB   VAL 975           HB       VAL 975   1.981 -16.136   3.015
  444   1HG1  VAL 975          1HG1      VAL 975   1.041 -18.997   2.766
  445   2HG1  VAL 975          2HG1      VAL 975   0.345 -17.609   1.929
  446   3HG1  VAL 975          3HG1      VAL 975   2.000 -18.111   1.578
  447   1HG2  VAL 975          1HG2      VAL 975   1.066 -16.266   5.291
  448   2HG2  VAL 975          2HG2      VAL 975  -0.188 -16.488   4.073
  449   3HG2  VAL 975          3HG2      VAL 975   0.448 -17.881   4.947
  450    H    LEU 976           H        LEU 976   5.104 -16.187   4.375
  451    HA   LEU 976           HA       LEU 976   6.120 -16.165   1.745
  452   1HB   LEU 976          HB1       LEU 976   6.698 -14.326   3.039
  453   2HB   LEU 976          HB2       LEU 976   7.213 -15.297   4.401
  454    HG   LEU 976           HG       LEU 976   8.787 -15.310   1.839
  455   1HD1  LEU 976          1HD1      LEU 976   8.999 -13.281   4.059
  456   2HD1  LEU 976          2HD1      LEU 976  10.139 -13.468   2.726
  457   3HD1  LEU 976          3HD1      LEU 976   8.480 -12.964   2.405
  458   1HD2  LEU 976          1HD2      LEU 976   9.375 -16.942   3.570
  459   2HD2  LEU 976          2HD2      LEU 976  10.656 -15.750   3.346
  460   3HD2  LEU 976          3HD2      LEU 976   9.574 -15.632   4.734
  461    HA   PRO 977           HA       PRO 977   9.276 -19.580   3.195
  462   1HB   PRO 977          HB1       PRO 977   7.795 -20.788   5.453
  463   2HB   PRO 977          HB2       PRO 977   9.527 -20.489   5.279
  464   1HG   PRO 977          HG1       PRO 977   8.016 -19.012   6.916
  465   2HG   PRO 977          HG2       PRO 977   9.358 -18.301   5.997
  466   1HD   PRO 977          HD1       PRO 977   6.417 -18.166   5.482
  467   2HD   PRO 977          HD2       PRO 977   7.657 -16.912   5.286
  468    H    ALA 978           H        ALA 978   5.816 -19.903   3.806
  469    HA   ALA 978           HA       ALA 978   5.413 -22.466   2.806
  470   1HB   ALA 978          HB1       ALA 978   3.536 -20.127   2.503
  471   2HB   ALA 978          HB2       ALA 978   3.112 -21.837   2.460
  472   3HB   ALA 978          HB3       ALA 978   3.694 -21.111   3.958
  473    H    SER 979           H        SER 979   5.173 -19.374   1.019
  474    HA   SER 979           HA       SER 979   6.307 -20.434  -1.361
  475   1HB   SER 979          HB1       SER 979   3.308 -20.351  -1.130
  476   2HB   SER 979          HB2       SER 979   4.085 -20.113  -2.699
  477    HG   SER 979           HG       SER 979   4.894 -22.295  -1.141
  478    H    THR 980           H        THR 980   4.616 -17.935   0.327
  479    HA   THR 980           HA       THR 980   4.197 -16.093  -1.735
  480    HB   THR 980           HB       THR 980   4.547 -15.485   1.195
  481    HG1  THR 980           HG1      THR 980   2.883 -16.883   1.099
  482   1HG2  THR 980          1HG2      THR 980   4.615 -13.488  -0.219
  483   2HG2  THR 980          2HG2      THR 980   3.117 -13.989  -1.006
  484   3HG2  THR 980          3HG2      THR 980   3.116 -13.556   0.704
  485    H    HIS 981           H        HIS 981   7.166 -16.783  -0.082
  486    HA   HIS 981           HA       HIS 981   8.317 -14.316   0.177
  487   1HB   HIS 981          HB1       HIS 981  10.317 -15.362   0.544
  488   2HB   HIS 981          HB2       HIS 981   9.240 -16.739   0.700
  489    HD1  HIS 981           HD1      HIS 981  11.850 -15.243  -1.543
  490    HD2  HIS 981           HD2      HIS 981   9.559 -18.713  -1.252
  491    HE1  HIS 981           HE1      HIS 981  12.853 -16.870  -3.185
  492    HE2  HIS 981           HE2      HIS 981  11.584 -19.021  -2.834
  493    H    ARG 982           H        ARG 982   7.624 -15.867  -2.818
  494    HA   ARG 982           HA       ARG 982   9.630 -14.526  -4.359
  495   1HB   ARG 982          HB1       ARG 982   8.348 -16.579  -5.101
  496   2HB   ARG 982          HB2       ARG 982   6.972 -15.523  -5.392
  497   1HG   ARG 982          HG1       ARG 982   8.430 -14.200  -6.942
  498   2HG   ARG 982          HG2       ARG 982   9.648 -15.465  -6.763
  499   1HD   ARG 982          HD1       ARG 982   8.439 -15.951  -8.744
  500   2HD   ARG 982          HD2       ARG 982   7.902 -17.103  -7.522
  501    HE   ARG 982           HE       ARG 982   6.275 -14.717  -7.729
  502   1HH1  ARG 982          2HH1      ARG 982   6.730 -18.045  -8.758
  503   2HH1  ARG 982          1HH1      ARG 982   5.109 -18.208  -9.369
  504   1HH2  ARG 982          2HH2      ARG 982   4.154 -14.936  -8.498
  505   2HH2  ARG 982          1HH2      ARG 982   3.650 -16.425  -9.254
  506    H    GLU 983           H        GLU 983   6.096 -13.928  -4.044
  507    HA   GLU 983           HA       GLU 983   6.338 -11.373  -5.296
  508   1HB   GLU 983          HB1       GLU 983   4.102 -12.931  -4.221
  509   2HB   GLU 983          HB2       GLU 983   3.932 -11.202  -4.080
  510   1HG   GLU 983          HG1       GLU 983   2.964 -11.744  -6.108
  511   2HG   GLU 983          HG2       GLU 983   4.534 -11.031  -6.478
  512    H    ILE 984           H        ILE 984   5.950 -12.395  -1.931
  513    HA   ILE 984           HA       ILE 984   5.357  -9.829  -0.969
  514    HB   ILE 984           HB       ILE 984   4.983 -11.897   0.343
  515   1HG1  ILE 984          1HG1      ILE 984   5.721 -10.966   2.539
  516   2HG1  ILE 984          2HG1      ILE 984   6.699  -9.782   1.678
  517   1HG2  ILE 984          1HG2      ILE 984   6.847 -12.884   1.591
  518   2HG2  ILE 984          2HG2      ILE 984   7.066 -13.044  -0.151
  519   3HG2  ILE 984          3HG2      ILE 984   7.974 -11.826   0.742
  520   1HD1  ILE 984          1HD1      ILE 984   4.583  -8.843   2.444
  521   2HD1  ILE 984          2HD1      ILE 984   4.700  -8.831   0.685
  522   3HD1  ILE 984          3HD1      ILE 984   3.706 -10.043   1.494
  523    H    GLU 985           H        GLU 985   8.390 -11.391  -1.762
  524    HA   GLU 985           HA       GLU 985   9.998  -9.262  -0.743
  525   1HB   GLU 985          HB1       GLU 985  10.581 -11.484  -2.685
  526   2HB   GLU 985          HB2       GLU 985  11.767 -10.254  -2.272
  527   1HG   GLU 985          HG1       GLU 985  11.534 -10.905   0.109
  528   2HG   GLU 985          HG2       GLU 985  10.476 -12.223  -0.397
  529    H    MET 986           H        MET 986   8.403  -9.904  -3.866
  530    HA   MET 986           HA       MET 986   9.925  -7.946  -5.240
  531   1HB   MET 986          HB1       MET 986   8.596  -8.289  -7.134
  532   2HB   MET 986          HB2       MET 986   8.718  -9.850  -6.349
  533   1HG   MET 986          HG1       MET 986   6.480  -9.618  -5.470
  534   2HG   MET 986          HG2       MET 986   6.356  -7.996  -6.148
  535   1HE   MET 986          HE1       MET 986   7.884  -8.506  -8.987
  536   2HE   MET 986          HE2       MET 986   6.471  -8.765 -10.011
  537   3HE   MET 986          HE3       MET 986   6.447  -7.506  -8.777
  538    H    ALA 987           H        ALA 987   6.630  -7.861  -3.923
  539    HA   ALA 987           HA       ALA 987   6.298  -5.130  -4.691
  540   1HB   ALA 987          HB1       ALA 987   4.126  -5.267  -3.670
  541   2HB   ALA 987          HB2       ALA 987   4.416  -6.691  -4.670
  542   3HB   ALA 987          HB3       ALA 987   4.547  -6.804  -2.914
  543    H    GLN 988           H        GLN 988   6.789  -6.807  -1.566
  544    HA   GLN 988           HA       GLN 988   6.344  -4.517  -0.011
  545   1HB   GLN 988          HB1       GLN 988   6.325  -6.687   1.038
  546   2HB   GLN 988          HB2       GLN 988   8.003  -6.967   0.605
  547   1HG   GLN 988          HG1       GLN 988   7.836  -6.445   2.944
  548   2HG   GLN 988          HG2       GLN 988   8.684  -5.151   2.102
  549   1HE2  GLN 988          2HE2      GLN 988   7.696  -3.132   1.908
  550   2HE2  GLN 988          1HE2      GLN 988   6.313  -2.692   2.852
  551    H    LYS 989           H        LYS 989   9.310  -5.758  -1.472
  552    HA   LYS 989           HA       LYS 989  11.121  -3.903  -0.409
  553   1HB   LYS 989          HB1       LYS 989  11.654  -5.934  -1.802
  554   2HB   LYS 989          HB2       LYS 989  11.124  -5.034  -3.213
  555   1HG   LYS 989          HG1       LYS 989  12.905  -3.418  -2.880
  556   2HG   LYS 989          HG2       LYS 989  13.415  -4.261  -1.416
  557   1HD   LYS 989          HD1       LYS 989  13.455  -5.346  -4.234
  558   2HD   LYS 989          HD2       LYS 989  14.852  -4.905  -3.250
  559   1HE   LYS 989          HE1       LYS 989  14.240  -6.665  -1.636
  560   2HE   LYS 989          HE2       LYS 989  12.887  -7.124  -2.670
  561   1HZ   LYS 989          HZ1       LYS 989  14.510  -7.600  -4.441
  562   2HZ   LYS 989          HZ2       LYS 989  15.772  -7.262  -3.357
  563   3HZ   LYS 989          HZ3       LYS 989  14.741  -8.577  -3.070
  564    H    LEU 990           H        LEU 990   8.961  -3.791  -3.172
  565    HA   LEU 990           HA       LEU 990   9.743  -1.196  -4.055
  566   1HB   LEU 990          HB1       LEU 990   8.758  -2.050  -5.853
  567   2HB   LEU 990          HB2       LEU 990   8.095  -3.368  -4.915
  568    HG   LEU 990           HG       LEU 990   6.208  -1.707  -4.317
  569   1HD1  LEU 990          1HD1      LEU 990   7.313   0.303  -5.210
  570   2HD1  LEU 990          2HD1      LEU 990   7.316  -0.414  -6.823
  571   3HD1  LEU 990          3HD1      LEU 990   5.789  -0.013  -6.037
  572   1HD2  LEU 990          1HD2      LEU 990   6.517  -2.821  -7.097
  573   2HD2  LEU 990          2HD2      LEU 990   5.916  -3.680  -5.679
  574   3HD2  LEU 990          3HD2      LEU 990   4.999  -2.331  -6.345
  575    H    LEU 991           H        LEU 991   7.234  -2.439  -1.907
  576    HA   LEU 991           HA       LEU 991   5.626  -0.135  -1.659
  577   1HB   LEU 991          HB1       LEU 991   6.276  -2.113   0.529
  578   2HB   LEU 991          HB2       LEU 991   4.900  -1.032   0.475
  579    HG   LEU 991           HG       LEU 991   5.286  -3.190  -1.573
  580   1HD1  LEU 991          1HD1      LEU 991   3.804  -4.582  -0.195
  581   2HD1  LEU 991          2HD1      LEU 991   5.313  -4.229   0.647
  582   3HD1  LEU 991          3HD1      LEU 991   3.839  -3.362   1.077
  583   1HD2  LEU 991          1HD2      LEU 991   2.857  -2.982  -1.761
  584   2HD2  LEU 991          2HD2      LEU 991   2.870  -1.719  -0.531
  585   3HD2  LEU 991          3HD2      LEU 991   3.660  -1.446  -2.081
  586    H    ASN 992           H        ASN 992   8.377  -1.310   0.193
  587    HA   ASN 992           HA       ASN 992   8.379   0.628   2.190
  588   1HB   ASN 992          HB1       ASN 992   9.670  -1.481   2.285
  589   2HB   ASN 992          HB2       ASN 992  10.753  -0.859   1.044
  590   1HD2  ASN 992          2HD2      ASN 992   9.749  -0.611   4.361
  591   2HD2  ASN 992          1HD2      ASN 992  11.095   0.321   4.910
  592    H    SER 993           H        SER 993   9.950   0.578  -0.973
  593    HA   SER 993           HA       SER 993  11.328   3.038  -0.541
  594   1HB   SER 993          HB1       SER 993  11.725   2.847  -3.060
  595   2HB   SER 993          HB2       SER 993  12.362   1.552  -2.047
  596    HG   SER 993           HG       SER 993   9.775   1.294  -3.124
  597    H    ASP 994           H        ASP 994   8.155   2.227  -1.879
  598    HA   ASP 994           HA       ASP 994   8.070   4.843  -3.180
  599   1HB   ASP 994          HB1       ASP 994   6.561   2.326  -3.553
  600   2HB   ASP 994          HB2       ASP 994   5.715   3.830  -3.914
  601    H    LEU 995           H        LEU 995   6.172   3.060  -0.730
  602    HA   LEU 995           HA       LEU 995   4.480   5.195  -0.042
  603   1HB   LEU 995          HB1       LEU 995   3.939   3.071   0.855
  604   2HB   LEU 995          HB2       LEU 995   5.551   2.824   1.479
  605    HG   LEU 995           HG       LEU 995   3.650   3.188   3.136
  606   1HD1  LEU 995          1HD1      LEU 995   5.058   4.402   4.693
  607   2HD1  LEU 995          2HD1      LEU 995   5.993   3.221   3.775
  608   3HD1  LEU 995          3HD1      LEU 995   6.088   4.933   3.363
  609   1HD2  LEU 995          1HD2      LEU 995   4.001   6.033   2.221
  610   2HD2  LEU 995          2HD2      LEU 995   2.536   5.056   2.123
  611   3HD2  LEU 995          3HD2      LEU 995   3.168   5.545   3.696
  612    H    ALA 996           H        ALA 996   7.744   4.374   0.913
  613    HA   ALA 996           HA       ALA 996   8.206   6.302   2.853
  614   1HB   ALA 996          HB1       ALA 996   9.816   4.535   2.313
  615   2HB   ALA 996          HB2       ALA 996  10.209   5.368   0.808
  616   3HB   ALA 996          HB3       ALA 996  10.572   6.128   2.359
  617    H    GLU 997           H        GLU 997   8.749   6.669  -0.673
  618    HA   GLU 997           HA       GLU 997   9.583   9.301  -0.588
  619   1HB   GLU 997          HB1       GLU 997   7.882   8.051  -2.736
  620   2HB   GLU 997          HB2       GLU 997   8.843   9.520  -2.891
  621   1HG   GLU 997          HG1       GLU 997   9.934   6.789  -2.291
  622   2HG   GLU 997          HG2       GLU 997   9.923   7.551  -3.883
  623    H    LEU 998           H        LEU 998   6.286   8.030  -0.512
  624    HA   LEU 998           HA       LEU 998   5.126  10.610  -0.963
  625   1HB   LEU 998          HB1       LEU 998   3.999   8.384  -1.415
  626   2HB   LEU 998          HB2       LEU 998   3.777   8.237   0.319
  627    HG   LEU 998           HG       LEU 998   2.331  10.151   0.375
  628   1HD1  LEU 998          1HD1      LEU 998   1.778  11.436  -1.619
  629   2HD1  LEU 998          2HD1      LEU 998   3.502  11.534  -1.263
  630   3HD1  LEU 998          3HD1      LEU 998   2.929  10.486  -2.561
  631   1HD2  LEU 998          1HD2      LEU 998   1.633   8.396  -1.970
  632   2HD2  LEU 998          2HD2      LEU 998   1.297   8.046  -0.275
  633   3HD2  LEU 998          3HD2      LEU 998   0.510   9.410  -1.067
  634    H    ILE 999           H        ILE 999   6.175   8.751   1.778
  635    HA   ILE 999           HA       ILE 999   5.108  10.363   3.846
  636    HB   ILE 999           HB       ILE 999   7.647   8.727   3.750
  637   1HG1  ILE 999          1HG1      ILE 999   4.943   8.259   5.024
  638   2HG1  ILE 999          2HG1      ILE 999   5.610   7.410   3.634
  639   1HG2  ILE 999          1HG2      ILE 999   7.759   8.953   6.190
  640   2HG2  ILE 999          2HG2      ILE 999   7.947  10.508   5.380
  641   3HG2  ILE 999          3HG2      ILE 999   6.413  10.092   6.144
  642   1HD1  ILE 999          1HD1      ILE 999   5.744   6.065   5.653
  643   2HD1  ILE 999          2HD1      ILE 999   7.351   6.459   5.043
  644   3HD1  ILE 999          3HD1      ILE 999   6.702   7.322   6.437
  645    H    ASN1000           H        ASN1000   7.946  10.675   1.816
  646    HA   ASN1000           HA       ASN1000   8.787  13.142   3.149
  647   1HB   ASN1000          HB1       ASN1000   9.909  11.639   0.762
  648   2HB   ASN1000          HB2       ASN1000  10.593  13.130   1.400
  649   1HD2  ASN1000          2HD2      ASN1000  10.095   9.735   1.946
  650   2HD2  ASN1000          1HD2      ASN1000  11.238   9.572   3.233
  651    H    LYS1001           H        LYS1001   6.538  12.278   0.877
  652    HA   LYS1001           HA       LYS1001   6.774  14.753  -0.625
  653   1HB   LYS1001          HB1       LYS1001   5.261  12.281  -0.983
  654   2HB   LYS1001          HB2       LYS1001   4.313  13.727  -1.308
  655   1HG   LYS1001          HG1       LYS1001   5.320  12.983  -3.348
  656   2HG   LYS1001          HG2       LYS1001   6.083  14.496  -2.855
  657   1HD   LYS1001          HD1       LYS1001   7.972  13.242  -1.936
  658   2HD   LYS1001          HD2       LYS1001   7.204  11.728  -2.416
  659   1HE   LYS1001          HE1       LYS1001   8.759  12.161  -4.107
  660   2HE   LYS1001          HE2       LYS1001   7.213  12.670  -4.782
  661   1HZ   LYS1001          HZ1       LYS1001   8.702  14.371  -5.303
  662   2HZ   LYS1001          HZ2       LYS1001   7.848  14.973  -3.967
  663   3HZ   LYS1001          HZ3       LYS1001   9.416  14.361  -3.765
  664    H    MET1002           H        MET1002   4.778  13.363   1.924
  665    HA   MET1002           HA       MET1002   3.150  15.692   2.228
  666   1HB   MET1002          HB1       MET1002   2.433  14.719   4.320
  667   2HB   MET1002          HB2       MET1002   2.496  13.441   3.116
  668   1HG   MET1002          HG1       MET1002   4.666  12.725   4.020
  669   2HG   MET1002          HG2       MET1002   4.546  13.977   5.252
  670   1HE   MET1002          HE1       MET1002   4.861  12.319   7.245
  671   2HE   MET1002          HE2       MET1002   3.976  10.803   7.421
  672   3HE   MET1002          HE3       MET1002   5.114  11.012   6.090
  673    H    LYS1003           H        LYS1003   6.112  14.406   3.490
  674    HA   LYS1003           HA       LYS1003   6.755  16.380   5.357
  675   1HB   LYS1003          HB1       LYS1003   7.883  14.181   5.088
  676   2HB   LYS1003          HB2       LYS1003   8.579  14.743   3.579
  677   1HG   LYS1003          HG1       LYS1003   9.792  16.483   4.822
  678   2HG   LYS1003          HG2       LYS1003   9.137  15.825   6.327
  679   1HD   LYS1003          HD1       LYS1003  10.155  13.640   5.764
  680   2HD   LYS1003          HD2       LYS1003  10.884  14.379   4.338
  681   1HE   LYS1003          HE1       LYS1003  12.071  15.963   5.818
  682   2HE   LYS1003          HE2       LYS1003  11.402  15.114   7.214
  683   1HZ   LYS1003          HZ1       LYS1003  13.580  14.281   6.819
  684   2HZ   LYS1003          HZ2       LYS1003  12.494  13.071   6.338
  685   3HZ   LYS1003          HZ3       LYS1003  13.263  14.031   5.171
  686    H    LEU1004           H        LEU1004   7.918  15.991   2.002
  687    HA   LEU1004           HA       LEU1004   9.011  18.528   1.781
  688   1HB   LEU1004          HB1       LEU1004   8.451  16.303  -0.006
  689   2HB   LEU1004          HB2       LEU1004   8.383  17.862  -0.809
  690    HG   LEU1004           HG       LEU1004  10.658  18.373  -0.079
  691   1HD1  LEU1004          1HD1      LEU1004  10.611  15.640   1.190
  692   2HD1  LEU1004          2HD1      LEU1004  12.030  16.673   1.027
  693   3HD1  LEU1004          3HD1      LEU1004  10.679  17.184   2.040
  694   1HD2  LEU1004          1HD2      LEU1004  10.391  17.247  -2.197
  695   2HD2  LEU1004          2HD2      LEU1004  11.846  16.662  -1.389
  696   3HD2  LEU1004          3HD2      LEU1004  10.382  15.678  -1.393
  697    H    ALA1005           H        ALA1005   5.688  17.518   1.005
  698    HA   ALA1005           HA       ALA1005   4.956  19.915  -0.298
  699   1HB   ALA1005          HB1       ALA1005   3.552  17.900  -0.349
  700   2HB   ALA1005          HB2       ALA1005   3.207  18.105   1.368
  701   3HB   ALA1005          HB3       ALA1005   2.649  19.309   0.207
  702    H    GLN1006           H        GLN1006   4.712  18.890   3.066
  703    HA   GLN1006           HA       GLN1006   3.847  21.459   3.988
  704   1HB   GLN1006          HB1       GLN1006   3.549  20.413   6.009
  705   2HB   GLN1006          HB2       GLN1006   3.558  19.000   4.960
  706   1HG   GLN1006          HG1       GLN1006   5.105  18.167   6.296
  707   2HG   GLN1006          HG2       GLN1006   6.219  19.344   5.599
  708   1HE2  GLN1006          2HE2      GLN1006   6.163  18.189   8.283
  709   2HE2  GLN1006          1HE2      GLN1006   6.050  19.529   9.369
  710    H    GLN1007           H        GLN1007   6.728  20.211   2.934
  711    HA   GLN1007           HA       GLN1007   8.503  21.796   4.582
  712   1HB   GLN1007          HB1       GLN1007   8.752  19.390   3.325
  713   2HB   GLN1007          HB2       GLN1007   9.481  20.466   2.145
  714   1HG   GLN1007          HG1       GLN1007  11.116  19.450   3.628
  715   2HG   GLN1007          HG2       GLN1007  11.099  21.211   3.781
  716   1HE2  GLN1007          2HE2      GLN1007   8.578  19.238   5.165
  717   2HE2  GLN1007          1HE2      GLN1007   9.059  19.439   6.823
  718    H    TYR1008           H        TYR1008   6.773  22.027   1.659
  719    HA   TYR1008           HA       TYR1008   8.438  24.267   0.692
  720   1HB   TYR1008          HB1       TYR1008   8.407  22.248  -0.757
  721   2HB   TYR1008          HB2       TYR1008   6.661  22.371  -0.863
  722    HD1  TYR1008           HD1      TYR1008   5.704  23.483  -2.651
  723    HD2  TYR1008           HD2      TYR1008   9.756  24.309  -1.627
  724    HE1  TYR1008           HE1      TYR1008   5.942  24.835  -4.692
  725    HE2  TYR1008           HE2      TYR1008   9.996  25.671  -3.658
  726    HH   TYR1008           HH       TYR1008   8.940  25.829  -5.888
  727    H    VAL1009           H        VAL1009   5.756  23.662   2.345
  728    HA   VAL1009           HA       VAL1009   3.596  24.818   1.131
  729    HB   VAL1009           HB       VAL1009   3.365  23.699   3.247
  730   1HG1  VAL1009          1HG1      VAL1009   4.089  24.725   5.362
  731   2HG1  VAL1009          2HG1      VAL1009   5.443  24.298   4.315
  732   3HG1  VAL1009          3HG1      VAL1009   4.927  25.979   4.447
  733   1HG2  VAL1009          1HG2      VAL1009   1.658  25.341   2.683
  734   2HG2  VAL1009          2HG2      VAL1009   1.906  25.276   4.427
  735   3HG2  VAL1009          3HG2      VAL1009   2.587  26.605   3.488
  736    H    MET1010           H        MET1010   3.770  26.621  -0.052
  737    HA   MET1010           HA       MET1010   4.137  29.097   1.430
  738   1HB   MET1010          HB1       MET1010   6.372  28.592   0.532
  739   2HB   MET1010          HB2       MET1010   5.696  28.503  -1.089
  740   1HG   MET1010          HG1       MET1010   5.147  30.832  -1.056
  741   2HG   MET1010          HG2       MET1010   5.614  30.962   0.639
  742   1HE   MET1010          HE1       MET1010   7.475  28.908  -2.154
  743   2HE   MET1010          HE2       MET1010   6.881  30.323  -3.023
  744   3HE   MET1010          HE3       MET1010   8.612  30.111  -2.767
  745    H    THR1011           H        THR1011   2.305  30.049   1.132
  746    HA   THR1011           HA       THR1011   0.471  30.977   0.212
  747    HB   THR1011           HB       THR1011   0.878  32.354  -1.822
  748    HG1  THR1011           HG1      THR1011   2.928  32.342  -2.762
  749   1HG2  THR1011          1HG2      THR1011   2.556  33.813  -0.781
  750   2HG2  THR1011          2HG2      THR1011   1.385  33.225   0.398
  751   3HG2  THR1011          3HG2      THR1011   2.995  32.510   0.326
  752    H    SER1012           H        SER1012   1.368  30.600  -3.057
  753    HA   SER1012           HA       SER1012  -0.686  28.514  -3.387
  754   1HB   SER1012          HB1       SER1012  -1.352  30.918  -4.015
  755   2HB   SER1012          HB2       SER1012  -0.222  30.755  -5.359
  756    HG   SER1012           HG       SER1012  -2.587  29.289  -4.839
  757    H    LEU1013           H        LEU1013   2.486  29.185  -3.623
  758    HA   LEU1013           HA       LEU1013   2.994  28.076  -6.253
  759   1HB   LEU1013          HB1       LEU1013   4.372  29.913  -5.194
  760   2HB   LEU1013          HB2       LEU1013   4.997  28.710  -4.084
  761    HG   LEU1013           HG       LEU1013   5.974  27.466  -5.961
  762   1HD1  LEU1013          1HD1      LEU1013   5.992  28.429  -8.202
  763   2HD1  LEU1013          2HD1      LEU1013   4.349  28.072  -7.675
  764   3HD1  LEU1013          3HD1      LEU1013   4.939  29.734  -7.657
  765   1HD2  LEU1013          1HD2      LEU1013   7.709  29.089  -6.564
  766   2HD2  LEU1013          2HD2      LEU1013   6.707  30.392  -5.924
  767   3HD2  LEU1013          3HD2      LEU1013   7.329  29.145  -4.842
  768    H    GLN1014           H        GLN1014   2.327  26.893  -3.213
  769    HA   GLN1014           HA       GLN1014   4.030  24.683  -2.948
  770   1HB   GLN1014          HB1       GLN1014   2.192  25.731  -1.343
  771   2HB   GLN1014          HB2       GLN1014   1.182  24.482  -2.055
  772   1HG   GLN1014          HG1       GLN1014   3.836  23.926  -0.759
  773   2HG   GLN1014          HG2       GLN1014   2.304  23.890   0.107
  774   1HE2  GLN1014          2HE2      GLN1014   0.707  22.670  -1.851
  775   2HE2  GLN1014          1HE2      GLN1014   1.265  21.058  -2.084
  776    H    GLN1015           H        GLN1015   1.458  25.280  -5.124
  777    HA   GLN1015           HA       GLN1015   0.404  22.734  -5.507
  778   1HB   GLN1015          HB1       GLN1015  -0.276  23.519  -7.751
  779   2HB   GLN1015          HB2       GLN1015  -0.697  24.634  -6.461
  780   1HG   GLN1015          HG1       GLN1015   1.224  26.029  -7.047
  781   2HG   GLN1015          HG2       GLN1015   1.630  24.912  -8.350
  782   1HE2  GLN1015          2HE2      GLN1015   0.897  27.757  -8.429
  783   2HE2  GLN1015          1HE2      GLN1015  -0.473  27.859  -9.477
  784    H    GLU1016           H        GLU1016   3.262  24.199  -7.014
  785    HA   GLU1016           HA       GLU1016   4.118  22.216  -8.641
  786   1HB   GLU1016          HB1       GLU1016   5.402  24.260  -8.215
  787   2HB   GLU1016          HB2       GLU1016   5.867  23.640  -6.635
  788   1HG   GLU1016          HG1       GLU1016   7.087  21.838  -7.645
  789   2HG   GLU1016          HG2       GLU1016   6.527  22.307  -9.247
  790    H    TYR1017           H        TYR1017   4.586  22.180  -5.090
  791    HA   TYR1017           HA       TYR1017   5.674  19.510  -5.216
  792   1HB   TYR1017          HB1       TYR1017   5.289  21.529  -3.068
  793   2HB   TYR1017          HB2       TYR1017   5.275  19.833  -2.574
  794    HD1  TYR1017           HD1      TYR1017   7.268  21.082  -5.413
  795    HD2  TYR1017           HD2      TYR1017   7.347  19.923  -1.303
  796    HE1  TYR1017           HE1      TYR1017   9.723  21.022  -5.481
  797    HE2  TYR1017           HE2      TYR1017   9.803  19.855  -1.378
  798    HH   TYR1017           HH       TYR1017  11.599  19.602  -3.031
  799    H    LYS1018           H        LYS1018   2.583  20.896  -5.012
  800    HA   LYS1018           HA       LYS1018   1.166  18.691  -3.912
