*HEADER    DNA BINDING PROTEIN/TRANSFERASE         19-FEB-03   1NZP              
*TITLE     SOLUTION STRUCTURE OF THE LYASE DOMAIN OF HUMAN DNA                   
*TITLE    2 POLYMERASE LAMBDA                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA POLYMERASE LAMBDA;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: POLYMERASE LAMBDA LYASE DOMAIN(RESIDUES 242 -              
*COMPND   5 327);                                                                
*COMPND   6 SYNONYM: POL LAMBDA, DNA POLYMERASE LAMBDA, DNA POLYMERASE           
*COMPND   7 BETA-2, POL BETA2;                                                   
*COMPND   8 EC: 2.7.7.7;                                                         
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: POLL;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BLR (DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET30A(+)                                 
*KEYWDS    DNA POLYMERASE LAMBDA, POL LAMBDA, LYASE DOMAIN, 8 KDA                
*KEYWDS   2 DOMAIN, POL BETA-LIKE                                                
*EXPDTA    NMR, 8 STRUCTURES                                                     
*AUTHOR    E.F.DEROSE, T.W.KIRBY, G.A.MUELLER, K.BEBENEK, M.GARCIA-              
*AUTHOR   2 DIAZ, L.BLANCO, T.A.KUNKEL, R.E.LONDON                               
*REVDAT   1   05-AUG-03 1NZP    0                                                

! Talos Database predictions rerun by GM 030399
! Chemical shifts corrected for deuteration HVIL labeling
! Talos recompiled without mbp in database.

{* PHI restraints from Luginbuehl et al., JMR B 109(1995):229-233 *}
{* Helix: -120...-20 = -70.0 50.0 2 *}
{* Sheet: 160...180...-80 = -140.0 60.0 2 *}
{* PSI restraints --- see note above *}
{* Helix: -100...0 = -50.0 50.0 2 *}
{* Sheet: 40.0...180.0...-140.0 = 130.0 90.0 2 *}

Talos predictions take precedance.

! Resdiue A 9 DATABASE
assign (resid 8 and name C  )(resid 9 and name N  )
       (resid 9 and name CA )(resid 9 and name C  ) 1.0 -83.73 33.64 2
assign (resid 9 and name N  )(resid 9 and name CA )
       (resid 9 and name C  )(resid 10 and name N  ) 1.0 126.85 42.58 2

! Resdiue N 11 DATABASE
assign (resid 10 and name C  )(resid 11 and name N  )
       (resid 11 and name CA )(resid 11 and name C  ) 1.0 -85.45 34.22 2
assign (resid 11 and name N  )(resid 11 and name CA )
       (resid 11 and name C  )(resid 12 and name N  ) 1.0 136.14 50.24 2

! Resdiue H 15 DATABASE
assign (resid 14 and name C  )(resid 15 and name N  )
       (resid 15 and name CA )(resid 15 and name C  ) 1.0 -68.61 22.10 2
assign (resid 15 and name N  )(resid 15 and name CA )
       (resid 15 and name C  )(resid 16 and name N  ) 1.0 -32.62 32.74 2

! Resdiue I 16 DATABASE
assign (resid 15 and name C  )(resid 16 and name N  )
       (resid 16 and name CA )(resid 16 and name C  ) 1.0 -74.79 36.22 2
assign (resid 16 and name N  )(resid 16 and name CA )
       (resid 16 and name C  )(resid 17 and name N  ) 1.0 -34.65 24.42 2

! Resdiue T 17 DATABASE
assign (resid 16 and name C  )(resid 17 and name N  )
       (resid 17 and name CA )(resid 17 and name C  ) 1.0 -67.74 25.06 2
assign (resid 17 and name N  )(resid 17 and name CA )
       (resid 17 and name C  )(resid 18 and name N  ) 1.0 -39.32 20.00 2

! Resdiue E 18 DATABASE
assign (resid 17 and name C  )(resid 18 and name N  )
       (resid 18 and name CA )(resid 18 and name C  ) 1.0 -65.17 20.00 2
assign (resid 18 and name N  )(resid 18 and name CA )
       (resid 18 and name C  )(resid 19 and name N  ) 1.0 -42.73 20.00 2

! Resdiue K 19 DATABASE
assign (resid 18 and name C  )(resid 19 and name N  )
       (resid 19 and name CA )(resid 19 and name C  ) 1.0 -64.23 20.00 2
assign (resid 19 and name N  )(resid 19 and name CA )
       (resid 19 and name C  )(resid 20 and name N  ) 1.0 -39.94 20.00 2

! Resdiue L 20 DATABASE
assign (resid 19 and name C  )(resid 20 and name N  )
       (resid 20 and name CA )(resid 20 and name C  ) 1.0 -63.14 20.64 2
assign (resid 20 and name N  )(resid 20 and name CA )
       (resid 20 and name C  )(resid 21 and name N  ) 1.0 -38.47 20.00 2

! Resdiue E 21 DATABASE
assign (resid 20 and name C  )(resid 21 and name N  )
       (resid 21 and name CA )(resid 21 and name C  ) 1.0 -67.00 20.00 2
assign (resid 21 and name N  )(resid 21 and name CA )
       (resid 21 and name C  )(resid 22 and name N  ) 1.0 -38.68 20.00 2

! Resdiue V 22 DATABASE
assign (resid 21 and name C  )(resid 22 and name N  )
       (resid 22 and name CA )(resid 22 and name C  ) 1.0 -67.14 20.00 2
assign (resid 22 and name N  )(resid 22 and name CA )
       (resid 22 and name C  )(resid 23 and name N  ) 1.0 -40.12 20.00 2

! Resdiue L 23 DATABASE
assign (resid 22 and name C  )(resid 23 and name N  )
       (resid 23 and name CA )(resid 23 and name C  ) 1.0 -62.91 20.00 2
assign (resid 23 and name N  )(resid 23 and name CA )
       (resid 23 and name C  )(resid 24 and name N  ) 1.0 -41.89 20.00 2

! Resdiue A 24 DATABASE
assign (resid 23 and name C  )(resid 24 and name N  )
       (resid 24 and name CA )(resid 24 and name C  ) 1.0 -62.68 20.00 2
assign (resid 24 and name N  )(resid 24 and name CA )
       (resid 24 and name C  )(resid 25 and name N  ) 1.0 -40.59 20.00 2

! Resdiue K 25 DATABASE
assign (resid 24 and name C  )(resid 25 and name N  )
       (resid 25 and name CA )(resid 25 and name C  ) 1.0 -64.88 20.00 2
assign (resid 25 and name N  )(resid 25 and name CA )
       (resid 25 and name C  )(resid 26 and name N  ) 1.0 -41.13 20.00 2

! Resdiue A 26 DATABASE
assign (resid 25 and name C  )(resid 26 and name N  )
       (resid 26 and name CA )(resid 26 and name C  ) 1.0 -64.38 20.00 2
assign (resid 26 and name N  )(resid 26 and name CA )
       (resid 26 and name C  )(resid 27 and name N  ) 1.0 -42.70 20.00 2

! Resdiue Y 27 DATABASE
assign (resid 26 and name C  )(resid 27 and name N  )
       (resid 27 and name CA )(resid 27 and name C  ) 1.0 -64.94 20.00 2
assign (resid 27 and name N  )(resid 27 and name CA )
       (resid 27 and name C  )(resid 28 and name N  ) 1.0 -41.09 20.00 2

! Resdiue S 28 DATABASE
assign (resid 27 and name C  )(resid 28 and name N  )
       (resid 28 and name CA )(resid 28 and name C  ) 1.0 -65.54 20.00 2
assign (resid 28 and name N  )(resid 28 and name CA )
       (resid 28 and name C  )(resid 29 and name N  ) 1.0 -39.05 20.00 2

! Resdiue Q 30 DATABASE
assign (resid 29 and name C  )(resid 30 and name N  )
       (resid 30 and name CA )(resid 30 and name C  ) 1.0 -90.64 36.82 2
assign (resid 30 and name N  )(resid 30 and name CA )
       (resid 30 and name C  )(resid 31 and name N  ) 1.0 -1.41 23.08 2

! Resdiue K 33 DATABASE
assign (resid 32 and name C  )(resid 33 and name N  )
       (resid 33 and name CA )(resid 33 and name C  ) 1.0 -64.61 20.00 2
assign (resid 33 and name N  )(resid 33 and name CA )
       (resid 33 and name C  )(resid 34 and name N  ) 1.0 -26.94 22.08 2

! Resdiue W 34 DATABASE
assign (resid 33 and name C  )(resid 34 and name N  )
       (resid 34 and name CA )(resid 34 and name C  ) 1.0 -65.55 20.00 2
assign (resid 34 and name N  )(resid 34 and name CA )
       (resid 34 and name C  )(resid 35 and name N  ) 1.0 -34.93 22.52 2

! Resdiue R 35 DATABASE
assign (resid 34 and name C  )(resid 35 and name N  )
       (resid 35 and name CA )(resid 35 and name C  ) 1.0 -66.69 22.52 2
assign (resid 35 and name N  )(resid 35 and name CA )
       (resid 35 and name C  )(resid 36 and name N  ) 1.0 -44.81 20.00 2

! Resdiue A 36 DATABASE
assign (resid 35 and name C  )(resid 36 and name N  )
       (resid 36 and name CA )(resid 36 and name C  ) 1.0 -65.77 20.00 2
assign (resid 36 and name N  )(resid 36 and name CA )
       (resid 36 and name C  )(resid 37 and name N  ) 1.0 -40.81 20.00 2

! Resdiue L 37 DATABASE
assign (resid 36 and name C  )(resid 37 and name N  )
       (resid 37 and name CA )(resid 37 and name C  ) 1.0 -62.97 20.00 2
assign (resid 37 and name N  )(resid 37 and name CA )
       (resid 37 and name C  )(resid 38 and name N  ) 1.0 -39.97 20.00 2

! Resdiue G 38 DATABASE
assign (resid 37 and name C  )(resid 38 and name N  )
       (resid 38 and name CA )(resid 38 and name C  ) 1.0 -62.98 20.00 2
assign (resid 38 and name N  )(resid 38 and name CA )
       (resid 38 and name C  )(resid 39 and name N  ) 1.0 -40.61 20.00 2

! Resdiue Y 39 DATABASE
assign (resid 38 and name C  )(resid 39 and name N  )
       (resid 39 and name CA )(resid 39 and name C  ) 1.0 -67.03 20.00 2
assign (resid 39 and name N  )(resid 39 and name CA )
       (resid 39 and name C  )(resid 40 and name N  ) 1.0 -41.01 20.00 2

! Resdiue A 40 DATABASE
assign (resid 39 and name C  )(resid 40 and name N  )
       (resid 40 and name CA )(resid 40 and name C  ) 1.0 -64.64 20.00 2
assign (resid 40 and name N  )(resid 40 and name CA )
       (resid 40 and name C  )(resid 41 and name N  ) 1.0 -40.10 20.00 2

! Resdiue K 41 DATABASE
assign (resid 40 and name C  )(resid 41 and name N  )
       (resid 41 and name CA )(resid 41 and name C  ) 1.0 -69.42 20.00 2
assign (resid 41 and name N  )(resid 41 and name CA )
       (resid 41 and name C  )(resid 42 and name N  ) 1.0 -35.04 20.00 2

! Resdiue A 42 DATABASE
assign (resid 41 and name C  )(resid 42 and name N  )
       (resid 42 and name CA )(resid 42 and name C  ) 1.0 -65.09 20.00 2
assign (resid 42 and name N  )(resid 42 and name CA )
       (resid 42 and name C  )(resid 43 and name N  ) 1.0 -43.07 20.00 2

! Resdiue I 43 DATABASE
assign (resid 42 and name C  )(resid 43 and name N  )
       (resid 43 and name CA )(resid 43 and name C  ) 1.0 -66.95 20.00 2
assign (resid 43 and name N  )(resid 43 and name CA )
       (resid 43 and name C  )(resid 44 and name N  ) 1.0 -40.70 20.00 2

! Resdiue N 44 DATABASE
assign (resid 43 and name C  )(resid 44 and name N  )
       (resid 44 and name CA )(resid 44 and name C  ) 1.0 -63.26 20.00 2
assign (resid 44 and name N  )(resid 44 and name CA )
       (resid 44 and name C  )(resid 45 and name N  ) 1.0 -37.27 20.00 2

! Resdiue A 45 DATABASE
assign (resid 44 and name C  )(resid 45 and name N  )
       (resid 45 and name CA )(resid 45 and name C  ) 1.0 -67.71 20.00 2
assign (resid 45 and name N  )(resid 45 and name CA )
       (resid 45 and name C  )(resid 46 and name N  ) 1.0 -41.75 20.00 2

! Resdiue L 46 DATABASE
assign (resid 45 and name C  )(resid 46 and name N  )
       (resid 46 and name CA )(resid 46 and name C  ) 1.0 -66.75 20.00 2
assign (resid 46 and name N  )(resid 46 and name CA )
       (resid 46 and name C  )(resid 47 and name N  ) 1.0 -39.28 20.00 2

! Resdiue F 49 DATABASE
assign (resid 48 and name C  )(resid 49 and name N  )
       (resid 49 and name CA )(resid 49 and name C  ) 1.0 -80.24 36.62 2
assign (resid 49 and name N  )(resid 49 and name CA )
       (resid 49 and name C  )(resid 50 and name N  ) 1.0 113.40 40.22 2

! Resdiue H 50 DATABASE
assign (resid 49 and name C  )(resid 50 and name N  )
       (resid 50 and name CA )(resid 50 and name C  ) 1.0 -80.56 42.82 2
assign (resid 50 and name N  )(resid 50 and name CA )
       (resid 50 and name C  )(resid 51 and name N  ) 1.0 -24.65 42.34 2

! Resdiue S 55 DATABASE
assign (resid 54 and name C  )(resid 55 and name N  )
       (resid 55 and name CA )(resid 55 and name C  ) 1.0 -119.15 49.52 2
assign (resid 55 and name N  )(resid 55 and name CA )
       (resid 55 and name C  )(resid 56 and name N  ) 1.0 158.69 29.98 2

! Resdiue Y 56 DATABASE
assign (resid 55 and name C  )(resid 56 and name N  )
       (resid 56 and name CA )(resid 56 and name C  ) 1.0 -62.02 20.00 2
assign (resid 56 and name N  )(resid 56 and name CA )
       (resid 56 and name C  )(resid 57 and name N  ) 1.0 -36.40 20.00 2

! Resdiue Q 57 DATABASE
assign (resid 56 and name C  )(resid 57 and name N  )
       (resid 57 and name CA )(resid 57 and name C  ) 1.0 -63.47 20.00 2
assign (resid 57 and name N  )(resid 57 and name CA )
       (resid 57 and name C  )(resid 58 and name N  ) 1.0 -38.76 20.00 2

! Resdiue E 58 DATABASE
assign (resid 57 and name C  )(resid 58 and name N  )
       (resid 58 and name CA )(resid 58 and name C  ) 1.0 -67.95 20.00 2
assign (resid 58 and name N  )(resid 58 and name CA )
       (resid 58 and name C  )(resid 59 and name N  ) 1.0 -40.06 20.00 2

! Resdiue A 59 DATABASE
assign (resid 58 and name C  )(resid 59 and name N  )
       (resid 59 and name CA )(resid 59 and name C  ) 1.0 -66.13 20.00 2
assign (resid 59 and name N  )(resid 59 and name CA )
       (resid 59 and name C  )(resid 60 and name N  ) 1.0 -41.62 20.00 2

! Resdiue K 67 DATABASE
assign (resid 66 and name C  )(resid 67 and name N  )
       (resid 67 and name CA )(resid 67 and name C  ) 1.0 -59.91 20.00 2
assign (resid 67 and name N  )(resid 67 and name CA )
       (resid 67 and name C  )(resid 68 and name N  ) 1.0 -36.23 20.00 2

! Resdiue R 68 DATABASE
assign (resid 67 and name C  )(resid 68 and name N  )
       (resid 68 and name CA )(resid 68 and name C  ) 1.0 -65.67 20.00 2
assign (resid 68 and name N  )(resid 68 and name CA )
       (resid 68 and name C  )(resid 69 and name N  ) 1.0 -39.77 20.00 2

! Resdiue M 69 DATABASE
assign (resid 68 and name C  )(resid 69 and name N  )
       (resid 69 and name CA )(resid 69 and name C  ) 1.0 -62.35 20.00 2
assign (resid 69 and name N  )(resid 69 and name CA )
       (resid 69 and name C  )(resid 70 and name N  ) 1.0 -41.03 20.00 2

! Resdiue A 70 DATABASE
assign (resid 69 and name C  )(resid 70 and name N  )
       (resid 70 and name CA )(resid 70 and name C  ) 1.0 -66.17 20.00 2
assign (resid 70 and name N  )(resid 70 and name CA )
       (resid 70 and name C  )(resid 71 and name N  ) 1.0 -42.11 20.00 2

! Resdiue E 71 DATABASE
assign (resid 70 and name C  )(resid 71 and name N  )
       (resid 71 and name CA )(resid 71 and name C  ) 1.0 -66.08 20.00 2
assign (resid 71 and name N  )(resid 71 and name CA )
       (resid 71 and name C  )(resid 72 and name N  ) 1.0 -39.18 22.48 2

! Resdiue K 72 DATABASE
assign (resid 71 and name C  )(resid 72 and name N  )
       (resid 72 and name CA )(resid 72 and name C  ) 1.0 -65.35 20.00 2
assign (resid 72 and name N  )(resid 72 and name CA )
       (resid 72 and name C  )(resid 73 and name N  ) 1.0 -37.16 20.00 2

! Resdiue I 73 DATABASE
assign (resid 72 and name C  )(resid 73 and name N  )
       (resid 73 and name CA )(resid 73 and name C  ) 1.0 -68.92 20.00 2
assign (resid 73 and name N  )(resid 73 and name CA )
       (resid 73 and name C  )(resid 74 and name N  ) 1.0 -38.72 20.00 2

! Resdiue I 74 DATABASE
assign (resid 73 and name C  )(resid 74 and name N  )
       (resid 74 and name CA )(resid 74 and name C  ) 1.0 -65.76 20.00 2
assign (resid 74 and name N  )(resid 74 and name CA )
       (resid 74 and name C  )(resid 75 and name N  ) 1.0 -39.17 20.00 2

! Resdiue E 75 DATABASE
assign (resid 74 and name C  )(resid 75 and name N  )
       (resid 75 and name CA )(resid 75 and name C  ) 1.0 -69.29 28.42 2
assign (resid 75 and name N  )(resid 75 and name CA )
       (resid 75 and name C  )(resid 76 and name N  ) 1.0 -39.85 20.00 2

! Resdiue I 76 DATABASE
assign (resid 75 and name C  )(resid 76 and name N  )
       (resid 76 and name CA )(resid 76 and name C  ) 1.0 -65.85 20.00 2
assign (resid 76 and name N  )(resid 76 and name CA )
       (resid 76 and name C  )(resid 77 and name N  ) 1.0 -42.95 20.00 2

! Resdiue L 77 DATABASE
assign (resid 76 and name C  )(resid 77 and name N  )
       (resid 77 and name CA )(resid 77 and name C  ) 1.0 -66.76 20.00 2
assign (resid 77 and name N  )(resid 77 and name CA )
       (resid 77 and name C  )(resid 78 and name N  ) 1.0 -35.79 20.00 2

! Resdiue R 83 DATABASE
assign (resid 82 and name C  )(resid 83 and name N  )
       (resid 83 and name CA )(resid 83 and name C  ) 1.0 -86.78 30.64 2
assign (resid 83 and name N  )(resid 83 and name CA )
       (resid 83 and name C  )(resid 84 and name N  ) 1.0 135.79 50.52 2