  801   1HB   LYS1018          HB1       LYS1018   0.095  20.847  -4.099
  802   2HB   LYS1018          HB2       LYS1018   0.355  20.881  -5.833
  803   1HG   LYS1018          HG1       LYS1018  -1.188  18.922  -6.022
  804   2HG   LYS1018          HG2       LYS1018  -1.545  19.118  -4.303
  805   1HD   LYS1018          HD1       LYS1018  -2.337  21.384  -4.707
  806   2HD   LYS1018          HD2       LYS1018  -1.922  21.245  -6.415
  807   1HE   LYS1018          HE1       LYS1018  -4.292  20.933  -6.152
  808   2HE   LYS1018          HE2       LYS1018  -3.561  19.400  -6.619
  809   1HZ   LYS1018          HZ1       LYS1018  -5.288  19.491  -4.712
  810   2HZ   LYS1018          HZ2       LYS1018  -3.925  18.495  -4.556
  811   3HZ   LYS1018          HZ3       LYS1018  -3.976  20.002  -3.769
  812    H    LYS1019           H        LYS1019   2.291  19.545  -7.137
  813    HA   LYS1019           HA       LYS1019   1.082  17.364  -8.502
  814   1HB   LYS1019          HB1       LYS1019   3.631  18.812  -9.258
  815   2HB   LYS1019          HB2       LYS1019   2.578  17.900 -10.331
  816   1HG   LYS1019          HG1       LYS1019   1.876  20.469  -8.927
  817   2HG   LYS1019          HG2       LYS1019   2.289  20.288 -10.633
  818   1HD   LYS1019          HD1       LYS1019   0.325  18.943 -11.011
  819   2HD   LYS1019          HD2       LYS1019  -0.049  18.946  -9.286
  820   1HE   LYS1019          HE1       LYS1019  -1.444  20.538 -10.509
  821   2HE   LYS1019          HE2       LYS1019  -0.398  21.351  -9.348
  822   1HZ   LYS1019          HZ1       LYS1019  -0.489  22.493 -11.499
  823   2HZ   LYS1019          HZ2       LYS1019   1.084  21.969 -11.133
  824   3HZ   LYS1019          HZ3       LYS1019   0.150  21.116 -12.261
  825    H    GLN1020           H        GLN1020   4.458  17.918  -7.571
  826    HA   GLN1020           HA       GLN1020   5.523  15.424  -7.791
  827   1HB   GLN1020          HB1       GLN1020   6.036  17.106  -5.336
  828   2HB   GLN1020          HB2       GLN1020   7.136  15.982  -6.122
  829   1HG   GLN1020          HG1       GLN1020   6.224  18.662  -7.133
  830   2HG   GLN1020          HG2       GLN1020   7.841  18.200  -6.613
  831   1HE2  GLN1020          2HE2      GLN1020   6.918  19.324  -9.127
  832   2HE2  GLN1020          1HE2      GLN1020   7.416  18.224 -10.364
  833    H    MET1021           H        MET1021   3.464  16.579  -5.159
  834    HA   MET1021           HA       MET1021   3.531  14.345  -3.489
  835   1HB   MET1021          HB1       MET1021   2.493  16.432  -2.802
  836   2HB   MET1021          HB2       MET1021   1.271  16.277  -4.055
  837   1HG   MET1021          HG1       MET1021   0.581  14.126  -2.895
  838   2HG   MET1021          HG2       MET1021   1.594  14.659  -1.554
  839   1HE   MET1021          HE1       MET1021   1.151  16.886  -0.160
  840   2HE   MET1021          HE2       MET1021   1.189  17.813  -1.660
  841   3HE   MET1021          HE3       MET1021  -0.147  18.022  -0.529
  842    H    LEU1022           H        LEU1022   1.110  15.140  -5.978
  843    HA   LEU1022           HA       LEU1022  -0.289  12.717  -5.847
  844   1HB   LEU1022          HB1       LEU1022  -1.138  14.778  -6.905
  845   2HB   LEU1022          HB2       LEU1022   0.017  14.577  -8.207
  846    HG   LEU1022           HG       LEU1022  -1.097  12.476  -8.863
  847   1HD1  LEU1022          1HD1      LEU1022  -3.109  13.196  -6.733
  848   2HD1  LEU1022          2HD1      LEU1022  -3.244  11.870  -7.888
  849   3HD1  LEU1022          3HD1      LEU1022  -1.976  11.845  -6.663
  850   1HD2  LEU1022          1HD2      LEU1022  -2.952  14.844  -8.648
  851   2HD2  LEU1022          2HD2      LEU1022  -1.746  14.586  -9.909
  852   3HD2  LEU1022          3HD2      LEU1022  -3.125  13.494  -9.768
  853    H    THR1023           H        THR1023   2.531  13.673  -7.697
  854    HA   THR1023           HA       THR1023   2.712  11.479  -9.433
  855    HB   THR1023           HB       THR1023   4.975  13.090  -8.227
  856    HG1  THR1023           HG1      THR1023   3.267  14.264  -9.399
  857   1HG2  THR1023          1HG2      THR1023   4.861  11.441 -10.757
  858   2HG2  THR1023          2HG2      THR1023   6.214  12.450 -10.246
  859   3HG2  THR1023          3HG2      THR1023   5.761  11.034  -9.297
  860    H    ALA1024           H        ALA1024   3.846  11.926  -6.119
  861    HA   ALA1024           HA       ALA1024   5.144   9.352  -6.034
  862   1HB   ALA1024          HB1       ALA1024   5.974  11.219  -4.689
  863   2HB   ALA1024          HB2       ALA1024   4.462  11.230  -3.780
  864   3HB   ALA1024          HB3       ALA1024   5.537   9.833  -3.690
  865    H    ALA1025           H        ALA1025   2.049  10.721  -5.132
  866    HA   ALA1025           HA       ALA1025   1.073   8.524  -3.653
  867   1HB   ALA1025          HB1       ALA1025  -0.003  10.734  -3.642
  868   2HB   ALA1025          HB2       ALA1025  -0.492  10.500  -5.321
  869   3HB   ALA1025          HB3       ALA1025  -1.141   9.454  -4.058
  870    H    HIS1026           H        HIS1026   0.931   9.342  -7.096
  871    HA   HIS1026           HA       HIS1026  -0.451   7.036  -7.938
  872   1HB   HIS1026          HB1       HIS1026  -0.215   8.905  -9.450
  873   2HB   HIS1026          HB2       HIS1026   1.541   8.807  -9.378
  874    HD1  HIS1026           HD1      HIS1026   2.354   8.015 -11.571
  875    HD2  HIS1026           HD2      HIS1026  -1.099   6.012 -10.397
  876    HE1  HIS1026           HE1      HIS1026   1.905   6.321 -13.372
  877    HE2  HIS1026           HE2      HIS1026  -0.135   5.055 -12.599
  878    H    ALA1027           H        ALA1027   2.960   7.707  -7.394
  879    HA   ALA1027           HA       ALA1027   3.970   5.284  -8.437
  880   1HB   ALA1027          HB1       ALA1027   5.339   7.289  -8.075
  881   2HB   ALA1027          HB2       ALA1027   5.173   7.079  -6.331
  882   3HB   ALA1027          HB3       ALA1027   6.027   5.868  -7.287
  883    H    LEU1028           H        LEU1028   3.122   6.272  -5.118
  884    HA   LEU1028           HA       LEU1028   3.765   3.722  -4.024
  885   1HB   LEU1028          HB1       LEU1028   3.815   5.030  -2.228
  886   2HB   LEU1028          HB2       LEU1028   2.871   6.281  -2.983
  887    HG   LEU1028           HG       LEU1028   1.579   3.832  -1.771
  888   1HD1  LEU1028          1HD1      LEU1028   2.241   6.426  -0.396
  889   2HD1  LEU1028          2HD1      LEU1028   1.256   5.124   0.270
  890   3HD1  LEU1028          3HD1      LEU1028   2.968   4.856  -0.059
  891   1HD2  LEU1028          1HD2      LEU1028  -0.358   5.299  -1.568
  892   2HD2  LEU1028          2HD2      LEU1028   0.566   6.642  -2.239
  893   3HD2  LEU1028          3HD2      LEU1028   0.190   5.243  -3.245
  894    H    ALA1029           H        ALA1029   0.860   5.152  -5.367
  895    HA   ALA1029           HA       ALA1029  -0.947   3.134  -4.725
  896   1HB   ALA1029          HB1       ALA1029  -0.780   4.618  -7.353
  897   2HB   ALA1029          HB2       ALA1029  -2.187   3.755  -6.730
  898   3HB   ALA1029          HB3       ALA1029  -1.597   5.196  -5.902
  899    H    VAL1030           H        VAL1030   1.382   3.321  -7.405
  900    HA   VAL1030           HA       VAL1030   0.960   0.829  -8.515
  901    HB   VAL1030           HB       VAL1030   3.600   2.288  -8.287
  902   1HG1  VAL1030          1HG1      VAL1030   4.194   1.088 -10.340
  903   2HG1  VAL1030          2HG1      VAL1030   3.887  -0.020  -9.002
  904   3HG1  VAL1030          3HG1      VAL1030   2.671   0.204 -10.259
  905   1HG2  VAL1030          1HG2      VAL1030   1.453   2.452 -10.401
  906   2HG2  VAL1030          2HG2      VAL1030   1.886   3.715  -9.248
  907   3HG2  VAL1030          3HG2      VAL1030   3.040   3.218 -10.486
  908    H    ASP1031           H        ASP1031   2.679   1.598  -5.521
  909    HA   ASP1031           HA       ASP1031   3.848  -1.043  -5.443
  910   1HB   ASP1031          HB1       ASP1031   4.806  -0.538  -3.326
  911   2HB   ASP1031          HB2       ASP1031   4.985   0.886  -4.324
  912    H    ALA1032           H        ALA1032   1.085   0.577  -3.972
  913    HA   ALA1032           HA       ALA1032   0.136  -1.512  -2.362
  914   1HB   ALA1032          HB1       ALA1032  -1.428   0.556  -3.902
  915   2HB   ALA1032          HB2       ALA1032  -2.040  -0.417  -2.564
  916   3HB   ALA1032          HB3       ALA1032  -0.753   0.757  -2.286
  917    H    LYS1033           H        LYS1033  -0.600  -0.730  -5.772
  918    HA   LYS1033           HA       LYS1033  -2.529  -2.777  -6.011
  919   1HB   LYS1033          HB1       LYS1033  -2.647  -2.242  -8.335
  920   2HB   LYS1033          HB2       LYS1033  -2.480  -0.751  -7.427
  921   1HG   LYS1033          HG1       LYS1033  -0.059  -0.747  -8.001
  922   2HG   LYS1033          HG2       LYS1033  -0.357  -2.150  -9.032
  923   1HD   LYS1033          HD1       LYS1033  -2.094  -0.779 -10.222
  924   2HD   LYS1033          HD2       LYS1033  -1.521   0.615  -9.308
  925   1HE   LYS1033          HE1       LYS1033  -0.481   0.623 -11.471
  926   2HE   LYS1033          HE2       LYS1033   0.740   0.246 -10.254
  927   1HZ   LYS1033          HZ1       LYS1033  -0.675  -1.914 -11.687
  928   2HZ   LYS1033          HZ2       LYS1033   0.657  -1.136 -12.397
  929   3HZ   LYS1033          HZ3       LYS1033   0.842  -1.956 -10.923
  930    H    ASN1034           H        ASN1034   0.947  -2.791  -6.610
  931    HA   ASN1034           HA       ASN1034   0.883  -5.275  -8.045
  932   1HB   ASN1034          HB1       ASN1034   2.771  -3.622  -8.210
  933   2HB   ASN1034          HB2       ASN1034   3.250  -4.092  -6.580
  934   1HD2  ASN1034          2HD2      ASN1034   5.220  -4.907  -7.232
  935   2HD2  ASN1034          1HD2      ASN1034   5.379  -6.364  -8.138
  936    H    LEU1035           H        LEU1035   1.172  -4.316  -4.701
  937    HA   LEU1035           HA       LEU1035   1.993  -6.948  -3.771
  938   1HB   LEU1035          HB1       LEU1035   2.715  -5.057  -2.462
  939   2HB   LEU1035          HB2       LEU1035   1.071  -4.434  -2.345
  940    HG   LEU1035           HG       LEU1035   0.592  -6.682  -1.111
  941   1HD1  LEU1035          1HD1      LEU1035   3.569  -6.425  -0.728
  942   2HD1  LEU1035          2HD1      LEU1035   2.503  -7.506   0.168
  943   3HD1  LEU1035          3HD1      LEU1035   2.734  -7.734  -1.565
  944   1HD2  LEU1035          1HD2      LEU1035   1.154  -5.622   1.005
  945   2HD2  LEU1035          2HD2      LEU1035   2.176  -4.462   0.157
  946   3HD2  LEU1035          3HD2      LEU1035   0.435  -4.472  -0.121
  947    H    LEU1036           H        LEU1036  -1.041  -5.171  -4.155
  948    HA   LEU1036           HA       LEU1036  -2.580  -6.943  -2.577
  949   1HB   LEU1036          HB1       LEU1036  -4.559  -5.979  -3.565
  950   2HB   LEU1036          HB2       LEU1036  -3.434  -4.727  -3.101
  951    HG   LEU1036           HG       LEU1036  -2.763  -4.710  -5.609
  952   1HD1  LEU1036          1HD1      LEU1036  -5.500  -5.965  -5.804
  953   2HD1  LEU1036          2HD1      LEU1036  -4.531  -5.351  -7.144
  954   3HD1  LEU1036          3HD1      LEU1036  -3.982  -6.757  -6.230
  955   1HD2  LEU1036          1HD2      LEU1036  -5.446  -3.705  -4.673
  956   2HD2  LEU1036          2HD2      LEU1036  -3.896  -2.891  -4.458
  957   3HD2  LEU1036          3HD2      LEU1036  -4.556  -3.114  -6.079
  958    H    ASP1037           H        ASP1037  -1.408  -7.023  -5.802
  959    HA   ASP1037           HA       ASP1037  -2.800  -9.451  -6.503
  960   1HB   ASP1037          HB1       ASP1037  -2.007  -7.896  -8.242
  961   2HB   ASP1037          HB2       ASP1037  -0.346  -8.146  -7.717
  962    H    VAL1038           H        VAL1038   0.358  -8.523  -5.300
  963    HA   VAL1038           HA       VAL1038   1.715 -10.914  -5.163
  964    HB   VAL1038           HB       VAL1038   1.730  -8.441  -3.480
  965   1HG1  VAL1038          1HG1      VAL1038   2.270 -10.188  -1.895
  966   2HG1  VAL1038          2HG1      VAL1038   3.484 -10.839  -2.994
  967   3HG1  VAL1038          3HG1      VAL1038   3.708  -9.243  -2.278
  968   1HG2  VAL1038          1HG2      VAL1038   3.972  -8.205  -4.454
  969   2HG2  VAL1038          2HG2      VAL1038   3.734  -9.717  -5.328
  970   3HG2  VAL1038          3HG2      VAL1038   2.712  -8.325  -5.682
  971    H    ILE1039           H        ILE1039   0.021  -9.488  -2.408
  972    HA   ILE1039           HA       ILE1039   0.135 -11.919  -0.921
  973    HB   ILE1039           HB       ILE1039  -1.421 -10.608   0.686
  974   1HG1  ILE1039          1HG1      ILE1039  -1.187  -8.161   0.502
  975   2HG1  ILE1039          2HG1      ILE1039  -0.397  -8.356  -1.055
  976   1HG2  ILE1039          1HG2      ILE1039   1.398  -9.726   0.099
  977   2HG2  ILE1039          2HG2      ILE1039   0.532  -9.454   1.611
  978   3HG2  ILE1039          3HG2      ILE1039   0.915 -11.098   1.097
  979   1HD1  ILE1039          1HD1      ILE1039  -3.237  -9.082  -0.403
  980   2HD1  ILE1039          2HD1      ILE1039  -2.698  -7.676  -1.321
  981   3HD1  ILE1039          3HD1      ILE1039  -2.455  -9.299  -1.969
  982    H    ASP1040           H        ASP1040  -2.417 -10.342  -2.803
  983    HA   ASP1040           HA       ASP1040  -4.531 -12.050  -2.377
  984   1HB   ASP1040          HB1       ASP1040  -4.478 -10.267  -4.130
  985   2HB   ASP1040          HB2       ASP1040  -3.426 -11.286  -5.100
  986    H    GLN1041           H        GLN1041  -1.649 -12.517  -4.273
  987    HA   GLN1041           HA       GLN1041  -2.161 -15.290  -4.772
  988   1HB   GLN1041          HB1       GLN1041   0.287 -13.600  -5.196
  989   2HB   GLN1041          HB2       GLN1041   0.250 -15.330  -5.512
  990   1HG   GLN1041          HG1       GLN1041  -1.550 -14.985  -7.139
  991   2HG   GLN1041          HG2       GLN1041  -1.480 -13.248  -6.838
  992   1HE2  GLN1041          2HE2      GLN1041   0.236 -12.064  -7.628
  993   2HE2  GLN1041          1HE2      GLN1041   1.347 -12.695  -8.793
  994    H    ALA1042           H        ALA1042  -0.354 -13.458  -2.301
  995    HA   ALA1042           HA       ALA1042   1.141 -15.429  -1.176
  996   1HB   ALA1042          HB1       ALA1042   0.905 -14.280   0.948
  997   2HB   ALA1042          HB2       ALA1042   1.091 -13.124  -0.371
  998   3HB   ALA1042          HB3       ALA1042  -0.499 -13.409   0.333
  999    H    ARG1043           H        ARG1043  -2.179 -14.669  -0.146
 1000    HA   ARG1043           HA       ARG1043  -2.584 -16.980   1.357
 1001   1HB   ARG1043          HB1       ARG1043  -4.206 -14.850   0.339
 1002   2HB   ARG1043          HB2       ARG1043  -5.056 -16.377   0.141
 1003   1HG   ARG1043          HG1       ARG1043  -5.594 -15.292   2.266
 1004   2HG   ARG1043          HG2       ARG1043  -4.821 -16.859   2.499
 1005   1HD   ARG1043          HD1       ARG1043  -2.850 -15.919   3.270
 1006   2HD   ARG1043          HD2       ARG1043  -3.166 -14.370   2.485
 1007    HE   ARG1043           HE       ARG1043  -5.077 -14.276   4.234
 1008   1HH1  ARG1043          2HH1      ARG1043  -1.924 -15.683   4.833
 1009   2HH1  ARG1043          1HH1      ARG1043  -1.916 -15.244   6.514
 1010   1HH2  ARG1043          2HH2      ARG1043  -5.075 -13.690   6.407
 1011   2HH2  ARG1043          1HH2      ARG1043  -3.699 -14.065   7.411
 1012    H    LEU1044           H        LEU1044  -2.797 -16.507  -2.119
 1013    HA   LEU1044           HA       LEU1044  -3.832 -19.133  -2.658
 1014   1HB   LEU1044          HB1       LEU1044  -4.110 -17.220  -4.199
 1015   2HB   LEU1044          HB2       LEU1044  -2.384 -17.214  -4.483
 1016    HG   LEU1044           HG       LEU1044  -2.588 -19.516  -5.433
 1017   1HD1  LEU1044          1HD1      LEU1044  -4.641 -20.186  -4.313
 1018   2HD1  LEU1044          2HD1      LEU1044  -5.540 -18.963  -5.212
 1019   3HD1  LEU1044          3HD1      LEU1044  -4.804 -20.320  -6.065
 1020   1HD2  LEU1044          1HD2      LEU1044  -4.263 -17.387  -6.760
 1021   2HD2  LEU1044          2HD2      LEU1044  -2.510 -17.539  -6.868
 1022   3HD2  LEU1044          3HD2      LEU1044  -3.546 -18.789  -7.555
 1023    H    LYS1045           H        LYS1045  -0.706 -17.811  -2.019
 1024    HA   LYS1045           HA       LYS1045   0.922 -19.837  -3.148
 1025   1HB   LYS1045          HB1       LYS1045   1.443 -18.139  -0.691
 1026   2HB   LYS1045          HB2       LYS1045   2.648 -19.054  -1.569
 1027   1HG   LYS1045          HG1       LYS1045   1.109 -16.710  -2.628
 1028   2HG   LYS1045          HG2       LYS1045   2.765 -16.678  -2.028
 1029   1HD   LYS1045          HD1       LYS1045   3.455 -18.181  -3.820
 1030   2HD   LYS1045          HD2       LYS1045   1.788 -18.264  -4.404
 1031   1HE   LYS1045          HE1       LYS1045   1.804 -15.885  -4.873
 1032   2HE   LYS1045          HE2       LYS1045   3.430 -15.740  -4.213
 1033   1HZ   LYS1045          HZ1       LYS1045   4.260 -17.128  -5.979
 1034   2HZ   LYS1045          HZ2       LYS1045   2.695 -17.353  -6.598
 1035   3HZ   LYS1045          HZ3       LYS1045   3.412 -15.811  -6.635
 1036    H    MET1046           H        MET1046  -0.843 -19.432  -0.198
 1037    HA   MET1046           HA       MET1046   0.177 -21.738   1.131
 1038   1HB   MET1046          HB1       MET1046  -1.002 -19.830   2.249
 1039   2HB   MET1046          HB2       MET1046  -2.497 -20.393   1.523
 1040   1HG   MET1046          HG1       MET1046  -0.842 -22.181   3.253
 1041   2HG   MET1046          HG2       MET1046  -1.980 -21.031   3.955
 1042   1HE   MET1046          HE1       MET1046  -4.333 -21.057   1.808
 1043   2HE   MET1046          HE2       MET1046  -5.393 -22.281   2.503
 1044   3HE   MET1046          HE3       MET1046  -4.596 -21.108   3.550
 1045    H    ILE1047           H        ILE1047  -2.541 -21.084  -1.003
 1046    HA   ILE1047           HA       ILE1047  -3.613 -23.699  -1.095
 1047    HB   ILE1047           HB       ILE1047  -3.615 -21.564  -3.231
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.626 -20.821  -1.142
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.861 -21.042  -2.378
 1050   1HG2  ILE1047          1HG2      ILE1047  -4.099 -23.758  -4.169
 1051   2HG2  ILE1047          2HG2      ILE1047  -5.345 -24.017  -2.947
 1052   3HG2  ILE1047          3HG2      ILE1047  -5.548 -22.750  -4.157
 1053   1HD1  ILE1047          1HD1      ILE1047  -6.448 -23.203  -1.378
 1054   2HD1  ILE1047          2HD1      ILE1047  -5.233 -22.942  -0.127
 1055   3HD1  ILE1047          3HD1      ILE1047  -6.630 -21.870  -0.237
 1056    H    SER1048           H        SER1048  -1.069 -22.057  -2.866
 1057    HA   SER1048           HA       SER1048  -0.491 -23.982  -4.790
 1058   1HB   SER1048          HB1       SER1048   1.339 -22.032  -3.365
 1059   2HB   SER1048          HB2       SER1048   1.775 -22.925  -4.826
 1060    HG   SER1048           HG       SER1048  -0.555 -21.333  -4.728
 1061    H    GLN1049           H        GLN1049   0.691 -23.656  -1.465
 1062    HA   GLN1049           HA       GLN1049   2.364 -25.975  -1.599
 1063   1HB   GLN1049          HB1       GLN1049   2.800 -24.118  -0.032
 1064   2HB   GLN1049          HB2       GLN1049   1.296 -24.480   0.805
 1065   1HG   GLN1049          HG1       GLN1049   2.220 -26.754   1.294
 1066   2HG   GLN1049          HG2       GLN1049   3.761 -26.193   0.645
 1067   1HE2  GLN1049          2HE2      GLN1049   4.953 -24.667   1.797
 1068   2HE2  GLN1049          1HE2      GLN1049   4.631 -24.313   3.464
 1069    H    SER1050           H        SER1050  -0.869 -25.285  -0.326
 1070    HA   SER1050           HA       SER1050  -1.164 -28.085   0.503
 1071   1HB   SER1050          HB1       SER1050  -3.006 -25.750   1.063
 1072   2HB   SER1050          HB2       SER1050  -2.997 -27.320   1.865
 1073    HG   SER1050           HG       SER1050  -1.253 -25.149   2.143
 1074    H    ARG1051           H        ARG1051  -1.297 -27.259  -2.312
 1075    HA   ARG1051           HA       ARG1051  -3.843 -26.996  -3.326
 1076   1HB   ARG1051          HB1       ARG1051  -2.964 -27.941  -5.417
 1077   2HB   ARG1051          HB2       ARG1051  -1.853 -26.779  -4.709
 1078   1HG   ARG1051          HG1       ARG1051  -0.505 -28.625  -3.823
 1079   2HG   ARG1051          HG2       ARG1051  -1.610 -29.778  -4.574
 1080   1HD   ARG1051          HD1       ARG1051   0.178 -29.599  -6.079
 1081   2HD   ARG1051          HD2       ARG1051  -1.094 -28.592  -6.768
 1082    HE   ARG1051           HE       ARG1051   0.930 -27.293  -5.103
 1083   1HH1  ARG1051          2HH1      ARG1051  -0.474 -27.793  -8.280
 1084   2HH1  ARG1051          1HH1      ARG1051   0.534 -26.593  -9.039
 1085   1HH2  ARG1051          2HH2      ARG1051   2.272 -25.742  -6.126
 1086   2HH2  ARG1051          1HH2      ARG1051   2.069 -25.439  -7.834
 1087    HA   PRO1052           HA       PRO1052  -6.125 -30.513  -2.214
 1088   1HB   PRO1052          HB1       PRO1052  -7.697 -30.776  -4.477
 1089   2HB   PRO1052          HB2       PRO1052  -8.009 -29.660  -3.145
 1090   1HG   PRO1052          HG1       PRO1052  -6.711 -29.146  -5.787
 1091   2HG   PRO1052          HG2       PRO1052  -7.843 -28.131  -4.875
 1092   1HD   PRO1052          HD1       PRO1052  -5.215 -27.608  -4.912
 1093   2HD   PRO1052          HD2       PRO1052  -6.188 -27.349  -3.448
 1094    H    HIS1053           H        HIS1053  -5.297 -32.479  -2.115
 1095    HA   HIS1053           HA       HIS1053  -4.579 -33.846  -4.623
 1096   1HB   HIS1053          HB1       HIS1053  -3.472 -34.082  -1.834
 1097   2HB   HIS1053          HB2       HIS1053  -3.295 -35.398  -2.988
 1098    HD1  HIS1053           HD1      HIS1053  -2.478 -31.683  -2.782
 1099    HD2  HIS1053           HD2      HIS1053  -1.094 -35.190  -4.528
 1100    HE1  HIS1053           HE1      HIS1053  -0.298 -31.083  -3.870
 1101    HE2  HIS1053           HE2      HIS1053   0.636 -33.278  -4.668
  Start of MODEL   24
    1   1H    ARG 920           H        ARG 920  -7.421 -20.677  -2.613
    2    HA   ARG 920           HA       ARG 920  -8.621 -19.781  -0.202
    3   1HB   ARG 920          HB1       ARG 920  -6.122 -19.881  -0.797
    4   2HB   ARG 920          HB2       ARG 920  -6.392 -18.345  -1.614
    5   1HG   ARG 920          HG1       ARG 920  -5.601 -17.849   0.562
    6   2HG   ARG 920          HG2       ARG 920  -7.327 -17.474   0.541
    7   1HD   ARG 920          HD1       ARG 920  -7.665 -19.845   1.432
    8   2HD   ARG 920          HD2       ARG 920  -5.936 -19.829   1.767
    9    HE   ARG 920           HE       ARG 920  -7.157 -17.539   2.887
   10   1HH1  ARG 920          2HH1      ARG 920  -7.031 -20.999   3.295
   11   2HH1  ARG 920          1HH1      ARG 920  -7.236 -20.940   5.021
   12   1HH2  ARG 920          2HH2      ARG 920  -7.441 -17.429   5.171
   13   2HH2  ARG 920          1HH2      ARG 920  -7.497 -18.916   6.088
   14    H    SER 921           H        SER 921 -10.107 -18.287   0.078
   15    HA   SER 921           HA       SER 921 -10.677 -16.338  -1.991
   16   1HB   SER 921          HB1       SER 921 -12.511 -17.374  -0.666
   17   2HB   SER 921          HB2       SER 921 -11.868 -16.603   0.783
   18    HG   SER 921           HG       SER 921 -13.263 -15.510  -1.362
   19    H    ASN 922           H        ASN 922  -8.754 -15.290  -2.064
   20    HA   ASN 922           HA       ASN 922  -6.842 -14.423  -0.736
   21   1HB   ASN 922          HB1       ASN 922  -8.103 -11.981  -1.724
   22   2HB   ASN 922          HB2       ASN 922  -6.586 -12.742  -2.194
   23   1HD2  ASN 922          2HD2      ASN 922  -6.699 -14.592  -3.595
   24   2HD2  ASN 922          1HD2      ASN 922  -7.971 -14.711  -4.760
   25    H    ASP 923           H        ASP 923  -6.977 -14.589   1.322
   26    HA   ASP 923           HA       ASP 923  -8.675 -13.675   3.211
   27   1HB   ASP 923          HB1       ASP 923  -6.479 -15.170   3.192
   28   2HB   ASP 923          HB2       ASP 923  -5.767 -13.695   3.842
   29    H    LYS 924           H        LYS 924  -7.624 -12.293   5.099
   30    HA   LYS 924           HA       LYS 924  -8.106  -9.662   4.843
   31   1HB   LYS 924          HB1       LYS 924  -7.419 -11.008   6.896
   32   2HB   LYS 924          HB2       LYS 924  -5.761 -10.632   6.463
   33   1HG   LYS 924          HG1       LYS 924  -7.665  -8.379   6.692
   34   2HG   LYS 924          HG2       LYS 924  -7.145  -9.178   8.175
   35   1HD   LYS 924          HD1       LYS 924  -4.788  -8.802   7.486
   36   2HD   LYS 924          HD2       LYS 924  -5.377  -7.896   6.088
   37   1HE   LYS 924          HE1       LYS 924  -4.726  -6.452   7.985
   38   2HE   LYS 924          HE2       LYS 924  -6.414  -6.268   7.510
   39   1HZ   LYS 924          HZ1       LYS 924  -6.113  -6.377   9.931
   40   2HZ   LYS 924          HZ2       LYS 924  -7.083  -7.644   9.357
   41   3HZ   LYS 924          HZ3       LYS 924  -5.468  -7.936   9.782
   42    H    VAL 925           H        VAL 925  -5.267 -11.243   3.608
   43    HA   VAL 925           HA       VAL 925  -3.590  -9.103   3.082
   44    HB   VAL 925           HB       VAL 925  -2.858 -10.512   1.076
   45   1HG1  VAL 925          1HG1      VAL 925  -1.719 -10.605   3.233
   46   2HG1  VAL 925          2HG1      VAL 925  -2.907 -11.760   3.836
   47   3HG1  VAL 925          3HG1      VAL 925  -1.816 -12.220   2.529
   48   1HG2  VAL 925          1HG2      VAL 925  -4.831 -12.448   2.304
   49   2HG2  VAL 925          2HG2      VAL 925  -4.966 -11.690   0.719
   50   3HG2  VAL 925          3HG2      VAL 925  -3.658 -12.828   1.041
   51    H    TYR 926           H        TYR 926  -6.261 -10.429   0.950
   52    HA   TYR 926           HA       TYR 926  -5.692  -8.444  -1.080
   53   1HB   TYR 926          HB1       TYR 926  -6.854 -10.270  -1.938
   54   2HB   TYR 926          HB2       TYR 926  -7.872 -10.447  -0.514
   55    HD1  TYR 926           HD1      TYR 926  -7.277  -8.114  -3.343
   56    HD2  TYR 926           HD2      TYR 926 -10.095  -9.788  -0.647