! Resdiue K 84 DATABASE
assign (resid 83 and name C  )(resid 84 and name N  )
       (resid 84 and name CA )(resid 84 and name C  ) 1.0 -82.51 28.34 2
assign (resid 84 and name N  )(resid 84 and name CA )
       (resid 84 and name C  )(resid 85 and name N  ) 1.0 133.84 35.98 2

! Resdiue L 85 DATABASE
assign (resid 84 and name C  )(resid 85 and name N  )
       (resid 85 and name CA )(resid 85 and name C  ) 1.0 -92.43 40.30 2
assign (resid 85 and name N  )(resid 85 and name CA )
       (resid 85 and name C  )(resid 86 and name N  ) 1.0 133.24 37.54 2

! Resdiue D 86 DATABASE
assign (resid 85 and name C  )(resid 86 and name N  )
       (resid 86 and name CA )(resid 86 and name C  ) 1.0 -76.53 40.32 2
assign (resid 86 and name N  )(resid 86 and name CA )
       (resid 86 and name C  )(resid 87 and name N  ) 1.0 129.58 55.80 2

set message=on echo=on end

! hbonds  7/2/01 RL, GM

! helices

!not sure of yet
!assign (resid 14 and name o) (resid 18 and name hn) 2.0 0.7 0.5
!assign (resid 14 and name o) (resid 18 and name n) 3.0 0.7 0.5
assign (resid 15 and name o) (resid 19 and name hn) 2.0 0.7 0.5
assign (resid 15 and name o) (resid 19 and name n) 3.0 0.7 0.5
assign (resid 16 and name o) (resid 20 and name hn) 2.0 0.7 0.5
assign (resid 16 and name o) (resid 20 and name n) 3.0 0.7 0.5
assign (resid 17 and name o) (resid 21 and name hn) 2.0 0.7 0.5
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
assign (resid 18 and name o) (resid 22 and name n) 3.0 0.7 0.5
assign (resid 19 and name o) (resid 23 and name hn) 2.0 0.7 0.5
assign (resid 19 and name o) (resid 23 and name n) 3.0 0.7 0.5
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
assign (resid 21 and name o) (resid 25 and name n) 3.0 0.7 0.5
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 33 and name o) (resid 37 and name hn) 2.0 0.7 0.5
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 35 and name o) (resid 39 and name hn) 2.0 0.7 0.5
assign (resid 35 and name o) (resid 39 and name n) 3.0 0.7 0.5
assign (resid 36 and name o) (resid 40 and name hn) 2.0 0.7 0.5
assign (resid 36 and name o) (resid 40 and name n) 3.0 0.7 0.5
assign (resid 37 and name o) (resid 41 and name hn) 2.0 0.7 0.5
assign (resid 37 and name o) (resid 41 and name n) 3.0 0.7 0.5
assign (resid 38 and name o) (resid 42 and name hn) 2.0 0.7 0.5
assign (resid 38 and name o) (resid 42 and name n) 3.0 0.7 0.5
assign (resid 39 and name o) (resid 43 and name hn) 2.0 0.7 0.5
assign (resid 39 and name o) (resid 43 and name n) 3.0 0.7 0.5
assign (resid 40 and name o) (resid 44 and name hn) 2.0 0.7 0.5
assign (resid 40 and name o) (resid 44 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
assign (resid 42 and name o) (resid 46 and name hn) 2.0 0.7 0.5
assign (resid 42 and name o) (resid 46 and name n) 3.0 0.7 0.5
!assign (resid 43 and name o) (resid 47 and name hn) 2.0 0.7 0.5
!assign (resid 43 and name o) (resid 47 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 67 and name o) (resid 71 and name hn) 2.0 0.7 0.5
assign (resid 67 and name o) (resid 71 and name n) 3.0 0.7 0.5
assign (resid 68 and name o) (resid 72 and name hn) 2.0 0.7 0.5
assign (resid 68 and name o) (resid 72 and name n) 3.0 0.7 0.5
assign (resid 69 and name o) (resid 73 and name hn) 2.0 0.7 0.5
assign (resid 69 and name o) (resid 73 and name n) 3.0 0.7 0.5
assign (resid 70 and name o) (resid 74 and name hn) 2.0 0.7 0.5
assign (resid 70 and name o) (resid 74 and name n) 3.0 0.7 0.5
assign (resid 71 and name o) (resid 75 and name hn) 2.0 0.7 0.5
assign (resid 71 and name o) (resid 75 and name n) 3.0 0.7 0.5
assign (resid 72 and name o) (resid 76 and name hn) 2.0 0.7 0.5
assign (resid 72 and name o) (resid 76 and name n) 3.0 0.7 0.5
assign (resid 73 and name o) (resid 77 and name hn) 2.0 0.7 0.5
assign (resid 73 and name o) (resid 77 and name n) 3.0 0.7 0.5
!assign (resid 74 and name o) (resid 78 and name hn) 2.0 0.7 0.5
!assign (resid 74 and name o) (resid 78 and name n) 3.0 0.7 0.5
!assign (resid 75 and name o) (resid 79 and name hn) 2.0 0.7 0.5
!assign (resid 75 and name o) (resid 79 and name n) 3.0 0.7 0.5
!assign (resid 76 and name o) (resid 80 and name hn) 2.0 0.7 0.5
!assign (resid 76 and name o) (resid 80 and name n) 3.0 0.7 0.5

!Manual NOEs
!NOEs to HC

assign (resid 15 and name HD2) (resid 15 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.803
assign (resid 15 and name HD2) (resid 16 and name HG1#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.788
assign (resid 17 and name HG#) (resid 16 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.643
assign (resid 16 and name HB) (resid 17 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1602
assign (resid 17 and name HG#) (resid 17 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.638
assign (resid 17 and name HG#) (resid 18 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.639
assign (resid 21 and name HA) (resid 21 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2084
assign (resid 21 and name HA) (resid 22 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2087
assign (resid 22 and name HA) (resid 22 and name HB) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1311
assign (resid 22 and name HA) (resid 22 and name HG#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1315
assign (resid 22 and name HA) (resid 22 and name HG#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1314
assign (resid 22 and name HA) (resid 22 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1309
assign (resid 22 and name HG#) (resid 22 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.963
assign (resid 22 and name HA) (resid 23 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1308
assign (resid 22 and name HG#) (resid 23 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.962
assign (resid 23 and name HD#) (resid 23 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.512
assign (resid 23 and name HA) (resid 23 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2313
assign (resid 23 and name HD#) (resid 23 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.509
assign (resid 21 and name HA) (resid 24 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2085
assign (resid 23 and name HD#) (resid 24 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.508
assign (resid 22 and name HA) (resid 25 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1307
assign (resid 27 and name HD#) (resid 24 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1947
assign (resid 27 and name HA) (resid 26 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1909
assign (resid 27 and name HD#) (resid 26 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1953
assign (resid 27 and name HA) (resid 27 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1905
assign (resid 27 and name HA) (resid 27 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1903
assign (resid 27 and name HD#) (resid 27 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1945
assign (resid 27 and name HB#) (resid 27 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1921
assign (resid 27 and name HB#) (resid 27 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1910
assign (resid 27 and name HB#) (resid 27 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1920
assign (resid 27 and name HB#) (resid 27 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1892
assign (resid 29 and name HG#) (resid 29 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.842
assign (resid 29 and name HG#) (resid 29 and name HB) 6.000 4.2 0.0 !   C13_CNnoesy_manual.843
assign (resid 29 and name HG#) (resid 29 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.958
assign (resid 29 and name HG#) (resid 30 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.961
assign (resid 27 and name HB#) (resid 32 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1916
assign (resid 32 and name HB#) (resid 27 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1614
assign (resid 27 and name HA) (resid 32 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1904
assign (resid 27 and name HB#) (resid 32 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1914
assign (resid 27 and name HD#) (resid 32 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1949
assign (resid 32 and name HB#) (resid 32 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1600
assign (resid 34 and name HB#) (resid 34 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.247
assign (resid 34 and name HD#) (resid 34 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2594
assign (resid 34 and name HB#) (resid 34 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.245
assign (resid 34 and name HD#) (resid 34 and name HE#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2596
assign (resid 34 and name HB#) (resid 34 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.242
assign (resid 34 and name HD#) (resid 34 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2595
assign (resid 34 and name HB#) (resid 35 and name HG#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2598
assign (resid 35 and name HA) (resid 35 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2172
assign (resid 34 and name HA) (resid 37 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2065
assign (resid 34 and name HB#) (resid 37 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2599
assign (resid 23 and name HD#) (resid 39 and name HE#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.510
assign (resid 39 and name HD#) (resid 39 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2026
assign (resid 39 and name HD#) (resid 39 and name HE#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2025
assign (resid 39 and name HD#) (resid 39 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2023
assign (resid 42 and name HA) (resid 41 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2625
assign (resid 42 and name HA) (resid 42 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2629
assign (resid 42 and name HA) (resid 42 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2623
assign (resid 17 and name HG#) (resid 43 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.649
assign (resid 21 and name HA) (resid 43 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2094
assign (resid 43 and name HD#) (resid 21 and name HG#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1852
assign (resid 43 and name HD#) (resid 21 and name HG#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1851
assign (resid 43 and name HD#) (resid 42 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1857
assign (resid 42 and name HA) (resid 43 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2626
assign (resid 43 and name HD#) (resid 43 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1848
assign (resid 43 and name HD#) (resid 43 and name HG1#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1856
assign (resid 43 and name HG2#) (resid 43 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1465
assign (resid 43 and name HD#) (resid 43 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1853
assign (resid 42 and name HA) (resid 45 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2624
assign (resid 17 and name HG#) (resid 46 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.657
assign (resid 17 and name HG#) (resid 46 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.640
assign (resid 46 and name HD#) (resid 46 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.623
assign (resid 46 and name HD#) (resid 46 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.618
assign (resid 45 and name HA) (resid 48 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.65
assign (resid 46 and name HA) (resid 49 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2304
assign (resid 46 and name HA) (resid 49 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2298
assign (resid 46 and name HD#) (resid 49 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.625
assign (resid 49 and name HB#) (resid 48 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1629
assign (resid 49 and name HB#) (resid 49 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1631
assign (resid 52 and name HA) (resid 12 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1765
assign (resid 52 and name HD#) (resid 12 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2602
assign (resid 52 and name HA) (resid 52 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1767
assign (resid 52 and name HA) (resid 52 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1766
assign (resid 52 and name HD#) (resid 52 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.404
assign (resid 52 and name HA) (resid 52 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2606
assign (resid 52 and name HA) (resid 52 and name HG#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1761
assign (resid 52 and name HD#) (resid 52 and name HG#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.403
assign (resid 53 and name HG#) (resid 16 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.882
assign (resid 52 and name HA) (resid 53 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1763
assign (resid 53 and name HG#) (resid 53 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.883
assign (resid 53 and name HG#) (resid 53 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.879
assign (resid 54 and name HG#) (resid 52 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.929
assign (resid 53 and name HG#) (resid 54 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.901
assign (resid 54 and name HG#) (resid 54 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.925
assign (resid 54 and name HG#) (resid 54 and name HB) 6.000 4.2 0.0 !   C13_CNnoesy_manual.926
assign (resid 54 and name HG#) (resid 54 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.950
assign (resid 53 and name HG#) (resid 55 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.881
assign (resid 54 and name HG#) (resid 55 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.951
assign (resid 56 and name HB#) (resid 56 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1720
assign (resid 56 and name HB#) (resid 56 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1714
assign (resid 56 and name HB#) (resid 56 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1716
assign (resid 56 and name HD#) (resid 56 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1959
assign (resid 56 and name HB#) (resid 56 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1719
assign (resid 56 and name HB#) (resid 56 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1712
assign (resid 57 and name HA) (resid 56 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2611
assign (resid 57 and name HA) (resid 56 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2612
assign (resid 56 and name HD#) (resid 57 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1966
assign (resid 56 and name HB#) (resid 57 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1718
assign (resid 57 and name HA) (resid 57 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2167
assign (resid 57 and name HA) (resid 57 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2166
assign (resid 57 and name HA) (resid 57 and name HG#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2165
assign (resid 57 and name HA) (resid 57 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2161
assign (resid 53 and name HG#) (resid 58 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.906
assign (resid 53 and name HG#) (resid 58 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.902
assign (resid 56 and name HE#) (resid 58 and name HG#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.717
assign (resid 57 and name HA) (resid 58 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2168
assign (resid 53 and name HG#) (resid 59 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.884
assign (resid 59 and name HB#) (resid 59 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1513
assign (resid 59 and name HB#) (resid 59 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1510
assign (resid 59 and name HB#) (resid 60 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1511
assign (resid 60 and name HB#) (resid 60 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.426
assign (resid 60 and name HA) (resid 60 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1881
assign (resid 60 and name HB#) (resid 60 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.442
assign (resid 60 and name HA) (resid 61 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1860
assign (resid 60 and name HB#) (resid 61 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2609
assign (resid 61 and name HA) (resid 61 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2196
assign (resid 45 and name HB#) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1279
assign (resid 62 and name HG2#) (resid 45 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1530
assign (resid 46 and name HA) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2577
assign (resid 46 and name HD#) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.633
assign (resid 46 and name HD#) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2576
assign (resid 62 and name HG2#) (resid 46 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1537
assign (resid 49 and name HB#) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1633
assign (resid 62 and name HD#) (resid 49 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2574
assign (resid 62 and name HG2#) (resid 49 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1541
assign (resid 62 and name HG2#) (resid 49 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2578
assign (resid 53 and name HG#) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.908
assign (resid 59 and name HA) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2508
assign (resid 59 and name HB#) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1516
assign (resid 59 and name HA) (resid 62 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2510
assign (resid 60 and name HA) (resid 62 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1861
assign (resid 61 and name HA) (resid 62 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2197
assign (resid 62 and name HG2#) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1547
assign (resid 62 and name HG2#) (resid 62 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1531
assign (resid 62 and name HG2#) (resid 63 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1532
assign (resid 63 and name HD#) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.352
assign (resid 63 and name HD#) (resid 62 and name HG2#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.351
assign (resid 62 and name HG2#) (resid 63 and name HG#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1533
assign (resid 63 and name HA) (resid 63 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1579
assign (resid 63 and name HA) (resid 64 and name HA#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1574
assign (resid 64 and name HA#) (resid 63 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2592
assign (resid 63 and name HA) (resid 64 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1583
assign (resid 64 and name HA#) (resid 64 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1012
assign (resid 64 and name HA#) (resid 64 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1006
assign (resid 65 and name HD#) (resid 45 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2134
assign (resid 65 and name HD#) (resid 46 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2126
assign (resid 65 and name HG2#) (resid 46 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2580
assign (resid 65 and name HB) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2579
assign (resid 65 and name HB) (resid 62 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2619
assign (resid 65 and name HD#) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2141
assign (resid 65 and name HD#) (resid 62 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2128
assign (resid 65 and name HG1#) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.377
assign (resid 65 and name HG2#) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1451
assign (resid 65 and name HG2#) (resid 62 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2581
assign (resid 62 and name HG2#) (resid 65 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1538
assign (resid 63 and name HA) (resid 65 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1575
assign (resid 65 and name HD#) (resid 64 and name HA#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2130
assign (resid 65 and name HG2#) (resid 64 and name HA#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1439
assign (resid 64 and name HA#) (resid 65 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1014
assign (resid 64 and name HA#) (resid 65 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1007
assign (resid 65 and name HA) (resid 65 and name HB) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1939
assign (resid 65 and name HD#) (resid 65 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2131
assign (resid 65 and name HD#) (resid 65 and name HB) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2132
assign (resid 65 and name HG1#) (resid 65 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.380
assign (resid 65 and name HD#) (resid 65 and name HG1#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2136
assign (resid 65 and name HG1#) (resid 65 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.370
assign (resid 65 and name HG1#) (resid 65 and name HB) 6.000 4.2 0.0 !   C13_CNnoesy_manual.371
assign (resid 65 and name HD#) (resid 65 and name HG1#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2135
assign (resid 65 and name HG1#) (resid 65 and name HG1#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.375
assign (resid 65 and name HG2#) (resid 65 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1440
assign (resid 65 and name HG2#) (resid 65 and name HB) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1442
assign (resid 65 and name HG2#) (resid 65 and name HG1#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1447
assign (resid 65 and name HA) (resid 65 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1938
assign (resid 65 and name HB) (resid 65 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2055
assign (resid 65 and name HD#) (resid 65 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2127
assign (resid 65 and name HG1#) (resid 65 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.379
assign (resid 65 and name HG1#) (resid 65 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.369
assign (resid 65 and name HG2#) (resid 65 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1468
assign (resid 65 and name HA) (resid 66 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1937
assign (resid 65 and name HD#) (resid 66 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2122
assign (resid 65 and name HG2#) (resid 66 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1437
assign (resid 66 and name HA#) (resid 66 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1066
assign (resid 66 and name HA#) (resid 67 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1083
assign (resid 66 and name HA#) (resid 67 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1077
assign (resid 65 and name HD#) (resid 69 and name HG#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2123
assign (resid 65 and name HG2#) (resid 69 and name HG#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1470
assign (resid 70 and name HB#) (resid 56 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1169
assign (resid 56 and name HE#) (resid 70 and name HB#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.700
assign (resid 70 and name HB#) (resid 60 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1167
assign (resid 65 and name HD#) (resid 70 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2125
assign (resid 65 and name HG2#) (resid 70 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1436
assign (resid 70 and name HB#) (resid 70 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1164
assign (resid 56 and name HE#) (resid 71 and name HG#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.697
assign (resid 56 and name HE#) (resid 71 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.692
assign (resid 72 and name HG#) (resid 39 and name HE#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2633
assign (resid 72 and name HG#) (resid 72 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.688
assign (resid 16 and name HG2#) (resid 73 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1196
assign (resid 73 and name HD#) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1705
assign (resid 73 and name HG2#) (resid 62 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2583
assign (resid 73 and name HD#) (resid 73 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1686
assign (resid 74 and name HD#) (resid 55 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2285
assign (resid 56 and name HD#) (resid 74 and name HB) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1967
assign (resid 56 and name HB#) (resid 74 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1717
assign (resid 56 and name HD#) (resid 74 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1968
assign (resid 56 and name HB#) (resid 74 and name HG1#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2573
assign (resid 56 and name HD#) (resid 74 and name HG2#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1942
assign (resid 74 and name HD#) (resid 74 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2287
assign (resid 74 and name HD#) (resid 74 and name HG1#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2291
assign (resid 74 and name HG1#) (resid 74 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.285
assign (resid 74 and name HG1#) (resid 74 and name HG1#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.288
assign (resid 74 and name HD#) (resid 74 and name HG2#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.2584
assign (resid 74 and name HG1#) (resid 74 and name HG2#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.289
assign (resid 74 and name HG1#) (resid 74 and name HN) 6.000 4.2 0.0 !   C13_CNnoesy_manual.283
assign (resid 76 and name HG2#) (resid 15 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1365
assign (resid 16 and name HG2#) (resid 76 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1195
assign (resid 76 and name HA) (resid 76 and name HB) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1523
assign (resid 76 and name HG2#) (resid 76 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1367
assign (resid 77 and name HD#) (resid 15 and name HD#) 6.000 4.2 0.0 !   C13_CNnoesy_manual.608
assign (resid 76 and name HA) (resid 77 and name HA) 6.000 4.2 0.0 !   C13_CNnoesy_manual.1521

!Manual NOEs
!NOEs to HN

assign (resid 27 and name HN) (resid 26 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.622
assign (resid 27 and name HN) (resid 26 and name HN) 6.000 4.2 0.0 !   N15_CNnoesy.617
assign (resid 27 and name HN) (resid 27 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.621
assign (resid 27 and name HN) (resid 27 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.615
assign (resid 27 and name HN) (resid 27 and name HD#) 6.000 4.2 0.0 !   N15_CNnoesy.618
assign (resid 34 and name HE#) (resid 34 and name HD#)6.000 4.2 0.0 !   N15_CNnoesy.17
assign (resid 43 and name HN) (resid 42 and name HN) 6.000 4.2 0.0 !   N15_CNnoesy.486
assign (resid 43 and name HN) (resid 44 and name HN) 6.000 4.2 0.0 !   N15_CNnoesy.485
assign (resid 57 and name HN) (resid 55 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.443
assign (resid 57 and name HN) (resid 56 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.481
assign (resid 57 and name HN) (resid 56 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.441
assign (resid 57 and name HN) (resid 56 and name HD#)6.000 4.2 0.0 !   N15_CNnoesy.439
assign (resid 57 and name HN) (resid 57 and name HA) 6.000 4.2 0.0 !   N15_CNnoesy.480
assign (resid 57 and name HN) (resid 57 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.446
assign (resid 57 and name HN) (resid 57 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.442
assign (resid 57 and name HN) (resid 57 and name HG#) 6.000 4.2 0.0 !   N15_CNnoesy.445
assign (resid 57 and name HN) (resid 58 and name HN) 6.000 4.2 0.0 !   N15_CNnoesy.479
assign (resid 60 and name HN) (resid 59 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.856
assign (resid 60 and name HN) (resid 59 and name HN) 6.000 4.2 0.0 !   N15_CNnoesy.845
assign (resid 60 and name HN) (resid 60 and name HA) 6.000 4.2 0.0 !   N15_CNnoesy.852
assign (resid 60 and name HN) (resid 60 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.854
assign (resid 60 and name HN) (resid 60 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.853
assign (resid 61 and name HN) (resid 59 and name HN) 6.000 4.2 0.0 !   N15_CNnoesy.693
assign (resid 61 and name HN) (resid 60 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.701
assign (resid 61 and name HN) (resid 60 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.700
assign (resid 61 and name HN) (resid 60 and name HN) 6.000 4.2 0.0 !   N15_CNnoesy.694
assign (resid 61 and name HN) (resid 61 and name HA) 6.000 4.2 0.0 !   N15_CNnoesy.698
assign (resid 61 and name HN) (resid 61 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.699
assign (resid 62 and name HN) (resid 59 and name HB#) 6.000 4.2 0.0 !   N15_CNnoesy.50
assign (resid 62 and name HN) (resid 60 and name HN) 6.000 4.2 0.0 !   N15_CNnoesy.39
assign (resid 61 and name HN) (resid 62 and name HD#) 6.000 4.2 0.0 !   N15_CNnoesy.704
assign (resid 62 and name HN) (resid 61 and name HA) 6.000 4.2 0.0 !   N15_CNnoesy.45
assign (resid 62 and name HN) (resid 61 and name HN) 6.000 4.2 0.0 !   N15_CNnoesy.40
assign (resid 62 and name HN) (resid 62 and name HD#) 6.000 4.2 0.0 !   N15_CNnoesy.53
assign (resid 64 and name HN) (resid 64 and name HA#) 6.000 4.2 0.0 !   N15_CNnoesy.830
assign (resid 64 and name HN) (resid 64 and name HA#) 6.000 4.2 0.0 !   N15_CNnoesy.829
assign (resid 62 and name HN) (resid 65 and name HB) 6.000 4.2 0.0 !   N15_CNnoesy.48
assign (resid 65 and name HN) (resid 64 and name HA#) 6.000 4.2 0.0 !   N15_CNnoesy.346
assign (resid 65 and name HN) (resid 64 and name HA#) 6.000 4.2 0.0 !   N15_CNnoesy.893
assign (resid 64 and name HN) (resid 65 and name HN) 6.000 4.2 0.0 !   N15_CNnoesy.889
assign (resid 65 and name HN) (resid 65 and name HA) 6.000 4.2 0.0 !   N15_CNnoesy.342
assign (resid 65 and name HN) (resid 65 and name HB) 6.000 4.2 0.0 !   N15_CNnoesy.343
assign (resid 65 and name HN) (resid 65 and name HG1#) 6.000 4.2 0.0 !   N15_CNnoesy.349
assign (resid 65 and name HN) (resid 65 and name HG1#) 6.000 4.2 0.0 !   N15_CNnoesy.347
assign (resid 66 and name HN) (resid 65 and name HB) 6.000 4.2 0.0 !   N15_CNnoesy.805
assign (resid 66 and name HN) (resid 65 and name HG1#) 6.000 4.2 0.0 !   N15_CNnoesy.809
assign (resid 66 and name HN) (resid 65 and name HG1#) 6.000 4.2 0.0 !   N15_CNnoesy.808
assign (resid 66 and name HN) (resid 65 and name HN) 6.000 4.2 0.0 !   N15_CNnoesy.801
assign (resid 66 and name HN) (resid 66 and name HA#) 6.000 4.2 0.0 !   N15_CNnoesy.804
assign (resid 66 and name HN) (resid 66 and name HA#) 6.000 4.2 0.0 !   N15_CNnoesy.803
assign (resid 66 and name HN) (resid 69 and name HG#) 6.000 4.2 0.0 !   N15_CNnoesy.891
assign (resid 73 and name HN) (resid 73 and name HG2#) 6.000 4.2 0.0 !   N15_CNnoesy.371

set message=off echo=off end
! ############### C13_CNnoesy_manual.0 folded +
assi (attr store1 < 3.51 and attr store1 > 3.41 )
     ((attr store1 < 3.493 and attr store1 > 3.433 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 0 volume 6.69648 ppm1 3.463 ppm2 3.460
 
! ############### C13_CNnoesy_manual.1 folded +
assi (attr store1 < 3.393 and attr store1 > 3.293 )
     ((attr store1 < 3.423 and attr store1 > 3.363 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 1 volume 8.06556 ppm1 3.393 ppm2 3.343
 
! ############### C13_CNnoesy_manual.2 folded +
assi (attr store1 < 3.409 and attr store1 > 3.309 )
     ((attr store1 < 3.399 and attr store1 > 3.339 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 2 volume 18.18418 ppm1 3.369 ppm2 3.359
 
! ############### C13_CNnoesy_manual.3 folded +
assi (attr store1 < 2.658 and attr store1 > 2.558 )
     ((attr store1 < 3.162 and attr store1 > 3.102 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 3 volume 5.96099 ppm1 3.132 ppm2 2.608
 
! ############### C13_CNnoesy_manual.4 folded +
assi (attr store1 < 3.645 and attr store1 > 3.545 )
     ((attr store1 < 3.068 and attr store1 > 3.008 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 4 volume 9.51944 ppm1 3.038 ppm2 3.595
 
! ############### C13_CNnoesy_manual.5 folded +
assi (attr store1 < 3.097 and attr store1 > 2.997 )
     ((attr store1 < 3.071 and attr store1 > 3.011 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 5 volume 64.98389 ppm1 3.041 ppm2 3.047
 
! ############### C13_CNnoesy_manual.6 folded +
assi (attr store1 < 2.71 and attr store1 > 2.61 )
     ((attr store1 < 3.063 and attr store1 > 3.003 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 6 volume 64.20000 ppm1 3.033 ppm2 2.660
 
! ############### C13_CNnoesy_manual.7 folded +
assi (attr store1 < 2.293 and attr store1 > 2.193 )
     ((attr store1 < 3.046 and attr store1 > 2.986 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 7 volume 22.16007 ppm1 3.016 ppm2 2.243
 
! ############### C13_CNnoesy_manual.8 folded +
assi (attr store1 < 2.948 and attr store1 > 2.848 )
     ((attr store1 < 2.938 and attr store1 > 2.878 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 8 volume 25.68525 ppm1 2.908 ppm2 2.898
 
! ############### C13_CNnoesy_manual.9 folded +
assi (attr store1 < 2.882 and attr store1 > 2.782 )
     ((attr store1 < 2.861 and attr store1 > 2.801 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 9 volume 21.99326 ppm1 2.831 ppm2 2.832
 
! ############### C13_CNnoesy_manual.10 folded +
assi (attr store1 < 2.877 and attr store1 > 2.777 )
     ((attr store1 < 2.809 and attr store1 > 2.749 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 10 volume 19.89220 ppm1 2.779 ppm2 2.827
 
! ############### C13_CNnoesy_manual.11 folded +
assi (attr store1 < 3.11 and attr store1 > 3.01 )
     ((attr store1 < 2.793 and attr store1 > 2.733 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 11 volume 5.72685 ppm1 2.763 ppm2 3.060
 
! ############### C13_CNnoesy_manual.12 folded +
assi (attr store1 < 4.551 and attr store1 > 4.451 )
     ((attr store1 < 2.692 and attr store1 > 2.632 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 12 volume 12.50294 ppm1 2.662 ppm2 4.501
 
! ############### C13_CNnoesy_manual.13 folded +
assi (attr store1 < 3.086 and attr store1 > 2.986 )
     ((attr store1 < 2.69 and attr store1 > 2.63 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 13 volume 64.51051 ppm1 2.660 ppm2 3.036
 
! ############### C13_CNnoesy_manual.14 folded +
assi (attr store1 < 2.708 and attr store1 > 2.608 )
     ((attr store1 < 2.69 and attr store1 > 2.63 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 14 volume 71.55047 ppm1 2.660 ppm2 2.658
 
! ############### C13_CNnoesy_manual.15 folded +
assi (attr store1 < 2.645 and attr store1 > 2.545 )
     ((attr store1 < 2.627 and attr store1 > 2.567 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 15 volume 16.24276 ppm1 2.597 ppm2 2.595
 
! ############### C13_CNnoesy_manual.16 folded +
assi (attr store1 < 4.24 and attr store1 > 4.14 )
     ((attr store1 < 1.729 and attr store1 > 1.669 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 16 volume 27.99918 ppm1 1.699 ppm2 4.190
 
! ############### C13_CNnoesy_manual.17 folded +
assi (attr store1 < 3.699 and attr store1 > 3.599 )
     ((attr store1 < 1.728 and attr store1 > 1.668 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 17 volume 28.06384 ppm1 1.698 ppm2 3.649
 
! ############### C13_CNnoesy_manual.18 folded +
assi (attr store1 < 1.382 and attr store1 > 1.282 )
     ((attr store1 < 1.726 and attr store1 > 1.666 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 18 volume 93.04764 ppm1 1.696 ppm2 1.332
 
! ############### C13_CNnoesy_manual.19 folded +
assi (attr store1 < 0.877 and attr store1 > 0.777 )
     ((attr store1 < 1.727 and attr store1 > 1.667 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 19 volume 16.65111 ppm1 1.697 ppm2 0.827
 
! ############### C13_CNnoesy_manual.20 folded +
assi (attr store1 < 0.363 and attr store1 > 0.263 )
     ((attr store1 < 1.729 and attr store1 > 1.669 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 20 volume 13.78725 ppm1 1.699 ppm2 0.313
 
! ############### C13_CNnoesy_manual.21 folded +
assi (attr store1 < 1.727 and attr store1 > 1.627 )
     ((attr store1 < 1.695 and attr store1 > 1.635 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 21 volume 73.73898 ppm1 1.665 ppm2 1.677
 
! ############### C13_CNnoesy_manual.22 folded +
assi (attr store1 < 3.059 and attr store1 > 2.959 )
     ((attr store1 < 1.372 and attr store1 > 1.312 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 22 volume 16.12732 ppm1 1.342 ppm2 3.009
 
! ############### C13_CNnoesy_manual.23 folded +
assi (attr store1 < 3.706 and attr store1 > 3.606 )
     ((attr store1 < 1.362 and attr store1 > 1.302 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 23 volume 20.13418 ppm1 1.332 ppm2 3.656
 
! ############### C13_CNnoesy_manual.24 folded +
assi (attr store1 < 1.75 and attr store1 > 1.65 )
     ((attr store1 < 1.362 and attr store1 > 1.302 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 24 volume 96.09860 ppm1 1.332 ppm2 1.700
 
! ############### C13_CNnoesy_manual.25 folded +
assi (attr store1 < 1.398 and attr store1 > 1.298 )
     ((attr store1 < 1.362 and attr store1 > 1.302 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 25 volume 194.98044 ppm1 1.332 ppm2 1.348
 
! ############### C13_CNnoesy_manual.26 folded +
assi (attr store1 < 0.876 and attr store1 > 0.776 )
     ((attr store1 < 1.364 and attr store1 > 1.304 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 26 volume 20.10108 ppm1 1.334 ppm2 0.826
 
! ############### C13_CNnoesy_manual.27 folded +
assi (attr store1 < 0.352 and attr store1 > 0.252 )
     ((attr store1 < 1.361 and attr store1 > 1.301 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 27 volume 15.62638 ppm1 1.331 ppm2 0.302
 
! ############### C13_CNnoesy_manual.28 folded +
assi (attr store1 < 1.041 and attr store1 > 0.941 )
     ((attr store1 < 1.029 and attr store1 > 0.969 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 28 volume 165.81053 ppm1 0.999 ppm2 0.991
 
! ############### C13_CNnoesy_manual.29 folded +
assi (attr store1 < 1.005 and attr store1 > 0.905 )
     ((attr store1 < 0.987 and attr store1 > 0.927 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 29 volume 94.47338 ppm1 0.957 ppm2 0.955
 
! ############### C13_CNnoesy_manual.30 folded +
assi (attr store1 < 0.865 and attr store1 > 0.765 )
     ((attr store1 < 0.864 and attr store1 > 0.804 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 30 volume 26.92943 ppm1 0.834 ppm2 0.815
 
! ############### C13_CNnoesy_manual.31 folded +
assi (attr store1 < 0.945 and attr store1 > 0.845 )
     ((attr store1 < 0.825 and attr store1 > 0.765 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 31 volume 31.39035 ppm1 0.795 ppm2 0.895
 
! ############### C13_CNnoesy_manual.32 folded +
assi (attr store1 < 0.842 and attr store1 > 0.742 )
     ((attr store1 < 0.819 and attr store1 > 0.759 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 32 volume 85.98132 ppm1 0.789 ppm2 0.792
 
! ############### C13_CNnoesy_manual.33 folded +
assi (attr store1 < 0.144 and attr store1 > 0.044 )
     ((attr store1 < 0.121 and attr store1 > 0.061 ) and 
      (bondedto (attr store1 < 127.109722631  and attr store1 > 126.309722631 ) or 
       bondedto (attr store1 < 79.367  and attr store1 > 78.567 ) or 
       bondedto (attr store1 < 31.6242773688  and attr store1 > 30.8242773688 ))) 
6 0.1 0.1 peak 33 volume 33.20530 ppm1 0.091 ppm2 0.094
 
! ############### C13_CNnoesy_manual.34 folded -
assi (attr store1 < 8.392 and attr store1 > 8.292 )
     ((attr store1 < 4.465 and attr store1 > 4.405 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 34 volume 8.86312 ppm1 4.435 ppm2 8.342
 
! ############### C13_CNnoesy_manual.35 folded -
assi (attr store1 < 1.732 and attr store1 > 1.632 )
     ((attr store1 < 4.463 and attr store1 > 4.403 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 35 volume 63.14117 ppm1 4.433 ppm2 1.682
 
! ############### C13_CNnoesy_manual.36 folded -
assi (attr store1 < 1.007 and attr store1 > 0.907 )
     ((attr store1 < 4.463 and attr store1 > 4.403 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 36 volume 59.77304 ppm1 4.433 ppm2 0.957
 
! ############### C13_CNnoesy_manual.37 folded -
assi (attr store1 < 8.735 and attr store1 > 8.635 )
     ((attr store1 < 4.081 and attr store1 > 4.021 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 37 volume 8.84848 ppm1 4.051 ppm2 8.685
 
! ############### C13_CNnoesy_manual.38 folded -
assi (attr store1 < 8.462 and attr store1 > 8.362 )
     ((attr store1 < 4.081 and attr store1 > 4.021 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 38 volume 7.94928 ppm1 4.051 ppm2 8.412
 
! ############### C13_CNnoesy_manual.39 folded -
assi (attr store1 < 8.069 and attr store1 > 7.969 )
     ((attr store1 < 4.085 and attr store1 > 4.025 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 39 volume 19.12857 ppm1 4.055 ppm2 8.019
 
! ############### C13_CNnoesy_manual.40 folded -
assi (attr store1 < 7.787 and attr store1 > 7.687 )
     ((attr store1 < 4.086 and attr store1 > 4.026 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 40 volume 34.26219 ppm1 4.056 ppm2 7.737
 
! ############### C13_CNnoesy_manual.41 folded -
assi (attr store1 < 4.103 and attr store1 > 4.003 )
     ((attr store1 < 4.085 and attr store1 > 4.025 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 41 volume 587.19708 ppm1 4.055 ppm2 4.053
 
! ############### C13_CNnoesy_manual.42 folded -
assi (attr store1 < 1.589 and attr store1 > 1.489 )
     ((attr store1 < 4.086 and attr store1 > 4.026 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 42 volume 150.6442 ppm1 4.056 ppm2 1.539
 
! ############### C13_CNnoesy_manual.43 folded -
assi (attr store1 < 1.402 and attr store1 > 1.302 )
     ((attr store1 < 4.084 and attr store1 > 4.024 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 43 volume 14.83608 ppm1 4.054 ppm2 1.352
 
! ############### C13_CNnoesy_manual.44 folded -
assi (attr store1 < 0.958 and attr store1 > 0.858 )
     ((attr store1 < 4.081 and attr store1 > 4.021 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 44 volume 23.297 ppm1 4.051 ppm2 0.908
 
! ############### C13_CNnoesy_manual.45 folded -
assi (attr store1 < 0.802 and attr store1 > 0.702 )
     ((attr store1 < 4.086 and attr store1 > 4.026 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 45 volume 53.46571 ppm1 4.056 ppm2 0.752
 
! ############### C13_CNnoesy_manual.46 folded -
assi (attr store1 < 1.753 and attr store1 > 1.653 )
     ((attr store1 < 4.078 and attr store1 > 4.018 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 46 volume 6.60709 ppm1 4.048 ppm2 1.703
 
! ############### C13_CNnoesy_manual.47 folded -
assi (attr store1 < 3.841 and attr store1 > 3.741 )
     ((attr store1 < 3.926 and attr store1 > 3.866 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 47 volume 20.06564 ppm1 3.896 ppm2 3.791
 
! ############### C13_CNnoesy_manual.48 folded -
assi (attr store1 < 8.201 and attr store1 > 8.101 )
     ((attr store1 < 3.848 and attr store1 > 3.788 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 48 volume 16.13813 ppm1 3.818 ppm2 8.151
 
! ############### C13_CNnoesy_manual.49 folded -
assi (attr store1 < 7.885 and attr store1 > 7.785 )
     ((attr store1 < 3.852 and attr store1 > 3.792 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 49 volume 6.52217 ppm1 3.822 ppm2 7.835
 
! ############### C13_CNnoesy_manual.50 folded -
assi (attr store1 < 3.869 and attr store1 > 3.769 )
     ((attr store1 < 3.849 and attr store1 > 3.789 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 50 volume 333.84317 ppm1 3.819 ppm2 3.819
 
! ############### C13_CNnoesy_manual.51 folded -
assi (attr store1 < 1.624 and attr store1 > 1.524 )
     ((attr store1 < 3.849 and attr store1 > 3.789 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 51 volume 16.92715 ppm1 3.819 ppm2 1.574
 
! ############### C13_CNnoesy_manual.52 folded -
assi (attr store1 < 1.428 and attr store1 > 1.328 )
     ((attr store1 < 3.847 and attr store1 > 3.787 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 52 volume 60.03887 ppm1 3.817 ppm2 1.378
 
! ############### C13_CNnoesy_manual.53 folded -
assi (attr store1 < 0.931 and attr store1 > 0.831 )
     ((attr store1 < 3.848 and attr store1 > 3.788 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 53 volume 31.22588 ppm1 3.818 ppm2 0.881
 