   57    HE1  TYR 926           HE1      TYR 926  -9.068  -6.931  -4.518
   58    HE2  TYR 926           HE2      TYR 926 -11.919  -8.619  -1.816
   59    HH   TYR 926           HH       TYR 926 -12.191  -6.594  -3.247
   60    H    GLU 927           H        GLU 927  -7.515  -8.666   1.830
   61    HA   GLU 927           HA       GLU 927  -9.463  -6.682   1.384
   62   1HB   GLU 927          HB1       GLU 927  -8.449  -8.220   3.720
   63   2HB   GLU 927          HB2       GLU 927  -9.527  -6.866   4.000
   64   1HG   GLU 927          HG1       GLU 927 -10.114  -9.216   2.221
   65   2HG   GLU 927          HG2       GLU 927 -10.704  -9.012   3.871
   66    H    ASN 928           H        ASN 928  -6.671  -6.554   3.648
   67    HA   ASN 928           HA       ASN 928  -7.224  -3.785   4.134
   68   1HB   ASN 928          HB1       ASN 928  -5.450  -3.795   5.702
   69   2HB   ASN 928          HB2       ASN 928  -6.235  -5.363   5.838
   70   1HD2  ASN 928          2HD2      ASN 928  -3.530  -4.495   6.534
   71   2HD2  ASN 928          1HD2      ASN 928  -2.477  -5.562   5.681
   72    H    VAL 929           H        VAL 929  -4.924  -5.513   2.112
   73    HA   VAL 929           HA       VAL 929  -3.327  -3.316   1.457
   74    HB   VAL 929           HB       VAL 929  -3.949  -5.677  -0.326
   75   1HG1  VAL 929          1HG1      VAL 929  -2.931  -3.810  -1.509
   76   2HG1  VAL 929          2HG1      VAL 929  -1.649  -3.729  -0.299
   77   3HG1  VAL 929          3HG1      VAL 929  -1.790  -5.146  -1.341
   78   1HG2  VAL 929          1HG2      VAL 929  -1.733  -5.267   1.683
   79   2HG2  VAL 929          2HG2      VAL 929  -3.103  -6.361   1.872
   80   3HG2  VAL 929          3HG2      VAL 929  -1.913  -6.649   0.602
   81    H    THR 930           H        THR 930  -6.396  -4.407   0.021
   82    HA   THR 930           HA       THR 930  -6.411  -2.226  -1.858
   83    HB   THR 930           HB       THR 930  -8.927  -2.699  -1.957
   84    HG1  THR 930           HG1      THR 930  -8.242  -5.130  -0.667
   85   1HG2  THR 930          1HG2      THR 930  -7.342  -3.535  -3.618
   86   2HG2  THR 930          2HG2      THR 930  -7.013  -4.941  -2.602
   87   3HG2  THR 930          3HG2      THR 930  -8.617  -4.713  -3.303
   88    H    GLY 931           H        GLY 931  -7.434  -2.822   1.405
   89   1HA   GLY 931          HA1       GLY 931  -8.676  -0.423   2.043
   90   2HA   GLY 931          HA2       GLY 931  -7.685  -1.360   3.151
   91    H    LEU 932           H        LEU 932  -5.249  -1.049   1.462
   92    HA   LEU 932           HA       LEU 932  -4.296   1.423   2.463
   93   1HB   LEU 932          HB1       LEU 932  -3.006  -0.726   1.686
   94   2HB   LEU 932          HB2       LEU 932  -3.054   0.034   0.108
   95    HG   LEU 932           HG       LEU 932  -1.818   1.285   2.574
   96   1HD1  LEU 932          1HD1      LEU 932  -0.580  -0.686   1.931
   97   2HD1  LEU 932          2HD1      LEU 932  -0.515  -0.132   0.258
   98   3HD1  LEU 932          3HD1      LEU 932   0.331   0.766   1.518
   99   1HD2  LEU 932          1HD2      LEU 932  -0.798   2.849   0.994
  100   2HD2  LEU 932          2HD2      LEU 932  -1.671   2.086  -0.335
  101   3HD2  LEU 932          3HD2      LEU 932  -2.559   2.935   0.930
  102    H    VAL 933           H        VAL 933  -5.308   0.345  -0.787
  103    HA   VAL 933           HA       VAL 933  -5.193   2.826  -2.066
  104    HB   VAL 933           HB       VAL 933  -7.235   0.633  -2.506
  105   1HG1  VAL 933          1HG1      VAL 933  -7.934   2.746  -3.519
  106   2HG1  VAL 933          2HG1      VAL 933  -6.376   2.875  -4.336
  107   3HG1  VAL 933          3HG1      VAL 933  -7.483   1.567  -4.750
  108   1HG2  VAL 933          1HG2      VAL 933  -5.723  -0.085  -4.313
  109   2HG2  VAL 933          2HG2      VAL 933  -4.556   1.136  -3.803
  110   3HG2  VAL 933          3HG2      VAL 933  -4.967  -0.197  -2.723
  111    H    LYS 934           H        LYS 934  -7.745   1.473  -0.012
  112    HA   LYS 934           HA       LYS 934  -9.598   3.563  -0.244
  113   1HB   LYS 934          HB1       LYS 934  -9.117   2.003   2.296
  114   2HB   LYS 934          HB2       LYS 934 -10.610   2.759   1.770
  115   1HG   LYS 934          HG1       LYS 934  -9.320   0.407   0.405
  116   2HG   LYS 934          HG2       LYS 934 -10.588   0.286   1.619
  117   1HD   LYS 934          HD1       LYS 934 -11.784   0.135  -0.345
  118   2HD   LYS 934          HD2       LYS 934 -11.906   1.855   0.025
  119   1HE   LYS 934          HE1       LYS 934 -10.278   2.417  -1.596
  120   2HE   LYS 934          HE2       LYS 934  -9.777   0.735  -1.781
  121   1HZ   LYS 934          HZ1       LYS 934 -12.490   1.715  -2.477
  122   2HZ   LYS 934          HZ2       LYS 934 -11.218   1.612  -3.599
  123   3HZ   LYS 934          HZ3       LYS 934 -11.807   0.208  -2.846
  124    H    ALA 935           H        ALA 935  -6.752   3.166   1.763
  125    HA   ALA 935           HA       ALA 935  -7.239   5.468   3.379
  126   1HB   ALA 935          HB1       ALA 935  -5.919   3.578   4.180
  127   2HB   ALA 935          HB2       ALA 935  -4.680   3.940   2.977
  128   3HB   ALA 935          HB3       ALA 935  -5.021   5.093   4.269
  129    H    VAL 936           H        VAL 936  -5.588   4.932   0.315
  130    HA   VAL 936           HA       VAL 936  -4.552   7.613   0.386
  131    HB   VAL 936           HB       VAL 936  -3.319   5.906  -0.855
  132   1HG1  VAL 936          1HG1      VAL 936  -5.619   5.970  -2.803
  133   2HG1  VAL 936          2HG1      VAL 936  -4.091   5.120  -3.031
  134   3HG1  VAL 936          3HG1      VAL 936  -5.194   4.624  -1.747
  135   1HG2  VAL 936          1HG2      VAL 936  -2.862   7.231  -2.870
  136   2HG2  VAL 936          2HG2      VAL 936  -4.318   8.178  -2.567
  137   3HG2  VAL 936          3HG2      VAL 936  -2.977   8.231  -1.422
  138    H    ILE 937           H        ILE 937  -7.490   6.087  -0.464
  139    HA   ILE 937           HA       ILE 937  -8.636   8.303  -1.817
  140    HB   ILE 937           HB       ILE 937  -9.992   6.229  -0.079
  141   1HG1  ILE 937          1HG1      ILE 937  -8.888   5.242  -2.029
  142   2HG1  ILE 937          2HG1      ILE 937 -10.635   5.186  -2.221
  143   1HG2  ILE 937          1HG2      ILE 937 -11.361   8.225  -0.265
  144   2HG2  ILE 937          2HG2      ILE 937 -11.177   8.212  -2.018
  145   3HG2  ILE 937          3HG2      ILE 937 -12.063   6.915  -1.215
  146   1HD1  ILE 937          1HD1      ILE 937  -9.540   5.789  -4.299
  147   2HD1  ILE 937          2HD1      ILE 937 -10.533   7.120  -3.704
  148   3HD1  ILE 937          3HD1      ILE 937  -8.781   7.175  -3.511
  149    H    GLU 938           H        GLU 938  -8.298   7.351   1.568
  150    HA   GLU 938           HA       GLU 938  -9.476   9.484   2.869
  151   1HB   GLU 938          HB1       GLU 938  -6.892   8.078   3.578
  152   2HB   GLU 938          HB2       GLU 938  -7.738   9.186   4.647
  153   1HG   GLU 938          HG1       GLU 938  -8.777   6.556   3.611
  154   2HG   GLU 938          HG2       GLU 938  -8.240   6.909   5.253
  155    H    MET 939           H        MET 939  -6.374   9.344   1.234
  156    HA   MET 939           HA       MET 939  -5.304  11.772   2.152
  157   1HB   MET 939          HB1       MET 939  -4.001  10.095   0.879
  158   2HB   MET 939          HB2       MET 939  -4.919  10.496  -0.566
  159   1HG   MET 939          HG1       MET 939  -4.061  12.817  -0.397
  160   2HG   MET 939          HG2       MET 939  -3.050  12.303   0.949
  161   1HE   MET 939          HE1       MET 939  -3.988  10.474  -2.429
  162   2HE   MET 939          HE2       MET 939  -3.695  12.152  -2.887
  163   3HE   MET 939          HE3       MET 939  -2.585  10.887  -3.414
  164    H    SER 940           H        SER 940  -7.324  11.035  -0.669
  165    HA   SER 940           HA       SER 940  -7.529  13.745  -1.521
  166   1HB   SER 940          HB1       SER 940  -9.325  11.394  -2.161
  167   2HB   SER 940          HB2       SER 940  -9.249  12.917  -3.052
  168    HG   SER 940           HG       SER 940  -7.543  10.750  -3.101
  169    H    SER 941           H        SER 941  -9.240  11.836   0.846
  170    HA   SER 941           HA       SER 941 -11.613  13.497   0.780
  171   1HB   SER 941          HB1       SER 941 -10.756  11.453   2.854
  172   2HB   SER 941          HB2       SER 941 -12.372  12.133   2.655
  173    HG   SER 941           HG       SER 941 -11.024  10.648   0.638
  174    H    LYS 942           H        LYS 942  -8.778  12.991   2.693
  175    HA   LYS 942           HA       LYS 942  -9.209  14.733   4.808
  176   1HB   LYS 942          HB1       LYS 942  -6.975  13.307   3.571
  177   2HB   LYS 942          HB2       LYS 942  -6.500  14.783   4.401
  178   1HG   LYS 942          HG1       LYS 942  -8.236  12.728   5.714
  179   2HG   LYS 942          HG2       LYS 942  -6.468  12.624   5.734
  180   1HD   LYS 942          HD1       LYS 942  -6.227  14.548   6.959
  181   2HD   LYS 942          HD2       LYS 942  -7.810  15.175   6.468
  182   1HE   LYS 942          HE1       LYS 942  -7.875  14.520   8.807
  183   2HE   LYS 942          HE2       LYS 942  -8.888  13.434   7.861
  184   1HZ   LYS 942          HZ1       LYS 942  -7.553  12.229   9.470
  185   2HZ   LYS 942          HZ2       LYS 942  -7.107  11.795   7.896
  186   3HZ   LYS 942          HZ3       LYS 942  -6.130  12.849   8.798
  187    H    ILE 943           H        ILE 943  -7.789  15.338   1.607
  188    HA   ILE 943           HA       ILE 943  -6.939  17.945   2.322
  189    HB   ILE 943           HB       ILE 943  -5.871  16.671   0.486
  190   1HG1  ILE 943          1HG1      ILE 943  -7.065  19.303  -0.413
  191   2HG1  ILE 943          2HG1      ILE 943  -5.638  19.129   0.603
  192   1HG2  ILE 943          1HG2      ILE 943  -6.939  16.568  -1.717
  193   2HG2  ILE 943          2HG2      ILE 943  -7.839  15.656  -0.505
  194   3HG2  ILE 943          3HG2      ILE 943  -8.415  17.242  -1.026
  195   1HD1  ILE 943          1HD1      ILE 943  -5.906  18.178  -2.240
  196   2HD1  ILE 943          2HD1      ILE 943  -5.042  19.617  -1.701
  197   3HD1  ILE 943          3HD1      ILE 943  -4.471  18.018  -1.227
  198    H    GLN 944           H        GLN 944  -9.921  16.622   1.166
  199    HA   GLN 944           HA       GLN 944 -11.078  18.845  -0.018
  200   1HB   GLN 944          HB1       GLN 944 -12.412  16.696   1.628
  201   2HB   GLN 944          HB2       GLN 944 -13.268  17.853   0.617
  202   1HG   GLN 944          HG1       GLN 944 -12.230  16.982  -1.358
  203   2HG   GLN 944          HG2       GLN 944 -11.201  15.921  -0.399
  204   1HE2  GLN 944          2HE2      GLN 944 -11.939  14.077  -1.402
  205   2HE2  GLN 944          1HE2      GLN 944 -13.524  13.439  -1.129
  206    HA   PRO 945           HA       PRO 945 -12.602  20.698   3.956
  207   1HB   PRO 945          HB1       PRO 945 -13.082  19.293   6.175
  208   2HB   PRO 945          HB2       PRO 945 -14.073  19.095   4.727
  209   1HG   PRO 945          HG1       PRO 945 -12.076  17.271   5.896
  210   2HG   PRO 945          HG2       PRO 945 -13.425  16.911   4.808
  211   1HD   PRO 945          HD1       PRO 945 -10.631  17.318   4.153
  212   2HD   PRO 945          HD2       PRO 945 -11.959  16.826   3.084
  213    H    ALA 946           H        ALA 946  -9.548  19.588   3.977
  214    HA   ALA 946           HA       ALA 946  -8.918  20.910   6.530
  215   1HB   ALA 946          HB1       ALA 946  -7.653  18.362   5.550
  216   2HB   ALA 946          HB2       ALA 946  -7.259  19.221   7.038
  217   3HB   ALA 946          HB3       ALA 946  -8.851  18.489   6.838
  218    HA   PRO 947           HA       PRO 947  -5.768  22.984   4.209
  219   1HB   PRO 947          HB1       PRO 947  -4.541  24.221   6.207
  220   2HB   PRO 947          HB2       PRO 947  -6.267  24.487   5.935
  221   1HG   PRO 947          HG1       PRO 947  -4.908  22.811   7.994
  222   2HG   PRO 947          HG2       PRO 947  -6.364  23.811   8.139
  223   1HD   PRO 947          HD1       PRO 947  -6.272  21.032   7.688
  224   2HD   PRO 947          HD2       PRO 947  -7.695  22.079   7.540
  225    HA   PRO 948           HA       PRO 948  -1.516  21.361   4.040
  226   1HB   PRO 948          HB1       PRO 948  -0.574  23.538   5.854
  227   2HB   PRO 948          HB2       PRO 948   0.135  22.950   4.347
  228   1HG   PRO 948          HG1       PRO 948  -1.250  25.207   4.362
  229   2HG   PRO 948          HG2       PRO 948  -1.431  24.053   3.023
  230   1HD   PRO 948          HD1       PRO 948  -3.280  24.647   5.280
  231   2HD   PRO 948          HD2       PRO 948  -3.646  24.163   3.614
  232    H    GLU 949           H        GLU 949  -2.485  22.470   7.249
  233    HA   GLU 949           HA       GLU 949  -0.836  20.978   8.892
  234   1HB   GLU 949          HB1       GLU 949  -3.727  21.774   9.196
  235   2HB   GLU 949          HB2       GLU 949  -2.845  20.942  10.468
  236   1HG   GLU 949          HG1       GLU 949  -2.081  23.590   9.273
  237   2HG   GLU 949          HG2       GLU 949  -2.937  23.366  10.800
  238    H    GLU 950           H        GLU 950  -3.259  19.914   6.752
  239    HA   GLU 950           HA       GLU 950  -3.192  17.236   7.950
  240   1HB   GLU 950          HB1       GLU 950  -5.452  18.848   7.180
  241   2HB   GLU 950          HB2       GLU 950  -5.405  17.357   6.245
  242   1HG   GLU 950          HG1       GLU 950  -6.764  17.163   8.268
  243   2HG   GLU 950          HG2       GLU 950  -5.412  16.035   8.244
  244    H    TYR 951           H        TYR 951  -2.306  19.118   5.359
  245    HA   TYR 951           HA       TYR 951  -2.542  17.428   3.167
  246   1HB   TYR 951          HB1       TYR 951  -0.671  19.579   3.968
  247   2HB   TYR 951          HB2       TYR 951  -0.134  18.501   2.690
  248    HD1  TYR 951           HD1      TYR 951  -3.535  19.913   3.371
  249    HD2  TYR 951           HD2      TYR 951  -0.181  19.720   0.777
  250    HE1  TYR 951           HE1      TYR 951  -4.729  21.297   1.728
  251    HE2  TYR 951           HE2      TYR 951  -1.340  21.094  -0.866
  252    HH   TYR 951           HH       TYR 951  -4.142  22.848  -0.145
  253    H    VAL 952           H        VAL 952   0.068  17.610   5.603
  254    HA   VAL 952           HA       VAL 952   1.227  15.223   4.492
  255    HB   VAL 952           HB       VAL 952   2.965  16.382   5.364
  256   1HG1  VAL 952          1HG1      VAL 952   1.734  18.173   6.406
  257   2HG1  VAL 952          2HG1      VAL 952   1.280  17.130   7.756
  258   3HG1  VAL 952          3HG1      VAL 952   2.969  17.587   7.520
  259   1HG2  VAL 952          1HG2      VAL 952   3.060  14.139   6.296
  260   2HG2  VAL 952          2HG2      VAL 952   3.793  15.307   7.395
  261   3HG2  VAL 952          3HG2      VAL 952   2.180  14.675   7.728
  262    HA   PRO 953           HA       PRO 953  -0.935  13.155   8.462
  263   1HB   PRO 953          HB1       PRO 953  -3.263  15.005   8.328
  264   2HB   PRO 953          HB2       PRO 953  -2.624  14.095   9.708
  265   1HG   PRO 953          HG1       PRO 953  -2.067  16.645   9.534
  266   2HG   PRO 953          HG2       PRO 953  -0.759  15.506   9.917
  267   1HD   PRO 953          HD1       PRO 953  -1.402  16.833   7.304
  268   2HD   PRO 953          HD2       PRO 953   0.177  16.592   8.083
  269    H    MET 954           H        MET 954  -2.608  14.536   5.620
  270    HA   MET 954           HA       MET 954  -4.427  12.348   5.403
  271   1HB   MET 954          HB1       MET 954  -4.988  13.153   3.231
  272   2HB   MET 954          HB2       MET 954  -4.710  14.569   4.230
  273   1HG   MET 954          HG1       MET 954  -2.447  14.750   3.254
  274   2HG   MET 954          HG2       MET 954  -2.842  13.407   2.184
  275   1HE   MET 954          HE1       MET 954  -3.758  17.060   3.249
  276   2HE   MET 954          HE2       MET 954  -5.062  17.443   2.124
  277   3HE   MET 954          HE3       MET 954  -5.303  16.218   3.369
  278    H    VAL 955           H        VAL 955  -1.400  13.128   3.773
  279    HA   VAL 955           HA       VAL 955  -0.896  10.663   2.651
  280    HB   VAL 955           HB       VAL 955   1.124  12.550   3.852
  281   1HG1  VAL 955          1HG1      VAL 955   2.694  11.511   2.318
  282   2HG1  VAL 955          2HG1      VAL 955   2.020  10.315   3.424
  283   3HG1  VAL 955          3HG1      VAL 955   1.439  10.404   1.761
  284   1HG2  VAL 955          1HG2      VAL 955   1.297  13.377   1.522
  285   2HG2  VAL 955          2HG2      VAL 955  -0.071  12.352   1.090
  286   3HG2  VAL 955          3HG2      VAL 955  -0.286  13.667   2.243
  287    H    LYS 956           H        LYS 956  -0.729  11.628   5.990
  288    HA   LYS 956           HA       LYS 956   0.792   9.414   6.932
  289   1HB   LYS 956          HB1       LYS 956   0.337  11.478   8.254
  290   2HB   LYS 956          HB2       LYS 956  -1.342  10.974   8.399
  291   1HG   LYS 956          HG1       LYS 956  -0.322   8.808   9.418
  292   2HG   LYS 956          HG2       LYS 956   1.096   9.828   9.676
  293   1HD   LYS 956          HD1       LYS 956  -0.280   9.867  11.655
  294   2HD   LYS 956          HD2       LYS 956  -0.344  11.450  10.872
  295   1HE   LYS 956          HE1       LYS 956  -2.484  10.922   9.885
  296   2HE   LYS 956          HE2       LYS 956  -2.410   9.279  10.520
  297   1HZ   LYS 956          HZ1       LYS 956  -3.820  10.518  11.928
  298   2HZ   LYS 956          HZ2       LYS 956  -2.367  10.312  12.784
  299   3HZ   LYS 956          HZ3       LYS 956  -2.719  11.802  12.054
  300    H    GLU 957           H        GLU 957  -2.587   9.979   6.271
  301    HA   GLU 957           HA       GLU 957  -3.735   7.667   7.270
  302   1HB   GLU 957          HB1       GLU 957  -4.505   9.018   4.668
  303   2HB   GLU 957          HB2       GLU 957  -5.527   7.973   5.646
  304   1HG   GLU 957          HG1       GLU 957  -4.422  10.627   6.540
  305   2HG   GLU 957          HG2       GLU 957  -6.041  10.369   5.896
  306    H    VAL 958           H        VAL 958  -2.233   8.124   4.026
  307    HA   VAL 958           HA       VAL 958  -2.491   5.370   3.357
  308    HB   VAL 958           HB       VAL 958  -1.193   5.746   1.446
  309   1HG1  VAL 958          1HG1      VAL 958  -3.282   6.976   1.444
  310   2HG1  VAL 958          2HG1      VAL 958  -2.469   8.391   2.112
  311   3HG1  VAL 958          3HG1      VAL 958  -2.050   7.814   0.499
  312   1HG2  VAL 958          1HG2      VAL 958   0.809   6.652   2.496
  313   2HG2  VAL 958          2HG2      VAL 958   0.319   7.635   1.117
  314   3HG2  VAL 958          3HG2      VAL 958  -0.009   8.191   2.758
  315    H    GLY 959           H        GLY 959  -0.166   7.109   5.275
  316   1HA   GLY 959          HA1       GLY 959   1.882   5.108   5.177
  317   2HA   GLY 959          HA2       GLY 959   1.752   6.404   6.360
  318    H    LEU 960           H        LEU 960  -0.603   5.931   7.582
  319    HA   LEU 960           HA       LEU 960  -0.280   3.669   9.207
  320   1HB   LEU 960          HB1       LEU 960  -2.801   5.222   8.589
  321   2HB   LEU 960          HB2       LEU 960  -2.638   4.063   9.895
  322    HG   LEU 960           HG       LEU 960  -1.110   6.655   9.641
  323   1HD1  LEU 960          1HD1      LEU 960  -3.475   6.971  10.186
  324   2HD1  LEU 960          2HD1      LEU 960  -3.313   5.847  11.536
  325   3HD1  LEU 960          3HD1      LEU 960  -2.434   7.375  11.551
  326   1HD2  LEU 960          1HD2      LEU 960  -0.316   6.152  11.903
  327   2HD2  LEU 960          2HD2      LEU 960  -1.120   4.582  11.832
  328   3HD2  LEU 960          3HD2      LEU 960   0.218   4.939  10.737
  329    H    ALA 961           H        ALA 961  -1.759   4.088   6.129
  330    HA   ALA 961           HA       ALA 961  -3.133   1.623   5.984
  331   1HB   ALA 961          HB1       ALA 961  -3.064   1.898   3.569
  332   2HB   ALA 961          HB2       ALA 961  -3.516   3.403   4.371
  333   3HB   ALA 961          HB3       ALA 961  -1.881   3.194   3.743
  334    H    LEU 962           H        LEU 962   0.160   2.517   4.818
  335    HA   LEU 962           HA       LEU 962   0.999  -0.080   4.255
  336   1HB   LEU 962          HB1       LEU 962   2.353   1.630   3.471
  337   2HB   LEU 962          HB2       LEU 962   2.428   2.431   5.032
  338    HG   LEU 962           HG       LEU 962   3.838   0.500   5.844
  339   1HD1  LEU 962          1HD1      LEU 962   3.199  -1.150   4.186
  340   2HD1  LEU 962          2HD1      LEU 962   3.899  -0.162   2.907
  341   3HD1  LEU 962          3HD1      LEU 962   4.939  -0.872   4.140
  342   1HD2  LEU 962          1HD2      LEU 962   4.826   2.634   5.233
  343   2HD2  LEU 962          2HD2      LEU 962   5.877   1.305   4.742
  344   3HD2  LEU 962          3HD2      LEU 962   4.891   2.139   3.542
  345    H    ARG 963           H        ARG 963   1.213   1.707   7.364
  346    HA   ARG 963           HA       ARG 963   2.341  -0.276   8.919
  347   1HB   ARG 963          HB1       ARG 963   1.843   1.925   9.816
  348   2HB   ARG 963          HB2       ARG 963   0.116   1.637   9.658
  349   1HG   ARG 963          HG1       ARG 963   0.733   1.379  11.950
  350   2HG   ARG 963          HG2       ARG 963   0.319  -0.205  11.296
  351   1HD   ARG 963          HD1       ARG 963   2.262  -0.536  12.582
  352   2HD   ARG 963          HD2       ARG 963   2.797  -0.536  10.903
  353    HE   ARG 963           HE       ARG 963   2.961   2.006  12.312
  354   1HH1  ARG 963          2HH1      ARG 963   4.602  -0.882  11.223
  355   2HH1  ARG 963          1HH1      ARG 963   6.193  -0.224  11.426
  356   1HH2  ARG 963          2HH2      ARG 963   5.058   2.881  12.623
  357   2HH2  ARG 963          1HH2      ARG 963   6.453   1.922  12.227
  358    H    THR 964           H        THR 964  -1.160   0.201   8.466
  359    HA   THR 964           HA       THR 964  -2.061  -2.189   9.575
  360    HB   THR 964           HB       THR 964  -3.238  -0.779   7.164
  361    HG1  THR 964           HG1      THR 964  -3.183   0.739   8.747
  362   1HG2  THR 964          1HG2      THR 964  -5.382  -1.699   8.015
  363   2HG2  THR 964          2HG2      THR 964  -4.255  -2.951   7.494
  364   3HG2  THR 964          3HG2      THR 964  -4.476  -2.624   9.213
  365    H    LEU 965           H        LEU 965  -1.028  -1.508   6.283
  366    HA   LEU 965           HA       LEU 965  -1.392  -3.935   5.021
  367   1HB   LEU 965          HB1       LEU 965  -0.594  -1.729   4.087
  368   2HB   LEU 965          HB2       LEU 965   0.990  -2.098   4.736
  369    HG   LEU 965           HG       LEU 965   0.752  -4.261   3.274
  370   1HD1  LEU 965          1HD1      LEU 965  -1.579  -3.817   2.676
  371   2HD1  LEU 965          2HD1      LEU 965  -1.083  -2.317   1.892
  372   3HD1  LEU 965          3HD1      LEU 965  -0.531  -3.867   1.257
  373   1HD2  LEU 965          1HD2      LEU 965   1.270  -1.548   2.065
  374   2HD2  LEU 965          2HD2      LEU 965   2.430  -2.476   3.016
  375   3HD2  LEU 965          3HD2      LEU 965   1.864  -3.095   1.464
  376    H    LEU 966           H        LEU 966   1.218  -2.850   7.094
  377    HA   LEU 966           HA       LEU 966   3.027  -4.957   6.720
  378   1HB   LEU 966          HB1       LEU 966   3.490  -2.759   7.810
  379   2HB   LEU 966          HB2       LEU 966   2.616  -3.313   9.220
  380    HG   LEU 966           HG       LEU 966   4.979  -4.880   8.251
  381   1HD1  LEU 966          1HD1      LEU 966   5.747  -2.571   8.328
  382   2HD1  LEU 966          2HD1      LEU 966   5.081  -2.389   9.952
  383   3HD1  LEU 966          3HD1      LEU 966   6.427  -3.496   9.668
  384   1HD2  LEU 966          1HD2      LEU 966   3.821  -4.328  10.987
  385   2HD2  LEU 966          2HD2      LEU 966   3.592  -5.804  10.049
  386   3HD2  LEU 966          3HD2      LEU 966   5.198  -5.374  10.641
  387    H    ALA 967           H        ALA 967   0.231  -4.666   8.842
  388    HA   ALA 967           HA       ALA 967   0.643  -7.011  10.352
  389   1HB   ALA 967          HB1       ALA 967  -1.972  -5.756   9.523
  390   2HB   ALA 967          HB2       ALA 967  -1.753  -6.936  10.815
  391   3HB   ALA 967          HB3       ALA 967  -1.030  -5.332  10.952
  392    H    THR 968           H        THR 968  -0.823  -6.449   7.205
  393    HA   THR 968           HA       THR 968  -1.594  -9.174   6.782
  394    HB   THR 968           HB       THR 968  -1.669  -6.711   5.238
  395    HG1  THR 968           HG1      THR 968  -3.610  -7.628   4.627
  396   1HG2  THR 968          1HG2      THR 968  -1.739  -7.761   3.020
  397   2HG2  THR 968          2HG2      THR 968  -0.132  -7.868   3.738
  398   3HG2  THR 968          3HG2      THR 968  -1.187  -9.281   3.725
  399    H    VAL 969           H        VAL 969   1.265  -7.286   6.089
  400    HA   VAL 969           HA       VAL 969   2.723  -9.124   4.597
  401    HB   VAL 969           HB       VAL 969   3.779  -7.235   6.713
  402   1HG1  VAL 969          1HG1      VAL 969   5.416  -8.965   6.154
  403   2HG1  VAL 969          2HG1      VAL 969   5.240  -8.582   4.441
  404   3HG1  VAL 969          3HG1      VAL 969   5.920  -7.388   5.546
  405   1HG2  VAL 969          1HG2      VAL 969   2.539  -6.054   5.009
  406   2HG2  VAL 969          2HG2      VAL 969   4.264  -5.761   4.792
  407   3HG2  VAL 969          3HG2      VAL 969   3.424  -6.898   3.739
  408    H    ASP 970           H        ASP 970   1.962  -9.093   8.007
  409    HA   ASP 970           HA       ASP 970   3.747 -11.274   8.643
  410   1HB   ASP 970          HB1       ASP 970   3.211  -9.558  10.333
  411   2HB   ASP 970          HB2       ASP 970   1.516 -10.023  10.268
  412    H    GLU 971           H        GLU 971   0.375 -10.965   7.824
  413    HA   GLU 971           HA       GLU 971  -0.262 -13.717   8.302
  414   1HB   GLU 971          HB1       GLU 971  -1.472 -11.917   6.188
  415   2HB   GLU 971          HB2       GLU 971  -2.207 -13.336   6.923
  416   1HG   GLU 971          HG1       GLU 971  -1.518 -10.801   8.378
  417   2HG   GLU 971          HG2       GLU 971  -3.121 -11.211   7.762
  418    H    SER 972           H        SER 972   0.794 -11.841   5.574
  419    HA   SER 972           HA       SER 972   1.208 -13.965   3.798
  420   1HB   SER 972          HB1       SER 972   0.904 -11.669   3.065
  421   2HB   SER 972          HB2       SER 972   2.445 -11.216   3.823
  422    HG   SER 972           HG       SER 972   3.225 -13.089   2.375
  423    H    LEU 973           H        LEU 973   3.086 -12.815   6.463
  424    HA   LEU 973           HA       LEU 973   5.620 -13.657   5.640
  425   1HB   LEU 973          HB1       LEU 973   5.014 -12.292   7.701
  426   2HB   LEU 973          HB2       LEU 973   4.611 -13.802   8.487
  427    HG   LEU 973           HG       LEU 973   7.353 -13.295   7.341
  428   1HD1  LEU 973          1HD1      LEU 973   6.375 -12.690  10.129
  429   2HD1  LEU 973          2HD1      LEU 973   8.051 -12.621   9.586
  430   3HD1  LEU 973          3HD1      LEU 973   6.862 -11.503   8.920
  431   1HD2  LEU 973          1HD2      LEU 973   6.798 -15.617   7.866
  432   2HD2  LEU 973          2HD2      LEU 973   8.021 -14.990   8.972
  433   3HD2  LEU 973          3HD2      LEU 973   6.345 -15.143   9.505
  434    HA   PRO 974           HA       PRO 974   4.686 -18.103   7.387
  435   1HB   PRO 974          HB1       PRO 974   1.721 -18.107   7.196
  436   2HB   PRO 974          HB2       PRO 974   2.776 -18.895   8.374
  437   1HG   PRO 974          HG1       PRO 974   1.392 -16.725   9.037
  438   2HG   PRO 974          HG2       PRO 974   3.052 -16.961   9.619
  439   1HD   PRO 974          HD1       PRO 974   2.052 -15.216   7.407
  440   2HD   PRO 974          HD2       PRO 974   3.301 -14.887   8.624
  441    H    VAL 975           H        VAL 975   2.493 -16.458   5.085
  442    HA   VAL 975           HA       VAL 975   2.458 -18.816   3.405
  443    HB   VAL 975           HB       VAL 975   1.195 -17.544   1.803
  444   1HG1  VAL 975          1HG1      VAL 975  -0.729 -16.902   3.189
  445   2HG1  VAL 975          2HG1      VAL 975  -0.040 -18.457   3.651
  446   3HG1  VAL 975          3HG1      VAL 975   0.296 -17.023   4.618
  447   1HG2  VAL 975          1HG2      VAL 975   1.733 -15.149   3.493
  448   2HG2  VAL 975          2HG2      VAL 975   2.329 -15.451   1.860
  449   3HG2  VAL 975          3HG2      VAL 975   0.603 -15.221   2.142
  450    H    LEU 976           H        LEU 976   4.786 -16.439   3.926
  451    HA   LEU 976           HA       LEU 976   5.633 -16.357   1.184
  452   1HB   LEU 976          HB1       LEU 976   7.321 -14.807   1.750
  453   2HB   LEU 976          HB2       LEU 976   5.845 -14.341   2.549
  454    HG   LEU 976           HG       LEU 976   6.895 -15.470   4.640
  455   1HD1  LEU 976          1HD1      LEU 976   8.766 -16.540   3.509
  456   2HD1  LEU 976          2HD1      LEU 976   9.346 -14.966   2.963
  457   3HD1  LEU 976          3HD1      LEU 976   9.338 -15.353   4.683
  458   1HD2  LEU 976          1HD2      LEU 976   8.013 -13.373   5.202
  459   2HD2  LEU 976          2HD2      LEU 976   7.974 -12.897   3.504
  460   3HD2  LEU 976          3HD2      LEU 976   6.468 -13.086   4.401
  461    HA   PRO 977           HA       PRO 977   9.136 -19.259   2.613
  462   1HB   PRO 977          HB1       PRO 977   8.557 -20.970   4.645
  463   2HB   PRO 977          HB2       PRO 977   9.448 -19.461   4.889
  464   1HG   PRO 977          HG1       PRO 977   6.565 -20.066   5.373
  465   2HG   PRO 977          HG2       PRO 977   7.694 -19.113   6.355
  466   1HD   PRO 977          HD1       PRO 977   5.872 -17.981   4.699
  467   2HD   PRO 977          HD2       PRO 977   7.442 -17.237   5.053
  468    H    ALA 978           H        ALA 978   5.730 -19.925   3.137
  469    HA   ALA 978           HA       ALA 978   5.545 -22.456   1.990
  470   1HB   ALA 978          HB1       ALA 978   3.573 -20.185   1.761
  471   2HB   ALA 978          HB2       ALA 978   3.226 -21.894   1.500
  472   3HB   ALA 978          HB3       ALA 978   3.679 -21.323   3.105
  473    H    SER 979           H        SER 979   5.102 -19.298   0.339
  474    HA   SER 979           HA       SER 979   6.498 -20.152  -2.001
  475   1HB   SER 979          HB1       SER 979   3.485 -20.202  -1.996
  476   2HB   SER 979          HB2       SER 979   4.391 -19.921  -3.487
  477    HG   SER 979           HG       SER 979   5.146 -22.090  -1.890
  478    H    THR 980           H        THR 980   5.214 -17.762  -0.089
  479    HA   THR 980           HA       THR 980   4.620 -15.851  -2.170
  480    HB   THR 980           HB       THR 980   4.503 -15.569   0.822
  481    HG1  THR 980           HG1      THR 980   2.943 -16.975   0.220
  482   1HG2  THR 980          1HG2      THR 980   3.468 -13.759  -1.363
  483   2HG2  THR 980          2HG2      THR 980   3.089 -13.599   0.351
  484   3HG2  THR 980          3HG2      THR 980   4.749 -13.385  -0.208
  485    H    HIS 981           H        HIS 981   7.400 -16.418  -0.103
  486    HA   HIS 981           HA       HIS 981   8.322 -13.874   0.363
  487   1HB   HIS 981          HB1       HIS 981   9.421 -15.879   1.259
  488   2HB   HIS 981          HB2       HIS 981  10.011 -16.288  -0.346
  489    HD1  HIS 981           HD1      HIS 981  10.907 -14.427   2.678
  490    HD2  HIS 981           HD2      HIS 981  12.004 -14.397  -1.334
  491    HE1  HIS 981           HE1      HIS 981  13.053 -13.135   2.571
  492    HE2  HIS 981           HE2      HIS 981  13.595 -12.968   0.117
  493    H    ARG 982           H        ARG 982   8.672 -15.715  -2.604
  494    HA   ARG 982           HA       ARG 982  10.258 -13.924  -4.039
  495   1HB   ARG 982          HB1       ARG 982   8.037 -15.720  -5.015
  496   2HB   ARG 982          HB2       ARG 982   9.179 -14.894  -6.070
  497   1HG   ARG 982          HG1       ARG 982  10.998 -16.145  -5.258
  498   2HG   ARG 982          HG2       ARG 982  10.069 -16.749  -3.886
  499   1HD   ARG 982          HD1       ARG 982   9.544 -17.400  -6.781
  500   2HD   ARG 982          HD2       ARG 982  10.368 -18.448  -5.629
  501    HE   ARG 982           HE       ARG 982   7.860 -17.747  -4.583
  502   1HH1  ARG 982          2HH1      ARG 982   9.294 -19.716  -7.085
  503   2HH1  ARG 982          1HH1      ARG 982   7.927 -20.791  -7.207
  504   1HH2  ARG 982          2HH2      ARG 982   6.078 -19.164  -4.702
  505   2HH2  ARG 982          1HH2      ARG 982   6.093 -20.480  -5.838
  506    H    GLU 983           H        GLU 983   6.645 -14.010  -3.979
  507    HA   GLU 983           HA       GLU 983   6.457 -11.611  -5.502
  508   1HB   GLU 983          HB1       GLU 983   4.639 -13.550  -4.873
  509   2HB   GLU 983          HB2       GLU 983   4.149 -12.240  -3.817
  510   1HG   GLU 983          HG1       GLU 983   2.941 -11.678  -5.651
  511   2HG   GLU 983          HG2       GLU 983   4.454 -10.830  -6.032
  512    H    ILE 984           H        ILE 984   6.042 -12.341  -2.048
  513    HA   ILE 984           HA       ILE 984   4.970  -9.883  -1.316
  514    HB   ILE 984           HB       ILE 984   4.933 -11.797   0.197
  515   1HG1  ILE 984          1HG1      ILE 984   5.640 -10.602   2.305
  516   2HG1  ILE 984          2HG1      ILE 984   6.327  -9.338   1.290
  517   1HG2  ILE 984          1HG2      ILE 984   6.922 -12.423   1.491
  518   2HG2  ILE 984          2HG2      ILE 984   7.152 -12.697  -0.237
  519   3HG2  ILE 984          3HG2      ILE 984   7.891 -11.298   0.540
  520   1HD1  ILE 984          1HD1      ILE 984   3.434 -10.156   1.378
  521   2HD1  ILE 984          2HD1      ILE 984   4.134  -8.712   2.109
  522   3HD1  ILE 984          3HD1      ILE 984   4.119  -8.894   0.355
  523    H    GLU 985           H        GLU 985   8.315 -10.872  -1.700
  524    HA   GLU 985           HA       GLU 985   9.360  -8.429  -0.668
  525   1HB   GLU 985          HB1       GLU 985  10.625 -10.673  -2.217
  526   2HB   GLU 985          HB2       GLU 985  11.520  -9.236  -1.735
  527   1HG   GLU 985          HG1       GLU 985  10.113 -11.140   0.129
  528   2HG   GLU 985          HG2       GLU 985  11.851 -11.076  -0.169
  529    H    MET 986           H        MET 986   8.292  -9.457  -3.881
  530    HA   MET 986           HA       MET 986   9.677  -7.439  -5.271
  531   1HB   MET 986          HB1       MET 986   8.435  -7.899  -7.165
  532   2HB   MET 986          HB2       MET 986   8.440  -9.427  -6.308
  533   1HG   MET 986          HG1       MET 986   6.193  -9.189  -5.667
  534   2HG   MET 986          HG2       MET 986   6.156  -7.480  -6.119
  535   1HE   MET 986          HE1       MET 986   3.766  -8.996  -8.840
  536   2HE   MET 986          HE2       MET 986   3.866  -9.452  -7.138
  537   3HE   MET 986          HE3       MET 986   3.964  -7.752  -7.603
  538    H    ALA 987           H        ALA 987   6.418  -7.459  -3.903
  539    HA   ALA 987           HA       ALA 987   5.970  -4.716  -4.612
  540   1HB   ALA 987          HB1       ALA 987   4.153  -6.383  -4.598
  541   2HB   ALA 987          HB2       ALA 987   4.309  -6.491  -2.845
  542   3HB   ALA 987          HB3       ALA 987   3.818  -4.971  -3.595
  543    H    GLN 988           H        GLN 988   6.706  -6.537  -1.640
  544    HA   GLN 988           HA       GLN 988   6.091  -4.433   0.115
  545   1HB   GLN 988          HB1       GLN 988   6.370  -6.831   0.781
  546   2HB   GLN 988          HB2       GLN 988   8.107  -6.640   0.599
  547   1HG   GLN 988          HG1       GLN 988   6.628  -4.806   2.424
  548   2HG   GLN 988          HG2       GLN 988   6.968  -6.455   2.942
  549   1HE2  GLN 988          2HE2      GLN 988   9.497  -6.633   1.528
  550   2HE2  GLN 988          1HE2      GLN 988  10.612  -5.638   2.404
  551    H    LYS 989           H        LYS 989   9.204  -5.349  -1.395
  552    HA   LYS 989           HA       LYS 989  10.690  -3.262  -0.174
  553   1HB   LYS 989          HB1       LYS 989  11.588  -5.308  -1.456
  554   2HB   LYS 989          HB2       LYS 989  11.255  -4.395  -2.918
  555   1HG   LYS 989          HG1       LYS 989  13.051  -3.395  -0.718
  556   2HG   LYS 989          HG2       LYS 989  13.626  -4.314  -2.109
  557   1HD   LYS 989          HD1       LYS 989  12.836  -2.589  -3.615
  558   2HD   LYS 989          HD2       LYS 989  12.131  -1.697  -2.266
  559   1HE   LYS 989          HE1       LYS 989  14.409  -1.460  -1.304
  560   2HE   LYS 989          HE2       LYS 989  15.060  -2.234  -2.748
  561   1HZ   LYS 989          HZ1       LYS 989  13.583   0.339  -2.628
  562   2HZ   LYS 989          HZ2       LYS 989  15.227   0.128  -2.978
  563   3HZ   LYS 989          HZ3       LYS 989  14.053  -0.428  -4.065
  564    H    LEU 990           H        LEU 990   8.847  -3.542  -3.148
  565    HA   LEU 990           HA       LEU 990   9.358  -1.031  -4.250
  566   1HB   LEU 990          HB1       LEU 990   8.336  -2.381  -5.752
  567   2HB   LEU 990          HB2       LEU 990   7.371  -3.184  -4.536
  568    HG   LEU 990           HG       LEU 990   5.798  -1.293  -4.553
  569   1HD1  LEU 990          1HD1      LEU 990   7.480  -0.287  -6.858
  570   2HD1  LEU 990          2HD1      LEU 990   5.929   0.380  -6.347
  571   3HD1  LEU 990          3HD1      LEU 990   7.330   0.485  -5.279
  572   1HD2  LEU 990          1HD2      LEU 990   6.333  -2.514  -7.252
  573   2HD2  LEU 990          2HD2      LEU 990   5.399  -3.245  -5.946
  574   3HD2  LEU 990          3HD2      LEU 990   4.818  -1.776  -6.734
  575    H    LEU 991           H        LEU 991   6.761  -2.024  -1.993
  576    HA   LEU 991           HA       LEU 991   5.599   0.600  -2.039
  577   1HB   LEU 991          HB1       LEU 991   4.147  -0.313  -0.180
  578   2HB   LEU 991          HB2       LEU 991   4.016  -1.079  -1.746
  579    HG   LEU 991           HG       LEU 991   5.662  -2.831  -0.768
  580   1HD1  LEU 991          1HD1      LEU 991   6.202  -1.595   1.278
  581   2HD1  LEU 991          2HD1      LEU 991   4.508  -1.663   1.766
  582   3HD1  LEU 991          3HD1      LEU 991   5.449  -3.149   1.636
  583   1HD2  LEU 991          1HD2      LEU 991   3.381  -3.276  -1.410
  584   2HD2  LEU 991          2HD2      LEU 991   3.753  -4.083   0.115
  585   3HD2  LEU 991          3HD2      LEU 991   2.795  -2.600   0.110
  586    H    ASN 992           H        ASN 992   7.840  -1.108   0.003
  587    HA   ASN 992           HA       ASN 992   7.869   0.627   2.191
  588   1HB   ASN 992          HB1       ASN 992   9.147  -1.459   2.188
  589   2HB   ASN 992          HB2       ASN 992  10.174  -0.854   0.894
  590   1HD2  ASN 992          2HD2      ASN 992   9.428  -0.693   4.278
  591   2HD2  ASN 992          1HD2      ASN 992  10.841   0.188   4.749
  592    H    SER 993           H        SER 993   9.420   0.815  -0.953
  593    HA   SER 993           HA       SER 993  10.991   3.110  -0.298
  594   1HB   SER 993          HB1       SER 993  10.413   1.930  -3.024
  595   2HB   SER 993          HB2       SER 993  11.761   2.979  -2.587
  596    HG   SER 993           HG       SER 993  11.276   0.310  -1.743
  597    H    ASP 994           H        ASP 994   7.782   2.650  -1.538
  598    HA   ASP 994           HA       ASP 994   7.826   5.338  -2.720
  599   1HB   ASP 994          HB1       ASP 994   6.195   2.914  -3.386
  600   2HB   ASP 994          HB2       ASP 994   5.639   4.524  -3.838
  601    H    LEU 995           H        LEU 995   5.738   3.239  -0.708
  602    HA   LEU 995           HA       LEU 995   3.884   5.184   0.066
  603   1HB   LEU 995          HB1       LEU 995   4.250   2.573   0.759
  604   2HB   LEU 995          HB2       LEU 995   4.860   3.349   2.203
  605    HG   LEU 995           HG       LEU 995   2.620   2.813   2.628
  606   1HD1  LEU 995          1HD1      LEU 995   2.741   5.728   1.900
  607   2HD1  LEU 995          2HD1      LEU 995   1.563   4.976   2.976
  608   3HD1  LEU 995          3HD1      LEU 995   3.269   5.007   3.421
  609   1HD2  LEU 995          1HD2      LEU 995   1.919   4.144   0.020
  610   2HD2  LEU 995          2HD2      LEU 995   1.880   2.413   0.356
  611   3HD2  LEU 995          3HD2      LEU 995   0.764   3.500   1.186
  612    H    ALA 996           H        ALA 996   6.940   4.229   1.565
  613    HA   ALA 996           HA       ALA 996   7.112   6.238   3.476
  614   1HB   ALA 996          HB1       ALA 996   8.638   4.336   3.433
  615   2HB   ALA 996          HB2       ALA 996   9.425   4.999   2.002
  616   3HB   ALA 996          HB3       ALA 996   9.510   5.865   3.536
  617    H    GLU 997           H        GLU 997   8.322   6.373   0.091
  618    HA   GLU 997           HA       GLU 997   9.433   8.914   0.374
  619   1HB   GLU 997          HB1       GLU 997  10.046   7.685  -1.542
  620   2HB   GLU 997          HB2       GLU 997   8.373   7.445  -2.030
  621   1HG   GLU 997          HG1       GLU 997   8.165   9.760  -2.624
  622   2HG   GLU 997          HG2       GLU 997   9.769  10.110  -1.985
  623    H    LEU 998           H        LEU 998   6.115   7.951  -0.215
  624    HA   LEU 998           HA       LEU 998   5.308  10.518  -1.175
  625   1HB   LEU 998          HB1       LEU 998   4.237   8.185  -1.535
  626   2HB   LEU 998          HB2       LEU 998   3.433   8.495  -0.011
  627    HG   LEU 998           HG       LEU 998   2.200   9.034  -2.225
  628   1HD1  LEU 998          1HD1      LEU 998   2.336  11.094  -0.034
  629   2HD1  LEU 998          2HD1      LEU 998   1.030  10.908  -1.203
  630   3HD1  LEU 998          3HD1      LEU 998   1.344   9.635  -0.020
  631   1HD2  LEU 998          1HD2      LEU 998   3.963  11.462  -1.966
  632   2HD2  LEU 998          2HD2      LEU 998   3.987  10.284  -3.278
  633   3HD2  LEU 998          3HD2      LEU 998   2.573  11.312  -3.041
  634    H    ILE 999           H        ILE 999   5.259   8.937   2.004
  635    HA   ILE 999           HA       ILE 999   3.789  10.983   3.305
  636    HB   ILE 999           HB       ILE 999   4.569  10.136   5.419
  637   1HG1  ILE 999          1HG1      ILE 999   6.527   8.449   3.848
  638   2HG1  ILE 999          2HG1      ILE 999   6.947   9.831   4.852
  639   1HG2  ILE 999          1HG2      ILE 999   4.062   7.901   3.462
  640   2HG2  ILE 999          2HG2      ILE 999   3.886   7.791   5.215
  641   3HG2  ILE 999          3HG2      ILE 999   2.841   8.868   4.288
  642   1HD1  ILE 999          1HD1      ILE 999   7.404   7.737   5.990
  643   2HD1  ILE 999          2HD1      ILE 999   6.139   8.641   6.823
  644   3HD1  ILE 999          3HD1      ILE 999   5.715   7.259   5.815
  645    H    ASN1000           H        ASN1000   7.046  10.710   2.345
  646    HA   ASN1000           HA       ASN1000   7.863  13.176   3.744
  647   1HB   ASN1000          HB1       ASN1000   9.411  11.305   1.935
  648   2HB   ASN1000          HB2       ASN1000  10.088  12.749   2.671
  649   1HD2  ASN1000          2HD2      ASN1000   9.138   9.479   3.132
  650   2HD2  ASN1000          1HD2      ASN1000   9.760   9.306   4.735
  651    H    LYS1001           H        LYS1001   6.268  12.343   1.016
  652    HA   LYS1001           HA       LYS1001   7.611  14.186  -0.787
  653   1HB   LYS1001          HB1       LYS1001   6.287  11.867  -1.281
  654   2HB   LYS1001          HB2       LYS1001   5.021  13.043  -1.612
  655   1HG   LYS1001          HG1       LYS1001   6.182  12.527  -3.648
  656   2HG   LYS1001          HG2       LYS1001   6.544  14.191  -3.180
  657   1HD   LYS1001          HD1       LYS1001   8.681  13.483  -2.252
  658   2HD   LYS1001          HD2       LYS1001   8.318  11.803  -2.658
  659   1HE   LYS1001          HE1       LYS1001   8.197  12.463  -5.045
  660   2HE   LYS1001          HE2       LYS1001   8.688  14.094  -4.586
  661   1HZ   LYS1001          HZ1       LYS1001  10.749  13.160  -3.692
  662   2HZ   LYS1001          HZ2       LYS1001  10.278  11.611  -4.205
  663   3HZ   LYS1001          HZ3       LYS1001  10.575  12.827  -5.345
  664    H    MET1002           H        MET1002   4.415  13.827   0.774
  665    HA   MET1002           HA       MET1002   3.732  16.528   0.025
  666   1HB   MET1002          HB1       MET1002   1.896  14.973   0.268
  667   2HB   MET1002          HB2       MET1002   2.374  14.619   1.927
  668   1HG   MET1002          HG1       MET1002   0.532  16.125   1.993
  669   2HG   MET1002          HG2       MET1002   1.985  17.000   2.492
  670   1HE   MET1002          HE1       MET1002   0.455  15.976  -1.010
  671   2HE   MET1002          HE2       MET1002  -0.885  16.657  -0.087
  672   3HE   MET1002          HE3       MET1002  -0.262  17.512  -1.498
  673    H    LYS1003           H        LYS1003   4.994  14.785   2.816
  674    HA   LYS1003           HA       LYS1003   5.031  16.892   4.627
  675   1HB   LYS1003          HB1       LYS1003   5.782  14.575   5.161
  676   2HB   LYS1003          HB2       LYS1003   7.241  14.857   4.216
  677   1HG   LYS1003          HG1       LYS1003   7.899  16.638   5.738
  678   2HG   LYS1003          HG2       LYS1003   6.416  16.406   6.665
  679   1HD   LYS1003          HD1       LYS1003   8.560  14.316   6.274
  680   2HD   LYS1003          HD2       LYS1003   8.381  15.326   7.709
  681   1HE   LYS1003          HE1       LYS1003   6.105  14.389   8.022
  682   2HE   LYS1003          HE2       LYS1003   6.399  13.309   6.658
  683   1HZ   LYS1003          HZ1       LYS1003   7.948  13.380   9.193
  684   2HZ   LYS1003          HZ2       LYS1003   6.820  12.193   8.751
  685   3HZ   LYS1003          HZ3       LYS1003   8.263  12.355   7.879
  686    H    LEU1004           H        LEU1004   7.499  15.977   2.221
  687    HA   LEU1004           HA       LEU1004   9.102  18.188   2.210
  688   1HB   LEU1004          HB1       LEU1004   9.301  16.091   0.856
  689   2HB   LEU1004          HB2       LEU1004   8.096  16.751  -0.229
  690    HG   LEU1004           HG       LEU1004   9.631  18.644  -0.723
  691   1HD1  LEU1004          1HD1      LEU1004  11.601  17.026   0.886
  692   2HD1  LEU1004          2HD1      LEU1004  11.982  18.450  -0.085
  693   3HD1  LEU1004          3HD1      LEU1004  10.940  18.599   1.331
  694   1HD2  LEU1004          1HD2      LEU1004   9.511  16.697  -2.191
  695   2HD2  LEU1004          2HD2      LEU1004  11.148  17.352  -2.134
  696   3HD2  LEU1004          3HD2      LEU1004  10.750  15.892  -1.229
  697    H    ALA1005           H        ALA1005   6.122  17.786   0.265
  698    HA   ALA1005           HA       ALA1005   6.180  20.294  -0.968
  699   1HB   ALA1005          HB1       ALA1005   3.768  19.985  -1.359
  700   2HB   ALA1005          HB2       ALA1005   4.696  18.533  -1.739
  701   3HB   ALA1005          HB3       ALA1005   3.776  18.626  -0.236
  702    H    GLN1006           H        GLN1006   4.609  19.284   2.011
  703    HA   GLN1006           HA       GLN1006   3.711  21.931   2.640
  704   1HB   GLN1006          HB1       GLN1006   3.748  19.363   4.243
  705   2HB   GLN1006          HB2       GLN1006   2.988  20.863   4.794
  706   1HG   GLN1006          HG1       GLN1006   2.211  19.037   2.583
  707   2HG   GLN1006          HG2       GLN1006   1.244  19.674   3.914
  708   1HE2  GLN1006          2HE2      GLN1006   2.419  20.220   0.729
  709   2HE2  GLN1006          1HE2      GLN1006   1.545  21.675   0.421
  710    H    GLN1007           H        GLN1007   6.645  20.373   2.786
  711    HA   GLN1007           HA       GLN1007   7.687  21.892   5.004
  712   1HB   GLN1007          HB1       GLN1007   8.307  19.460   3.875
  713   2HB   GLN1007          HB2       GLN1007   9.541  20.518   3.208
  714   1HG   GLN1007          HG1       GLN1007  10.283  19.397   5.239
  715   2HG   GLN1007          HG2       GLN1007  10.238  21.149   5.446
  716   1HE2  GLN1007          2HE2      GLN1007   7.292  19.247   5.403
  717   2HE2  GLN1007          1HE2      GLN1007   6.951  19.404   7.103
  718    H    TYR1008           H        TYR1008   6.977  22.323   1.822
  719    HA   TYR1008           HA       TYR1008   8.817  24.601   1.543
  720   1HB   TYR1008          HB1       TYR1008   9.602  22.727   0.176
  721   2HB   TYR1008          HB2       TYR1008   8.012  22.561  -0.550
  722    HD1  TYR1008           HD1      TYR1008   7.790  23.353  -2.692
  723    HD2  TYR1008           HD2      TYR1008  10.591  25.236  -0.093
  724    HE1  TYR1008           HE1      TYR1008   8.495  24.840  -4.530
  725    HE2  TYR1008           HE2      TYR1008  11.295  26.725  -1.914
  726    HH   TYR1008           HH       TYR1008  11.289  26.838  -4.307
  727    H    VAL1009           H        VAL1009   5.867  23.907   2.237
  728    HA   VAL1009           HA       VAL1009   4.141  24.872   0.316
  729    HB   VAL1009           HB       VAL1009   3.278  23.784   2.288
  730   1HG1  VAL1009          1HG1      VAL1009   3.247  24.867   4.485
  731   2HG1  VAL1009          2HG1      VAL1009   4.892  24.550   3.932
  732   3HG1  VAL1009          3HG1      VAL1009   4.232  26.185   3.847
  733   1HG2  VAL1009          1HG2      VAL1009   1.446  25.296   2.871
  734   2HG2  VAL1009          2HG2      VAL1009   2.334  26.648   2.165
  735   3HG2  VAL1009          3HG2      VAL1009   1.782  25.322   1.139
  736    H    MET1010           H        MET1010   4.325  26.650  -0.763
  737    HA   MET1010           HA       MET1010   4.486  29.212   0.607
  738   1HB   MET1010          HB1       MET1010   6.831  28.667   0.131
  739   2HB   MET1010          HB2       MET1010   6.434  28.347  -1.550
  740   1HG   MET1010          HG1       MET1010   7.526  30.513  -1.224
  741   2HG   MET1010          HG2       MET1010   5.913  30.666  -1.916
  742   1HE   MET1010          HE1       MET1010   6.226  33.908   0.244
  743   2HE   MET1010          HE2       MET1010   7.528  33.116  -0.641
  744   3HE   MET1010          HE3       MET1010   5.924  33.245  -1.363
  745    H    THR1011           H        THR1011   3.754  30.964  -0.748
  746    HA   THR1011           HA       THR1011   1.532  30.436  -2.294
  747    HB   THR1011           HB       THR1011   3.338  32.853  -2.504
  748    HG1  THR1011           HG1      THR1011   1.575  31.950  -0.569
  749   1HG2  THR1011          1HG2      THR1011   0.401  32.541  -3.150
  750   2HG2  THR1011          2HG2      THR1011   1.334  34.032  -3.255
  751   3HG2  THR1011          3HG2      THR1011   1.697  32.687  -4.337
  752    H    SER1012           H        SER1012   1.288  29.516  -4.168
  753    HA   SER1012           HA       SER1012   1.536  28.869  -6.320
  754   1HB   SER1012          HB1       SER1012   2.191  31.157  -6.889
  755   2HB   SER1012          HB2       SER1012   3.857  30.812  -6.428
  756    HG   SER1012           HG       SER1012   2.486  29.349  -8.431
  757    H    LEU1013           H        LEU1013   4.667  29.130  -4.634
  758    HA   LEU1013           HA       LEU1013   5.948  27.114  -6.130
  759   1HB   LEU1013          HB1       LEU1013   6.514  28.330  -3.446
  760   2HB   LEU1013          HB2       LEU1013   7.498  27.025  -4.077
  761    HG   LEU1013           HG       LEU1013   8.658  29.016  -4.578
  762   1HD1  LEU1013          1HD1      LEU1013   8.648  29.099  -7.035
  763   2HD1  LEU1013          2HD1      LEU1013   8.653  27.449  -6.411
  764   3HD1  LEU1013          3HD1      LEU1013   7.163  28.147  -7.042
  765   1HD2  LEU1013          1HD2      LEU1013   7.676  30.921  -5.741
  766   2HD2  LEU1013          2HD2      LEU1013   6.107  30.117  -5.746
  767   3HD2  LEU1013          3HD2      LEU1013   6.843  30.605  -4.217
  768    H    GLN1014           H        GLN1014   3.632  26.893  -3.619
  769    HA   GLN1014           HA       GLN1014   4.286  24.435  -2.452
  770   1HB   GLN1014          HB1       GLN1014   2.401  26.166  -1.902
  771   2HB   GLN1014          HB2       GLN1014   1.443  25.207  -3.018
  772   1HG   GLN1014          HG1       GLN1014   2.852  23.889  -0.742