! ############### C13_CNnoesy_manual.54 folded -
assi (attr store1 < 0.136 and attr store1 > 0.036 )
     ((attr store1 < 3.848 and attr store1 > 3.788 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 54 volume 31.70898 ppm1 3.818 ppm2 0.086
 
! ############### C13_CNnoesy_manual.55 folded -
assi (attr store1 < 3.403 and attr store1 > 3.303 )
     ((attr store1 < 3.383 and attr store1 > 3.323 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 55 volume 30.17223 ppm1 3.353 ppm2 3.353
 
! ############### C13_CNnoesy_manual.56 folded -
assi (attr store1 < 3.44 and attr store1 > 3.34 )
     ((attr store1 < 3.345 and attr store1 > 3.285 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 56 volume 5.65189 ppm1 3.315 ppm2 3.390
 
! ############### C13_CNnoesy_manual.57 folded -
assi (attr store1 < 2.874 and attr store1 > 2.774 )
     ((attr store1 < 2.833 and attr store1 > 2.773 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 57 volume 10.5884 ppm1 2.803 ppm2 2.824
 
! ############### C13_CNnoesy_manual.58 folded -
assi (attr store1 < 1.177 and attr store1 > 1.077 )
     ((attr store1 < 1.144 and attr store1 > 1.084 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 58 volume 66.07497 ppm1 1.114 ppm2 1.127
 
! ############### C13_CNnoesy_manual.59 folded +
assi (attr store1 < 3.283 and attr store1 > 3.183 )
     ((attr store1 < 3.271 and attr store1 > 3.211 ) and 
      (bondedto (attr store1 < 126.906722631  and attr store1 > 126.106722631 ) or 
       bondedto (attr store1 < 79.164  and attr store1 > 78.364 ) or 
       bondedto (attr store1 < 31.4212773688  and attr store1 > 30.6212773688 ))) 
6 0.1 0.1 peak 59 volume 1113.78149 ppm1 3.241 ppm2 3.233
 
! ############### C13_CNnoesy_manual.60 folded +
assi (attr store1 < 2.631 and attr store1 > 2.531 )
     ((attr store1 < 1.949 and attr store1 > 1.889 ) and 
      (bondedto (attr store1 < 126.886722631  and attr store1 > 126.086722631 ) or 
       bondedto (attr store1 < 79.144  and attr store1 > 78.344 ) or 
       bondedto (attr store1 < 31.4012773688  and attr store1 > 30.6012773688 ))) 
6 0.1 0.1 peak 60 volume 17.07629 ppm1 1.919 ppm2 2.581
 
! ############### C13_CNnoesy_manual.61 folded +
assi (attr store1 < 1.947 and attr store1 > 1.847 )
     ((attr store1 < 1.951 and attr store1 > 1.891 ) and 
      (bondedto (attr store1 < 126.902722631  and attr store1 > 126.102722631 ) or 
       bondedto (attr store1 < 79.16  and attr store1 > 78.36 ) or 
       bondedto (attr store1 < 31.4172773688  and attr store1 > 30.6172773688 ))) 
6 0.1 0.1 peak 61 volume 911.56842 ppm1 1.921 ppm2 1.897
 
! ############### C13_CNnoesy_manual.62 folded +
assi (attr store1 < 1.95 and attr store1 > 1.85 )
     ((attr store1 < 1.925 and attr store1 > 1.865 ) and 
      (bondedto (attr store1 < 126.899722631  and attr store1 > 126.099722631 ) or 
       bondedto (attr store1 < 79.157  and attr store1 > 78.357 ) or 
       bondedto (attr store1 < 31.4142773688  and attr store1 > 30.6142773688 ))) 
6 0.1 0.1 peak 62 volume 805.31647 ppm1 1.895 ppm2 1.900
 
! ############### C13_CNnoesy_manual.63 folded -
assi (attr store1 < 8.07 and attr store1 > 7.97 )
     ((attr store1 < 4.302 and attr store1 > 4.242 ) and 
      (bondedto (attr store1 < 150.788083947  and attr store1 > 149.988083947 ) or 
       bondedto (attr store1 < 55.3026386844  and attr store1 > 54.5026386844 ))) 
6 0.1 0.1 peak 63 volume 40.5579 ppm1 4.272 ppm2 8.020
 
! ############### C13_CNnoesy_manual.64 folded -
assi (attr store1 < 8.473 and attr store1 > 8.373 )
     ((attr store1 < 4.297 and attr store1 > 4.237 ) and 
      (bondedto (attr store1 < 150.780083947  and attr store1 > 149.980083947 ) or 
       bondedto (attr store1 < 55.2946386844  and attr store1 > 54.4946386844 ))) 
6 0.1 0.1 peak 64 volume 9.94212 ppm1 4.267 ppm2 8.423
 
! ############### C13_CNnoesy_manual.65 folded -
assi (attr store1 < 7.459 and attr store1 > 7.359 )
     ((attr store1 < 4.3 and attr store1 > 4.24 ) and 
      (bondedto (attr store1 < 150.825083947  and attr store1 > 150.025083947 ) or 
       bondedto (attr store1 < 55.3396386844  and attr store1 > 54.5396386844 ))) 
6 0.1 0.1 peak 65 volume 8.55492 ppm1 4.270 ppm2 7.409
 
! ############### C13_CNnoesy_manual.66 folded -
assi (attr store1 < 4.321 and attr store1 > 4.221 )
     ((attr store1 < 4.301 and attr store1 > 4.241 ) and 
      (bondedto (attr store1 < 150.791083947  and attr store1 > 149.991083947 ) or 
       bondedto (attr store1 < 55.3056386844  and attr store1 > 54.5056386844 ))) 
6 0.1 0.1 peak 66 volume 719.67047 ppm1 4.271 ppm2 4.271
 
! ############### C13_CNnoesy_manual.67 folded -
assi (attr store1 < 1.616 and attr store1 > 1.516 )
     ((attr store1 < 4.299 and attr store1 > 4.239 ) and 
      (bondedto (attr store1 < 150.800083947  and attr store1 > 150.000083947 ) or 
       bondedto (attr store1 < 55.3146386844  and attr store1 > 54.5146386844 ))) 
6 0.1 0.1 peak 67 volume 149.41623 ppm1 4.269 ppm2 1.566
 
! ############### C13_CNnoesy_manual.68 folded -
assi (attr store1 < 0.803 and attr store1 > 0.703 )
     ((attr store1 < 4.299 and attr store1 > 4.239 ) and 
      (bondedto (attr store1 < 150.810083947  and attr store1 > 150.010083947 ) or 
       bondedto (attr store1 < 55.3246386844  and attr store1 > 54.5246386844 ))) 
6 0.1 0.1 peak 68 volume 16.98337 ppm1 4.269 ppm2 0.753
 
! ############### C13_CNnoesy_manual.69 folded +
assi (attr store1 < 3.238 and attr store1 > 3.138 )
     ((attr store1 < 3.187 and attr store1 > 3.127 ) and 
      (bondedto (attr store1 < 126.814722631  and attr store1 > 126.014722631 ) or 
       bondedto (attr store1 < 79.072  and attr store1 > 78.272 ) or 
       bondedto (attr store1 < 31.3292773688  and attr store1 > 30.5292773688 ))) 
6 0.1 0.1 peak 69 volume 386.89343 ppm1 3.157 ppm2 3.188
 
! ############### C13_CNnoesy_manual.70 folded +
assi (attr store1 < 4.58 and attr store1 > 4.48 )
     ((attr store1 < 3.041 and attr store1 > 2.981 ) and 
      (bondedto (attr store1 < 126.822722631  and attr store1 > 126.022722631 ) or 
       bondedto (attr store1 < 79.08  and attr store1 > 78.28 ) or 
       bondedto (attr store1 < 31.3372773688  and attr store1 > 30.5372773688 ))) 
6 0.1 0.1 peak 70 volume 34.89667 ppm1 3.011 ppm2 4.530
 
! ############### C13_CNnoesy_manual.71 folded +
assi (attr store1 < 7.84 and attr store1 > 7.74 )
     ((attr store1 < 2.283 and attr store1 > 2.223 ) and 
      (bondedto (attr store1 < 126.853722631  and attr store1 > 126.053722631 ) or 
       bondedto (attr store1 < 79.111  and attr store1 > 78.311 ) or 
       bondedto (attr store1 < 31.3682773688  and attr store1 > 30.5682773688 ))) 
6 0.1 0.1 peak 71 volume 20.67175 ppm1 2.253 ppm2 7.790
 
! ############### C13_CNnoesy_manual.72 folded +
assi (attr store1 < 4.12 and attr store1 > 4.02 )
     ((attr store1 < 2.284 and attr store1 > 2.224 ) and 
      (bondedto (attr store1 < 126.833722631  and attr store1 > 126.033722631 ) or 
       bondedto (attr store1 < 79.091  and attr store1 > 78.291 ) or 
       bondedto (attr store1 < 31.3482773688  and attr store1 > 30.5482773688 ))) 
6 0.1 0.1 peak 72 volume 23.09211 ppm1 2.254 ppm2 4.070
 
! ############### C13_CNnoesy_manual.73 folded +
assi (attr store1 < 7.684 and attr store1 > 7.584 )
     ((attr store1 < 2.278 and attr store1 > 2.218 ) and 
      (bondedto (attr store1 < 126.823722631  and attr store1 > 126.023722631 ) or 
       bondedto (attr store1 < 79.081  and attr store1 > 78.281 ) or 
       bondedto (attr store1 < 31.3382773688  and attr store1 > 30.5382773688 ))) 
6 0.1 0.1 peak 73 volume 14.96320 ppm1 2.248 ppm2 7.634
 
! ############### C13_CNnoesy_manual.74 folded +
assi (attr store1 < 2.288 and attr store1 > 2.188 )
     ((attr store1 < 2.275 and attr store1 > 2.215 ) and 
      (bondedto (attr store1 < 126.824722631  and attr store1 > 126.024722631 ) or 
       bondedto (attr store1 < 79.082  and attr store1 > 78.282 ) or 
       bondedto (attr store1 < 31.3392773688  and attr store1 > 30.5392773688 ))) 
6 0.1 0.1 peak 74 volume 270.52725 ppm1 2.245 ppm2 2.238
 
! ############### C13_CNnoesy_manual.75 folded +
assi (attr store1 < 0.929 and attr store1 > 0.829 )
     ((attr store1 < 2.282 and attr store1 > 2.222 ) and 
      (bondedto (attr store1 < 126.786722631  and attr store1 > 125.986722631 ) or 
       bondedto (attr store1 < 79.044  and attr store1 > 78.244 ) or 
       bondedto (attr store1 < 31.3012773688  and attr store1 > 30.5012773688 ))) 
6 0.1 0.1 peak 75 volume 19.93215 ppm1 2.252 ppm2 0.879
 
! ############### C13_CNnoesy_manual.76 folded +
assi (attr store1 < 8.06 and attr store1 > 7.96 )
     ((attr store1 < 2.186 and attr store1 > 2.126 ) and 
      (bondedto (attr store1 < 126.791722631  and attr store1 > 125.991722631 ) or 
       bondedto (attr store1 < 79.049  and attr store1 > 78.249 ) or 
       bondedto (attr store1 < 31.3062773688  and attr store1 > 30.5062773688 ))) 
6 0.1 0.1 peak 76 volume 15.73400 ppm1 2.156 ppm2 8.010
 
! ############### C13_CNnoesy_manual.77 folded +
assi (attr store1 < 0.922 and attr store1 > 0.822 )
     ((attr store1 < 2.186 and attr store1 > 2.126 ) and 
      (bondedto (attr store1 < 126.801722631  and attr store1 > 126.001722631 ) or 
       bondedto (attr store1 < 79.059  and attr store1 > 78.259 ) or 
       bondedto (attr store1 < 31.3162773688  and attr store1 > 30.5162773688 ))) 
6 0.1 0.1 peak 77 volume 33.43319 ppm1 2.156 ppm2 0.872
 
! ############### C13_CNnoesy_manual.78 folded +
assi (attr store1 < 0.815 and attr store1 > 0.715 )
     ((attr store1 < 2.183 and attr store1 > 2.123 ) and 
      (bondedto (attr store1 < 126.810722631  and attr store1 > 126.010722631 ) or 
       bondedto (attr store1 < 79.068  and attr store1 > 78.268 ) or 
       bondedto (attr store1 < 31.3252773688  and attr store1 > 30.5252773688 ))) 
6 0.1 0.1 peak 78 volume 26.10420 ppm1 2.153 ppm2 0.765
 
! ############### C13_CNnoesy_manual.79 folded +
assi (attr store1 < 8.196 and attr store1 > 8.096 )
     ((attr store1 < 2.173 and attr store1 > 2.113 ) and 
      (bondedto (attr store1 < 126.827722631  and attr store1 > 126.027722631 ) or 
       bondedto (attr store1 < 79.085  and attr store1 > 78.285 ) or 
       bondedto (attr store1 < 31.3422773688  and attr store1 > 30.5422773688 ))) 
6 0.1 0.1 peak 79 volume 16.05463 ppm1 2.143 ppm2 8.146
 
! ############### C13_CNnoesy_manual.80 folded +
assi (attr store1 < 4.118 and attr store1 > 4.018 )
     ((attr store1 < 2.169 and attr store1 > 2.109 ) and 
      (bondedto (attr store1 < 126.831722631  and attr store1 > 126.031722631 ) or 
       bondedto (attr store1 < 79.089  and attr store1 > 78.289 ) or 
       bondedto (attr store1 < 31.3462773688  and attr store1 > 30.5462773688 ))) 
6 0.1 0.1 peak 80 volume 28.54539 ppm1 2.139 ppm2 4.068
 
! ############### C13_CNnoesy_manual.81 folded +
assi (attr store1 < 1.399 and attr store1 > 1.299 )
     ((attr store1 < 2.177 and attr store1 > 2.117 ) and 
      (bondedto (attr store1 < 126.809722631  and attr store1 > 126.009722631 ) or 
       bondedto (attr store1 < 79.067  and attr store1 > 78.267 ) or 
       bondedto (attr store1 < 31.3242773688  and attr store1 > 30.5242773688 ))) 
6 0.1 0.1 peak 81 volume 25.39082 ppm1 2.147 ppm2 1.349
 
! ############### C13_CNnoesy_manual.82 folded +
assi (attr store1 < 7.842 and attr store1 > 7.742 )
     ((attr store1 < 2.163 and attr store1 > 2.103 ) and 
      (bondedto (attr store1 < 126.844722631  and attr store1 > 126.044722631 ) or 
       bondedto (attr store1 < 79.102  and attr store1 > 78.302 ) or 
       bondedto (attr store1 < 31.3592773688  and attr store1 > 30.5592773688 ))) 
6 0.1 0.1 peak 82 volume 18.48833 ppm1 2.133 ppm2 7.792
 
! ############### C13_CNnoesy_manual.83 folded +
assi (attr store1 < 4.624 and attr store1 > 4.524 )
     ((attr store1 < 1.961 and attr store1 > 1.901 ) and 
      (bondedto (attr store1 < 126.807722631  and attr store1 > 126.007722631 ) or 
       bondedto (attr store1 < 79.065  and attr store1 > 78.265 ) or 
       bondedto (attr store1 < 31.3222773688  and attr store1 > 30.5222773688 ))) 
6 0.1 0.1 peak 83 volume 17.54815 ppm1 1.931 ppm2 4.574
 
! ############### C13_CNnoesy_manual.84 folded +
assi (attr store1 < 8.058 and attr store1 > 7.958 )
     ((attr store1 < 1.955 and attr store1 > 1.895 ) and 
      (bondedto (attr store1 < 126.812722631  and attr store1 > 126.012722631 ) or 
       bondedto (attr store1 < 79.07  and attr store1 > 78.27 ) or 
       bondedto (attr store1 < 31.3272773688  and attr store1 > 30.5272773688 ))) 
6 0.1 0.1 peak 84 volume 12.18411 ppm1 1.925 ppm2 8.008
 
! ############### C13_CNnoesy_manual.85 folded +
assi (attr store1 < 1.401 and attr store1 > 1.301 )
     ((attr store1 < 1.948 and attr store1 > 1.888 ) and 
      (bondedto (attr store1 < 126.806722631  and attr store1 > 126.006722631 ) or 
       bondedto (attr store1 < 79.064  and attr store1 > 78.264 ) or 
       bondedto (attr store1 < 31.3212773688  and attr store1 > 30.5212773688 ))) 
6 0.1 0.1 peak 85 volume 18.98402 ppm1 1.918 ppm2 1.351
 
! ############### C13_CNnoesy_manual.86 folded -
assi (attr store1 < 7.737 and attr store1 > 7.637 )
     ((attr store1 < 4.212 and attr store1 > 4.152 ) and 
      (bondedto (attr store1 < 150.726083947  and attr store1 > 149.926083947 ) or 
       bondedto (attr store1 < 55.2406386844  and attr store1 > 54.4406386844 ))) 
6 0.1 0.1 peak 86 volume 33.37833 ppm1 4.182 ppm2 7.687
 
! ############### C13_CNnoesy_manual.87 folded -
assi (attr store1 < 4.23 and attr store1 > 4.13 )
     ((attr store1 < 4.215 and attr store1 > 4.155 ) and 
      (bondedto (attr store1 < 150.742083947  and attr store1 > 149.942083947 ) or 
       bondedto (attr store1 < 55.2566386844  and attr store1 > 54.4566386844 ))) 
6 0.1 0.1 peak 87 volume 677.51428 ppm1 4.185 ppm2 4.180
 
! ############### C13_CNnoesy_manual.88 folded -
assi (attr store1 < 2.356 and attr store1 > 2.256 )
     ((attr store1 < 4.212 and attr store1 > 4.152 ) and 
      (bondedto (attr store1 < 150.724083947  and attr store1 > 149.924083947 ) or 
       bondedto (attr store1 < 55.2386386844  and attr store1 > 54.4386386844 ))) 
6 0.1 0.1 peak 88 volume 22.22751 ppm1 4.182 ppm2 2.306
 
! ############### C13_CNnoesy_manual.89 folded -
assi (attr store1 < 1.417 and attr store1 > 1.317 )
     ((attr store1 < 4.213 and attr store1 > 4.153 ) and 
      (bondedto (attr store1 < 150.710083947  and attr store1 > 149.910083947 ) or 
       bondedto (attr store1 < 55.2246386844  and attr store1 > 54.4246386844 ))) 
6 0.1 0.1 peak 89 volume 140.28603 ppm1 4.183 ppm2 1.367
 
! ############### C13_CNnoesy_manual.90 folded -
assi (attr store1 < 1.168 and attr store1 > 1.068 )
     ((attr store1 < 4.213 and attr store1 > 4.153 ) and 
      (bondedto (attr store1 < 150.702083947  and attr store1 > 149.902083947 ) or 
       bondedto (attr store1 < 55.2166386844  and attr store1 > 54.4166386844 ))) 
6 0.1 0.1 peak 90 volume 32.92848 ppm1 4.183 ppm2 1.118
 
! ############### C13_CNnoesy_manual.91 folded +
assi (attr store1 < 4.586 and attr store1 > 4.486 )
     ((attr store1 < 3.328 and attr store1 > 3.268 ) and 
      (bondedto (attr store1 < 126.747722631  and attr store1 > 125.947722631 ) or 
       bondedto (attr store1 < 79.005  and attr store1 > 78.205 ) or 
       bondedto (attr store1 < 31.2622773688  and attr store1 > 30.4622773688 ))) 
6 0.1 0.1 peak 91 volume 32.71685 ppm1 3.298 ppm2 4.536
 