  773   2HG   GLN1014          HG2       GLN1014   1.321  24.724  -0.489
  774   1HE2  GLN1014          2HE2      GLN1014   2.902  22.017  -1.975
  775   2HE2  GLN1014          1HE2      GLN1014   1.462  21.162  -2.396
  776    H    GLN1015           H        GLN1015   2.518  25.186  -5.427
  777    HA   GLN1015           HA       GLN1015   1.604  22.526  -5.877
  778   1HB   GLN1015          HB1       GLN1015   0.870  23.288  -8.030
  779   2HB   GLN1015          HB2       GLN1015   0.526  24.545  -6.854
  780   1HG   GLN1015          HG1       GLN1015   2.574  25.720  -7.572
  781   2HG   GLN1015          HG2       GLN1015   2.798  24.499  -8.820
  782   1HE2  GLN1015          2HE2      GLN1015  -0.336  25.682  -7.863
  783   2HE2  GLN1015          1HE2      GLN1015  -0.674  26.546  -9.327
  784    H    GLU1016           H        GLU1016   4.515  24.171  -6.513
  785    HA   GLU1016           HA       GLU1016   5.639  22.563  -8.527
  786   1HB   GLU1016          HB1       GLU1016   6.783  24.586  -7.744
  787   2HB   GLU1016          HB2       GLU1016   7.092  23.818  -6.191
  788   1HG   GLU1016          HG1       GLU1016   8.611  22.287  -7.120
  789   2HG   GLU1016          HG2       GLU1016   8.074  22.639  -8.760
  790    H    TYR1017           H        TYR1017   5.984  22.212  -5.002
  791    HA   TYR1017           HA       TYR1017   7.025  19.565  -5.249
  792   1HB   TYR1017          HB1       TYR1017   6.194  21.303  -2.953
  793   2HB   TYR1017          HB2       TYR1017   6.464  19.582  -2.696
  794    HD1  TYR1017           HD1      TYR1017   8.252  20.347  -1.069
  795    HD2  TYR1017           HD2      TYR1017   8.484  21.066  -5.269
  796    HE1  TYR1017           HE1      TYR1017  10.674  20.723  -0.881
  797    HE2  TYR1017           HE2      TYR1017  10.899  21.454  -5.079
  798    HH   TYR1017           HH       TYR1017  12.681  20.660  -2.273
  799    H    LYS1018           H        LYS1018   3.884  20.860  -5.352
  800    HA   LYS1018           HA       LYS1018   2.541  18.545  -4.296
  801   1HB   LYS1018          HB1       LYS1018   1.544  20.835  -4.241
  802   2HB   LYS1018          HB2       LYS1018   1.379  20.763  -5.990
  803   1HG   LYS1018          HG1       LYS1018  -0.136  18.885  -5.805
  804   2HG   LYS1018          HG2       LYS1018   0.077  18.858  -4.053
  805   1HD   LYS1018          HD1       LYS1018  -2.000  19.963  -4.584
  806   2HD   LYS1018          HD2       LYS1018  -0.857  21.149  -3.950
  807   1HE   LYS1018          HE1       LYS1018  -0.343  21.868  -6.233
  808   2HE   LYS1018          HE2       LYS1018  -1.481  20.679  -6.865
  809   1HZ   LYS1018          HZ1       LYS1018  -3.263  21.832  -5.674
  810   2HZ   LYS1018          HZ2       LYS1018  -2.154  22.994  -5.129
  811   3HZ   LYS1018          HZ3       LYS1018  -2.482  22.856  -6.784
  812    H    LYS1019           H        LYS1019   3.216  19.830  -7.552
  813    HA   LYS1019           HA       LYS1019   1.977  17.667  -8.931
  814   1HB   LYS1019          HB1       LYS1019   3.023  18.518 -10.911
  815   2HB   LYS1019          HB2       LYS1019   2.544  19.905  -9.944
  816   1HG   LYS1019          HG1       LYS1019   4.877  20.061  -9.109
  817   2HG   LYS1019          HG2       LYS1019   5.318  18.762 -10.216
  818   1HD   LYS1019          HD1       LYS1019   5.889  20.837 -11.255
  819   2HD   LYS1019          HD2       LYS1019   4.479  20.186 -12.091
  820   1HE   LYS1019          HE1       LYS1019   3.025  21.673 -10.831
  821   2HE   LYS1019          HE2       LYS1019   4.410  22.294  -9.937
  822   1HZ   LYS1019          HZ1       LYS1019   5.326  23.119 -12.026
  823   2HZ   LYS1019          HZ2       LYS1019   3.956  22.557 -12.860
  824   3HZ   LYS1019          HZ3       LYS1019   3.801  23.794 -11.710
  825    H    GLN1020           H        GLN1020   4.894  18.074  -7.261
  826    HA   GLN1020           HA       GLN1020   6.330  15.912  -8.514
  827   1HB   GLN1020          HB1       GLN1020   7.700  17.610  -7.621
  828   2HB   GLN1020          HB2       GLN1020   6.819  17.641  -6.100
  829   1HG   GLN1020          HG1       GLN1020   7.822  15.668  -5.350
  830   2HG   GLN1020          HG2       GLN1020   8.383  15.238  -6.965
  831   1HE2  GLN1020          2HE2      GLN1020   8.638  18.502  -5.889
  832   2HE2  GLN1020          1HE2      GLN1020  10.354  18.529  -5.697
  833    H    MET1021           H        MET1021   4.510  16.423  -5.504
  834    HA   MET1021           HA       MET1021   4.924  13.727  -4.639
  835   1HB   MET1021          HB1       MET1021   3.425  14.201  -2.816
  836   2HB   MET1021          HB2       MET1021   4.512  15.560  -3.023
  837   1HG   MET1021          HG1       MET1021   2.443  16.518  -2.583
  838   2HG   MET1021          HG2       MET1021   2.630  16.663  -4.327
  839   1HE   MET1021          HE1       MET1021   0.982  14.467  -1.463
  840   2HE   MET1021          HE2       MET1021   0.029  13.345  -2.434
  841   3HE   MET1021          HE3       MET1021   1.790  13.297  -2.510
  842    H    LEU1022           H        LEU1022   2.584  15.363  -6.616
  843    HA   LEU1022           HA       LEU1022   0.527  13.444  -6.537
  844   1HB   LEU1022          HB1       LEU1022   0.300  15.710  -7.499
  845   2HB   LEU1022          HB2       LEU1022   1.346  15.239  -8.824
  846    HG   LEU1022           HG       LEU1022  -0.331  13.555  -9.519
  847   1HD1  LEU1022          1HD1      LEU1022  -2.025  14.809  -7.360
  848   2HD1  LEU1022          2HD1      LEU1022  -2.577  13.639  -8.559
  849   3HD1  LEU1022          3HD1      LEU1022  -1.381  13.166  -7.351
  850   1HD2  LEU1022          1HD2      LEU1022  -0.316  15.748 -10.552
  851   2HD2  LEU1022          2HD2      LEU1022  -1.971  15.162 -10.384
  852   3HD2  LEU1022          3HD2      LEU1022  -1.349  16.380  -9.271
  853    H    THR1023           H        THR1023   3.344  13.783  -8.646
  854    HA   THR1023           HA       THR1023   2.855  11.496 -10.225
  855    HB   THR1023           HB       THR1023   5.511  12.802  -9.581
  856    HG1  THR1023           HG1      THR1023   4.448  14.411 -10.557
  857   1HG2  THR1023          1HG2      THR1023   4.668  11.129 -11.953
  858   2HG2  THR1023          2HG2      THR1023   6.248  11.877 -11.715
  859   3HG2  THR1023          3HG2      THR1023   5.714  10.584 -10.642
  860    H    ALA1024           H        ALA1024   4.310  11.964  -7.091
  861    HA   ALA1024           HA       ALA1024   5.492   9.329  -6.980
  862   1HB   ALA1024          HB1       ALA1024   5.077  11.350  -4.778
  863   2HB   ALA1024          HB2       ALA1024   6.060   9.889  -4.676
  864   3HB   ALA1024          HB3       ALA1024   6.527  11.190  -5.772
  865    H    ALA1025           H        ALA1025   2.587  10.943  -5.847
  866    HA   ALA1025           HA       ALA1025   1.567   8.847  -4.262
  867   1HB   ALA1025          HB1       ALA1025   0.705  11.136  -4.148
  868   2HB   ALA1025          HB2       ALA1025   0.051  10.972  -5.778
  869   3HB   ALA1025          HB3       ALA1025  -0.585   9.978  -4.468
  870    H    HIS1026           H        HIS1026   1.476   9.525  -7.687
  871    HA   HIS1026           HA       HIS1026  -0.351   7.491  -8.400
  872   1HB   HIS1026          HB1       HIS1026   0.297   9.367  -9.899
  873   2HB   HIS1026          HB2       HIS1026   1.910   8.682 -10.030
  874    HD1  HIS1026           HD1      HIS1026  -1.521   8.409 -11.383
  875    HD2  HIS1026           HD2      HIS1026   2.060   6.303 -11.602
  876    HE1  HIS1026           HE1      HIS1026  -1.769   6.846 -13.338
  877    HE2  HIS1026           HE2      HIS1026   0.482   5.738 -13.575
  878    H    ALA1027           H        ALA1027   3.088   7.570  -7.788
  879    HA   ALA1027           HA       ALA1027   3.610   4.921  -8.744
  880   1HB   ALA1027          HB1       ALA1027   5.266   6.675  -6.932
  881   2HB   ALA1027          HB2       ALA1027   5.815   5.220  -7.761
  882   3HB   ALA1027          HB3       ALA1027   5.351   6.642  -8.693
  883    H    LEU1028           H        LEU1028   3.033   6.379  -5.560
  884    HA   LEU1028           HA       LEU1028   3.475   3.923  -4.176
  885   1HB   LEU1028          HB1       LEU1028   3.677   5.324  -2.480
  886   2HB   LEU1028          HB2       LEU1028   3.033   6.649  -3.414
  887    HG   LEU1028           HG       LEU1028   1.277   4.683  -1.937
  888   1HD1  LEU1028          1HD1      LEU1028   1.137   6.341  -0.153
  889   2HD1  LEU1028          2HD1      LEU1028   2.780   5.726  -0.342
  890   3HD1  LEU1028          3HD1      LEU1028   2.357   7.320  -0.968
  891   1HD2  LEU1028          1HD2      LEU1028   0.785   7.501  -2.921
  892   2HD2  LEU1028          2HD2      LEU1028   0.150   6.028  -3.654
  893   3HD2  LEU1028          3HD2      LEU1028  -0.367   6.501  -2.034
  894    H    ALA1029           H        ALA1029   0.626   5.529  -5.468
  895    HA   ALA1029           HA       ALA1029  -1.344   3.794  -4.570
  896   1HB   ALA1029          HB1       ALA1029  -2.603   4.367  -6.574
  897   2HB   ALA1029          HB2       ALA1029  -1.797   5.796  -5.926
  898   3HB   ALA1029          HB3       ALA1029  -1.136   4.977  -7.341
  899    H    VAL1030           H        VAL1030   0.910   3.384  -7.285
  900    HA   VAL1030           HA       VAL1030   0.034   0.851  -8.077
  901    HB   VAL1030           HB       VAL1030   2.802   2.048  -8.285
  902   1HG1  VAL1030          1HG1      VAL1030   2.901  -0.358  -8.574
  903   2HG1  VAL1030          2HG1      VAL1030   1.585  -0.298  -9.744
  904   3HG1  VAL1030          3HG1      VAL1030   3.136   0.446 -10.125
  905   1HG2  VAL1030          1HG2      VAL1030   0.512   1.999 -10.247
  906   2HG2  VAL1030          2HG2      VAL1030   1.109   3.411  -9.375
  907   3HG2  VAL1030          3HG2      VAL1030   2.131   2.618 -10.574
  908    H    ASP1031           H        ASP1031   2.114   1.796  -5.392
  909    HA   ASP1031           HA       ASP1031   3.326  -0.805  -5.261
  910   1HB   ASP1031          HB1       ASP1031   4.560  -0.096  -3.381
  911   2HB   ASP1031          HB2       ASP1031   4.505   1.264  -4.485
  912    H    ALA1032           H        ALA1032   0.763   0.846  -3.464
  913    HA   ALA1032           HA       ALA1032   0.145  -1.206  -1.661
  914   1HB   ALA1032          HB1       ALA1032  -1.730   0.736  -3.015
  915   2HB   ALA1032          HB2       ALA1032  -2.056  -0.172  -1.537
  916   3HB   ALA1032          HB3       ALA1032  -0.792   1.060  -1.557
  917    H    LYS1033           H        LYS1033  -1.204  -0.524  -4.890
  918    HA   LYS1033           HA       LYS1033  -2.951  -2.777  -4.774
  919   1HB   LYS1033          HB1       LYS1033  -3.058  -0.532  -6.199
  920   2HB   LYS1033          HB2       LYS1033  -2.298  -1.561  -7.407
  921   1HG   LYS1033          HG1       LYS1033  -4.144  -3.159  -7.207
  922   2HG   LYS1033          HG2       LYS1033  -4.908  -2.116  -6.007
  923   1HD   LYS1033          HD1       LYS1033  -5.999  -1.619  -8.023
  924   2HD   LYS1033          HD2       LYS1033  -4.851  -0.299  -7.792
  925   1HE   LYS1033          HE1       LYS1033  -3.274  -1.462  -9.298
  926   2HE   LYS1033          HE2       LYS1033  -4.497  -2.699  -9.583
  927   1HZ   LYS1033          HZ1       LYS1033  -4.571   0.157 -10.364
  928   2HZ   LYS1033          HZ2       LYS1033  -4.663  -1.213 -11.363
  929   3HZ   LYS1033          HZ3       LYS1033  -5.964  -0.816 -10.355
  930    H    ASN1034           H        ASN1034   0.323  -2.353  -5.840
  931    HA   ASN1034           HA       ASN1034   0.376  -4.696  -7.480
  932   1HB   ASN1034          HB1       ASN1034   2.028  -2.830  -7.683
  933   2HB   ASN1034          HB2       ASN1034   2.724  -3.338  -6.147
  934   1HD2  ASN1034          2HD2      ASN1034   4.024  -5.137  -6.082
  935   2HD2  ASN1034          1HD2      ASN1034   4.535  -5.990  -7.494
  936    H    LEU1035           H        LEU1035   0.881  -4.021  -4.068
  937    HA   LEU1035           HA       LEU1035   1.831  -6.695  -3.505
  938   1HB   LEU1035          HB1       LEU1035   2.480  -4.885  -2.003
  939   2HB   LEU1035          HB2       LEU1035   0.785  -4.559  -1.632
  940    HG   LEU1035           HG       LEU1035   0.721  -7.004  -0.795
  941   1HD1  LEU1035          1HD1      LEU1035   3.687  -6.509  -0.781
  942   2HD1  LEU1035          2HD1      LEU1035   2.862  -7.862  -0.007
  943   3HD1  LEU1035          3HD1      LEU1035   2.831  -7.698  -1.763
  944   1HD2  LEU1035          1HD2      LEU1035   0.573  -5.055   0.672
  945   2HD2  LEU1035          2HD2      LEU1035   1.514  -6.355   1.406
  946   3HD2  LEU1035          3HD2      LEU1035   2.334  -4.955   0.713
  947    H    LEU1036           H        LEU1036  -1.231  -4.983  -3.488
  948    HA   LEU1036           HA       LEU1036  -2.918  -6.779  -2.336
  949   1HB   LEU1036          HB1       LEU1036  -4.158  -5.000  -2.912
  950   2HB   LEU1036          HB2       LEU1036  -3.165  -4.604  -4.288
  951    HG   LEU1036           HG       LEU1036  -5.576  -4.950  -4.776
  952   1HD1  LEU1036          1HD1      LEU1036  -3.999  -5.206  -6.584
  953   2HD1  LEU1036          2HD1      LEU1036  -3.756  -6.901  -6.159
  954   3HD1  LEU1036          3HD1      LEU1036  -5.326  -6.355  -6.750
  955   1HD2  LEU1036          1HD2      LEU1036  -5.020  -7.813  -4.071
  956   2HD2  LEU1036          2HD2      LEU1036  -6.062  -6.694  -3.191
  957   3HD2  LEU1036          3HD2      LEU1036  -6.492  -7.201  -4.826
  958    H    ASP1037           H        ASP1037  -1.618  -6.898  -5.609
  959    HA   ASP1037           HA       ASP1037  -2.906  -9.339  -6.295
  960   1HB   ASP1037          HB1       ASP1037  -2.000  -7.662  -7.940
  961   2HB   ASP1037          HB2       ASP1037  -0.378  -8.182  -7.492
  962    H    VAL1038           H        VAL1038   0.330  -8.482  -5.222
  963    HA   VAL1038           HA       VAL1038   1.636 -10.884  -5.069
  964    HB   VAL1038           HB       VAL1038   1.682  -8.535  -3.182
  965   1HG1  VAL1038          1HG1      VAL1038   3.714  -9.430  -2.217
  966   2HG1  VAL1038          2HG1      VAL1038   2.370 -10.540  -1.954
  967   3HG1  VAL1038          3HG1      VAL1038   3.567 -10.885  -3.203
  968   1HG2  VAL1038          1HG2      VAL1038   3.822  -8.086  -4.287
  969   2HG2  VAL1038          2HG2      VAL1038   3.571  -9.492  -5.323
  970   3HG2  VAL1038          3HG2      VAL1038   2.479  -8.112  -5.431
  971    H    ILE1039           H        ILE1039  -0.154  -9.489  -2.319
  972    HA   ILE1039           HA       ILE1039   0.079 -11.958  -0.852
  973    HB   ILE1039           HB       ILE1039  -1.389 -10.662   0.845
  974   1HG1  ILE1039          1HG1      ILE1039  -1.098  -8.204   0.690
  975   2HG1  ILE1039          2HG1      ILE1039  -0.452  -8.398  -0.934
  976   1HG2  ILE1039          1HG2      ILE1039   0.968 -11.170   1.110
  977   2HG2  ILE1039          2HG2      ILE1039   1.396  -9.768   0.130
  978   3HG2  ILE1039          3HG2      ILE1039   0.612  -9.544   1.692
  979   1HD1  ILE1039          1HD1      ILE1039  -2.779  -7.660  -0.914
  980   2HD1  ILE1039          2HD1      ILE1039  -2.579  -9.222  -1.709
  981   3HD1  ILE1039          3HD1      ILE1039  -3.234  -9.142  -0.072
  982    H    ASP1040           H        ASP1040  -2.580 -10.334  -2.568
  983    HA   ASP1040           HA       ASP1040  -4.671 -12.050  -2.023
  984   1HB   ASP1040          HB1       ASP1040  -5.025 -10.307  -3.611
  985   2HB   ASP1040          HB2       ASP1040  -3.685 -10.836  -4.611
  986    H    GLN1041           H        GLN1041  -2.009 -12.435  -4.248
  987    HA   GLN1041           HA       GLN1041  -2.511 -15.195  -4.765
  988   1HB   GLN1041          HB1       GLN1041  -0.171 -13.406  -5.351
  989   2HB   GLN1041          HB2       GLN1041  -0.159 -15.128  -5.716
  990   1HG   GLN1041          HG1       GLN1041  -2.021 -14.878  -7.211
  991   2HG   GLN1041          HG2       GLN1041  -2.207 -13.183  -6.758
  992   1HE2  GLN1041          2HE2      GLN1041   0.616 -12.651  -6.696
  993   2HE2  GLN1041          1HE2      GLN1041   1.153 -12.600  -8.337
  994    H    ALA1042           H        ALA1042  -0.419 -13.426  -2.475
  995    HA   ALA1042           HA       ALA1042   1.210 -15.397  -1.585
  996   1HB   ALA1042          HB1       ALA1042   1.252 -14.252   0.554
  997   2HB   ALA1042          HB2       ALA1042   1.243 -13.095  -0.779
  998   3HB   ALA1042          HB3       ALA1042  -0.234 -13.400   0.137
  999    H    ARG1043           H        ARG1043  -1.929 -14.662  -0.105
 1000    HA   ARG1043           HA       ARG1043  -2.157 -16.919   1.467
 1001   1HB   ARG1043          HB1       ARG1043  -3.766 -14.810   0.934
 1002   2HB   ARG1043          HB2       ARG1043  -4.647 -16.092   0.114
 1003   1HG   ARG1043          HG1       ARG1043  -5.449 -15.791   2.383
 1004   2HG   ARG1043          HG2       ARG1043  -4.713 -17.381   2.181
 1005   1HD   ARG1043          HD1       ARG1043  -2.771 -16.744   3.358
 1006   2HD   ARG1043          HD2       ARG1043  -3.182 -15.032   3.260
 1007    HE   ARG1043           HE       ARG1043  -5.246 -16.236   4.651
 1008   1HH1  ARG1043          2HH1      ARG1043  -1.782 -15.875   5.112
 1009   2HH1  ARG1043          1HH1      ARG1043  -1.904 -15.797   6.846
 1010   1HH2  ARG1043          2HH2      ARG1043  -5.389 -16.118   6.908
 1011   2HH2  ARG1043          1HH2      ARG1043  -3.945 -15.951   7.859
 1012    H    LEU1044           H        LEU1044  -2.835 -16.569  -1.991
 1013    HA   LEU1044           HA       LEU1044  -3.746 -19.270  -2.305
 1014   1HB   LEU1044          HB1       LEU1044  -4.368 -17.410  -3.818
 1015   2HB   LEU1044          HB2       LEU1044  -2.714 -17.338  -4.379
 1016    HG   LEU1044           HG       LEU1044  -4.158 -19.930  -4.664
 1017   1HD1  LEU1044          1HD1      LEU1044  -5.808 -18.297  -5.410
 1018   2HD1  LEU1044          2HD1      LEU1044  -4.604 -17.537  -6.451
 1019   3HD1  LEU1044          3HD1      LEU1044  -5.143 -19.183  -6.782
 1020   1HD2  LEU1044          1HD2      LEU1044  -1.800 -19.713  -5.325
 1021   2HD2  LEU1044          2HD2      LEU1044  -2.836 -20.047  -6.713
 1022   3HD2  LEU1044          3HD2      LEU1044  -2.236 -18.412  -6.434
 1023    H    LYS1045           H        LYS1045  -0.609 -17.730  -2.306
 1024    HA   LYS1045           HA       LYS1045   0.916 -19.761  -3.553
 1025   1HB   LYS1045          HB1       LYS1045   1.817 -17.963  -1.289
 1026   2HB   LYS1045          HB2       LYS1045   2.847 -18.800  -2.433
 1027   1HG   LYS1045          HG1       LYS1045   0.914 -16.650  -3.222
 1028   2HG   LYS1045          HG2       LYS1045   2.583 -16.338  -2.758
 1029   1HD   LYS1045          HD1       LYS1045   3.341 -17.786  -4.605
 1030   2HD   LYS1045          HD2       LYS1045   1.658 -18.026  -5.083
 1031   1HE   LYS1045          HE1       LYS1045   1.400 -15.649  -5.486
 1032   2HE   LYS1045          HE2       LYS1045   3.038 -15.350  -4.915
 1033   1HZ   LYS1045          HZ1       LYS1045   2.290 -16.904  -7.335
 1034   2HZ   LYS1045          HZ2       LYS1045   2.947 -15.336  -7.312
 1035   3HZ   LYS1045          HZ3       LYS1045   3.872 -16.648  -6.779
 1036    H    MET1046           H        MET1046  -0.306 -19.246  -0.334
 1037    HA   MET1046           HA       MET1046   1.063 -21.376   0.940
 1038   1HB   MET1046          HB1       MET1046  -0.164 -19.556   2.132
 1039   2HB   MET1046          HB2       MET1046  -1.675 -20.275   1.600
 1040   1HG   MET1046          HG1       MET1046   0.312 -21.856   3.173
 1041   2HG   MET1046          HG2       MET1046  -0.822 -20.769   3.973
 1042   1HE   MET1046          HE1       MET1046  -0.598 -23.895   4.582
 1043   2HE   MET1046          HE2       MET1046  -1.736 -22.826   5.403
 1044   3HE   MET1046          HE3       MET1046  -2.302 -24.334   4.685
 1045    H    ILE1047           H        ILE1047  -2.017 -21.146  -0.763
 1046    HA   ILE1047           HA       ILE1047  -2.714 -23.878  -0.620
 1047    HB   ILE1047           HB       ILE1047  -3.368 -21.895  -2.812
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.109 -21.080  -0.636
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.495 -21.584  -1.595
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.287 -23.351  -3.279
 1051   2HG2  ILE1047          2HG2      ILE1047  -3.753 -24.182  -3.530
 1052   3HG2  ILE1047          3HG2      ILE1047  -4.700 -24.499  -2.076
 1053   1HD1  ILE1047          1HD1      ILE1047  -5.611 -23.670  -0.343
 1054   2HD1  ILE1047          2HD1      ILE1047  -4.210 -23.180   0.609
 1055   3HD1  ILE1047          3HD1      ILE1047  -5.717 -22.270   0.725
 1056    H    SER1048           H        SER1048  -0.697 -22.021  -2.846
 1057    HA   SER1048           HA       SER1048  -0.161 -23.979  -4.763
 1058   1HB   SER1048          HB1       SER1048   0.487 -21.586  -4.982
 1059   2HB   SER1048          HB2       SER1048   1.721 -21.817  -3.740
 1060    HG   SER1048           HG       SER1048   2.121 -23.697  -5.536
 1061    H    GLN1049           H        GLN1049   1.294 -23.359  -1.625
 1062    HA   GLN1049           HA       GLN1049   3.357 -25.310  -1.865
 1063   1HB   GLN1049          HB1       GLN1049   3.492 -23.373  -0.339
 1064   2HB   GLN1049          HB2       GLN1049   2.156 -24.020   0.597
 1065   1HG   GLN1049          HG1       GLN1049   4.624 -25.652   0.225
 1066   2HG   GLN1049          HG2       GLN1049   4.609 -24.337   1.396
 1067   1HE2  GLN1049          2HE2      GLN1049   1.781 -24.715   2.042
 1068   2HE2  GLN1049          1HE2      GLN1049   1.707 -26.141   3.020
 1069    H    SER1050           H        SER1050   0.029 -25.354  -0.873
 1070    HA   SER1050           HA       SER1050   0.217 -27.947   0.392
 1071   1HB   SER1050          HB1       SER1050  -2.227 -26.285  -0.273
 1072   2HB   SER1050          HB2       SER1050  -2.184 -27.693   0.790
 1073    HG   SER1050           HG       SER1050  -1.101 -25.116   1.197
 1074    H    ARG1051           H        ARG1051  -0.773 -26.605  -2.677
 1075    HA   ARG1051           HA       ARG1051  -0.705 -29.218  -3.898
 1076   1HB   ARG1051          HB1       ARG1051  -3.022 -29.163  -3.128
 1077   2HB   ARG1051          HB2       ARG1051  -3.257 -27.590  -3.872
 1078   1HG   ARG1051          HG1       ARG1051  -4.271 -29.298  -5.230
 1079   2HG   ARG1051          HG2       ARG1051  -2.896 -28.598  -6.084
 1080   1HD   ARG1051          HD1       ARG1051  -1.513 -30.510  -5.392
 1081   2HD   ARG1051          HD2       ARG1051  -2.913 -31.212  -4.578
 1082    HE   ARG1051           HE       ARG1051  -3.537 -30.664  -7.283
 1083   1HH1  ARG1051          2HH1      ARG1051  -1.648 -32.878  -5.326
 1084   2HH1  ARG1051          1HH1      ARG1051  -1.779 -34.188  -6.453
 1085   1HH2  ARG1051          2HH2      ARG1051  -3.746 -32.407  -8.755
 1086   2HH2  ARG1051          1HH2      ARG1051  -2.958 -33.923  -8.409
 1087    HA   PRO1052           HA       PRO1052   0.823 -26.059  -6.731
 1088   1HB   PRO1052          HB1       PRO1052   2.804 -27.488  -7.789
 1089   2HB   PRO1052          HB2       PRO1052   2.898 -26.906  -6.121
 1090   1HG   PRO1052          HG1       PRO1052   2.257 -29.639  -7.145
 1091   2HG   PRO1052          HG2       PRO1052   3.210 -29.166  -5.728
 1092   1HD   PRO1052          HD1       PRO1052   0.533 -29.964  -5.704
 1093   2HD   PRO1052          HD2       PRO1052   1.367 -29.105  -4.395
 1094    H    HIS1053           H        HIS1053  -1.348 -28.210  -7.333
 1095    HA   HIS1053           HA       HIS1053  -1.347 -27.764 -10.180
 1096   1HB   HIS1053          HB1       HIS1053  -0.015 -29.823 -10.024
 1097   2HB   HIS1053          HB2       HIS1053  -1.301 -30.591  -9.100
 1098    HD1  HIS1053           HD1      HIS1053  -0.771 -29.078 -12.553
 1099    HD2  HIS1053           HD2      HIS1053  -3.093 -31.939 -10.621
 1100    HE1  HIS1053           HE1      HIS1053  -2.096 -30.216 -14.364
 1101    HE2  HIS1053           HE2      HIS1053  -3.629 -31.798 -13.143
  Start of MODEL   25
    1   1H    ARG 920           H        ARG 920  -7.074 -19.817  -0.174
    2    HA   ARG 920           HA       ARG 920  -6.502 -17.677  -0.478
    3   1HB   ARG 920          HB1       ARG 920  -6.084 -18.328  -2.730
    4   2HB   ARG 920          HB2       ARG 920  -7.788 -18.181  -3.148
    5   1HG   ARG 920          HG1       ARG 920  -7.681 -15.936  -3.364
    6   2HG   ARG 920          HG2       ARG 920  -6.465 -15.762  -2.096
    7   1HD   ARG 920          HD1       ARG 920  -4.733 -16.161  -3.491
    8   2HD   ARG 920          HD2       ARG 920  -5.670 -17.166  -4.584
    9    HE   ARG 920           HE       ARG 920  -5.742 -14.205  -4.475
   10   1HH1  ARG 920          2HH1      ARG 920  -6.337 -17.191  -6.229
   11   2HH1  ARG 920          1HH1      ARG 920  -6.454 -16.399  -7.773
   12   1HH2  ARG 920          2HH2      ARG 920  -5.864 -13.174  -6.496
   13   2HH2  ARG 920          1HH2      ARG 920  -6.147 -14.123  -7.934
   14    H    SER 921           H        SER 921  -9.508 -17.398  -2.352
   15    HA   SER 921           HA       SER 921 -11.300 -16.019  -2.162
   16   1HB   SER 921          HB1       SER 921 -10.771 -16.263   0.809
   17   2HB   SER 921          HB2       SER 921 -12.277 -15.723   0.065
   18    HG   SER 921           HG       SER 921 -11.888 -17.963  -1.086
   19    H    ASN 922           H        ASN 922  -8.439 -14.930  -2.038
   20    HA   ASN 922           HA       ASN 922  -7.229 -13.047  -1.551
   21   1HB   ASN 922          HB1       ASN 922  -9.393 -11.168  -1.984
   22   2HB   ASN 922          HB2       ASN 922  -7.889 -11.362  -2.870
   23   1HD2  ASN 922          2HD2      ASN 922  -7.755 -13.044  -4.420
   24   2HD2  ASN 922          1HD2      ASN 922  -9.170 -13.486  -5.335
   25    H    ASP 923           H        ASP 923  -7.886 -14.024   0.641
   26    HA   ASP 923           HA       ASP 923  -9.471 -12.912   2.540
   27   1HB   ASP 923          HB1       ASP 923  -8.100 -14.937   2.792
   28   2HB   ASP 923          HB2       ASP 923  -6.645 -13.957   2.845