! ############### C13_CNnoesy_manual.92 folded +
assi (attr store1 < 3.061 and attr store1 > 2.961 )
     ((attr store1 < 3.326 and attr store1 > 3.266 ) and 
      (bondedto (attr store1 < 126.750722631  and attr store1 > 125.950722631 ) or 
       bondedto (attr store1 < 79.008  and attr store1 > 78.208 ) or 
       bondedto (attr store1 < 31.2652773688  and attr store1 > 30.4652773688 ))) 
6 0.1 0.1 peak 92 volume 121.44871 ppm1 3.296 ppm2 3.011
 
! ############### C13_CNnoesy_manual.93 folded +
assi (attr store1 < 3.345 and attr store1 > 3.245 )
     ((attr store1 < 3.04 and attr store1 > 2.98 ) and 
      (bondedto (attr store1 < 126.761722631  and attr store1 > 125.961722631 ) or 
       bondedto (attr store1 < 79.019  and attr store1 > 78.219 ) or 
       bondedto (attr store1 < 31.2762773688  and attr store1 > 30.4762773688 ))) 
6 0.1 0.1 peak 93 volume 120.97854 ppm1 3.010 ppm2 3.295
 
! ############### C13_CNnoesy_manual.94 folded +
assi (attr store1 < 8.475 and attr store1 > 8.375 )
     ((attr store1 < 2.207 and attr store1 > 2.147 ) and 
      (bondedto (attr store1 < 126.760722631  and attr store1 > 125.960722631 ) or 
       bondedto (attr store1 < 79.018  and attr store1 > 78.218 ) or 
       bondedto (attr store1 < 31.2752773688  and attr store1 > 30.4752773688 ))) 
6 0.1 0.1 peak 94 volume 21.03547 ppm1 2.177 ppm2 8.425
 
! ############### C13_CNnoesy_manual.95 folded +
assi (attr store1 < 7.727 and attr store1 > 7.627 )
     ((attr store1 < 2.204 and attr store1 > 2.144 ) and 
      (bondedto (attr store1 < 126.761722631  and attr store1 > 125.961722631 ) or 
       bondedto (attr store1 < 79.019  and attr store1 > 78.219 ) or 
       bondedto (attr store1 < 31.2762773688  and attr store1 > 30.4762773688 ))) 
6 0.1 0.1 peak 95 volume 50.77800 ppm1 2.174 ppm2 7.677
 
! ############### C13_CNnoesy_manual.96 folded +
assi (attr store1 < 1.626 and attr store1 > 1.526 )
     ((attr store1 < 2.206 and attr store1 > 2.146 ) and 
      (bondedto (attr store1 < 126.748722631  and attr store1 > 125.948722631 ) or 
       bondedto (attr store1 < 79.006  and attr store1 > 78.206 ) or 
       bondedto (attr store1 < 31.2632773688  and attr store1 > 30.4632773688 ))) 
6 0.1 0.1 peak 96 volume 46.23922 ppm1 2.176 ppm2 1.576
 
! ############### C13_CNnoesy_manual.97 folded +
assi (attr store1 < 4.617 and attr store1 > 4.517 )
     ((attr store1 < 2.196 and attr store1 > 2.136 ) and 
      (bondedto (attr store1 < 126.765722631  and attr store1 > 125.965722631 ) or 
       bondedto (attr store1 < 79.023  and attr store1 > 78.223 ) or 
       bondedto (attr store1 < 31.2802773688  and attr store1 > 30.4802773688 ))) 
6 0.1 0.1 peak 97 volume 36.27683 ppm1 2.166 ppm2 4.567
 
! ############### C13_CNnoesy_manual.98 folded +
assi (attr store1 < 4.375 and attr store1 > 4.275 )
     ((attr store1 < 2.2 and attr store1 > 2.14 ) and 
      (bondedto (attr store1 < 126.753722631  and attr store1 > 125.953722631 ) or 
       bondedto (attr store1 < 79.011  and attr store1 > 78.211 ) or 
       bondedto (attr store1 < 31.2682773688  and attr store1 > 30.4682773688 ))) 
6 0.1 0.1 peak 98 volume 47.56443 ppm1 2.170 ppm2 4.325
 
! ############### C13_CNnoesy_manual.99 folded +
assi (attr store1 < 3.131 and attr store1 > 3.031 )
     ((attr store1 < 2.2 and attr store1 > 2.14 ) and 
      (bondedto (attr store1 < 126.755722631  and attr store1 > 125.955722631 ) or 
       bondedto (attr store1 < 79.013  and attr store1 > 78.213 ) or 
       bondedto (attr store1 < 31.2702773688  and attr store1 > 30.4702773688 ))) 
6 0.1 0.1 peak 99 volume 13.26921 ppm1 2.170 ppm2 3.081
 
! ############### C13_CNnoesy_manual.100 folded +
assi (attr store1 < 2.224 and attr store1 > 2.124 )
     ((attr store1 < 2.203 and attr store1 > 2.143 ) and 
      (bondedto (attr store1 < 126.728722631  and attr store1 > 125.928722631 ) or 
       bondedto (attr store1 < 78.986  and attr store1 > 78.186 ) or 
       bondedto (attr store1 < 31.2432773688  and attr store1 > 30.4432773688 ))) 
6 0.1 0.1 peak 100 volume 601.04889 ppm1 2.173 ppm2 2.174
 
! ############### C13_CNnoesy_manual.101 folded +
assi (attr store1 < 1.965 and attr store1 > 1.865 )
     ((attr store1 < 2.182 and attr store1 > 2.122 ) and 
      (bondedto (attr store1 < 126.771722631  and attr store1 > 125.971722631 ) or 
       bondedto (attr store1 < 79.029  and attr store1 > 78.229 ) or 
       bondedto (attr store1 < 31.2862773688  and attr store1 > 30.4862773688 ))) 
6 0.1 0.1 peak 101 volume 111.13847 ppm1 2.152 ppm2 1.915
 
! ############### C13_CNnoesy_manual.102 folded +
assi (attr store1 < 2.427 and attr store1 > 2.327 )
     ((attr store1 < 2.172 and attr store1 > 2.112 ) and 
      (bondedto (attr store1 < 126.779722631  and attr store1 > 125.979722631 ) or 
       bondedto (attr store1 < 79.037  and attr store1 > 78.237 ) or 
       bondedto (attr store1 < 31.2942773688  and attr store1 > 30.4942773688 ))) 
6 0.1 0.1 peak 102 volume 94.06083 ppm1 2.142 ppm2 2.377
 
! ############### C13_CNnoesy_manual.103 folded -
assi (attr store1 < 2.957 and attr store1 > 2.857 )
     ((attr store1 < 2.938 and attr store1 > 2.878 ) and 
      (bondedto (attr store1 < 150.625083947  and attr store1 > 149.825083947 ) or 
       bondedto (attr store1 < 55.1396386844  and attr store1 > 54.3396386844 ))) 
6 0.1 0.1 peak 103 volume 29.29116 ppm1 2.908 ppm2 2.907
 
! ############### C13_CNnoesy_manual.104 folded +
assi (attr store1 < 3.139 and attr store1 > 3.039 )
     ((attr store1 < 3.119 and attr store1 > 3.059 ) and 
      (bondedto (attr store1 < 126.231722631  and attr store1 > 125.431722631 ) or 
       bondedto (attr store1 < 78.489  and attr store1 > 77.689 ) or 
       bondedto (attr store1 < 30.7462773688  and attr store1 > 29.9462773688 ))) 
6 0.1 0.1 peak 104 volume 84.21725 ppm1 3.089 ppm2 3.089
 
! ############### C13_CNnoesy_manual.105 folded +
assi (attr store1 < 8.477 and attr store1 > 8.377 )
     ((attr store1 < 1.938 and attr store1 > 1.878 ) and 
      (bondedto (attr store1 < 126.238722631  and attr store1 > 125.438722631 ) or 
       bondedto (attr store1 < 78.496  and attr store1 > 77.696 ) or 
       bondedto (attr store1 < 30.7532773688  and attr store1 > 29.9532773688 ))) 
6 0.1 0.1 peak 105 volume 20.62120 ppm1 1.908 ppm2 8.427
 
! ############### C13_CNnoesy_manual.106 folded +
assi (attr store1 < 3.579 and attr store1 > 3.479 )
     ((attr store1 < 1.938 and attr store1 > 1.878 ) and 
      (bondedto (attr store1 < 126.236722631  and attr store1 > 125.436722631 ) or 
       bondedto (attr store1 < 78.494  and attr store1 > 77.694 ) or 
       bondedto (attr store1 < 30.7512773688  and attr store1 > 29.9512773688 ))) 
6 0.1 0.1 peak 106 volume 17.64022 ppm1 1.908 ppm2 3.529
 
! ############### C13_CNnoesy_manual.107 folded +
assi (attr store1 < 0.968 and attr store1 > 0.868 )
     ((attr store1 < 1.929 and attr store1 > 1.869 ) and 
      (bondedto (attr store1 < 126.238722631  and attr store1 > 125.438722631 ) or 
       bondedto (attr store1 < 78.496  and attr store1 > 77.696 ) or 
       bondedto (attr store1 < 30.7532773688  and attr store1 > 29.9532773688 ))) 
6 0.1 0.1 peak 107 volume 120.66036 ppm1 1.899 ppm2 0.918
 
! ############### C13_CNnoesy_manual.108 folded +
assi (attr store1 < 8.483 and attr store1 > 8.383 )
     ((attr store1 < 0.958 and attr store1 > 0.898 ) and 
      (bondedto (attr store1 < 126.251722631  and attr store1 > 125.451722631 ) or 
       bondedto (attr store1 < 78.509  and attr store1 > 77.709 ) or 
       bondedto (attr store1 < 30.7662773688  and attr store1 > 29.9662773688 ))) 
6 0.1 0.1 peak 108 volume 12.78986 ppm1 0.928 ppm2 8.433
 
! ############### C13_CNnoesy_manual.109 folded +
assi (attr store1 < 3.584 and attr store1 > 3.484 )
     ((attr store1 < 0.962 and attr store1 > 0.902 ) and 
      (bondedto (attr store1 < 126.223722631  and attr store1 > 125.423722631 ) or 
       bondedto (attr store1 < 78.481  and attr store1 > 77.681 ) or 
       bondedto (attr store1 < 30.7382773688  and attr store1 > 29.9382773688 ))) 
6 0.1 0.1 peak 109 volume 16.29729 ppm1 0.932 ppm2 3.534
 
! ############### C13_CNnoesy_manual.110 folded +
assi (attr store1 < 1.951 and attr store1 > 1.851 )
     ((attr store1 < 0.966 and attr store1 > 0.906 ) and 
      (bondedto (attr store1 < 126.228722631  and attr store1 > 125.428722631 ) or 
       bondedto (attr store1 < 78.486  and attr store1 > 77.686 ) or 
       bondedto (attr store1 < 30.7432773688  and attr store1 > 29.9432773688 ))) 
6 0.1 0.1 peak 110 volume 77.38551 ppm1 0.936 ppm2 1.901
 
! ############### C13_CNnoesy_manual.111 folded +
assi (attr store1 < 1.953 and attr store1 > 1.853 )
     ((attr store1 < 0.864 and attr store1 > 0.804 ) and 
      (bondedto (attr store1 < 126.230722631  and attr store1 > 125.430722631 ) or 
       bondedto (attr store1 < 78.488  and attr store1 > 77.688 ) or 
       bondedto (attr store1 < 30.7452773688  and attr store1 > 29.9452773688 ))) 
6 0.1 0.1 peak 111 volume 30.49198 ppm1 0.834 ppm2 1.903
 
! ############### C13_CNnoesy_manual.112 folded +
assi (attr store1 < 2.152 and attr store1 > 2.052 )
     ((attr store1 < 0.965 and attr store1 > 0.905 ) and 
      (bondedto (attr store1 < 126.219722631  and attr store1 > 125.419722631 ) or 
       bondedto (attr store1 < 78.477  and attr store1 > 77.677 ) or 
       bondedto (attr store1 < 30.7342773688  and attr store1 > 29.9342773688 ))) 
6 0.1 0.1 peak 112 volume 15.10692 ppm1 0.935 ppm2 2.102
 
! ############### C13_CNnoesy_manual.113 folded +
assi (attr store1 < 0.958 and attr store1 > 0.858 )
     ((attr store1 < 0.951 and attr store1 > 0.891 ) and 
      (bondedto (attr store1 < 126.163722631  and attr store1 > 125.363722631 ) or 
       bondedto (attr store1 < 78.421  and attr store1 > 77.621 ) or 
       bondedto (attr store1 < 30.6782773688  and attr store1 > 29.8782773688 ))) 
6 0.1 0.1 peak 113 volume 160.30788 ppm1 0.921 ppm2 0.908
 
! ############### C13_CNnoesy_manual.114 folded -
assi (attr store1 < 2.858 and attr store1 > 2.758 )
     ((attr store1 < 2.84 and attr store1 > 2.78 ) and 
      (bondedto (attr store1 < 150.084083947  and attr store1 > 149.284083947 ) or 
       bondedto (attr store1 < 54.5986386844  and attr store1 > 53.7986386844 ))) 
6 0.1 0.1 peak 114 volume 61.29189 ppm1 2.810 ppm2 2.808
 
! ############### C13_CNnoesy_manual.115 folded +
assi (attr store1 < 2.939 and attr store1 > 2.839 )
     ((attr store1 < 1.796 and attr store1 > 1.736 ) and 
      (bondedto (attr store1 < 126.053722631  and attr store1 > 125.253722631 ) or 
       bondedto (attr store1 < 78.311  and attr store1 > 77.511 ) or 
       bondedto (attr store1 < 30.5682773688  and attr store1 > 29.7682773688 ))) 
6 0.1 0.1 peak 115 volume 33.03788 ppm1 1.766 ppm2 2.889
 
! ############### C13_CNnoesy_manual.116 folded +
assi (attr store1 < 4.521 and attr store1 > 4.421 )
     ((attr store1 < 1.806 and attr store1 > 1.746 ) and 
      (bondedto (attr store1 < 126.022722631  and attr store1 > 125.222722631 ) or 
       bondedto (attr store1 < 78.28  and attr store1 > 77.48 ) or 
       bondedto (attr store1 < 30.5372773688  and attr store1 > 29.7372773688 ))) 
6 0.1 0.1 peak 116 volume 23.32838 ppm1 1.776 ppm2 4.471
 
! ############### C13_CNnoesy_manual.117 folded +
assi (attr store1 < 4.237 and attr store1 > 4.137 )
     ((attr store1 < 1.805 and attr store1 > 1.745 ) and 
      (bondedto (attr store1 < 125.953722631  and attr store1 > 125.153722631 ) or 
       bondedto (attr store1 < 78.211  and attr store1 > 77.411 ) or 
       bondedto (attr store1 < 30.4682773688  and attr store1 > 29.6682773688 ))) 
6 0.1 0.1 peak 117 volume 11.28718 ppm1 1.775 ppm2 4.187
 
! ############### C13_CNnoesy_manual.118 folded +
assi (attr store1 < 3.027 and attr store1 > 2.927 )
     ((attr store1 < 1.793 and attr store1 > 1.733 ) and 
      (bondedto (attr store1 < 126.035722631  and attr store1 > 125.235722631 ) or 
       bondedto (attr store1 < 78.293  and attr store1 > 77.493 ) or 
       bondedto (attr store1 < 30.5502773688  and attr store1 > 29.7502773688 ))) 
6 0.1 0.1 peak 118 volume 34.42389 ppm1 1.763 ppm2 2.977
 
! ############### C13_CNnoesy_manual.119 folded +
assi (attr store1 < 1.084 and attr store1 > 0.984 )
     ((attr store1 < 1.797 and attr store1 > 1.737 ) and 
      (bondedto (attr store1 < 126.019722631  and attr store1 > 125.219722631 ) or 
       bondedto (attr store1 < 78.277  and attr store1 > 77.477 ) or 
       bondedto (attr store1 < 30.5342773688  and attr store1 > 29.7342773688 ))) 
6 0.1 0.1 peak 119 volume 36.04642 ppm1 1.767 ppm2 1.034
 
! ############### C13_CNnoesy_manual.120 folded +
assi (attr store1 < 8.037 and attr store1 > 7.937 )
     ((attr store1 < 1.436 and attr store1 > 1.376 ) and 
      (bondedto (attr store1 < 126.017722631  and attr store1 > 125.217722631 ) or 
       bondedto (attr store1 < 78.275  and attr store1 > 77.475 ) or 
       bondedto (attr store1 < 30.5322773688  and attr store1 > 29.7322773688 ))) 
6 0.1 0.1 peak 120 volume 11.24022 ppm1 1.406 ppm2 7.987
 
! ############### C13_CNnoesy_manual.121 folded +
assi (attr store1 < 1.453 and attr store1 > 1.353 )
     ((attr store1 < 1.443 and attr store1 > 1.383 ) and 
      (bondedto (attr store1 < 126.033722631  and attr store1 > 125.233722631 ) or 
       bondedto (attr store1 < 78.291  and attr store1 > 77.491 ) or 
       bondedto (attr store1 < 30.5482773688  and attr store1 > 29.7482773688 ))) 
6 0.1 0.1 peak 121 volume 86.60641 ppm1 1.413 ppm2 1.403
 
! ############### C13_CNnoesy_manual.122 folded +
assi (attr store1 < 1.194 and attr store1 > 1.094 )
     ((attr store1 < 1.439 and attr store1 > 1.379 ) and 
      (bondedto (attr store1 < 125.995722631  and attr store1 > 125.195722631 ) or 
       bondedto (attr store1 < 78.253  and attr store1 > 77.453 ) or 
       bondedto (attr store1 < 30.5102773688  and attr store1 > 29.7102773688 ))) 
6 0.1 0.1 peak 122 volume 63.26369 ppm1 1.409 ppm2 1.144
 
! ############### C13_CNnoesy_manual.123 folded +
assi (attr store1 < 4.056 and attr store1 > 3.956 )
     ((attr store1 < 1.431 and attr store1 > 1.371 ) and 
      (bondedto (attr store1 < 126.006722631  and attr store1 > 125.206722631 ) or 
       bondedto (attr store1 < 78.264  and attr store1 > 77.464 ) or 
       bondedto (attr store1 < 30.5212773688  and attr store1 > 29.7212773688 ))) 
6 0.1 0.1 peak 123 volume 11.63550 ppm1 1.401 ppm2 4.006
 
! ############### C13_CNnoesy_manual.124 folded +
assi (attr store1 < 2.841 and attr store1 > 2.741 )
     ((attr store1 < 1.434 and attr store1 > 1.374 ) and 
      (bondedto (attr store1 < 126.005722631  and attr store1 > 125.205722631 ) or 
       bondedto (attr store1 < 78.263  and attr store1 > 77.463 ) or 
       bondedto (attr store1 < 30.5202773688  and attr store1 > 29.7202773688 ))) 
6 0.1 0.1 peak 124 volume 11.80890 ppm1 1.404 ppm2 2.791
 
! ############### C13_CNnoesy_manual.125 folded +
assi (attr store1 < 4.046 and attr store1 > 3.946 )
     ((attr store1 < 1.158 and attr store1 > 1.098 ) and 
      (bondedto (attr store1 < 126.004722631  and attr store1 > 125.204722631 ) or 
       bondedto (attr store1 < 78.262  and attr store1 > 77.462 ) or 
       bondedto (attr store1 < 30.5192773688  and attr store1 > 29.7192773688 ))) 
6 0.1 0.1 peak 125 volume 10.71919 ppm1 1.128 ppm2 3.996
 
! ############### C13_CNnoesy_manual.126 folded +
assi (attr store1 < 1.46 and attr store1 > 1.36 )
     ((attr store1 < 1.15 and attr store1 > 1.09 ) and 
      (bondedto (attr store1 < 125.996722631  and attr store1 > 125.196722631 ) or 
       bondedto (attr store1 < 78.254  and attr store1 > 77.454 ) or 
       bondedto (attr store1 < 30.5112773688  and attr store1 > 29.7112773688 ))) 
6 0.1 0.1 peak 126 volume 37.88994 ppm1 1.120 ppm2 1.410
 
! ############### C13_CNnoesy_manual.127 folded +
assi (attr store1 < 1.178 and attr store1 > 1.078 )
     ((attr store1 < 1.156 and attr store1 > 1.096 ) and 
      (bondedto (attr store1 < 125.983722631  and attr store1 > 125.183722631 ) or 
       bondedto (attr store1 < 78.241  and attr store1 > 77.441 ) or 
       bondedto (attr store1 < 30.4982773688  and attr store1 > 29.6982773688 ))) 
6 0.1 0.1 peak 127 volume 87.94165 ppm1 1.126 ppm2 1.128
 
! ############### C13_CNnoesy_manual.128 folded +
assi (attr store1 < 2.844 and attr store1 > 2.744 )
     ((attr store1 < 1.144 and attr store1 > 1.084 ) and 
      (bondedto (attr store1 < 125.995722631  and attr store1 > 125.195722631 ) or 
       bondedto (attr store1 < 78.253  and attr store1 > 77.453 ) or 
       bondedto (attr store1 < 30.5102773688  and attr store1 > 29.7102773688 ))) 
6 0.1 0.1 peak 128 volume 9.55824 ppm1 1.114 ppm2 2.794
 
! ############### C13_CNnoesy_manual.129 folded -
assi (attr store1 < 0.791 and attr store1 > 0.691 )
     ((attr store1 < 0.766 and attr store1 > 0.706 ) and 
      (bondedto (attr store1 < 149.855083947  and attr store1 > 149.055083947 ) or 
       bondedto (attr store1 < 54.3696386844  and attr store1 > 53.5696386844 ))) 
6 0.1 0.1 peak 129 volume 31.61499 ppm1 0.736 ppm2 0.741
 
! ############### C13_CNnoesy_manual.130 folded +
assi (attr store1 < 7.171 and attr store1 > 7.071 )
     ((attr store1 < 2.305 and attr store1 > 2.245 ) and 
      (bondedto (attr store1 < 125.869722631  and attr store1 > 125.069722631 ) or 
       bondedto (attr store1 < 78.127  and attr store1 > 77.327 ) or 
       bondedto (attr store1 < 30.3842773688  and attr store1 > 29.5842773688 ))) 
6 0.1 0.1 peak 130 volume 12.37493 ppm1 2.275 ppm2 7.121
 
! ############### C13_CNnoesy_manual.131 folded +
assi (attr store1 < 4.088 and attr store1 > 3.988 )
     ((attr store1 < 2.302 and attr store1 > 2.242 ) and 
      (bondedto (attr store1 < 125.871722631  and attr store1 > 125.071722631 ) or 
       bondedto (attr store1 < 78.129  and attr store1 > 77.329 ) or 
       bondedto (attr store1 < 30.3862773688  and attr store1 > 29.5862773688 ))) 
6 0.1 0.1 peak 131 volume 25.23956 ppm1 2.272 ppm2 4.038
 
! ############### C13_CNnoesy_manual.132 folded +
assi (attr store1 < 4.086 and attr store1 > 3.986 )
     ((attr store1 < 2.174 and attr store1 > 2.114 ) and 
      (bondedto (attr store1 < 125.851722631  and attr store1 > 125.051722631 ) or 
       bondedto (attr store1 < 78.109  and attr store1 > 77.309 ) or 
       bondedto (attr store1 < 30.3662773688  and attr store1 > 29.5662773688 ))) 
6 0.1 0.1 peak 132 volume 40.20247 ppm1 2.144 ppm2 4.036
 
! ############### C13_CNnoesy_manual.133 folded +
assi (attr store1 < 2.202 and attr store1 > 2.102 )
     ((attr store1 < 2.175 and attr store1 > 2.115 ) and 
      (bondedto (attr store1 < 125.854722631  and attr store1 > 125.054722631 ) or 
       bondedto (attr store1 < 78.112  and attr store1 > 77.312 ) or 
       bondedto (attr store1 < 30.3692773688  and attr store1 > 29.5692773688 ))) 
6 0.1 0.1 peak 133 volume 590.31354 ppm1 2.145 ppm2 2.152
 
! ############### C13_CNnoesy_manual.134 folded +
assi (attr store1 < 0.955 and attr store1 > 0.855 )
     ((attr store1 < 2.167 and attr store1 > 2.107 ) and 
      (bondedto (attr store1 < 125.857722631  and attr store1 > 125.057722631 ) or 
       bondedto (attr store1 < 78.115  and attr store1 > 77.315 ) or 
       bondedto (attr store1 < 30.3722773688  and attr store1 > 29.5722773688 ))) 
6 0.1 0.1 peak 134 volume 14.07234 ppm1 2.137 ppm2 0.905
 
! ############### C13_CNnoesy_manual.135 folded +
assi (attr store1 < 8.748 and attr store1 > 8.648 )
     ((attr store1 < 2.288 and attr store1 > 2.228 ) and 
      (bondedto (attr store1 < 125.788722631  and attr store1 > 124.988722631 ) or 
       bondedto (attr store1 < 78.046  and attr store1 > 77.246 ) or 
       bondedto (attr store1 < 30.3032773688  and attr store1 > 29.5032773688 ))) 
6 0.1 0.1 peak 135 volume 35.77929 ppm1 2.258 ppm2 8.698
 
! ############### C13_CNnoesy_manual.136 folded +
assi (attr store1 < 8.697 and attr store1 > 8.597 )
     ((attr store1 < 2.24 and attr store1 > 2.18 ) and 
      (bondedto (attr store1 < 125.796722631  and attr store1 > 124.996722631 ) or 
       bondedto (attr store1 < 78.054  and attr store1 > 77.254 ) or 
       bondedto (attr store1 < 30.3112773688  and attr store1 > 29.5112773688 ))) 
6 0.1 0.1 peak 136 volume 49.12286 ppm1 2.210 ppm2 8.647
 
! ############### C13_CNnoesy_manual.137 folded +
assi (attr store1 < 4.336 and attr store1 > 4.236 )
     ((attr store1 < 2.235 and attr store1 > 2.175 ) and 
      (bondedto (attr store1 < 125.759722631  and attr store1 > 124.959722631 ) or 
       bondedto (attr store1 < 78.017  and attr store1 > 77.217 ) or 
       bondedto (attr store1 < 30.2742773688  and attr store1 > 29.4742773688 ))) 
6 0.1 0.1 peak 137 volume 72.11599 ppm1 2.205 ppm2 4.286
 
! ############### C13_CNnoesy_manual.138 folded +
assi (attr store1 < 2.649 and attr store1 > 2.549 )
     ((attr store1 < 2.231 and attr store1 > 2.171 ) and 
      (bondedto (attr store1 < 125.792722631  and attr store1 > 124.992722631 ) or 
       bondedto (attr store1 < 78.05  and attr store1 > 77.25 ) or 
       bondedto (attr store1 < 30.3072773688  and attr store1 > 29.5072773688 ))) 
6 0.1 0.1 peak 138 volume 60.39474 ppm1 2.201 ppm2 2.599
 
! ############### C13_CNnoesy_manual.139 folded +
assi (attr store1 < 8.761 and attr store1 > 8.661 )
     ((attr store1 < 2.171 and attr store1 > 2.111 ) and 
      (bondedto (attr store1 < 125.819722631  and attr store1 > 125.019722631 ) or 
       bondedto (attr store1 < 78.077  and attr store1 > 77.277 ) or 
       bondedto (attr store1 < 30.3342773688  and attr store1 > 29.5342773688 ))) 
6 0.1 0.1 peak 139 volume 31.85110 ppm1 2.141 ppm2 8.711
 
! ############### C13_CNnoesy_manual.140 folded +
assi (attr store1 < 7.172 and attr store1 > 7.072 )
     ((attr store1 < 2.17 and attr store1 > 2.11 ) and 
      (bondedto (attr store1 < 125.830722631  and attr store1 > 125.030722631 ) or 
       bondedto (attr store1 < 78.088  and attr store1 > 77.288 ) or 
       bondedto (attr store1 < 30.3452773688  and attr store1 > 29.5452773688 ))) 
6 0.1 0.1 peak 140 volume 13.22419 ppm1 2.140 ppm2 7.122
 
! ############### C13_CNnoesy_manual.141 folded +
assi (attr store1 < 1.612 and attr store1 > 1.512 )
     ((attr store1 < 1.594 and attr store1 > 1.534 ) and 
      (bondedto (attr store1 < 125.823722631  and attr store1 > 125.023722631 ) or 
       bondedto (attr store1 < 78.081  and attr store1 > 77.281 ) or 
       bondedto (attr store1 < 30.3382773688  and attr store1 > 29.5382773688 ))) 
6 0.1 0.1 peak 141 volume 83.83870 ppm1 1.564 ppm2 1.562
 
! ############### C13_CNnoesy_manual.142 folded -
assi (attr store1 < 0.838 and attr store1 > 0.738 )
     ((attr store1 < 0.817 and attr store1 > 0.757 ) and 
      (bondedto (attr store1 < 149.649083947  and attr store1 > 148.849083947 ) or 
       bondedto (attr store1 < 54.1636386844  and attr store1 > 53.3636386844 ))) 
6 0.1 0.1 peak 142 volume 46.92762 ppm1 0.787 ppm2 0.788
 
! ############### C13_CNnoesy_manual.143 folded +
assi (attr store1 < 8.156 and attr store1 > 8.056 )
     ((attr store1 < 2.481 and attr store1 > 2.421 ) and 
      (bondedto (attr store1 < 125.721722631  and attr store1 > 124.921722631 ) or 
       bondedto (attr store1 < 77.979  and attr store1 > 77.179 ) or 
       bondedto (attr store1 < 30.2362773688  and attr store1 > 29.4362773688 ))) 
6 0.1 0.1 peak 143 volume 28.31034 ppm1 2.451 ppm2 8.106
 
! ############### C13_CNnoesy_manual.144 folded +
assi (attr store1 < 7.725 and attr store1 > 7.625 )
     ((attr store1 < 2.487 and attr store1 > 2.427 ) and 
      (bondedto (attr store1 < 125.724722631  and attr store1 > 124.924722631 ) or 
       bondedto (attr store1 < 77.982  and attr store1 > 77.182 ) or 
       bondedto (attr store1 < 30.2392773688  and attr store1 > 29.4392773688 ))) 
6 0.1 0.1 peak 144 volume 12.68127 ppm1 2.457 ppm2 7.675
 
! ############### C13_CNnoesy_manual.145 folded +
assi (attr store1 < 4.354 and attr store1 > 4.254 )
     ((attr store1 < 2.483 and attr store1 > 2.423 ) and 
      (bondedto (attr store1 < 125.665722631  and attr store1 > 124.865722631 ) or 
       bondedto (attr store1 < 77.923  and attr store1 > 77.123 ) or 
       bondedto (attr store1 < 30.1802773688  and attr store1 > 29.3802773688 ))) 
6 0.1 0.1 peak 145 volume 16.57415 ppm1 2.453 ppm2 4.304
 
! ############### C13_CNnoesy_manual.146 folded +
assi (attr store1 < 4.155 and attr store1 > 4.055 )
     ((attr store1 < 2.482 and attr store1 > 2.422 ) and 
      (bondedto (attr store1 < 125.713722631  and attr store1 > 124.913722631 ) or 
       bondedto (attr store1 < 77.971  and attr store1 > 77.171 ) or 
       bondedto (attr store1 < 30.2282773688  and attr store1 > 29.4282773688 ))) 
6 0.1 0.1 peak 146 volume 25.78690 ppm1 2.452 ppm2 4.105
 
! ############### C13_CNnoesy_manual.147 folded +
assi (attr store1 < 2.831 and attr store1 > 2.731 )
     ((attr store1 < 2.484 and attr store1 > 2.424 ) and 
      (bondedto (attr store1 < 125.722722631  and attr store1 > 124.922722631 ) or 
       bondedto (attr store1 < 77.98  and attr store1 > 77.18 ) or 
       bondedto (attr store1 < 30.2372773688  and attr store1 > 29.4372773688 ))) 
6 0.1 0.1 peak 147 volume 29.23366 ppm1 2.454 ppm2 2.781
 
! ############### C13_CNnoesy_manual.148 folded +
assi (attr store1 < 8.221 and attr store1 > 8.121 )
     ((attr store1 < 2.4 and attr store1 > 2.34 ) and 
      (bondedto (attr store1 < 125.722722631  and attr store1 > 124.922722631 ) or 
       bondedto (attr store1 < 77.98  and attr store1 > 77.18 ) or 
       bondedto (attr store1 < 30.2372773688  and attr store1 > 29.4372773688 ))) 
6 0.1 0.1 peak 148 volume 24.15206 ppm1 2.370 ppm2 8.171
 
! ############### C13_CNnoesy_manual.149 folded +
assi (attr store1 < 8.087 and attr store1 > 7.987 )
     ((attr store1 < 2.403 and attr store1 > 2.343 ) and 
      (bondedto (attr store1 < 125.747722631  and attr store1 > 124.947722631 ) or 
       bondedto (attr store1 < 78.005  and attr store1 > 77.205 ) or 
       bondedto (attr store1 < 30.2622773688  and attr store1 > 29.4622773688 ))) 
6 0.1 0.1 peak 149 volume 49.77004 ppm1 2.373 ppm2 8.037
 
! ############### C13_CNnoesy_manual.150 folded +
assi (attr store1 < 4.378 and attr store1 > 4.278 )
     ((attr store1 < 2.402 and attr store1 > 2.342 ) and 
      (bondedto (attr store1 < 125.735722631  and attr store1 > 124.935722631 ) or 
       bondedto (attr store1 < 77.993  and attr store1 > 77.193 ) or 
       bondedto (attr store1 < 30.2502773688  and attr store1 > 29.4502773688 ))) 
6 0.1 0.1 peak 150 volume 30.36903 ppm1 2.372 ppm2 4.328
 
! ############### C13_CNnoesy_manual.151 folded +
assi (attr store1 < 4.232 and attr store1 > 4.132 )
     ((attr store1 < 2.402 and attr store1 > 2.342 ) and 
      (bondedto (attr store1 < 125.754722631  and attr store1 > 124.954722631 ) or 
       bondedto (attr store1 < 78.012  and attr store1 > 77.212 ) or 
       bondedto (attr store1 < 30.2692773688  and attr store1 > 29.4692773688 ))) 
6 0.1 0.1 peak 151 volume 46.27356 ppm1 2.372 ppm2 4.182
 
! ############### C13_CNnoesy_manual.152 folded +
assi (attr store1 < 2.586 and attr store1 > 2.486 )
     ((attr store1 < 2.404 and attr store1 > 2.344 ) and 
      (bondedto (attr store1 < 125.726722631  and attr store1 > 124.926722631 ) or 
       bondedto (attr store1 < 77.984  and attr store1 > 77.184 ) or 
       bondedto (attr store1 < 30.2412773688  and attr store1 > 29.4412773688 ))) 
6 0.1 0.1 peak 152 volume 94.74993 ppm1 2.374 ppm2 2.536
 
! ############### C13_CNnoesy_manual.153 folded +
assi (attr store1 < 2.42 and attr store1 > 2.32 )
     ((attr store1 < 2.404 and attr store1 > 2.344 ) and 
      (bondedto (attr store1 < 125.729722631  and attr store1 > 124.929722631 ) or 
       bondedto (attr store1 < 77.987  and attr store1 > 77.187 ) or 
       bondedto (attr store1 < 30.2442773688  and attr store1 > 29.4442773688 ))) 
6 0.1 0.1 peak 153 volume 529.86072 ppm1 2.374 ppm2 2.370
 
! ############### C13_CNnoesy_manual.154 folded +
assi (attr store1 < 7.722 and attr store1 > 7.622 )
     ((attr store1 < 2.223 and attr store1 > 2.163 ) and 
      (bondedto (attr store1 < 125.686722631  and attr store1 > 124.886722631 ) or 
       bondedto (attr store1 < 77.944  and attr store1 > 77.144 ) or 
       bondedto (attr store1 < 30.2012773688  and attr store1 > 29.4012773688 ))) 
6 0.1 0.1 peak 154 volume 13.89346 ppm1 2.193 ppm2 7.672
 
! ############### C13_CNnoesy_manual.155 folded +
assi (attr store1 < 4.161 and attr store1 > 4.061 )
     ((attr store1 < 2.222 and attr store1 > 2.162 ) and 
      (bondedto (attr store1 < 125.729722631  and attr store1 > 124.929722631 ) or 
       bondedto (attr store1 < 77.987  and attr store1 > 77.187 ) or 
       bondedto (attr store1 < 30.2442773688  and attr store1 > 29.4442773688 ))) 
6 0.1 0.1 peak 155 volume 47.12460 ppm1 2.192 ppm2 4.111
 
! ############### C13_CNnoesy_manual.156 folded +
assi (attr store1 < 2.823 and attr store1 > 2.723 )
     ((attr store1 < 2.222 and attr store1 > 2.162 ) and 
      (bondedto (attr store1 < 125.710722631  and attr store1 > 124.910722631 ) or 
       bondedto (attr store1 < 77.968  and attr store1 > 77.168 ) or 
       bondedto (attr store1 < 30.2252773688  and attr store1 > 29.4252773688 ))) 
6 0.1 0.1 peak 156 volume 25.87295 ppm1 2.192 ppm2 2.773
 
! ############### C13_CNnoesy_manual.157 folded +
assi (attr store1 < 4.166 and attr store1 > 4.066 )
     ((attr store1 < 4.174 and attr store1 > 4.114 ) and 
      (bondedto (attr store1 < 125.627722631  and attr store1 > 124.827722631 ) or 
       bondedto (attr store1 < 77.885  and attr store1 > 77.085 ) or 
       bondedto (attr store1 < 30.1422773688  and attr store1 > 29.3422773688 ))) 
6 0.1 0.1 peak 157 volume 11.43590 ppm1 4.144 ppm2 4.116
 
! ############### C13_CNnoesy_manual.158 folded +
assi (attr store1 < 2.501 and attr store1 > 2.401 )
     ((attr store1 < 2.485 and attr store1 > 2.425 ) and 
      (bondedto (attr store1 < 125.659722631  and attr store1 > 124.859722631 ) or 
       bondedto (attr store1 < 77.917  and attr store1 > 77.117 ) or 
       bondedto (attr store1 < 30.1742773688  and attr store1 > 29.3742773688 ))) 
6 0.1 0.1 peak 158 volume 249.11546 ppm1 2.455 ppm2 2.451
 
! ############### C13_CNnoesy_manual.159 folded +
assi (attr store1 < 2.255 and attr store1 > 2.155 )
     ((attr store1 < 2.489 and attr store1 > 2.429 ) and 
      (bondedto (attr store1 < 125.615722631  and attr store1 > 124.815722631 ) or 
       bondedto (attr store1 < 77.873  and attr store1 > 77.073 ) or 
       bondedto (attr store1 < 30.1302773688  and attr store1 > 29.3302773688 ))) 
6 0.1 0.1 peak 159 volume 247.61531 ppm1 2.459 ppm2 2.205
 
! ############### C13_CNnoesy_manual.160 folded +
assi (attr store1 < 2.501 and attr store1 > 2.401 )
     ((attr store1 < 2.24 and attr store1 > 2.18 ) and 
      (bondedto (attr store1 < 125.603722631  and attr store1 > 124.803722631 ) or 
       bondedto (attr store1 < 77.861  and attr store1 > 77.061 ) or 
       bondedto (attr store1 < 30.1182773688  and attr store1 > 29.3182773688 ))) 
6 0.1 0.1 peak 160 volume 346.99850 ppm1 2.210 ppm2 2.451
 