   29    H    LYS 924           H        LYS 924  -8.265 -11.836   4.580
   30    HA   LYS 924           HA       LYS 924  -8.193  -9.172   4.453
   31   1HB   LYS 924          HB1       LYS 924  -7.488 -11.009   6.336
   32   2HB   LYS 924          HB2       LYS 924  -5.953 -10.203   6.063
   33   1HG   LYS 924          HG1       LYS 924  -8.528  -8.834   6.825
   34   2HG   LYS 924          HG2       LYS 924  -7.213  -9.236   7.930
   35   1HD   LYS 924          HD1       LYS 924  -5.712  -7.826   6.508
   36   2HD   LYS 924          HD2       LYS 924  -7.141  -7.315   5.609
   37   1HE   LYS 924          HE1       LYS 924  -6.695  -6.937   8.569
   38   2HE   LYS 924          HE2       LYS 924  -6.487  -5.695   7.336
   39   1HZ   LYS 924          HZ1       LYS 924  -8.627  -5.434   8.352
   40   2HZ   LYS 924          HZ2       LYS 924  -8.863  -5.987   6.765
   41   3HZ   LYS 924          HZ3       LYS 924  -9.028  -7.060   8.068
   42    H    VAL 925           H        VAL 925  -5.653 -11.196   3.204
   43    HA   VAL 925           HA       VAL 925  -3.605  -9.378   2.816
   44    HB   VAL 925           HB       VAL 925  -3.054 -10.805   0.771
   45   1HG1  VAL 925          1HG1      VAL 925  -2.030 -11.153   2.955
   46   2HG1  VAL 925          2HG1      VAL 925  -3.415 -12.114   3.472
   47   3HG1  VAL 925          3HG1      VAL 925  -2.365 -12.705   2.185
   48   1HG2  VAL 925          1HG2      VAL 925  -5.309 -11.595   0.284
   49   2HG2  VAL 925          2HG2      VAL 925  -4.242 -12.955   0.635
   50   3HG2  VAL 925          3HG2      VAL 925  -5.388 -12.393   1.854
   51    H    TYR 926           H        TYR 926  -6.416 -10.046   0.607
   52    HA   TYR 926           HA       TYR 926  -5.372  -8.076  -1.288
   53   1HB   TYR 926          HB1       TYR 926  -6.600  -9.891  -2.243
   54   2HB   TYR 926          HB2       TYR 926  -7.913  -9.725  -1.083
   55    HD1  TYR 926           HD1      TYR 926  -9.617  -8.025  -1.360
   56    HD2  TYR 926           HD2      TYR 926  -6.442  -8.433  -4.160
   57    HE1  TYR 926           HE1      TYR 926 -10.834  -6.587  -2.959
   58    HE2  TYR 926           HE2      TYR 926  -7.633  -6.997  -5.753
   59    HH   TYR 926           HH       TYR 926 -10.422  -5.187  -4.846
   60    H    GLU 927           H        GLU 927  -7.666  -8.403   1.260
   61    HA   GLU 927           HA       GLU 927  -9.251  -6.135   0.924
   62   1HB   GLU 927          HB1       GLU 927  -9.489  -8.201   2.449
   63   2HB   GLU 927          HB2       GLU 927  -8.488  -7.306   3.583
   64   1HG   GLU 927          HG1       GLU 927 -10.410  -5.488   2.873
   65   2HG   GLU 927          HG2       GLU 927 -11.276  -7.023   2.920
   66    H    ASN 928           H        ASN 928  -6.402  -6.626   3.005
   67    HA   ASN 928           HA       ASN 928  -6.488  -4.047   4.146
   68   1HB   ASN 928          HB1       ASN 928  -5.297  -6.173   4.986
   69   2HB   ASN 928          HB2       ASN 928  -3.979  -5.684   3.928
   70   1HD2  ASN 928          2HD2      ASN 928  -3.993  -5.948   6.782
   71   2HD2  ASN 928          1HD2      ASN 928  -3.567  -4.394   7.426
   72    H    VAL 929           H        VAL 929  -4.444  -5.384   1.521
   73    HA   VAL 929           HA       VAL 929  -3.073  -3.011   1.017
   74    HB   VAL 929           HB       VAL 929  -3.844  -4.958  -1.154
   75   1HG1  VAL 929          1HG1      VAL 929  -1.515  -3.079  -0.776
   76   2HG1  VAL 929          2HG1      VAL 929  -1.739  -4.183  -2.134
   77   3HG1  VAL 929          3HG1      VAL 929  -2.867  -2.851  -1.885
   78   1HG2  VAL 929          1HG2      VAL 929  -1.769  -6.129  -0.646
   79   2HG2  VAL 929          2HG2      VAL 929  -1.512  -5.081   0.750
   80   3HG2  VAL 929          3HG2      VAL 929  -2.887  -6.187   0.717
   81    H    THR 930           H        THR 930  -6.244  -4.065  -0.101
   82    HA   THR 930           HA       THR 930  -6.739  -1.921  -1.867
   83    HB   THR 930           HB       THR 930  -8.719  -3.400  -0.102
   84    HG1  THR 930           HG1      THR 930  -7.738  -4.868  -1.464
   85   1HG2  THR 930          1HG2      THR 930 -10.401  -2.701  -1.751
   86   2HG2  THR 930          2HG2      THR 930  -9.651  -1.309  -0.971
   87   3HG2  THR 930          3HG2      THR 930  -9.175  -1.767  -2.606
   88    H    GLY 931           H        GLY 931  -7.121  -2.358   1.597
   89   1HA   GLY 931          HA1       GLY 931  -8.123   0.135   2.331
   90   2HA   GLY 931          HA2       GLY 931  -7.104  -0.875   3.343
   91    H    LEU 932           H        LEU 932  -4.766  -0.755   1.531
   92    HA   LEU 932           HA       LEU 932  -3.652   1.705   2.421
   93   1HB   LEU 932          HB1       LEU 932  -2.172  -0.112   2.208
   94   2HB   LEU 932          HB2       LEU 932  -2.742  -0.493   0.591
   95    HG   LEU 932           HG       LEU 932  -1.506   1.341  -0.350
   96   1HD1  LEU 932          1HD1      LEU 932  -0.115   2.823   0.993
   97   2HD1  LEU 932          2HD1      LEU 932  -1.821   2.998   1.411
   98   3HD1  LEU 932          3HD1      LEU 932  -0.742   2.085   2.468
   99   1HD2  LEU 932          1HD2      LEU 932   0.767   0.679   0.221
  100   2HD2  LEU 932          2HD2      LEU 932   0.173  -0.127   1.673
  101   3HD2  LEU 932          3HD2      LEU 932  -0.289  -0.726   0.079
  102    H    VAL 933           H        VAL 933  -5.041   0.591  -0.619
  103    HA   VAL 933           HA       VAL 933  -4.616   3.022  -2.043
  104    HB   VAL 933           HB       VAL 933  -6.810   0.983  -2.467
  105   1HG1  VAL 933          1HG1      VAL 933  -5.623   3.010  -4.359
  106   2HG1  VAL 933          2HG1      VAL 933  -6.859   1.818  -4.760
  107   3HG1  VAL 933          3HG1      VAL 933  -7.216   3.106  -3.609
  108   1HG2  VAL 933          1HG2      VAL 933  -5.315   0.000  -4.157
  109   2HG2  VAL 933          2HG2      VAL 933  -4.039   1.109  -3.650
  110   3HG2  VAL 933          3HG2      VAL 933  -4.649  -0.107  -2.527
  111    H    LYS 934           H        LYS 934  -7.234   1.785  -0.025
  112    HA   LYS 934           HA       LYS 934  -9.020   3.920  -0.330
  113   1HB   LYS 934          HB1       LYS 934  -8.661   2.214   2.140
  114   2HB   LYS 934          HB2       LYS 934 -10.086   3.145   1.714
  115   1HG   LYS 934          HG1       LYS 934  -9.034   0.712   0.282
  116   2HG   LYS 934          HG2       LYS 934 -10.458   0.792   1.315
  117   1HD   LYS 934          HD1       LYS 934 -11.447   0.937  -0.741
  118   2HD   LYS 934          HD2       LYS 934 -11.186   2.650  -0.411
  119   1HE   LYS 934          HE1       LYS 934  -9.146   2.611  -1.740
  120   2HE   LYS 934          HE2       LYS 934  -9.348   0.882  -2.027
  121   1HZ   LYS 934          HZ1       LYS 934 -11.258   2.994  -2.898
  122   2HZ   LYS 934          HZ2       LYS 934 -10.119   2.234  -3.903
  123   3HZ   LYS 934          HZ3       LYS 934 -11.384   1.333  -3.221
  124    H    ALA 935           H        ALA 935  -6.117   3.580   1.514
  125    HA   ALA 935           HA       ALA 935  -6.618   5.767   3.281
  126   1HB   ALA 935          HB1       ALA 935  -4.292   5.546   3.916
  127   2HB   ALA 935          HB2       ALA 935  -5.085   3.971   3.868
  128   3HB   ALA 935          HB3       ALA 935  -4.012   4.459   2.557
  129    H    VAL 936           H        VAL 936  -5.112   5.434   0.099
  130    HA   VAL 936           HA       VAL 936  -4.328   8.198   0.146
  131    HB   VAL 936           HB       VAL 936  -3.074   6.565  -1.224
  132   1HG1  VAL 936          1HG1      VAL 936  -3.947   5.897  -3.419
  133   2HG1  VAL 936          2HG1      VAL 936  -4.912   5.237  -2.099
  134   3HG1  VAL 936          3HG1      VAL 936  -5.503   6.624  -3.014
  135   1HG2  VAL 936          1HG2      VAL 936  -4.263   8.882  -2.743
  136   2HG2  VAL 936          2HG2      VAL 936  -2.865   8.932  -1.670
  137   3HG2  VAL 936          3HG2      VAL 936  -2.785   8.024  -3.181
  138    H    ILE 937           H        ILE 937  -7.160   6.442  -0.428
  139    HA   ILE 937           HA       ILE 937  -8.624   8.542  -1.680
  140    HB   ILE 937           HB       ILE 937  -9.597   6.270   0.061
  141   1HG1  ILE 937          1HG1      ILE 937  -8.536   5.491  -1.993
  142   2HG1  ILE 937          2HG1      ILE 937 -10.277   5.241  -2.079
  143   1HG2  ILE 937          1HG2      ILE 937 -11.195   8.099   0.064
  144   2HG2  ILE 937          2HG2      ILE 937 -11.174   8.141  -1.699
  145   3HG2  ILE 937          3HG2      ILE 937 -11.817   6.731  -0.858
  146   1HD1  ILE 937          1HD1      ILE 937  -9.412   6.044  -4.190
  147   2HD1  ILE 937          2HD1      ILE 937 -10.484   7.245  -3.470
  148   3HD1  ILE 937          3HD1      ILE 937  -8.735   7.466  -3.395
  149    H    GLU 938           H        GLU 938  -8.170   7.453   1.678
  150    HA   GLU 938           HA       GLU 938  -9.320   9.522   3.080
  151   1HB   GLU 938          HB1       GLU 938  -6.629   8.265   3.693
  152   2HB   GLU 938          HB2       GLU 938  -7.622   9.169   4.829
  153   1HG   GLU 938          HG1       GLU 938  -8.280   6.522   3.561
  154   2HG   GLU 938          HG2       GLU 938  -7.888   6.828   5.253
  155    H    MET 939           H        MET 939  -6.185   9.465   1.479
  156    HA   MET 939           HA       MET 939  -5.268  11.999   2.288
  157   1HB   MET 939          HB1       MET 939  -3.659  10.614   1.253
  158   2HB   MET 939          HB2       MET 939  -4.693  10.302  -0.135
  159   1HG   MET 939          HG1       MET 939  -4.429  12.628  -0.847
  160   2HG   MET 939          HG2       MET 939  -3.383  12.931   0.534
  161   1HE   MET 939          HE1       MET 939  -1.903  13.964  -1.620
  162   2HE   MET 939          HE2       MET 939  -1.245  12.925  -2.884
  163   3HE   MET 939          HE3       MET 939  -2.983  13.226  -2.806
  164    H    SER 940           H        SER 940  -7.319  10.978  -0.392
  165    HA   SER 940           HA       SER 940  -7.499  13.501  -1.656
  166   1HB   SER 940          HB1       SER 940  -9.505  11.239  -1.717
  167   2HB   SER 940          HB2       SER 940  -9.368  12.551  -2.886
  168    HG   SER 940           HG       SER 940  -7.110  10.967  -2.408
  169    H    SER 941           H        SER 941  -9.310  12.002   0.975
  170    HA   SER 941           HA       SER 941 -11.430  13.968   0.857
  171   1HB   SER 941          HB1       SER 941 -10.798  11.948   3.032
  172   2HB   SER 941          HB2       SER 941 -12.318  12.817   2.812
  173    HG   SER 941           HG       SER 941 -11.204  10.755   1.235
  174    H    LYS 942           H        LYS 942  -8.612  13.197   2.711
  175    HA   LYS 942           HA       LYS 942  -8.802  15.126   4.721
  176   1HB   LYS 942          HB1       LYS 942  -6.928  13.155   3.781
  177   2HB   LYS 942          HB2       LYS 942  -6.084  14.641   4.202
  178   1HG   LYS 942          HG1       LYS 942  -8.047  13.291   6.027
  179   2HG   LYS 942          HG2       LYS 942  -6.310  12.968   6.044
  180   1HD   LYS 942          HD1       LYS 942  -5.797  15.174   6.645
  181   2HD   LYS 942          HD2       LYS 942  -7.427  15.738   6.256
  182   1HE   LYS 942          HE1       LYS 942  -6.949  15.532   8.710
  183   2HE   LYS 942          HE2       LYS 942  -8.345  14.614   8.152
  184   1HZ   LYS 942          HZ1       LYS 942  -6.976  13.340   9.684
  185   2HZ   LYS 942          HZ2       LYS 942  -7.001  12.615   8.157
  186   3HZ   LYS 942          HZ3       LYS 942  -5.638  13.487   8.659
  187    H    ILE 943           H        ILE 943  -7.334  15.227   1.495
  188    HA   ILE 943           HA       ILE 943  -6.118  17.768   1.941
  189    HB   ILE 943           HB       ILE 943  -5.259  16.125   0.270
  190   1HG1  ILE 943          1HG1      ILE 943  -4.666  17.785  -1.430
  191   2HG1  ILE 943          2HG1      ILE 943  -5.963  18.836  -0.870
  192   1HG2  ILE 943          1HG2      ILE 943  -7.348  15.386  -0.701
  193   2HG2  ILE 943          2HG2      ILE 943  -7.646  17.001  -1.344
  194   3HG2  ILE 943          3HG2      ILE 943  -6.295  16.045  -1.952
  195   1HD1  ILE 943          1HD1      ILE 943  -4.840  19.056   1.290
  196   2HD1  ILE 943          2HD1      ILE 943  -3.537  18.019   0.709
  197   3HD1  ILE 943          3HD1      ILE 943  -3.818  19.588  -0.045
  198    H    GLN 944           H        GLN 944  -9.267  16.743   0.924
  199    HA   GLN 944           HA       GLN 944 -10.151  18.945  -0.492
  200   1HB   GLN 944          HB1       GLN 944 -11.654  17.156   1.412
  201   2HB   GLN 944          HB2       GLN 944 -12.438  18.391   0.433
  202   1HG   GLN 944          HG1       GLN 944 -11.726  17.316  -1.591
  203   2HG   GLN 944          HG2       GLN 944 -10.768  16.152  -0.680
  204   1HE2  GLN 944          2HE2      GLN 944 -11.843  14.407  -1.537
  205   2HE2  GLN 944          1HE2      GLN 944 -13.466  13.999  -1.099
  206    HA   PRO 945           HA       PRO 945 -10.776  21.529   3.351
  207   1HB   PRO 945          HB1       PRO 945 -11.087  20.539   5.791
  208   2HB   PRO 945          HB2       PRO 945 -12.355  20.344   4.574
  209   1HG   PRO 945          HG1       PRO 945 -10.433  18.349   5.637
  210   2HG   PRO 945          HG2       PRO 945 -12.068  18.109   5.001
  211   1HD   PRO 945          HD1       PRO 945  -9.576  17.770   3.628
  212   2HD   PRO 945          HD2       PRO 945 -11.214  17.571   2.978
  213    H    ALA 946           H        ALA 946  -8.091  20.025   2.793
  214    HA   ALA 946           HA       ALA 946  -6.679  20.364   5.303
  215   1HB   ALA 946          HB1       ALA 946  -4.809  19.315   4.211
  216   2HB   ALA 946          HB2       ALA 946  -6.279  18.387   3.911
  217   3HB   ALA 946          HB3       ALA 946  -5.620  19.428   2.650
  218    HA   PRO 947           HA       PRO 947  -4.347  23.996   3.965
  219   1HB   PRO 947          HB1       PRO 947  -3.447  24.185   6.680
  220   2HB   PRO 947          HB2       PRO 947  -4.586  25.253   5.859
  221   1HG   PRO 947          HG1       PRO 947  -5.229  23.574   7.959
  222   2HG   PRO 947          HG2       PRO 947  -6.390  24.231   6.794
  223   1HD   PRO 947          HD1       PRO 947  -5.102  21.533   6.877
  224   2HD   PRO 947          HD2       PRO 947  -6.768  21.977   6.440
  225    HA   PRO 948           HA       PRO 948  -0.284  22.071   3.788
  226   1HB   PRO 948          HB1       PRO 948   1.275  23.589   5.573
  227   2HB   PRO 948          HB2       PRO 948   1.103  23.862   3.839
  228   1HG   PRO 948          HG1       PRO 948  -0.272  25.195   6.112
  229   2HG   PRO 948          HG2       PRO 948   0.214  25.860   4.543
  230   1HD   PRO 948          HD1       PRO 948  -2.346  25.290   5.086
  231   2HD   PRO 948          HD2       PRO 948  -1.666  25.023   3.466
  232    H    GLU 949           H        GLU 949  -1.331  22.985   6.989
  233    HA   GLU 949           HA       GLU 949   0.135  21.259   8.564
  234   1HB   GLU 949          HB1       GLU 949  -2.727  22.124   8.962
  235   2HB   GLU 949          HB2       GLU 949  -1.643  21.524  10.212
  236   1HG   GLU 949          HG1       GLU 949  -1.429  24.100   8.678
  237   2HG   GLU 949          HG2       GLU 949  -1.750  23.895  10.399
  238    H    GLU 950           H        GLU 950  -2.834  20.630   6.716
  239    HA   GLU 950           HA       GLU 950  -2.813  17.871   7.685
  240   1HB   GLU 950          HB1       GLU 950  -4.874  19.545   6.356
  241   2HB   GLU 950          HB2       GLU 950  -4.910  17.808   6.073
  242   1HG   GLU 950          HG1       GLU 950  -6.381  18.312   7.879
  243   2HG   GLU 950          HG2       GLU 950  -4.983  17.452   8.516
  244    H    TYR 951           H        TYR 951  -1.524  19.597   5.102
  245    HA   TYR 951           HA       TYR 951  -1.707  17.752   3.004
  246   1HB   TYR 951          HB1       TYR 951   0.315  19.807   3.787
  247   2HB   TYR 951          HB2       TYR 951   0.794  18.603   2.597
  248    HD1  TYR 951           HD1      TYR 951  -1.879  21.103   3.290
  249    HD2  TYR 951           HD2      TYR 951   0.303  18.934   0.365
  250    HE1  TYR 951           HE1      TYR 951  -2.963  22.420   1.528
  251    HE2  TYR 951           HE2      TYR 951  -0.774  20.244  -1.418
  252    HH   TYR 951           HH       TYR 951  -2.689  23.067  -0.717
  253    H    VAL 952           H        VAL 952   0.460  17.913   5.782
  254    HA   VAL 952           HA       VAL 952   1.802  15.507   5.044
  255    HB   VAL 952           HB       VAL 952   3.263  16.599   6.338
  256   1HG1  VAL 952          1HG1      VAL 952   2.704  17.970   8.338
  257   2HG1  VAL 952          2HG1      VAL 952   1.959  18.532   6.842
  258   3HG1  VAL 952          3HG1      VAL 952   0.999  17.646   8.029
  259   1HG2  VAL 952          1HG2      VAL 952   3.025  14.469   7.456
  260   2HG2  VAL 952          2HG2      VAL 952   3.389  15.728   8.637
  261   3HG2  VAL 952          3HG2      VAL 952   1.742  15.115   8.481
  262    HA   PRO 953           HA       PRO 953  -1.160  13.431   8.503
  263   1HB   PRO 953          HB1       PRO 953  -3.416  15.261   7.826
  264   2HB   PRO 953          HB2       PRO 953  -3.101  14.372   9.327
  265   1HG   PRO 953          HG1       PRO 953  -2.534  16.942   9.198
  266   2HG   PRO 953          HG2       PRO 953  -1.394  15.822   9.971
  267   1HD   PRO 953          HD1       PRO 953  -1.249  17.128   7.291
  268   2HD   PRO 953          HD2       PRO 953   0.052  16.754   8.437
  269    H    MET 954           H        MET 954  -2.545  14.907   5.506
  270    HA   MET 954           HA       MET 954  -4.275  12.750   4.977
  271   1HB   MET 954          HB1       MET 954  -4.411  13.543   2.676
  272   2HB   MET 954          HB2       MET 954  -4.501  14.893   3.795
  273   1HG   MET 954          HG1       MET 954  -2.361  15.636   3.254
  274   2HG   MET 954          HG2       MET 954  -1.921  14.103   2.506
  275   1HE   MET 954          HE1       MET 954  -1.823  16.632  -0.482
  276   2HE   MET 954          HE2       MET 954  -1.389  16.970   1.194
  277   3HE   MET 954          HE3       MET 954  -0.914  15.441   0.450
  278    H    VAL 955           H        VAL 955  -1.049  13.412   3.582
  279    HA   VAL 955           HA       VAL 955  -0.783  10.873   2.468
  280    HB   VAL 955           HB       VAL 955   1.632  12.282   3.576
  281   1HG1  VAL 955          1HG1      VAL 955   2.678  11.351   1.601
  282   2HG1  VAL 955          2HG1      VAL 955   1.873  10.082   2.525
  283   3HG1  VAL 955          3HG1      VAL 955   1.128  10.711   1.055
  284   1HG2  VAL 955          1HG2      VAL 955   0.314  14.024   2.500
  285   2HG2  VAL 955          2HG2      VAL 955   1.722  13.611   1.516
  286   3HG2  VAL 955          3HG2      VAL 955   0.124  13.010   1.067
  287    H    LYS 956           H        LYS 956  -0.496  11.875   5.771
  288    HA   LYS 956           HA       LYS 956   0.997   9.646   6.720
  289   1HB   LYS 956          HB1       LYS 956   0.564  11.772   7.994
  290   2HB   LYS 956          HB2       LYS 956  -1.091  11.229   8.225
  291   1HG   LYS 956          HG1       LYS 956  -0.325   9.318   9.498
  292   2HG   LYS 956          HG2       LYS 956   1.356   9.770   9.204
  293   1HD   LYS 956          HD1       LYS 956  -0.675  11.430  10.699
  294   2HD   LYS 956          HD2       LYS 956   0.600  10.461  11.438
  295   1HE   LYS 956          HE1       LYS 956   2.289  11.831  10.310
  296   2HE   LYS 956          HE2       LYS 956   1.013  12.790   9.563
  297   1HZ   LYS 956          HZ1       LYS 956   1.514  12.570  12.486
  298   2HZ   LYS 956          HZ2       LYS 956   1.946  13.888  11.508
  299   3HZ   LYS 956          HZ3       LYS 956   0.311  13.517  11.752
  300    H    GLU 957           H        GLU 957  -2.361  10.247   6.061
  301    HA   GLU 957           HA       GLU 957  -3.559   7.967   7.079
  302   1HB   GLU 957          HB1       GLU 957  -4.249   9.266   4.429
  303   2HB   GLU 957          HB2       GLU 957  -5.311   8.268   5.411
  304   1HG   GLU 957          HG1       GLU 957  -4.156  10.865   6.379
  305   2HG   GLU 957          HG2       GLU 957  -5.681  10.760   5.504
  306    H    VAL 958           H        VAL 958  -2.019   8.363   3.835
  307    HA   VAL 958           HA       VAL 958  -2.372   5.623   3.146
  308    HB   VAL 958           HB       VAL 958  -1.002   5.942   1.246
  309   1HG1  VAL 958          1HG1      VAL 958  -3.062   7.216   1.168
  310   2HG1  VAL 958          2HG1      VAL 958  -2.264   8.599   1.916
  311   3HG1  VAL 958          3HG1      VAL 958  -1.779   8.066   0.307
  312   1HG2  VAL 958          1HG2      VAL 958   0.184   8.370   2.588
  313   2HG2  VAL 958          2HG2      VAL 958   0.988   6.821   2.335
  314   3HG2  VAL 958          3HG2      VAL 958   0.534   7.816   0.951
  315    H    GLY 959           H        GLY 959   0.050   7.213   5.099
  316   1HA   GLY 959          HA1       GLY 959   1.995   5.103   4.869
  317   2HA   GLY 959          HA2       GLY 959   2.004   6.400   6.060
  318    H    LEU 960           H        LEU 960  -0.308   6.029   7.434
  319    HA   LEU 960           HA       LEU 960   0.034   3.805   9.077
  320   1HB   LEU 960          HB1       LEU 960  -2.514   5.320   8.498
  321   2HB   LEU 960          HB2       LEU 960  -2.285   4.221   9.844
  322    HG   LEU 960           HG       LEU 960  -0.778   6.802   9.411
  323   1HD1  LEU 960          1HD1      LEU 960  -3.104   7.182  10.017
  324   2HD1  LEU 960          2HD1      LEU 960  -2.939   6.082  11.388
  325   3HD1  LEU 960          3HD1      LEU 960  -2.032   7.595  11.356
  326   1HD2  LEU 960          1HD2      LEU 960   0.108   6.411  11.656
  327   2HD2  LEU 960          2HD2      LEU 960  -0.717   4.854  11.714
  328   3HD2  LEU 960          3HD2      LEU 960   0.580   5.122  10.549
  329    H    ALA 961           H        ALA 961  -1.557   4.109   6.057
  330    HA   ALA 961           HA       ALA 961  -2.996   1.696   6.049
  331   1HB   ALA 961          HB1       ALA 961  -2.956   1.849   3.625
  332   2HB   ALA 961          HB2       ALA 961  -3.338   3.402   4.371
  333   3HB   ALA 961          HB3       ALA 961  -1.724   3.106   3.725
  334    H    LEU 962           H        LEU 962   0.317   2.316   4.663
  335    HA   LEU 962           HA       LEU 962   0.994  -0.323   4.220
  336   1HB   LEU 962          HB1       LEU 962   2.512   1.271   3.464
  337   2HB   LEU 962          HB2       LEU 962   2.611   2.065   5.031
  338    HG   LEU 962           HG       LEU 962   3.836   0.068   5.906
  339   1HD1  LEU 962          1HD1      LEU 962   4.772  -1.520   4.306
  340   2HD1  LEU 962          2HD1      LEU 962   3.009  -1.584   4.324
  341   3HD1  LEU 962          3HD1      LEU 962   3.848  -0.761   3.008
  342   1HD2  LEU 962          1HD2      LEU 962   5.074   1.426   3.515
  343   2HD2  LEU 962          2HD2      LEU 962   5.031   2.058   5.161
  344   3HD2  LEU 962          3HD2      LEU 962   5.949   0.595   4.803
  345    H    ARG 963           H        ARG 963   1.327   1.499   7.271
  346    HA   ARG 963           HA       ARG 963   2.429  -0.506   8.832
  347   1HB   ARG 963          HB1       ARG 963   0.441   1.631   9.610
  348   2HB   ARG 963          HB2       ARG 963   1.314   0.637  10.766
  349   1HG   ARG 963          HG1       ARG 963   2.546   2.545   8.786
  350   2HG   ARG 963          HG2       ARG 963   2.349   2.819  10.518
  351   1HD   ARG 963          HD1       ARG 963   4.019   0.661   9.229
  352   2HD   ARG 963          HD2       ARG 963   4.626   2.125   9.998
  353    HE   ARG 963           HE       ARG 963   3.122   0.869  11.927
  354   1HH1  ARG 963          2HH1      ARG 963   5.924   0.051   9.972
  355   2HH1  ARG 963          1HH1      ARG 963   6.579  -1.047  11.147
  356   1HH2  ARG 963          2HH2      ARG 963   3.996  -0.578  13.479
  357   2HH2  ARG 963          1HH2      ARG 963   5.480  -1.423  13.126
  358    H    THR 964           H        THR 964  -1.032   0.277   8.582
  359    HA   THR 964           HA       THR 964  -2.070  -1.935   9.870
  360    HB   THR 964           HB       THR 964  -3.265  -0.639   7.412
  361    HG1  THR 964           HG1      THR 964  -2.934   0.990   8.866
  362   1HG2  THR 964          1HG2      THR 964  -4.389  -2.717   8.075
  363   2HG2  THR 964          2HG2      THR 964  -4.560  -2.101   9.719
  364   3HG2  THR 964          3HG2      THR 964  -5.412  -1.315   8.390
  365    H    LEU 965           H        LEU 965  -1.097  -1.635   6.498
  366    HA   LEU 965           HA       LEU 965  -1.896  -4.184   5.618
  367   1HB   LEU 965          HB1       LEU 965  -1.355  -2.448   4.040
  368   2HB   LEU 965          HB2       LEU 965   0.283  -2.335   4.656
  369    HG   LEU 965           HG       LEU 965   0.809  -4.532   3.772
  370   1HD1  LEU 965          1HD1      LEU 965  -1.374  -5.570   4.073
  371   2HD1  LEU 965          2HD1      LEU 965  -2.039  -4.562   2.786
  372   3HD1  LEU 965          3HD1      LEU 965  -0.801  -5.764   2.416
  373   1HD2  LEU 965          1HD2      LEU 965   0.644  -4.030   1.389
  374   2HD2  LEU 965          2HD2      LEU 965  -0.552  -2.778   1.731
  375   3HD2  LEU 965          3HD2      LEU 965   1.103  -2.600   2.314
  376    H    LEU 966           H        LEU 966   1.028  -3.008   7.104
  377    HA   LEU 966           HA       LEU 966   2.712  -5.197   6.856
  378   1HB   LEU 966          HB1       LEU 966   3.402  -3.068   7.850
  379   2HB   LEU 966          HB2       LEU 966   2.422  -3.402   9.264
  380    HG   LEU 966           HG       LEU 966   3.849  -5.375   9.747
  381   1HD1  LEU 966          1HD1      LEU 966   4.642  -5.829   7.490
  382   2HD1  LEU 966          2HD1      LEU 966   5.533  -4.306   7.485
  383   3HD1  LEU 966          3HD1      LEU 966   5.995  -5.594   8.597
  384   1HD2  LEU 966          1HD2      LEU 966   5.761  -4.105  10.558
  385   2HD2  LEU 966          2HD2      LEU 966   5.324  -2.758   9.505
  386   3HD2  LEU 966          3HD2      LEU 966   4.255  -3.226  10.829