! ############### C13_CNnoesy_manual.161 folded +
assi (attr store1 < 2.259 and attr store1 > 2.159 )
     ((attr store1 < 2.24 and attr store1 > 2.18 ) and 
      (bondedto (attr store1 < 125.613722631  and attr store1 > 124.813722631 ) or 
       bondedto (attr store1 < 77.871  and attr store1 > 77.071 ) or 
       bondedto (attr store1 < 30.1282773688  and attr store1 > 29.3282773688 ))) 
6 0.1 0.1 peak 161 volume 1866.45593 ppm1 2.210 ppm2 2.209
 
! ############### C13_CNnoesy_manual.162 folded -
assi (attr store1 < 6.813 and attr store1 > 6.713 )
     ((attr store1 < 4.218 and attr store1 > 4.158 ) and 
      (bondedto (attr store1 < 149.480083947  and attr store1 > 148.680083947 ) or 
       bondedto (attr store1 < 53.9946386844  and attr store1 > 53.1946386844 ))) 
6 0.1 0.1 peak 162 volume 15.74576 ppm1 4.188 ppm2 6.763
 
! ############### C13_CNnoesy_manual.163 folded -
assi (attr store1 < 4.242 and attr store1 > 4.142 )
     ((attr store1 < 4.22 and attr store1 > 4.16 ) and 
      (bondedto (attr store1 < 149.492083947  and attr store1 > 148.692083947 ) or 
       bondedto (attr store1 < 54.0066386844  and attr store1 > 53.2066386844 ))) 
6 0.1 0.1 peak 163 volume 332.7807 ppm1 4.190 ppm2 4.192
 
! ############### C13_CNnoesy_manual.164 folded -
assi (attr store1 < 3.666 and attr store1 > 3.566 )
     ((attr store1 < 4.218 and attr store1 > 4.158 ) and 
      (bondedto (attr store1 < 149.491083947  and attr store1 > 148.691083947 ) or 
       bondedto (attr store1 < 54.0056386844  and attr store1 > 53.2056386844 ))) 
6 0.1 0.1 peak 164 volume 91.0918 ppm1 4.188 ppm2 3.616
 
! ############### C13_CNnoesy_manual.165 folded -
assi (attr store1 < 3.071 and attr store1 > 2.971 )
     ((attr store1 < 4.219 and attr store1 > 4.159 ) and 
      (bondedto (attr store1 < 149.474083947  and attr store1 > 148.674083947 ) or 
       bondedto (attr store1 < 53.9886386844  and attr store1 > 53.1886386844 ))) 
6 0.1 0.1 peak 165 volume 13.91313 ppm1 4.189 ppm2 3.021
 
! ############### C13_CNnoesy_manual.166 folded -
assi (attr store1 < 1.743 and attr store1 > 1.643 )
     ((attr store1 < 4.218 and attr store1 > 4.158 ) and 
      (bondedto (attr store1 < 149.476083947  and attr store1 > 148.676083947 ) or 
       bondedto (attr store1 < 53.9906386844  and attr store1 > 53.1906386844 ))) 
6 0.1 0.1 peak 166 volume 50.34903 ppm1 4.188 ppm2 1.693
 
! ############### C13_CNnoesy_manual.167 folded -
assi (attr store1 < 1.383 and attr store1 > 1.283 )
     ((attr store1 < 4.217 and attr store1 > 4.157 ) and 
      (bondedto (attr store1 < 149.503083947  and attr store1 > 148.703083947 ) or 
       bondedto (attr store1 < 54.0176386844  and attr store1 > 53.2176386844 ))) 
6 0.1 0.1 peak 167 volume 49.84471 ppm1 4.187 ppm2 1.333
 
! ############### C13_CNnoesy_manual.168 folded -
assi (attr store1 < 0.867 and attr store1 > 0.767 )
     ((attr store1 < 4.218 and attr store1 > 4.158 ) and 
      (bondedto (attr store1 < 149.492083947  and attr store1 > 148.692083947 ) or 
       bondedto (attr store1 < 54.0066386844  and attr store1 > 53.2066386844 ))) 
6 0.1 0.1 peak 168 volume 8.12432 ppm1 4.188 ppm2 0.817
 
! ############### C13_CNnoesy_manual.169 folded -
assi (attr store1 < 0.356 and attr store1 > 0.256 )
     ((attr store1 < 4.221 and attr store1 > 4.161 ) and 
      (bondedto (attr store1 < 149.524083947  and attr store1 > 148.724083947 ) or 
       bondedto (attr store1 < 54.0386386844  and attr store1 > 53.2386386844 ))) 
6 0.1 0.1 peak 169 volume 7.58267 ppm1 4.191 ppm2 0.306
 
! ############### C13_CNnoesy_manual.170 folded +
assi (attr store1 < 8.013 and attr store1 > 7.913 )
     ((attr store1 < 7.994 and attr store1 > 7.934 ) and 
      (bondedto (attr store1 < 125.521722631  and attr store1 > 124.721722631 ) or 
       bondedto (attr store1 < 77.779  and attr store1 > 76.979 ) or 
       bondedto (attr store1 < 30.0362773688  and attr store1 > 29.2362773688 ))) 
6 0.1 0.1 peak 170 volume 51.36124 ppm1 7.964 ppm2 7.963
 
! ############### C13_CNnoesy_manual.171 folded +
assi (attr store1 < 2.132 and attr store1 > 2.032 )
     ((attr store1 < 2.49 and attr store1 > 2.43 ) and 
      (bondedto (attr store1 < 125.543722631  and attr store1 > 124.743722631 ) or 
       bondedto (attr store1 < 77.801  and attr store1 > 77.001 ) or 
       bondedto (attr store1 < 30.0582773688  and attr store1 > 29.2582773688 ))) 
6 0.1 0.1 peak 171 volume 138.97466 ppm1 2.460 ppm2 2.082
 
! ############### C13_CNnoesy_manual.172 folded +
assi (attr store1 < 1.104 and attr store1 > 1.004 )
     ((attr store1 < 2.261 and attr store1 > 2.201 ) and 
      (bondedto (attr store1 < 125.535722631  and attr store1 > 124.735722631 ) or 
       bondedto (attr store1 < 77.793  and attr store1 > 76.993 ) or 
       bondedto (attr store1 < 30.0502773688  and attr store1 > 29.2502773688 ))) 
6 0.1 0.1 peak 172 volume 14.08507 ppm1 2.231 ppm2 1.054
 
! ############### C13_CNnoesy_manual.173 folded +
assi (attr store1 < 2.127 and attr store1 > 2.027 )
     ((attr store1 < 2.248 and attr store1 > 2.188 ) and 
      (bondedto (attr store1 < 125.532722631  and attr store1 > 124.732722631 ) or 
       bondedto (attr store1 < 77.79  and attr store1 > 76.99 ) or 
       bondedto (attr store1 < 30.0472773688  and attr store1 > 29.2472773688 ))) 
6 0.1 0.1 peak 173 volume 808.06091 ppm1 2.218 ppm2 2.077
 
! ############### C13_CNnoesy_manual.174 folded +
assi (attr store1 < 2.497 and attr store1 > 2.397 )
     ((attr store1 < 2.146 and attr store1 > 2.086 ) and 
      (bondedto (attr store1 < 125.479722631  and attr store1 > 124.679722631 ) or 
       bondedto (attr store1 < 77.737  and attr store1 > 76.937 ) or 
       bondedto (attr store1 < 29.9942773688  and attr store1 > 29.1942773688 ))) 
6 0.1 0.1 peak 174 volume 123.99084 ppm1 2.116 ppm2 2.447
 
! ############### C13_CNnoesy_manual.175 folded +
assi (attr store1 < 2.505 and attr store1 > 2.405 )
     ((attr store1 < 2.092 and attr store1 > 2.032 ) and 
      (bondedto (attr store1 < 125.531722631  and attr store1 > 124.731722631 ) or 
       bondedto (attr store1 < 77.789  and attr store1 > 76.989 ) or 
       bondedto (attr store1 < 30.0462773688  and attr store1 > 29.2462773688 ))) 
6 0.1 0.1 peak 175 volume 141.57927 ppm1 2.062 ppm2 2.455
 
! ############### C13_CNnoesy_manual.176 folded +
assi (attr store1 < 2.264 and attr store1 > 2.164 )
     ((attr store1 < 2.093 and attr store1 > 2.033 ) and 
      (bondedto (attr store1 < 125.548722631  and attr store1 > 124.748722631 ) or 
       bondedto (attr store1 < 77.806  and attr store1 > 77.006 ) or 
       bondedto (attr store1 < 30.0632773688  and attr store1 > 29.2632773688 ))) 
6 0.1 0.1 peak 176 volume 629.98041 ppm1 2.063 ppm2 2.214
 
! ############### C13_CNnoesy_manual.177 folded +
assi (attr store1 < 2.116 and attr store1 > 2.016 )
     ((attr store1 < 2.1 and attr store1 > 2.04 ) and 
      (bondedto (attr store1 < 125.500722631  and attr store1 > 124.700722631 ) or 
       bondedto (attr store1 < 77.758  and attr store1 > 76.958 ) or 
       bondedto (attr store1 < 30.0152773688  and attr store1 > 29.2152773688 ))) 
6 0.1 0.1 peak 177 volume 1300.15759 ppm1 2.070 ppm2 2.066
 
! ############### C13_CNnoesy_manual.178 folded +
assi (attr store1 < 3.406 and attr store1 > 3.306 )
     ((attr store1 < 2.042 and attr store1 > 1.982 ) and 
      (bondedto (attr store1 < 125.504722631  and attr store1 > 124.704722631 ) or 
       bondedto (attr store1 < 77.762  and attr store1 > 76.962 ) or 
       bondedto (attr store1 < 30.0192773688  and attr store1 > 29.2192773688 ))) 
6 0.1 0.1 peak 178 volume 9.62354 ppm1 2.012 ppm2 3.356
 
! ############### C13_CNnoesy_manual.179 folded +
assi (attr store1 < 3.382 and attr store1 > 3.282 )
     ((attr store1 < 1.989 and attr store1 > 1.929 ) and 
      (bondedto (attr store1 < 125.499722631  and attr store1 > 124.699722631 ) or 
       bondedto (attr store1 < 77.757  and attr store1 > 76.957 ) or 
       bondedto (attr store1 < 30.0142773688  and attr store1 > 29.2142773688 ))) 
6 0.1 0.1 peak 179 volume 11.61729 ppm1 1.959 ppm2 3.332
 
! ############### C13_CNnoesy_manual.180 folded +
assi (attr store1 < 2.049 and attr store1 > 1.949 )
     ((attr store1 < 1.84 and attr store1 > 1.78 ) and 
      (bondedto (attr store1 < 125.525722631  and attr store1 > 124.725722631 ) or 
       bondedto (attr store1 < 77.783  and attr store1 > 76.983 ) or 
       bondedto (attr store1 < 30.0402773688  and attr store1 > 29.2402773688 ))) 
6 0.1 0.1 peak 180 volume 170.57014 ppm1 1.810 ppm2 1.999
 
! ############### C13_CNnoesy_manual.181 folded +
assi (attr store1 < 8.466 and attr store1 > 8.366 )
     ((attr store1 < 1.834 and attr store1 > 1.774 ) and 
      (bondedto (attr store1 < 125.491722631  and attr store1 > 124.691722631 ) or 
       bondedto (attr store1 < 77.749  and attr store1 > 76.949 ) or 
       bondedto (attr store1 < 30.0062773688  and attr store1 > 29.2062773688 ))) 
6 0.1 0.1 peak 181 volume 11.26193 ppm1 1.804 ppm2 8.416
 
! ############### C13_CNnoesy_manual.182 folded +
assi (attr store1 < 7.056 and attr store1 > 6.956 )
     ((attr store1 < 2.266 and attr store1 > 2.206 ) and 
      (bondedto (attr store1 < 125.435722631  and attr store1 > 124.635722631 ) or 
       bondedto (attr store1 < 77.693  and attr store1 > 76.893 ) or 
       bondedto (attr store1 < 29.9502773688  and attr store1 > 29.1502773688 ))) 
6 0.1 0.1 peak 182 volume 11.47833 ppm1 2.236 ppm2 7.006
 
! ############### C13_CNnoesy_manual.183 folded +
assi (attr store1 < 7.054 and attr store1 > 6.954 )
     ((attr store1 < 2.142 and attr store1 > 2.082 ) and 
      (bondedto (attr store1 < 125.435722631  and attr store1 > 124.635722631 ) or 
       bondedto (attr store1 < 77.693  and attr store1 > 76.893 ) or 
       bondedto (attr store1 < 29.9502773688  and attr store1 > 29.1502773688 ))) 
6 0.1 0.1 peak 183 volume 11.28570 ppm1 2.112 ppm2 7.004
 
! ############### C13_CNnoesy_manual.184 folded +
assi (attr store1 < 1.093 and attr store1 > 0.993 )
     ((attr store1 < 2.141 and attr store1 > 2.081 ) and 
      (bondedto (attr store1 < 125.438722631  and attr store1 > 124.638722631 ) or 
       bondedto (attr store1 < 77.696  and attr store1 > 76.896 ) or 
       bondedto (attr store1 < 29.9532773688  and attr store1 > 29.1532773688 ))) 
6 0.1 0.1 peak 184 volume 14.90298 ppm1 2.111 ppm2 1.043
 
! ############### C13_CNnoesy_manual.185 folded +
assi (attr store1 < 4.32 and attr store1 > 4.22 )
     ((attr store1 < 2.138 and attr store1 > 2.078 ) and 
      (bondedto (attr store1 < 125.448722631  and attr store1 > 124.648722631 ) or 
       bondedto (attr store1 < 77.706  and attr store1 > 76.906 ) or 
       bondedto (attr store1 < 29.9632773688  and attr store1 > 29.1632773688 ))) 
6 0.1 0.1 peak 185 volume 48.37976 ppm1 2.108 ppm2 4.270
 
! ############### C13_CNnoesy_manual.186 folded +
assi (attr store1 < 4.352 and attr store1 > 4.252 )
     ((attr store1 < 2.041 and attr store1 > 1.981 ) and 
      (bondedto (attr store1 < 125.468722631  and attr store1 > 124.668722631 ) or 
       bondedto (attr store1 < 77.726  and attr store1 > 76.926 ) or 
       bondedto (attr store1 < 29.9832773688  and attr store1 > 29.1832773688 ))) 
6 0.1 0.1 peak 186 volume 26.83047 ppm1 2.011 ppm2 4.302
 
! ############### C13_CNnoesy_manual.187 folded +
assi (attr store1 < 4.348 and attr store1 > 4.248 )
     ((attr store1 < 1.982 and attr store1 > 1.922 ) and 
      (bondedto (attr store1 < 125.444722631  and attr store1 > 124.644722631 ) or 
       bondedto (attr store1 < 77.702  and attr store1 > 76.902 ) or 
       bondedto (attr store1 < 29.9592773688  and attr store1 > 29.1592773688 ))) 
6 0.1 0.1 peak 187 volume 26.83199 ppm1 1.952 ppm2 4.298
 
! ############### C13_CNnoesy_manual.188 folded +
assi (attr store1 < 2.014 and attr store1 > 1.914 )
     ((attr store1 < 1.973 and attr store1 > 1.913 ) and 
      (bondedto (attr store1 < 125.437722631  and attr store1 > 124.637722631 ) or 
       bondedto (attr store1 < 77.695  and attr store1 > 76.895 ) or 
       bondedto (attr store1 < 29.9522773688  and attr store1 > 29.1522773688 ))) 
6 0.1 0.1 peak 188 volume 368.53152 ppm1 1.943 ppm2 1.964
 
! ############### C13_CNnoesy_manual.189 folded +
assi (attr store1 < 2.233 and attr store1 > 2.133 )
     ((attr store1 < 1.948 and attr store1 > 1.888 ) and 
      (bondedto (attr store1 < 125.425722631  and attr store1 > 124.625722631 ) or 
       bondedto (attr store1 < 77.683  and attr store1 > 76.883 ) or 
       bondedto (attr store1 < 29.9402773688  and attr store1 > 29.1402773688 ))) 
6 0.1 0.1 peak 189 volume 46.41539 ppm1 1.918 ppm2 2.183
 
! ############### C13_CNnoesy_manual.190 folded +
assi (attr store1 < 1.979 and attr store1 > 1.879 )
     ((attr store1 < 1.952 and attr store1 > 1.892 ) and 
      (bondedto (attr store1 < 125.414722631  and attr store1 > 124.614722631 ) or 
       bondedto (attr store1 < 77.672  and attr store1 > 76.872 ) or 
       bondedto (attr store1 < 29.9292773688  and attr store1 > 29.1292773688 ))) 
6 0.1 0.1 peak 190 volume 291.98907 ppm1 1.922 ppm2 1.929
 
! ############### C13_CNnoesy_manual.191 folded +
assi (attr store1 < 2.236 and attr store1 > 2.136 )
     ((attr store1 < 1.242 and attr store1 > 1.182 ) and 
      (bondedto (attr store1 < 125.398722631  and attr store1 > 124.598722631 ) or 
       bondedto (attr store1 < 77.656  and attr store1 > 76.856 ) or 
       bondedto (attr store1 < 29.9132773688  and attr store1 > 29.1132773688 ))) 
6 0.1 0.1 peak 191 volume 22.02139 ppm1 1.212 ppm2 2.186
 
! ############### C13_CNnoesy_manual.192 folded +
assi (attr store1 < 1.085 and attr store1 > 0.985 )
     ((attr store1 < 1.06 and attr store1 > 1.0 ) and 
      (bondedto (attr store1 < 125.470722631  and attr store1 > 124.670722631 ) or 
       bondedto (attr store1 < 77.728  and attr store1 > 76.928 ) or 
       bondedto (attr store1 < 29.9852773688  and attr store1 > 29.1852773688 ))) 
6 0.1 0.1 peak 192 volume 173.58694 ppm1 1.030 ppm2 1.035
 
! ############### C13_CNnoesy_manual.193 folded +
assi (attr store1 < 3.413 and attr store1 > 3.313 )
     ((attr store1 < 3.398 and attr store1 > 3.338 ) and 
      (bondedto (attr store1 < 125.291722631  and attr store1 > 124.491722631 ) or 
       bondedto (attr store1 < 77.549  and attr store1 > 76.749 ) or 
       bondedto (attr store1 < 29.8062773688  and attr store1 > 29.0062773688 ))) 
6 0.1 0.1 peak 193 volume 79.94444 ppm1 3.368 ppm2 3.363
 
! ############### C13_CNnoesy_manual.194 folded +
assi (attr store1 < 8.228 and attr store1 > 8.128 )
     ((attr store1 < 1.945 and attr store1 > 1.885 ) and 
      (bondedto (attr store1 < 125.367722631  and attr store1 > 124.567722631 ) or 
       bondedto (attr store1 < 77.625  and attr store1 > 76.825 ) or 
       bondedto (attr store1 < 29.8822773688  and attr store1 > 29.0822773688 ))) 
6 0.1 0.1 peak 194 volume 30.81830 ppm1 1.915 ppm2 8.178
 
! ############### C13_CNnoesy_manual.195 folded +
assi (attr store1 < 1.261 and attr store1 > 1.161 )
     ((attr store1 < 1.945 and attr store1 > 1.885 ) and 
      (bondedto (attr store1 < 125.367722631  and attr store1 > 124.567722631 ) or 
       bondedto (attr store1 < 77.625  and attr store1 > 76.825 ) or 
       bondedto (attr store1 < 29.8822773688  and attr store1 > 29.0822773688 ))) 
6 0.1 0.1 peak 195 volume 130.95938 ppm1 1.915 ppm2 1.211
 