  387    H    ALA 967           H        ALA 967   0.071  -4.729   9.172
  388    HA   ALA 967           HA       ALA 967   0.487  -7.074  10.679
  389   1HB   ALA 967          HB1       ALA 967  -1.062  -5.303  11.366
  390   2HB   ALA 967          HB2       ALA 967  -2.132  -5.724  10.026
  391   3HB   ALA 967          HB3       ALA 967  -1.854  -6.879  11.331
  392    H    THR 968           H        THR 968  -1.441  -6.493   7.761
  393    HA   THR 968           HA       THR 968  -2.201  -9.214   7.388
  394    HB   THR 968           HB       THR 968  -2.087  -6.854   5.536
  395    HG1  THR 968           HG1      THR 968  -4.410  -8.263   5.916
  396   1HG2  THR 968          1HG2      THR 968  -3.022  -9.633   4.833
  397   2HG2  THR 968          2HG2      THR 968  -3.169  -8.195   3.823
  398   3HG2  THR 968          3HG2      THR 968  -1.575  -8.851   4.198
  399    H    VAL 969           H        VAL 969   0.566  -7.336   6.303
  400    HA   VAL 969           HA       VAL 969   1.852  -9.200   4.706
  401    HB   VAL 969           HB       VAL 969   3.088  -7.260   6.669
  402   1HG1  VAL 969          1HG1      VAL 969   5.167  -7.515   5.402
  403   2HG1  VAL 969          2HG1      VAL 969   4.686  -9.026   6.173
  404   3HG1  VAL 969          3HG1      VAL 969   4.424  -8.796   4.444
  405   1HG2  VAL 969          1HG2      VAL 969   1.761  -6.213   4.918
  406   2HG2  VAL 969          2HG2      VAL 969   3.479  -5.892   4.679
  407   3HG2  VAL 969          3HG2      VAL 969   2.661  -7.102   3.690
  408    H    ASP 970           H        ASP 970   1.523  -9.126   8.190
  409    HA   ASP 970           HA       ASP 970   3.347 -11.293   8.669
  410   1HB   ASP 970          HB1       ASP 970   3.006  -9.692  10.437
  411   2HB   ASP 970          HB2       ASP 970   1.267  -9.933  10.390
  412    H    GLU 971           H        GLU 971   0.007 -11.036   7.894
  413    HA   GLU 971           HA       GLU 971  -0.703 -13.756   8.446
  414   1HB   GLU 971          HB1       GLU 971  -1.802 -12.037   6.209
  415   2HB   GLU 971          HB2       GLU 971  -2.589 -13.403   6.987
  416   1HG   GLU 971          HG1       GLU 971  -1.910 -10.827   8.377
  417   2HG   GLU 971          HG2       GLU 971  -3.479 -11.180   7.644
  418    H    SER 972           H        SER 972   0.318 -12.043   5.563
  419    HA   SER 972           HA       SER 972   0.650 -14.281   3.896
  420   1HB   SER 972          HB1       SER 972   0.363 -12.078   2.965
  421   2HB   SER 972          HB2       SER 972   1.837 -11.507   3.760
  422    HG   SER 972           HG       SER 972   2.638 -13.542   2.429
  423    H    LEU 973           H        LEU 973   2.643 -12.927   6.372
  424    HA   LEU 973           HA       LEU 973   5.173 -13.689   5.435
  425   1HB   LEU 973          HB1       LEU 973   4.757 -12.089   7.274
  426   2HB   LEU 973          HB2       LEU 973   4.258 -13.416   8.304
  427    HG   LEU 973           HG       LEU 973   6.528 -14.369   8.159
  428   1HD1  LEU 973          1HD1      LEU 973   7.116 -11.874   6.577
  429   2HD1  LEU 973          2HD1      LEU 973   8.330 -12.989   7.204
  430   3HD1  LEU 973          3HD1      LEU 973   7.175 -13.534   5.986
  431   1HD2  LEU 973          1HD2      LEU 973   7.627 -12.680   9.534
  432   2HD2  LEU 973          2HD2      LEU 973   6.438 -11.482   9.026
  433   3HD2  LEU 973          3HD2      LEU 973   5.935 -12.870   9.991
  434    HA   PRO 974           HA       PRO 974   4.672 -17.953   7.723
  435   1HB   PRO 974          HB1       PRO 974   1.712 -18.183   7.727
  436   2HB   PRO 974          HB2       PRO 974   2.884 -18.746   8.925
  437   1HG   PRO 974          HG1       PRO 974   1.361 -16.617   9.409
  438   2HG   PRO 974          HG2       PRO 974   3.061 -16.660   9.922
  439   1HD   PRO 974          HD1       PRO 974   1.824 -15.283   7.568
  440   2HD   PRO 974          HD2       PRO 974   3.079 -14.702   8.680
  441    H    VAL 975           H        VAL 975   2.370 -16.567   5.442
  442    HA   VAL 975           HA       VAL 975   2.367 -18.946   3.773
  443    HB   VAL 975           HB       VAL 975   1.627 -16.235   2.737
  444   1HG1  VAL 975          1HG1      VAL 975   0.554 -19.015   2.251
  445   2HG1  VAL 975          2HG1      VAL 975   0.017 -17.541   1.442
  446   3HG1  VAL 975          3HG1      VAL 975   1.660 -18.132   1.196
  447   1HG2  VAL 975          1HG2      VAL 975   0.545 -16.408   4.911
  448   2HG2  VAL 975          2HG2      VAL 975  -0.641 -16.574   3.615
  449   3HG2  VAL 975          3HG2      VAL 975  -0.081 -18.001   4.486
  450    H    LEU 976           H        LEU 976   4.589 -16.492   4.335
  451    HA   LEU 976           HA       LEU 976   5.823 -16.343   1.799
  452   1HB   LEU 976          HB1       LEU 976   6.275 -14.582   3.266
  453   2HB   LEU 976          HB2       LEU 976   6.721 -15.649   4.578
  454    HG   LEU 976           HG       LEU 976   8.441 -15.540   2.126
  455   1HD1  LEU 976          1HD1      LEU 976   8.047 -13.205   2.740
  456   2HD1  LEU 976          2HD1      LEU 976   8.501 -13.565   4.405
  457   3HD1  LEU 976          3HD1      LEU 976   9.699 -13.695   3.116
  458   1HD2  LEU 976          1HD2      LEU 976  10.207 -16.007   3.736
  459   2HD2  LEU 976          2HD2      LEU 976   9.051 -15.901   5.061
  460   3HD2  LEU 976          3HD2      LEU 976   8.916 -17.201   3.876
  461    HA   PRO 977           HA       PRO 977   8.808 -19.858   3.339
  462   1HB   PRO 977          HB1       PRO 977   7.195 -21.132   5.467
  463   2HB   PRO 977          HB2       PRO 977   8.934 -20.824   5.406
  464   1HG   PRO 977          HG1       PRO 977   7.340 -19.392   6.997
  465   2HG   PRO 977          HG2       PRO 977   8.715 -18.650   6.155
  466   1HD   PRO 977          HD1       PRO 977   5.801 -18.556   5.473
  467   2HD   PRO 977          HD2       PRO 977   7.011 -17.260   5.413
  468    H    ALA 978           H        ALA 978   5.309 -20.038   3.487
  469    HA   ALA 978           HA       ALA 978   5.020 -22.590   2.327
  470   1HB   ALA 978          HB1       ALA 978   3.155 -21.399   3.362
  471   2HB   ALA 978          HB2       ALA 978   3.203 -20.197   2.073
  472   3HB   ALA 978          HB3       ALA 978   2.772 -21.866   1.703
  473    H    SER 979           H        SER 979   4.960 -19.363   0.771
  474    HA   SER 979           HA       SER 979   6.342 -20.251  -1.550
  475   1HB   SER 979          HB1       SER 979   3.343 -20.176  -1.612
  476   2HB   SER 979          HB2       SER 979   4.256 -19.764  -3.070
  477    HG   SER 979           HG       SER 979   4.973 -22.091  -1.696
  478    H    THR 980           H        THR 980   4.291 -17.870  -0.024
  479    HA   THR 980           HA       THR 980   4.324 -15.800  -1.845
  480    HB   THR 980           HB       THR 980   4.414 -15.374   1.131
  481    HG1  THR 980           HG1      THR 980   2.817 -16.841   0.904
  482   1HG2  THR 980          1HG2      THR 980   3.026 -13.898  -1.113
  483   2HG2  THR 980          2HG2      THR 980   2.965 -13.480   0.600
  484   3HG2  THR 980          3HG2      THR 980   4.487 -13.361  -0.284
  485    H    HIS 981           H        HIS 981   6.998 -16.854   0.038
  486    HA   HIS 981           HA       HIS 981   8.441 -14.636   0.664
  487   1HB   HIS 981          HB1       HIS 981   9.155 -16.871   1.266
  488   2HB   HIS 981          HB2       HIS 981   9.460 -17.273  -0.417
  489    HD1  HIS 981           HD1      HIS 981  10.781 -14.730   2.121
  490    HD2  HIS 981           HD2      HIS 981  12.067 -17.094  -1.045
  491    HE1  HIS 981           HE1      HIS 981  13.262 -14.390   1.993
  492    HE2  HIS 981           HE2      HIS 981  14.038 -16.031   0.251
  493    H    ARG 982           H        ARG 982   7.762 -15.652  -2.538
  494    HA   ARG 982           HA       ARG 982  10.039 -14.330  -3.747
  495   1HB   ARG 982          HB1       ARG 982   9.115 -16.197  -4.926
  496   2HB   ARG 982          HB2       ARG 982   7.502 -15.500  -4.888
  497   1HG   ARG 982          HG1       ARG 982   8.215 -13.734  -6.398
  498   2HG   ARG 982          HG2       ARG 982   9.850 -14.399  -6.418
  499   1HD   ARG 982          HD1       ARG 982   9.103 -16.396  -7.482
  500   2HD   ARG 982          HD2       ARG 982   7.412 -15.958  -7.246
  501    HE   ARG 982           HE       ARG 982   7.719 -14.190  -8.879
  502   1HH1  ARG 982          2HH1      ARG 982  10.217 -16.639  -8.720
  503   2HH1  ARG 982          1HH1      ARG 982  10.768 -16.369 -10.341
  504   1HH2  ARG 982          2HH2      ARG 982   8.429 -13.831 -11.016
  505   2HH2  ARG 982          1HH2      ARG 982   9.745 -14.775 -11.653
  506    H    GLU 983           H        GLU 983   6.512 -13.664  -3.714
  507    HA   GLU 983           HA       GLU 983   6.918 -11.069  -4.877
  508   1HB   GLU 983          HB1       GLU 983   4.610 -12.730  -4.251
  509   2HB   GLU 983          HB2       GLU 983   4.350 -11.034  -3.944
  510   1HG   GLU 983          HG1       GLU 983   4.062 -10.622  -6.075
  511   2HG   GLU 983          HG2       GLU 983   5.647 -11.304  -6.456
  512    H    ILE 984           H        ILE 984   6.106 -12.267  -1.654
  513    HA   ILE 984           HA       ILE 984   5.111  -9.871  -0.645
  514    HB   ILE 984           HB       ILE 984   4.779 -11.980   0.512
  515   1HG1  ILE 984          1HG1      ILE 984   5.236 -11.230   2.831
  516   2HG1  ILE 984          2HG1      ILE 984   6.287  -9.966   2.205
  517   1HG2  ILE 984          1HG2      ILE 984   7.720 -11.829   1.163
  518   2HG2  ILE 984          2HG2      ILE 984   6.582 -12.986   1.850
  519   3HG2  ILE 984          3HG2      ILE 984   6.933 -13.014   0.122
  520   1HD1  ILE 984          1HD1      ILE 984   4.397  -8.931   1.088
  521   2HD1  ILE 984          2HD1      ILE 984   3.336 -10.215   1.671
  522   3HD1  ILE 984          3HD1      ILE 984   4.094  -9.109   2.817
  523    H    GLU 985           H        GLU 985   8.424 -11.048  -0.830
  524    HA   GLU 985           HA       GLU 985   9.447  -8.782   0.598
  525   1HB   GLU 985          HB1       GLU 985  11.671  -9.558  -0.053
  526   2HB   GLU 985          HB2       GLU 985  10.712 -10.845   0.657
  527   1HG   GLU 985          HG1       GLU 985  10.351 -11.852  -1.462
  528   2HG   GLU 985          HG2       GLU 985  11.046 -10.463  -2.300
  529    H    MET 986           H        MET 986   9.023  -9.642  -2.827
  530    HA   MET 986           HA       MET 986  10.691  -7.612  -3.827
  531   1HB   MET 986          HB1       MET 986   9.815  -8.008  -5.988
  532   2HB   MET 986          HB2       MET 986   9.854  -9.558  -5.167
  533   1HG   MET 986          HG1       MET 986   7.519  -9.595  -4.905
  534   2HG   MET 986          HG2       MET 986   7.363  -7.887  -5.316
  535   1HE   MET 986          HE1       MET 986   8.119 -11.510  -6.699
  536   2HE   MET 986          HE2       MET 986   8.512 -11.151  -8.381
  537   3HE   MET 986          HE3       MET 986   9.583 -10.606  -7.091
  538    H    ALA 987           H        ALA 987   7.168  -7.558  -3.324
  539    HA   ALA 987           HA       ALA 987   6.974  -4.864  -4.242
  540   1HB   ALA 987          HB1       ALA 987   4.899  -6.565  -2.877
  541   2HB   ALA 987          HB2       ALA 987   4.620  -5.035  -3.711
  542   3HB   ALA 987          HB3       ALA 987   5.150  -6.450  -4.620
  543    H    GLN 988           H        GLN 988   7.195  -6.501  -1.120
  544    HA   GLN 988           HA       GLN 988   6.348  -4.335   0.459
  545   1HB   GLN 988          HB1       GLN 988   6.659  -6.644   1.324
  546   2HB   GLN 988          HB2       GLN 988   8.400  -6.431   1.201
  547   1HG   GLN 988          HG1       GLN 988   8.256  -4.569   2.810
  548   2HG   GLN 988          HG2       GLN 988   6.528  -4.875   2.972
  549   1HE2  GLN 988          2HE2      GLN 988   6.952  -7.792   2.740
  550   2HE2  GLN 988          1HE2      GLN 988   7.567  -8.286   4.278
  551    H    LYS 989           H        LYS 989   9.656  -5.344  -0.470
  552    HA   LYS 989           HA       LYS 989  10.934  -3.041   0.566
  553   1HB   LYS 989          HB1       LYS 989  11.717  -5.019  -1.569
  554   2HB   LYS 989          HB2       LYS 989  12.751  -3.667  -1.125
  555   1HG   LYS 989          HG1       LYS 989  12.883  -4.491   1.156
  556   2HG   LYS 989          HG2       LYS 989  11.795  -5.820   0.751
  557   1HD   LYS 989          HD1       LYS 989  14.182  -6.484   0.780
  558   2HD   LYS 989          HD2       LYS 989  13.408  -6.738  -0.784
  559   1HE   LYS 989          HE1       LYS 989  15.622  -5.791  -1.080
  560   2HE   LYS 989          HE2       LYS 989  14.389  -4.647  -1.603
  561   1HZ   LYS 989          HZ1       LYS 989  16.044  -3.496  -0.355
  562   2HZ   LYS 989          HZ2       LYS 989  14.631  -3.533   0.577
  563   3HZ   LYS 989          HZ3       LYS 989  15.914  -4.575   0.946
  564    H    LEU 990           H        LEU 990   9.340  -3.777  -2.428
  565    HA   LEU 990           HA       LEU 990  10.120  -1.567  -3.955
  566   1HB   LEU 990          HB1       LEU 990   9.076  -3.262  -5.136
  567   2HB   LEU 990          HB2       LEU 990   7.814  -3.462  -3.942
  568    HG   LEU 990           HG       LEU 990   6.803  -1.355  -4.695
  569   1HD1  LEU 990          1HD1      LEU 990   7.542  -0.390  -6.841
  570   2HD1  LEU 990          2HD1      LEU 990   8.795  -0.271  -5.604
  571   3HD1  LEU 990          3HD1      LEU 990   8.907  -1.505  -6.859
  572   1HD2  LEU 990          1HD2      LEU 990   5.974  -2.224  -6.852
  573   2HD2  LEU 990          2HD2      LEU 990   7.211  -3.478  -6.782
  574   3HD2  LEU 990          3HD2      LEU 990   5.951  -3.407  -5.548
  575    H    LEU 991           H        LEU 991   7.158  -2.032  -1.998
  576    HA   LEU 991           HA       LEU 991   6.349   0.672  -2.409
  577   1HB   LEU 991          HB1       LEU 991   4.601   0.147  -0.676
  578   2HB   LEU 991          HB2       LEU 991   4.573  -0.826  -2.127
  579    HG   LEU 991           HG       LEU 991   5.841  -2.594  -0.762
  580   1HD1  LEU 991          1HD1      LEU 991   5.490  -2.517   1.644
  581   2HD1  LEU 991          2HD1      LEU 991   6.460  -1.142   1.116
  582   3HD1  LEU 991          3HD1      LEU 991   4.754  -0.920   1.505
  583   1HD2  LEU 991          1HD2      LEU 991   3.538  -2.826  -1.466
  584   2HD2  LEU 991          2HD2      LEU 991   3.743  -3.441   0.175
  585   3HD2  LEU 991          3HD2      LEU 991   2.995  -1.866  -0.089
  586    H    ASN 992           H        ASN 992   8.412  -0.914  -0.196
  587    HA   ASN 992           HA       ASN 992   8.365   0.894   1.941
  588   1HB   ASN 992          HB1       ASN 992   9.607  -1.189   2.086
  589   2HB   ASN 992          HB2       ASN 992  10.661  -0.694   0.766
  590   1HD2  ASN 992          2HD2      ASN 992  12.288   0.783   1.146
  591   2HD2  ASN 992          1HD2      ASN 992  12.781   1.245   2.738
  592    H    SER 993           H        SER 993   9.936   0.995  -1.209
  593    HA   SER 993           HA       SER 993  11.409   3.384  -0.645
  594   1HB   SER 993          HB1       SER 993  10.851   1.994  -3.267
  595   2HB   SER 993          HB2       SER 993  12.020   3.294  -3.025
  596    HG   SER 993           HG       SER 993  13.135   1.944  -1.571
  597    H    ASP 994           H        ASP 994   8.211   2.753  -1.982
  598    HA   ASP 994           HA       ASP 994   8.163   5.561  -2.881
  599   1HB   ASP 994          HB1       ASP 994   6.790   3.168  -3.947
  600   2HB   ASP 994          HB2       ASP 994   5.913   4.697  -4.019
  601    H    LEU 995           H        LEU 995   6.406   3.298  -0.789
  602    HA   LEU 995           HA       LEU 995   4.769   5.392   0.248
  603   1HB   LEU 995          HB1       LEU 995   5.615   2.722   1.371
  604   2HB   LEU 995          HB2       LEU 995   4.727   3.868   2.359
  605    HG   LEU 995           HG       LEU 995   2.810   3.756   0.913
  606   1HD1  LEU 995          1HD1      LEU 995   3.947   3.558  -1.251
  607   2HD1  LEU 995          2HD1      LEU 995   4.435   1.911  -0.847
  608   3HD1  LEU 995          3HD1      LEU 995   2.727   2.301  -1.051
  609   1HD2  LEU 995          1HD2      LEU 995   2.947   2.057   2.575
  610   2HD2  LEU 995          2HD2      LEU 995   2.249   1.379   1.101
  611   3HD2  LEU 995          3HD2      LEU 995   3.927   1.038   1.514
  612    H    ALA 996           H        ALA 996   8.075   4.593   0.478
  613    HA   ALA 996           HA       ALA 996   8.710   6.326   2.665
  614   1HB   ALA 996          HB1       ALA 996  10.418   5.648   0.269
  615   2HB   ALA 996          HB2       ALA 996  10.976   6.439   1.743
  616   3HB   ALA 996          HB3       ALA 996  10.392   4.776   1.803
  617    H    GLU 997           H        GLU 997   8.528   6.802  -0.841
  618    HA   GLU 997           HA       GLU 997   8.807   9.539  -0.903
  619   1HB   GLU 997          HB1       GLU 997   6.979   7.877  -2.627
  620   2HB   GLU 997          HB2       GLU 997   7.505   9.528  -2.970
  621   1HG   GLU 997          HG1       GLU 997   9.379   7.213  -2.608
  622   2HG   GLU 997          HG2       GLU 997   8.768   7.746  -4.175
  623    H    LEU 998           H        LEU 998   5.905   7.694   0.030
  624    HA   LEU 998           HA       LEU 998   4.159   9.891   0.111
  625   1HB   LEU 998          HB1       LEU 998   2.676   8.591   1.268
  626   2HB   LEU 998          HB2       LEU 998   3.692   7.351   0.577
  627    HG   LEU 998           HG       LEU 998   4.927   7.435   2.875
  628   1HD1  LEU 998          1HD1      LEU 998   2.251   8.603   3.616
  629   2HD1  LEU 998          2HD1      LEU 998   3.444   7.967   4.749
  630   3HD1  LEU 998          3HD1      LEU 998   3.819   9.392   3.780
  631   1HD2  LEU 998          1HD2      LEU 998   2.176   6.248   2.560
  632   2HD2  LEU 998          2HD2      LEU 998   3.697   5.520   2.046
  633   3HD2  LEU 998          3HD2      LEU 998   3.372   5.763   3.762
  634    H    ILE 999           H        ILE 999   6.615   8.788   2.311
  635    HA   ILE 999           HA       ILE 999   6.125  10.604   4.418
  636    HB   ILE 999           HB       ILE 999   8.541   9.085   3.543
  637   1HG1  ILE 999          1HG1      ILE 999   8.459   8.348   5.936
  638   2HG1  ILE 999          2HG1      ILE 999   7.025   9.343   6.146
  639   1HG2  ILE 999          1HG2      ILE 999   9.912  10.114   5.315
  640   2HG2  ILE 999          2HG2      ILE 999   9.515  11.245   4.022
  641   3HG2  ILE 999          3HG2      ILE 999   8.655  11.325   5.560
  642   1HD1  ILE 999          1HD1      ILE 999   6.452   7.009   5.840
  643   2HD1  ILE 999          2HD1      ILE 999   5.845   7.988   4.502
  644   3HD1  ILE 999          3HD1      ILE 999   7.287   6.997   4.287
  645    H    ASN1000           H        ASN1000   8.056  10.895   1.466
  646    HA   ASN1000           HA       ASN1000   8.758  13.640   1.984
  647   1HB   ASN1000          HB1       ASN1000   8.973  11.943  -0.518
  648   2HB   ASN1000          HB2       ASN1000   9.567  13.596  -0.394
  649   1HD2  ASN1000          2HD2      ASN1000  11.018  11.120  -0.917
  650   2HD2  ASN1000          1HD2      ASN1000  12.228  11.019   0.313
  651    H    LYS1001           H        LYS1001   6.027  12.052   0.536
  652    HA   LYS1001           HA       LYS1001   5.059  14.239  -0.972
  653   1HB   LYS1001          HB1       LYS1001   3.634  11.947   0.383
  654   2HB   LYS1001          HB2       LYS1001   2.796  13.147  -0.589
  655   1HG   LYS1001          HG1       LYS1001   3.983  12.476  -2.556
  656   2HG   LYS1001          HG2       LYS1001   5.024  11.406  -1.618
  657   1HD   LYS1001          HD1       LYS1001   3.403  10.028  -2.667
  658   2HD   LYS1001          HD2       LYS1001   2.953  10.130  -0.968
  659   1HE   LYS1001          HE1       LYS1001   1.743  11.843  -3.133
  660   2HE   LYS1001          HE2       LYS1001   1.055  10.313  -2.604
  661   1HZ   LYS1001          HZ1       LYS1001  -0.075  12.019  -1.463
  662   2HZ   LYS1001          HZ2       LYS1001   0.959  11.312  -0.329
  663   3HZ   LYS1001          HZ3       LYS1001   1.363  12.800  -1.025
  664    H    MET1002           H        MET1002   4.605  13.231   2.365
  665    HA   MET1002           HA       MET1002   2.878  15.435   3.000
  666   1HB   MET1002          HB1       MET1002   2.910  14.609   5.253
  667   2HB   MET1002          HB2       MET1002   2.784  13.217   4.190
  668   1HG   MET1002          HG1       MET1002   5.112  12.702   4.509
  669   2HG   MET1002          HG2       MET1002   5.344  14.174   5.449
  670   1HE   MET1002          HE1       MET1002   2.917  10.514   6.855
  671   2HE   MET1002          HE2       MET1002   2.356  11.581   5.568
  672   3HE   MET1002          HE3       MET1002   3.802  10.597   5.332
  673    H    LYS1003           H        LYS1003   6.230  14.544   3.254
  674    HA   LYS1003           HA       LYS1003   7.072  16.680   4.887
  675   1HB   LYS1003          HB1       LYS1003   8.368  14.621   4.557
  676   2HB   LYS1003          HB2       LYS1003   8.577  15.012   2.861
  677   1HG   LYS1003          HG1       LYS1003  10.599  15.527   3.918
  678   2HG   LYS1003          HG2       LYS1003   9.805  17.070   3.601
  679   1HD   LYS1003          HD1       LYS1003   9.178  17.320   5.870
  680   2HD   LYS1003          HD2       LYS1003   9.587  15.642   6.238
  681   1HE   LYS1003          HE1       LYS1003  11.548  17.785   5.424
  682   2HE   LYS1003          HE2       LYS1003  11.281  17.219   7.073
  683   1HZ   LYS1003          HZ1       LYS1003  12.011  15.017   6.400
  684   2HZ   LYS1003          HZ2       LYS1003  12.264  15.551   4.812
  685   3HZ   LYS1003          HZ3       LYS1003  13.214  16.168   6.075
  686    H    LEU1004           H        LEU1004   7.611  16.155   1.394
  687    HA   LEU1004           HA       LEU1004   8.736  18.553   0.837
  688   1HB   LEU1004          HB1       LEU1004   8.270  16.466  -0.675
  689   2HB   LEU1004          HB2       LEU1004   6.885  17.407  -1.189
  690    HG   LEU1004           HG       LEU1004   9.745  18.377  -1.398
  691   1HD1  LEU1004          1HD1      LEU1004   9.566  17.878  -3.779
  692   2HD1  LEU1004          2HD1      LEU1004   9.405  16.418  -2.802
  693   3HD1  LEU1004          3HD1      LEU1004   7.975  17.166  -3.515
  694   1HD2  LEU1004          1HD2      LEU1004   8.803  20.048  -2.955
  695   2HD2  LEU1004          2HD2      LEU1004   7.185  19.434  -2.612
  696   3HD2  LEU1004          3HD2      LEU1004   8.124  20.200  -1.331
  697    H    ALA1005           H        ALA1005   5.238  17.900   0.423
  698    HA   ALA1005           HA       ALA1005   4.700  20.450  -0.612
  699   1HB   ALA1005          HB1       ALA1005   3.143  18.570  -0.793
  700   2HB   ALA1005          HB2       ALA1005   2.845  18.653   0.944
  701   3HB   ALA1005          HB3       ALA1005   2.365  19.992  -0.099
  702    H    GLN1006           H        GLN1006   4.216  19.212   2.657
  703    HA   GLN1006           HA       GLN1006   3.534  21.698   3.793
  704   1HB   GLN1006          HB1       GLN1006   3.079  20.428   5.591
  705   2HB   GLN1006          HB2       GLN1006   3.447  19.072   4.534
  706   1HG   GLN1006          HG1       GLN1006   4.865  18.463   6.139
  707   2HG   GLN1006          HG2       GLN1006   5.918  19.705   5.464
  708   1HE2  GLN1006          2HE2      GLN1006   5.737  18.690   8.193
  709   2HE2  GLN1006          1HE2      GLN1006   5.407  20.062   9.194
  710    H    GLN1007           H        GLN1007   6.542  20.386   2.858
  711    HA   GLN1007           HA       GLN1007   8.119  21.863   4.809
  712   1HB   GLN1007          HB1       GLN1007   8.564  19.511   3.671
  713   2HB   GLN1007          HB2       GLN1007   9.285  20.509   2.420
  714   1HG   GLN1007          HG1       GLN1007  10.920  19.653   4.001
  715   2HG   GLN1007          HG2       GLN1007  10.856  21.421   4.010
  716   1HE2  GLN1007          2HE2      GLN1007   8.368  19.496   5.500
  717   2HE2  GLN1007          1HE2      GLN1007   8.793  19.861   7.146
  718    H    TYR1008           H        TYR1008   7.260  21.964   1.439
  719    HA   TYR1008           HA       TYR1008   9.082  24.219   0.962
  720   1HB   TYR1008          HB1       TYR1008   8.803  21.902  -0.353
  721   2HB   TYR1008          HB2       TYR1008   7.563  22.825  -1.185
  722    HD1  TYR1008           HD1      TYR1008   8.744  22.491  -3.231
  723    HD2  TYR1008           HD2      TYR1008  10.535  24.593  -0.007
  724    HE1  TYR1008           HE1      TYR1008  10.441  23.389  -4.775
  725    HE2  TYR1008           HE2      TYR1008  12.237  25.515  -1.534
  726    HH   TYR1008           HH       TYR1008  11.929  25.442  -4.864
  727    H    VAL1009           H        VAL1009   6.193  23.844   2.098
  728    HA   VAL1009           HA       VAL1009   4.162  24.753   0.592
  729    HB   VAL1009           HB       VAL1009   3.825  24.059   2.873
  730   1HG1  VAL1009          1HG1      VAL1009   5.190  26.626   3.690
  731   2HG1  VAL1009          2HG1      VAL1009   4.379  25.502   4.782
  732   3HG1  VAL1009          3HG1      VAL1009   5.818  24.992   3.900
  733   1HG2  VAL1009          1HG2      VAL1009   2.089  25.454   1.902
  734   2HG2  VAL1009          2HG2      VAL1009   2.237  25.784   3.628
  735   3HG2  VAL1009          3HG2      VAL1009   2.916  26.910   2.454
  736    H    MET1010           H        MET1010   3.708  26.450  -0.573
  737    HA   MET1010           HA       MET1010   4.330  29.111   0.405
  738   1HB   MET1010          HB1       MET1010   6.280  28.348  -1.043
  739   2HB   MET1010          HB2       MET1010   5.162  28.360  -2.400
  740   1HG   MET1010          HG1       MET1010   4.779  30.720  -2.124
  741   2HG   MET1010          HG2       MET1010   5.776  30.743  -0.670
  742   1HE   MET1010          HE1       MET1010   8.411  30.238  -0.692
  743   2HE   MET1010          HE2       MET1010   8.146  28.747  -1.597
  744   3HE   MET1010          HE3       MET1010   9.330  29.924  -2.166
  745    H    THR1011           H        THR1011   1.942  28.207   0.506
  746    HA   THR1011           HA       THR1011  -0.221  28.469  -0.064
  747    HB   THR1011           HB       THR1011   0.751  30.958  -1.469
  748    HG1  THR1011           HG1      THR1011   0.938  30.195   1.121
  749   1HG2  THR1011          1HG2      THR1011  -1.434  31.858  -0.824
  750   2HG2  THR1011          2HG2      THR1011  -1.625  30.423  -1.832
  751   3HG2  THR1011          3HG2      THR1011  -1.863  30.313  -0.089
  752    H    SER1012           H        SER1012   0.678  30.107  -3.067
  753    HA   SER1012           HA       SER1012  -1.169  28.394  -4.466
  754   1HB   SER1012          HB1       SER1012  -0.995  30.839  -4.905
  755   2HB   SER1012          HB2       SER1012   0.619  30.577  -5.565
  756    HG   SER1012           HG       SER1012  -0.327  30.149  -7.375
  757    H    LEU1013           H        LEU1013   2.267  28.668  -4.105
  758    HA   LEU1013           HA       LEU1013   2.886  26.986  -6.352
  759   1HB   LEU1013          HB1       LEU1013   4.584  27.923  -4.043
  760   2HB   LEU1013          HB2       LEU1013   5.186  26.978  -5.389
  761    HG   LEU1013           HG       LEU1013   4.074  29.779  -5.511
  762   1HD1  LEU1013          1HD1      LEU1013   6.313  30.381  -6.215
  763   2HD1  LEU1013          2HD1      LEU1013   6.360  29.576  -4.646
  764   3HD1  LEU1013          3HD1      LEU1013   6.823  28.695  -6.103
  765   1HD2  LEU1013          1HD2      LEU1013   5.015  27.981  -7.744
  766   2HD2  LEU1013          2HD2      LEU1013   3.364  28.544  -7.477
  767   3HD2  LEU1013          3HD2      LEU1013   4.630  29.695  -7.904
  768    H    GLN1014           H        GLN1014   1.550  26.386  -3.385
  769    HA   GLN1014           HA       GLN1014   2.849  24.046  -2.531
  770   1HB   GLN1014          HB1       GLN1014   1.120  25.364  -1.227
  771   2HB   GLN1014          HB2       GLN1014  -0.112  24.604  -2.233
  772   1HG   GLN1014          HG1       GLN1014   0.294  23.510  -0.001
  773   2HG   GLN1014          HG2       GLN1014   0.434  22.436  -1.396
  774   1HE2  GLN1014          2HE2      GLN1014   2.481  21.923  -2.170
  775   2HE2  GLN1014          1HE2      GLN1014   3.862  21.972  -1.101
  776    H    GLN1015           H        GLN1015   0.718  24.692  -5.065
  777    HA   GLN1015           HA       GLN1015  -0.372  22.148  -5.569
  778   1HB   GLN1015          HB1       GLN1015  -1.292  24.241  -6.375
  779   2HB   GLN1015          HB2       GLN1015   0.144  24.521  -7.334
  780   1HG   GLN1015          HG1       GLN1015  -1.424  22.054  -7.856
  781   2HG   GLN1015          HG2       GLN1015  -2.093  23.597  -8.384
  782   1HE2  GLN1015          2HE2      GLN1015  -0.908  24.845  -9.896
  783   2HE2  GLN1015          1HE2      GLN1015   0.228  24.091 -10.963
  784    H    GLU1016           H        GLU1016   2.455  23.827  -6.902
  785    HA   GLU1016           HA       GLU1016   3.492  21.960  -8.603
  786   1HB   GLU1016          HB1       GLU1016   4.583  24.069  -8.313
  787   2HB   GLU1016          HB2       GLU1016   4.897  23.749  -6.617
  788   1HG   GLU1016          HG1       GLU1016   6.911  23.590  -7.951
  789   2HG   GLU1016          HG2       GLU1016   6.519  22.045  -7.210
  790    H    TYR1017           H        TYR1017   4.069  22.052  -5.086
  791    HA   TYR1017           HA       TYR1017   5.494  19.581  -5.077
  792   1HB   TYR1017          HB1       TYR1017   4.274  20.762  -2.589
  793   2HB   TYR1017          HB2       TYR1017   5.847  19.992  -2.815
  794    HD1  TYR1017           HD1      TYR1017   4.650  22.957  -1.884
  795    HD2  TYR1017           HD2      TYR1017   7.002  21.362  -5.041
  796    HE1  TYR1017           HE1      TYR1017   5.618  25.176  -2.282
  797    HE2  TYR1017           HE2      TYR1017   7.992  23.551  -5.424
  798    HH   TYR1017           HH       TYR1017   7.622  26.162  -3.262
  799    H    LYS1018           H        LYS1018   2.189  20.453  -4.887
  800    HA   LYS1018           HA       LYS1018   1.154  17.983  -3.925
  801   1HB   LYS1018          HB1       LYS1018  -0.174  20.041  -3.949
  802   2HB   LYS1018          HB2       LYS1018  -0.076  20.100  -5.702
  803   1HG   LYS1018          HG1       LYS1018  -2.213  19.285  -5.214
  804   2HG   LYS1018          HG2       LYS1018  -1.276  17.876  -5.711
  805   1HD   LYS1018          HD1       LYS1018  -1.017  17.163  -3.444
  806   2HD   LYS1018          HD2       LYS1018  -1.710  18.669  -2.834
  807   1HE   LYS1018          HE1       LYS1018  -3.122  16.518  -4.408
  808   2HE   LYS1018          HE2       LYS1018  -3.376  16.933  -2.714
  809   1HZ   LYS1018          HZ1       LYS1018  -3.969  18.669  -5.052
  810   2HZ   LYS1018          HZ2       LYS1018  -5.109  17.891  -4.068
  811   3HZ   LYS1018          HZ3       LYS1018  -4.147  19.132  -3.432
  812    H    LYS1019           H        LYS1019   1.695  19.331  -7.156
  813    HA   LYS1019           HA       LYS1019   0.887  17.169  -8.731
  814   1HB   LYS1019          HB1       LYS1019   1.431  19.400  -9.608
  815   2HB   LYS1019          HB2       LYS1019   3.118  19.168  -9.175
  816   1HG   LYS1019          HG1       LYS1019   2.985  17.122 -10.762
  817   2HG   LYS1019          HG2       LYS1019   1.548  17.932 -11.393
  818   1HD   LYS1019          HD1       LYS1019   4.339  19.076 -11.238
  819   2HD   LYS1019          HD2       LYS1019   3.496  18.562 -12.699
  820   1HE   LYS1019          HE1       LYS1019   2.520  20.761 -10.881
  821   2HE   LYS1019          HE2       LYS1019   3.526  21.039 -12.301
  822   1HZ   LYS1019          HZ1       LYS1019   1.167  21.361 -12.764
  823   2HZ   LYS1019          HZ2       LYS1019   1.809  20.090 -13.683
  824   3HZ   LYS1019          HZ3       LYS1019   0.847  19.755 -12.328
  825    H    GLN1020           H        GLN1020   4.172  18.059  -7.828
  826    HA   GLN1020           HA       GLN1020   5.568  15.822  -8.472
  827   1HB   GLN1020          HB1       GLN1020   5.917  17.475  -5.973
  828   2HB   GLN1020          HB2       GLN1020   7.109  16.334  -6.589
  829   1HG   GLN1020          HG1       GLN1020   7.243  17.627  -8.671
  830   2HG   GLN1020          HG2       GLN1020   6.089  18.782  -8.008
  831   1HE2  GLN1020          2HE2      GLN1020   7.521  20.459  -8.192
  832   2HE2  GLN1020          1HE2      GLN1020   8.897  20.633  -7.143
  833    H    MET1021           H        MET1021   3.601  16.192  -5.529
  834    HA   MET1021           HA       MET1021   4.332  13.582  -4.583
  835   1HB   MET1021          HB1       MET1021   3.215  14.079  -2.673
  836   2HB   MET1021          HB2       MET1021   3.361  15.719  -3.288
  837   1HG   MET1021          HG1       MET1021   1.133  15.780  -3.984
  838   2HG   MET1021          HG2       MET1021   0.964  14.028  -3.898
  839   1HE   MET1021          HE1       MET1021   2.543  16.553  -1.312
  840   2HE   MET1021          HE2       MET1021   1.120  17.382  -1.943
  841   3HE   MET1021          HE3       MET1021   1.159  16.844  -0.262
  842    H    LEU1022           H        LEU1022   1.910  14.830  -6.720
  843    HA   LEU1022           HA       LEU1022   0.056  12.685  -6.497
  844   1HB   LEU1022          HB1       LEU1022  -0.577  14.833  -7.470
  845   2HB   LEU1022          HB2       LEU1022   0.576  14.606  -8.770
  846    HG   LEU1022           HG       LEU1022  -0.733  12.656  -9.558
  847   1HD1  LEU1022          1HD1      LEU1022  -2.992  12.308  -8.689
  848   2HD1  LEU1022          2HD1      LEU1022  -1.767  12.011  -7.455
  849   3HD1  LEU1022          3HD1      LEU1022  -2.694  13.513  -7.435
  850   1HD2  LEU1022          1HD2      LEU1022  -2.293  15.222  -9.302
  851   2HD2  LEU1022          2HD2      LEU1022  -1.086  14.857 -10.536
  852   3HD2  LEU1022          3HD2      LEU1022  -2.593  13.940 -10.477
  853    H    THR1023           H        THR1023   2.820  13.330  -8.588
  854    HA   THR1023           HA       THR1023   2.638  10.982 -10.137
  855    HB   THR1023           HB       THR1023   5.175  12.455  -9.390
  856    HG1  THR1023           HG1      THR1023   4.435  14.049 -10.570
  857   1HG2  THR1023          1HG2      THR1023   5.964  11.675 -11.573
  858   2HG2  THR1023          2HG2      THR1023   5.511  10.312 -10.550
  859   3HG2  THR1023          3HG2      THR1023   4.430  10.844 -11.838
  860    H    ALA1024           H        ALA1024   3.985  11.679  -6.992
  861    HA   ALA1024           HA       ALA1024   5.260   9.107  -6.698
  862   1HB   ALA1024          HB1       ALA1024   5.722   9.807  -4.419
  863   2HB   ALA1024          HB2       ALA1024   6.125  11.101  -5.549
  864   3HB   ALA1024          HB3       ALA1024   4.638  11.186  -4.605
  865    H    ALA1025           H        ALA1025   2.171  10.531  -6.039
  866    HA   ALA1025           HA       ALA1025   1.196   8.547  -4.247
  867   1HB   ALA1025          HB1       ALA1025   0.177  10.772  -4.404
  868   2HB   ALA1025          HB2       ALA1025  -0.348  10.414  -6.049
  869   3HB   ALA1025          HB3       ALA1025  -1.007   9.499  -4.692
  870    H    HIS1026           H        HIS1026   1.123   8.981  -7.739
  871    HA   HIS1026           HA       HIS1026  -0.463   6.712  -8.319
  872   1HB   HIS1026          HB1       HIS1026  -0.031   8.507  -9.965
  873   2HB   HIS1026          HB2       HIS1026   1.664   8.039 -10.024
  874    HD1  HIS1026           HD1      HIS1026  -1.596   7.330 -11.542
  875    HD2  HIS1026           HD2      HIS1026   2.085   5.413 -11.203
  876    HE1  HIS1026           HE1      HIS1026  -1.609   5.507 -13.280
  877    HE2  HIS1026           HE2      HIS1026   0.611   4.335 -13.034
  878    H    ALA1027           H        ALA1027   3.021   7.222  -8.032
  879    HA   ALA1027           HA       ALA1027   3.826   4.621  -8.715
  880   1HB   ALA1027          HB1       ALA1027   5.940   5.182  -7.663
  881   2HB   ALA1027          HB2       ALA1027   5.349   6.544  -8.617
  882   3HB   ALA1027          HB3       ALA1027   5.194   6.563  -6.861
  883    H    LEU1028           H        LEU1028   3.241   6.072  -5.507
  884    HA   LEU1028           HA       LEU1028   3.805   3.690  -4.090
  885   1HB   LEU1028          HB1       LEU1028   3.924   5.263  -2.528
  886   2HB   LEU1028          HB2       LEU1028   2.965   6.389  -3.450
  887    HG   LEU1028           HG       LEU1028   1.702   4.210  -1.786
  888   1HD1  LEU1028          1HD1      LEU1028   2.428   7.004  -0.936
  889   2HD1  LEU1028          2HD1      LEU1028   1.453   5.860  -0.011
  890   3HD1  LEU1028          3HD1      LEU1028   3.153   5.513  -0.337
  891   1HD2  LEU1028          1HD2      LEU1028  -0.216   5.717  -1.783
  892   2HD2  LEU1028          2HD2      LEU1028   0.691   6.899  -2.728
  893   3HD2  LEU1028          3HD2      LEU1028   0.264   5.341  -3.438
  894    H    ALA1029           H        ALA1029   0.826   5.028  -5.389
  895    HA   ALA1029           HA       ALA1029  -0.984   3.144  -4.473
  896   1HB   ALA1029          HB1       ALA1029  -0.959   4.403  -7.214
  897   2HB   ALA1029          HB2       ALA1029  -2.346   3.649  -6.428
  898   3HB   ALA1029          HB3       ALA1029  -1.645   5.121  -5.756
  899    H    VAL1030           H        VAL1030   1.163   2.926  -7.298
  900    HA   VAL1030           HA       VAL1030   0.299   0.349  -8.110
  901    HB   VAL1030           HB       VAL1030   2.954   1.717  -8.614
  902   1HG1  VAL1030          1HG1      VAL1030   1.694  -0.662  -9.979
  903   2HG1  VAL1030          2HG1      VAL1030   3.159   0.163 -10.512
  904   3HG1  VAL1030          3HG1      VAL1030   3.134  -0.679  -8.961
  905   1HG2  VAL1030          1HG2      VAL1030   1.107   3.015  -9.478
  906   2HG2  VAL1030          2HG2      VAL1030   1.988   2.264 -10.810
  907   3HG2  VAL1030          3HG2      VAL1030   0.445   1.591 -10.281
  908    H    ASP1031           H        ASP1031   2.842   1.505  -5.989
  909    HA   ASP1031           HA       ASP1031   4.049  -0.956  -5.442
  910   1HB   ASP1031          HB1       ASP1031   3.858   1.624  -3.917
  911   2HB   ASP1031          HB2       ASP1031   4.696   0.227  -3.247
  912    H    ALA1032           H        ALA1032   1.406   0.724  -3.662
  913    HA   ALA1032           HA       ALA1032   0.658  -1.310  -1.913
  914   1HB   ALA1032          HB1       ALA1032  -0.382   0.909  -2.007
  915   2HB   ALA1032          HB2       ALA1032  -1.140   0.486  -3.542
  916   3HB   ALA1032          HB3       ALA1032  -1.585  -0.379  -2.070
  917    H    LYS1033           H        LYS1033  -0.464  -0.782  -5.254
  918    HA   LYS1033           HA       LYS1033  -2.189  -3.017  -5.219
  919   1HB   LYS1033          HB1       LYS1033  -1.211  -1.281  -7.460
  920   2HB   LYS1033          HB2       LYS1033  -2.292  -2.642  -7.740
  921   1HG   LYS1033          HG1       LYS1033  -3.821  -1.609  -6.011
  922   2HG   LYS1033          HG2       LYS1033  -2.805  -0.172  -6.114
  923   1HD   LYS1033          HD1       LYS1033  -3.334   0.134  -8.414
  924   2HD   LYS1033          HD2       LYS1033  -4.127  -1.441  -8.501
  925   1HE   LYS1033          HE1       LYS1033  -5.790  -0.630  -6.842
  926   2HE   LYS1033          HE2       LYS1033  -5.039   0.962  -6.926
  927   1HZ   LYS1033          HZ1       LYS1033  -7.044   0.671  -8.338
  928   2HZ   LYS1033          HZ2       LYS1033  -5.670   1.180  -9.192
  929   3HZ   LYS1033          HZ3       LYS1033  -6.178  -0.441  -9.282
  930    H    ASN1034           H        ASN1034   1.192  -2.833  -6.053
  931    HA   ASN1034           HA       ASN1034   1.212  -5.324  -7.463
  932   1HB   ASN1034          HB1       ASN1034   3.058  -3.581  -7.572
  933   2HB   ASN1034          HB2       ASN1034   3.559  -4.136  -5.974
  934   1HD2  ASN1034          2HD2      ASN1034   5.469  -5.091  -6.485
  935   2HD2  ASN1034          1HD2      ASN1034   5.634  -6.434  -7.545
  936    H    LEU1035           H        LEU1035   1.635  -4.332  -4.133
  937    HA   LEU1035           HA       LEU1035   2.402  -6.975  -3.170
  938   1HB   LEU1035          HB1       LEU1035   3.171  -4.780  -2.179
  939   2HB   LEU1035          HB2       LEU1035   1.529  -4.485  -1.642
  940    HG   LEU1035           HG       LEU1035   3.112  -5.234   0.125
  941   1HD1  LEU1035          1HD1      LEU1035   0.741  -5.498   0.460
  942   2HD1  LEU1035          2HD1      LEU1035   0.779  -7.057  -0.362
  943   3HD1  LEU1035          3HD1      LEU1035   1.626  -6.852   1.170
  944   1HD2  LEU1035          1HD2      LEU1035   4.430  -6.787  -1.189
  945   2HD2  LEU1035          2HD2      LEU1035   3.758  -7.575   0.239
  946   3HD2  LEU1035          3HD2      LEU1035   3.036  -7.854  -1.348
  947    H    LEU1036           H        LEU1036  -0.460  -5.050  -3.585
  948    HA   LEU1036           HA       LEU1036  -2.447  -6.483  -2.326
  949   1HB   LEU1036          HB1       LEU1036  -2.731  -4.352  -3.596
  950   2HB   LEU1036          HB2       LEU1036  -2.492  -5.230  -5.089
  951    HG   LEU1036           HG       LEU1036  -4.875  -4.576  -4.405
  952   1HD1  LEU1036          1HD1      LEU1036  -4.235  -7.414  -5.189
  953   2HD1  LEU1036          2HD1      LEU1036  -5.795  -6.619  -5.391
  954   3HD1  LEU1036          3HD1      LEU1036  -4.388  -6.036  -6.280
  955   1HD2  LEU1036          1HD2      LEU1036  -4.464  -6.989  -2.665
  956   2HD2  LEU1036          2HD2      LEU1036  -4.761  -5.339  -2.115
  957   3HD2  LEU1036          3HD2      LEU1036  -6.013  -6.215  -3.000
  958    H    ASP1037           H        ASP1037  -1.039  -6.904  -5.484
  959    HA   ASP1037           HA       ASP1037  -2.509  -9.284  -6.114
  960   1HB   ASP1037          HB1       ASP1037  -1.598  -7.647  -7.819
  961   2HB   ASP1037          HB2       ASP1037   0.007  -8.277  -7.460
  962    H    VAL1038           H        VAL1038   0.663  -8.448  -4.957
  963    HA   VAL1038           HA       VAL1038   1.963 -10.856  -4.806
  964    HB   VAL1038           HB       VAL1038   1.961  -8.491  -2.949
  965   1HG1  VAL1038          1HG1      VAL1038   2.462 -10.434  -1.565
  966   2HG1  VAL1038          2HG1      VAL1038   3.702 -10.942  -2.713
  967   3HG1  VAL1038          3HG1      VAL1038   3.903  -9.444  -1.804
  968   1HG2  VAL1038          1HG2      VAL1038   4.200  -8.154  -3.874
  969   2HG2  VAL1038          2HG2      VAL1038   4.011  -9.602  -4.862
  970   3HG2  VAL1038          3HG2      VAL1038   2.978  -8.202  -5.144
  971    H    ILE1039           H        ILE1039  -0.075  -9.496  -2.180
  972    HA   ILE1039           HA       ILE1039   0.178 -12.049  -0.846
  973    HB   ILE1039           HB       ILE1039  -0.818 -11.005   1.115
  974   1HG1  ILE1039          1HG1      ILE1039  -0.845  -8.486  -0.556
  975   2HG1  ILE1039          2HG1      ILE1039  -2.263  -9.354   0.034
  976   1HG2  ILE1039          1HG2      ILE1039   1.054  -9.505   1.604
  977   2HG2  ILE1039          2HG2      ILE1039   1.583 -10.980   0.795
  978   3HG2  ILE1039          3HG2      ILE1039   1.466  -9.470  -0.109
  979   1HD1  ILE1039          1HD1      ILE1039  -1.804  -7.420   1.410
  980   2HD1  ILE1039          2HD1      ILE1039  -1.568  -8.903   2.334
  981   3HD1  ILE1039          3HD1      ILE1039  -0.173  -8.009   1.729
  982    H    ASP1040           H        ASP1040  -2.389 -10.168  -2.425
  983    HA   ASP1040           HA       ASP1040  -4.492 -11.915  -1.895
  984   1HB   ASP1040          HB1       ASP1040  -4.971 -10.110  -3.388
  985   2HB   ASP1040          HB2       ASP1040  -3.690 -10.594  -4.497
  986    H    GLN1041           H        GLN1041  -1.835 -12.216  -4.197
  987    HA   GLN1041           HA       GLN1041  -2.502 -14.923  -4.826
  988   1HB   GLN1041          HB1       GLN1041  -0.169 -13.193  -5.536
  989   2HB   GLN1041          HB2       GLN1041  -0.122 -14.930  -5.822
  990   1HG   GLN1041          HG1       GLN1041  -2.346 -14.596  -7.046
  991   2HG   GLN1041          HG2       GLN1041  -1.942 -12.881  -7.030
  992   1HE2  GLN1041          2HE2      GLN1041  -0.263 -12.129  -8.299
  993   2HE2  GLN1041          1HE2      GLN1041   0.452 -13.096  -9.549
  994    H    ALA1042           H        ALA1042  -0.520 -13.395  -2.359
  995    HA   ALA1042           HA       ALA1042   0.977 -15.509  -1.483
  996   1HB   ALA1042          HB1       ALA1042  -0.633 -13.677   0.278
  997   2HB   ALA1042          HB2       ALA1042   0.756 -14.643   0.776
  998   3HB   ALA1042          HB3       ALA1042   0.965 -13.328  -0.380
  999    H    ARG1043           H        ARG1043  -2.359 -14.823  -0.440
 1000    HA   ARG1043           HA       ARG1043  -2.903 -17.227   0.817
 1001   1HB   ARG1043          HB1       ARG1043  -4.466 -15.072  -0.324
 1002   2HB   ARG1043          HB2       ARG1043  -5.276 -16.619  -0.524
 1003   1HG   ARG1043          HG1       ARG1043  -5.915 -15.424   1.542
 1004   2HG   ARG1043          HG2       ARG1043  -5.230 -17.018   1.839
 1005   1HD   ARG1043          HD1       ARG1043  -3.139 -16.070   2.511
 1006   2HD   ARG1043          HD2       ARG1043  -3.649 -14.458   2.006
 1007    HE   ARG1043           HE       ARG1043  -5.483 -14.911   3.819
 1008   1HH1  ARG1043          2HH1      ARG1043  -2.078 -15.723   4.025
 1009   2HH1  ARG1043          1HH1      ARG1043  -2.035 -15.604   5.755
 1010   1HH2  ARG1043          2HH2      ARG1043  -5.414 -14.721   6.066
 1011   2HH2  ARG1043          1HH2      ARG1043  -3.918 -15.040   6.918
 1012    H    LEU1044           H        LEU1044  -2.927 -16.529  -2.647
 1013    HA   LEU1044           HA       LEU1044  -3.743 -19.164  -3.421
 1014   1HB   LEU1044          HB1       LEU1044  -3.955 -17.142  -4.803
 1015   2HB   LEU1044          HB2       LEU1044  -2.223 -17.108  -5.021
 1016    HG   LEU1044           HG       LEU1044  -3.630 -18.006  -6.940
 1017   1HD1  LEU1044          1HD1      LEU1044  -2.050 -19.798  -7.487
 1018   2HD1  LEU1044          2HD1      LEU1044  -1.237 -18.358  -6.875
 1019   3HD1  LEU1044          3HD1      LEU1044  -1.449 -19.763  -5.829
 1020   1HD2  LEU1044          1HD2      LEU1044  -4.322 -20.345  -6.793
 1021   2HD2  LEU1044          2HD2      LEU1044  -3.870 -20.368  -5.088
 1022   3HD2  LEU1044          3HD2      LEU1044  -5.187 -19.330  -5.638
 1023    H    LYS1045           H        LYS1045  -0.610 -17.635  -2.849
 1024    HA   LYS1045           HA       LYS1045   1.109 -19.611  -3.797
 1025   1HB   LYS1045          HB1       LYS1045   1.456 -18.059  -1.216
 1026   2HB   LYS1045          HB2       LYS1045   2.724 -18.843  -2.131
 1027   1HG   LYS1045          HG1       LYS1045   1.118 -16.480  -3.050
 1028   2HG   LYS1045          HG2       LYS1045   2.744 -16.426  -2.370
 1029   1HD   LYS1045          HD1       LYS1045   3.537 -17.821  -4.258
 1030   2HD   LYS1045          HD2       LYS1045   1.913 -17.765  -4.950
 1031   1HE   LYS1045          HE1       LYS1045   2.066 -15.316  -5.067
 1032   2HE   LYS1045          HE2       LYS1045   3.696 -15.391  -4.405
 1033   1HZ   LYS1045          HZ1       LYS1045   3.845 -15.161  -6.756
 1034   2HZ   LYS1045          HZ2       LYS1045   4.317 -16.747  -6.370
 1035   3HZ   LYS1045          HZ3       LYS1045   2.775 -16.457  -7.018
 1036    H    MET1046           H        MET1046  -1.008 -19.468  -1.098
 1037    HA   MET1046           HA       MET1046   0.176 -21.634   0.369
 1038   1HB   MET1046          HB1       MET1046  -1.242 -19.924   1.451
 1039   2HB   MET1046          HB2       MET1046  -2.619 -20.504   0.523
 1040   1HG   MET1046          HG1       MET1046  -2.417 -22.690   1.613
 1041   2HG   MET1046          HG2       MET1046  -1.055 -22.076   2.552
 1042   1HE   MET1046          HE1       MET1046  -2.775 -19.345   4.774
 1043   2HE   MET1046          HE2       MET1046  -1.279 -20.219   4.449
 1044   3HE   MET1046          HE3       MET1046  -1.948 -19.132   3.232
 1045    H    ILE1047           H        ILE1047  -2.644 -21.278  -1.754
 1046    HA   ILE1047           HA       ILE1047  -3.319 -24.021  -1.856
 1047    HB   ILE1047           HB       ILE1047  -3.750 -21.952  -4.018
 1048   1HG1  ILE1047          1HG1      ILE1047  -4.643 -21.105  -1.933
 1049   2HG1  ILE1047          2HG1      ILE1047  -5.979 -21.625  -2.955
 1050   1HG2  ILE1047          1HG2      ILE1047  -5.639 -23.345  -4.683
 1051   2HG2  ILE1047          2HG2      ILE1047  -4.128 -24.252  -4.754
 1052   3HG2  ILE1047          3HG2      ILE1047  -5.242 -24.502  -3.411
 1053   1HD1  ILE1047          1HD1      ILE1047  -4.816 -23.156  -0.641
 1054   2HD1  ILE1047          2HD1      ILE1047  -6.344 -22.274  -0.653
 1055   3HD1  ILE1047          3HD1      ILE1047  -6.141 -23.700  -1.670
 1056    H    SER1048           H        SER1048  -1.271 -21.965  -3.865
 1057    HA   SER1048           HA       SER1048  -0.400 -23.723  -5.805
 1058   1HB   SER1048          HB1       SER1048   0.165 -21.280  -5.622
 1059   2HB   SER1048          HB2       SER1048   1.337 -21.685  -4.365
 1060    HG   SER1048           HG       SER1048   1.585 -21.810  -7.058
 1061    H    GLN1049           H        GLN1049   0.794 -23.370  -2.493
 1062    HA   GLN1049           HA       GLN1049   2.863 -25.343  -2.849
 1063   1HB   GLN1049          HB1       GLN1049   2.982 -23.322  -1.325
 1064   2HB   GLN1049          HB2       GLN1049   1.845 -24.137  -0.269
 1065   1HG   GLN1049          HG1       GLN1049   4.423 -25.443  -1.033
 1066   2HG   GLN1049          HG2       GLN1049   4.363 -24.239   0.250
 1067   1HE2  GLN1049          2HE2      GLN1049   5.045 -27.043   0.404
 1068   2HE2  GLN1049          1HE2      GLN1049   3.929 -27.763   1.518
 1069    H    SER1050           H        SER1050  -0.420 -25.245  -1.682
 1070    HA   SER1050           HA       SER1050  -0.282 -27.749  -0.300
 1071   1HB   SER1050          HB1       SER1050  -2.709 -26.182  -1.196
 1072   2HB   SER1050          HB2       SER1050  -2.704 -27.517  -0.044
 1073    HG   SER1050           HG       SER1050  -1.591 -24.929   0.232
 1074    H    ARG1051           H        ARG1051  -2.305 -26.839  -3.114
 1075    HA   ARG1051           HA       ARG1051  -1.733 -29.417  -4.345
 1076   1HB   ARG1051          HB1       ARG1051  -4.560 -28.549  -3.690
 1077   2HB   ARG1051          HB2       ARG1051  -4.110 -29.984  -4.600
 1078   1HG   ARG1051          HG1       ARG1051  -2.987 -30.876  -2.609
 1079   2HG   ARG1051          HG2       ARG1051  -3.493 -29.450  -1.702
 1080   1HD   ARG1051          HD1       ARG1051  -5.273 -31.531  -2.957
 1081   2HD   ARG1051          HD2       ARG1051  -4.995 -31.275  -1.237
 1082    HE   ARG1051           HE       ARG1051  -6.606 -29.601  -3.024
 1083   1HH1  ARG1051          2HH1      ARG1051  -5.305 -30.127   0.191
 1084   2HH1  ARG1051          1HH1      ARG1051  -6.541 -29.187   0.977
 1085   1HH2  ARG1051          2HH2      ARG1051  -8.209 -28.378  -2.009
 1086   2HH2  ARG1051          1HH2      ARG1051  -8.225 -28.218  -0.273
 1087    HA   PRO1052           HA       PRO1052  -2.020 -26.225  -7.585
 1088   1HB   PRO1052          HB1       PRO1052  -0.301 -27.448  -9.280
 1089   2HB   PRO1052          HB2       PRO1052   0.246 -26.451  -7.926
 1090   1HG   PRO1052          HG1       PRO1052   0.051 -29.432  -8.127
 1091   2HG   PRO1052          HG2       PRO1052   1.343 -28.439  -7.428
 1092   1HD   PRO1052          HD1       PRO1052  -0.560 -29.669  -5.922
 1093   2HD   PRO1052          HD2       PRO1052   0.216 -28.146  -5.445
 1094    H    HIS1053           H        HIS1053  -4.243 -27.134  -7.707
 1095    HA   HIS1053           HA       HIS1053  -4.651 -28.372 -10.279
 1096   1HB   HIS1053          HB1       HIS1053  -4.404 -30.336  -8.788
 1097   2HB   HIS1053          HB2       HIS1053  -5.699 -29.715  -7.769
 1098    HD1  HIS1053           HD1      HIS1053  -5.070 -31.289 -11.122
 1099    HD2  HIS1053           HD2      HIS1053  -8.275 -30.184  -8.708
 1100    HE1  HIS1053           HE1      HIS1053  -7.107 -32.322 -12.180
 1101    HE2  HIS1053           HE2      HIS1053  -9.051 -31.501 -10.796