! ############### C13_CNnoesy_manual.196 folded +
assi (attr store1 < 0.938 and attr store1 > 0.838 )
     ((attr store1 < 1.944 and attr store1 > 1.884 ) and 
      (bondedto (attr store1 < 125.368722631  and attr store1 > 124.568722631 ) or 
       bondedto (attr store1 < 77.626  and attr store1 > 76.826 ) or 
       bondedto (attr store1 < 29.8832773688  and attr store1 > 29.0832773688 ))) 
6 0.1 0.1 peak 196 volume 58.74506 ppm1 1.914 ppm2 0.888
 
! ############### C13_CNnoesy_manual.197 folded +
assi (attr store1 < 3.869 and attr store1 > 3.769 )
     ((attr store1 < 1.941 and attr store1 > 1.881 ) and 
      (bondedto (attr store1 < 125.364722631  and attr store1 > 124.564722631 ) or 
       bondedto (attr store1 < 77.622  and attr store1 > 76.822 ) or 
       bondedto (attr store1 < 29.8792773688  and attr store1 > 29.0792773688 ))) 
6 0.1 0.1 peak 197 volume 24.60303 ppm1 1.911 ppm2 3.819
 
! ############### C13_CNnoesy_manual.198 folded +
assi (attr store1 < 4.186 and attr store1 > 4.086 )
     ((attr store1 < 1.818 and attr store1 > 1.758 ) and 
      (bondedto (attr store1 < 125.347722631  and attr store1 > 124.547722631 ) or 
       bondedto (attr store1 < 77.605  and attr store1 > 76.805 ) or 
       bondedto (attr store1 < 29.8622773688  and attr store1 > 29.0622773688 ))) 
6 0.1 0.1 peak 198 volume 30.09815 ppm1 1.788 ppm2 4.136
 
! ############### C13_CNnoesy_manual.199 folded +
assi (attr store1 < 3.869 and attr store1 > 3.769 )
     ((attr store1 < 1.24 and attr store1 > 1.18 ) and 
      (bondedto (attr store1 < 125.352722631  and attr store1 > 124.552722631 ) or 
       bondedto (attr store1 < 77.61  and attr store1 > 76.81 ) or 
       bondedto (attr store1 < 29.8672773688  and attr store1 > 29.0672773688 ))) 
6 0.1 0.1 peak 199 volume 28.27549 ppm1 1.210 ppm2 3.819
 
! ############### C13_CNnoesy_manual.200 folded +
assi (attr store1 < 1.964 and attr store1 > 1.864 )
     ((attr store1 < 1.242 and attr store1 > 1.182 ) and 
      (bondedto (attr store1 < 125.379722631  and attr store1 > 124.579722631 ) or 
       bondedto (attr store1 < 77.637  and attr store1 > 76.837 ) or 
       bondedto (attr store1 < 29.8942773688  and attr store1 > 29.0942773688 ))) 
6 0.1 0.1 peak 200 volume 127.40549 ppm1 1.212 ppm2 1.914
 
! ############### C13_CNnoesy_manual.201 folded +
assi (attr store1 < 1.262 and attr store1 > 1.162 )
     ((attr store1 < 1.244 and attr store1 > 1.184 ) and 
      (bondedto (attr store1 < 125.350722631  and attr store1 > 124.550722631 ) or 
       bondedto (attr store1 < 77.608  and attr store1 > 76.808 ) or 
       bondedto (attr store1 < 29.8652773688  and attr store1 > 29.0652773688 ))) 
6 0.1 0.1 peak 201 volume 209.31793 ppm1 1.214 ppm2 1.212
 
! ############### C13_CNnoesy_manual.202 folded +
assi (attr store1 < 1.096 and attr store1 > 0.996 )
     ((attr store1 < 1.241 and attr store1 > 1.181 ) and 
      (bondedto (attr store1 < 125.365722631  and attr store1 > 124.565722631 ) or 
       bondedto (attr store1 < 77.623  and attr store1 > 76.823 ) or 
       bondedto (attr store1 < 29.8802773688  and attr store1 > 29.0802773688 ))) 
6 0.1 0.1 peak 202 volume 39.63405 ppm1 1.211 ppm2 1.046
 
! ############### C13_CNnoesy_manual.203 folded +
assi (attr store1 < 8.225 and attr store1 > 8.125 )
     ((attr store1 < 1.239 and attr store1 > 1.179 ) and 
      (bondedto (attr store1 < 125.350722631  and attr store1 > 124.550722631 ) or 
       bondedto (attr store1 < 77.608  and attr store1 > 76.808 ) or 
       bondedto (attr store1 < 29.8652773688  and attr store1 > 29.0652773688 ))) 
6 0.1 0.1 peak 203 volume 17.75161 ppm1 1.209 ppm2 8.175
 
! ############### C13_CNnoesy_manual.204 folded +
assi (attr store1 < 0.936 and attr store1 > 0.836 )
     ((attr store1 < 1.24 and attr store1 > 1.18 ) and 
      (bondedto (attr store1 < 125.369722631  and attr store1 > 124.569722631 ) or 
       bondedto (attr store1 < 77.627  and attr store1 > 76.827 ) or 
       bondedto (attr store1 < 29.8842773688  and attr store1 > 29.0842773688 ))) 
6 0.1 0.1 peak 204 volume 62.52313 ppm1 1.210 ppm2 0.886
 
! ############### C13_CNnoesy_manual.205 folded -
assi (attr store1 < 3.074 and attr store1 > 2.974 )
     ((attr store1 < 3.051 and attr store1 > 2.991 ) and 
      (bondedto (attr store1 < 149.238083947  and attr store1 > 148.438083947 ) or 
       bondedto (attr store1 < 53.7526386844  and attr store1 > 52.9526386844 ))) 
6 0.1 0.1 peak 205 volume 53.22149 ppm1 3.021 ppm2 3.024
 
! ############### C13_CNnoesy_manual.206 folded -
assi (attr store1 < 1.18 and attr store1 > 1.08 )
     ((attr store1 < 1.163 and attr store1 > 1.103 ) and 
      (bondedto (attr store1 < 149.192083947  and attr store1 > 148.392083947 ) or 
       bondedto (attr store1 < 53.7066386844  and attr store1 > 52.9066386844 ))) 
6 0.1 0.1 peak 206 volume 42.45633 ppm1 1.133 ppm2 1.130
 
! ############### C13_CNnoesy_manual.207 folded +
assi (attr store1 < 2.655 and attr store1 > 2.555 )
     ((attr store1 < 2.439 and attr store1 > 2.379 ) and 
      (bondedto (attr store1 < 125.258722631  and attr store1 > 124.458722631 ) or 
       bondedto (attr store1 < 77.516  and attr store1 > 76.716 ) or 
       bondedto (attr store1 < 29.7732773688  and attr store1 > 28.9732773688 ))) 
6 0.1 0.1 peak 207 volume 96.48462 ppm1 2.409 ppm2 2.605
 
! ############### C13_CNnoesy_manual.208 folded +
assi (attr store1 < 7.852 and attr store1 > 7.752 )
     ((attr store1 < 2.435 and attr store1 > 2.375 ) and 
      (bondedto (attr store1 < 125.252722631  and attr store1 > 124.452722631 ) or 
       bondedto (attr store1 < 77.51  and attr store1 > 76.71 ) or 
       bondedto (attr store1 < 29.7672773688  and attr store1 > 28.9672773688 ))) 
6 0.1 0.1 peak 208 volume 9.56285 ppm1 2.405 ppm2 7.802
 
! ############### C13_CNnoesy_manual.209 folded +
assi (attr store1 < 4.44 and attr store1 > 4.34 )
     ((attr store1 < 2.433 and attr store1 > 2.373 ) and 
      (bondedto (attr store1 < 125.248722631  and attr store1 > 124.448722631 ) or 
       bondedto (attr store1 < 77.506  and attr store1 > 76.706 ) or 
       bondedto (attr store1 < 29.7632773688  and attr store1 > 28.9632773688 ))) 
6 0.1 0.1 peak 209 volume 30.32195 ppm1 2.403 ppm2 4.390
 
! ############### C13_CNnoesy_manual.210 folded +
assi (attr store1 < 2.313 and attr store1 > 2.213 )
     ((attr store1 < 2.434 and attr store1 > 2.374 ) and 
      (bondedto (attr store1 < 125.280722631  and attr store1 > 124.480722631 ) or 
       bondedto (attr store1 < 77.538  and attr store1 > 76.738 ) or 
       bondedto (attr store1 < 29.7952773688  and attr store1 > 28.9952773688 ))) 
6 0.1 0.1 peak 210 volume 183.77365 ppm1 2.404 ppm2 2.263
 
! ############### C13_CNnoesy_manual.211 folded +
assi (attr store1 < 7.847 and attr store1 > 7.747 )
     ((attr store1 < 2.286 and attr store1 > 2.226 ) and 
      (bondedto (attr store1 < 125.258722631  and attr store1 > 124.458722631 ) or 
       bondedto (attr store1 < 77.516  and attr store1 > 76.716 ) or 
       bondedto (attr store1 < 29.7732773688  and attr store1 > 28.9732773688 ))) 
6 0.1 0.1 peak 211 volume 13.48100 ppm1 2.256 ppm2 7.797
 
! ############### C13_CNnoesy_manual.212 folded +
assi (attr store1 < 4.449 and attr store1 > 4.349 )
     ((attr store1 < 2.286 and attr store1 > 2.226 ) and 
      (bondedto (attr store1 < 125.272722631  and attr store1 > 124.472722631 ) or 
       bondedto (attr store1 < 77.53  and attr store1 > 76.73 ) or 
       bondedto (attr store1 < 29.7872773688  and attr store1 > 28.9872773688 ))) 
6 0.1 0.1 peak 212 volume 27.71476 ppm1 2.256 ppm2 4.399
 
! ############### C13_CNnoesy_manual.213 folded +
assi (attr store1 < 2.655 and attr store1 > 2.555 )
     ((attr store1 < 2.287 and attr store1 > 2.227 ) and 
      (bondedto (attr store1 < 125.259722631  and attr store1 > 124.459722631 ) or 
       bondedto (attr store1 < 77.517  and attr store1 > 76.717 ) or 
       bondedto (attr store1 < 29.7742773688  and attr store1 > 28.9742773688 ))) 
6 0.1 0.1 peak 213 volume 81.91368 ppm1 2.257 ppm2 2.605
 
! ############### C13_CNnoesy_manual.214 folded +
assi (attr store1 < 3.11 and attr store1 > 3.01 )
     ((attr store1 < 1.806 and attr store1 > 1.746 ) and 
      (bondedto (attr store1 < 125.206722631  and attr store1 > 124.406722631 ) or 
       bondedto (attr store1 < 77.464  and attr store1 > 76.664 ) or 
       bondedto (attr store1 < 29.7212773688  and attr store1 > 28.9212773688 ))) 
6 0.1 0.1 peak 214 volume 95.04892 ppm1 1.776 ppm2 3.060
 
! ############### C13_CNnoesy_manual.215 folded +
assi (attr store1 < 3.249 and attr store1 > 3.149 )
     ((attr store1 < 3.239 and attr store1 > 3.179 ) and 
      (bondedto (attr store1 < 125.161722631  and attr store1 > 124.361722631 ) or 
       bondedto (attr store1 < 77.419  and attr store1 > 76.619 ) or 
       bondedto (attr store1 < 29.6762773688  and attr store1 > 28.8762773688 ))) 
6 0.1 0.1 peak 215 volume 297.07907 ppm1 3.209 ppm2 3.199
 
! ############### C13_CNnoesy_manual.216 folded +
assi (attr store1 < 4.607 and attr store1 > 4.507 )
     ((attr store1 < 3.229 and attr store1 > 3.169 ) and 
      (bondedto (attr store1 < 125.150722631  and attr store1 > 124.350722631 ) or 
       bondedto (attr store1 < 77.408  and attr store1 > 76.608 ) or 
       bondedto (attr store1 < 29.6652773688  and attr store1 > 28.8652773688 ))) 
6 0.1 0.1 peak 216 volume 49.48137 ppm1 3.199 ppm2 4.557
 
! ############### C13_CNnoesy_manual.217 folded +
assi (attr store1 < 7.079 and attr store1 > 6.979 )
     ((attr store1 < 3.219 and attr store1 > 3.159 ) and 
      (bondedto (attr store1 < 125.134722631  and attr store1 > 124.334722631 ) or 
       bondedto (attr store1 < 77.392  and attr store1 > 76.592 ) or 
       bondedto (attr store1 < 29.6492773688  and attr store1 > 28.8492773688 ))) 
6 0.1 0.1 peak 217 volume 13.26291 ppm1 3.189 ppm2 7.029
 
! ############### C13_CNnoesy_manual.218 folded +
assi (attr store1 < 1.998 and attr store1 > 1.898 )
     ((attr store1 < 1.801 and attr store1 > 1.741 ) and 
      (bondedto (attr store1 < 125.169722631  and attr store1 > 124.369722631 ) or 
       bondedto (attr store1 < 77.427  and attr store1 > 76.627 ) or 
       bondedto (attr store1 < 29.6842773688  and attr store1 > 28.8842773688 ))) 
6 0.1 0.1 peak 218 volume 194.14859 ppm1 1.771 ppm2 1.948
 
! ############### C13_CNnoesy_manual.219 folded +
assi (attr store1 < 1.823 and attr store1 > 1.723 )
     ((attr store1 < 1.803 and attr store1 > 1.743 ) and 
      (bondedto (attr store1 < 125.155722631  and attr store1 > 124.355722631 ) or 
       bondedto (attr store1 < 77.413  and attr store1 > 76.613 ) or 
       bondedto (attr store1 < 29.6702773688  and attr store1 > 28.8702773688 ))) 
6 0.1 0.1 peak 219 volume 11288.80664 ppm1 1.773 ppm2 1.773
 
! ############### C13_CNnoesy_manual.220 folded +
assi (attr store1 < 1.588 and attr store1 > 1.488 )
     ((attr store1 < 1.802 and attr store1 > 1.742 ) and 
      (bondedto (attr store1 < 125.134722631  and attr store1 > 124.334722631 ) or 
       bondedto (attr store1 < 77.392  and attr store1 > 76.592 ) or 
       bondedto (attr store1 < 29.6492773688  and attr store1 > 28.8492773688 ))) 
6 0.1 0.1 peak 220 volume 952.99213 ppm1 1.772 ppm2 1.538
 
! ############### C13_CNnoesy_manual.221 folded +
assi (attr store1 < 2.293 and attr store1 > 2.193 )
     ((attr store1 < 1.796 and attr store1 > 1.736 ) and 
      (bondedto (attr store1 < 125.152722631  and attr store1 > 124.352722631 ) or 
       bondedto (attr store1 < 77.41  and attr store1 > 76.61 ) or 
       bondedto (attr store1 < 29.6672773688  and attr store1 > 28.8672773688 ))) 
6 0.1 0.1 peak 221 volume 19.02265 ppm1 1.766 ppm2 2.243
 
! ############### C13_CNnoesy_manual.222 folded +
assi (attr store1 < 2.956 and attr store1 > 2.856 )
     ((attr store1 < 1.66 and attr store1 > 1.6 ) and 
      (bondedto (attr store1 < 125.159722631  and attr store1 > 124.359722631 ) or 
       bondedto (attr store1 < 77.417  and attr store1 > 76.617 ) or 
       bondedto (attr store1 < 29.6742773688  and attr store1 > 28.8742773688 ))) 
6 0.1 0.1 peak 222 volume 49.95830 ppm1 1.630 ppm2 2.906
 
! ############### C13_CNnoesy_manual.223 folded +
assi (attr store1 < 1.681 and attr store1 > 1.581 )
     ((attr store1 < 1.662 and attr store1 > 1.602 ) and 
      (bondedto (attr store1 < 125.161722631  and attr store1 > 124.361722631 ) or 
       bondedto (attr store1 < 77.419  and attr store1 > 76.619 ) or 
       bondedto (attr store1 < 29.6762773688  and attr store1 > 28.8762773688 ))) 
6 0.1 0.1 peak 223 volume 2742.55054 ppm1 1.632 ppm2 1.631
 
! ############### C13_CNnoesy_manual.224 folded +
assi (attr store1 < 1.51 and attr store1 > 1.41 )
     ((attr store1 < 1.658 and attr store1 > 1.598 ) and 
      (bondedto (attr store1 < 125.147722631  and attr store1 > 124.347722631 ) or 
       bondedto (attr store1 < 77.405  and attr store1 > 76.605 ) or 
       bondedto (attr store1 < 29.6622773688  and attr store1 > 28.8622773688 ))) 
6 0.1 0.1 peak 224 volume 23.29238 ppm1 1.628 ppm2 1.460
 
! ############### C13_CNnoesy_manual.225 folded +
assi (attr store1 < 1.345 and attr store1 > 1.245 )
     ((attr store1 < 1.662 and attr store1 > 1.602 ) and 
      (bondedto (attr store1 < 125.155722631  and attr store1 > 124.355722631 ) or 
       bondedto (attr store1 < 77.413  and attr store1 > 76.613 ) or 
       bondedto (attr store1 < 29.6702773688  and attr store1 > 28.8702773688 ))) 
6 0.1 0.1 peak 225 volume 119.30902 ppm1 1.632 ppm2 1.295
 
! ############### C13_CNnoesy_manual.226 folded +
assi (attr store1 < 1.062 and attr store1 > 0.962 )
     ((attr store1 < 1.662 and attr store1 > 1.602 ) and 
      (bondedto (attr store1 < 125.169722631  and attr store1 > 124.369722631 ) or 
       bondedto (attr store1 < 77.427  and attr store1 > 76.627 ) or 
       bondedto (attr store1 < 29.6842773688  and attr store1 > 28.8842773688 ))) 
6 0.1 0.1 peak 226 volume 8.81395 ppm1 1.632 ppm2 1.012
 
! ############### C13_CNnoesy_manual.227 folded +
assi (attr store1 < 1.68 and attr store1 > 1.58 )
     ((attr store1 < 1.337 and attr store1 > 1.277 ) and 
      (bondedto (attr store1 < 125.150722631  and attr store1 > 124.350722631 ) or 
       bondedto (attr store1 < 77.408  and attr store1 > 76.608 ) or 
       bondedto (attr store1 < 29.6652773688  and attr store1 > 28.8652773688 ))) 
6 0.1 0.1 peak 227 volume 33.62081 ppm1 1.307 ppm2 1.630
 
! ############### C13_CNnoesy_manual.228 folded +
assi (attr store1 < 1.679 and attr store1 > 1.579 )
     ((attr store1 < 1.291 and attr store1 > 1.231 ) and 
      (bondedto (attr store1 < 125.155722631  and attr store1 > 124.355722631 ) or 
       bondedto (attr store1 < 77.413  and attr store1 > 76.613 ) or 
       bondedto (attr store1 < 29.6702773688  and attr store1 > 28.8702773688 ))) 
6 0.1 0.1 peak 228 volume 37.10081 ppm1 1.261 ppm2 1.629
 
! ############### C13_CNnoesy_manual.229 folded +
assi (attr store1 < 7.641 and attr store1 > 7.541 )
     ((attr store1 < 7.339 and attr store1 > 7.279 ) and 
      (bondedto (attr store1 < 125.074722631  and attr store1 > 124.274722631 ) or 
       bondedto (attr store1 < 77.332  and attr store1 > 76.532 ) or 
       bondedto (attr store1 < 29.5892773688  and attr store1 > 28.7892773688 ))) 
6 0.1 0.1 peak 229 volume 114.32152 ppm1 7.309 ppm2 7.591
 
! ############### C13_CNnoesy_manual.230 folded +
assi (attr store1 < 7.359 and attr store1 > 7.259 )
     ((attr store1 < 7.34 and attr store1 > 7.28 ) and 
      (bondedto (attr store1 < 125.055722631  and attr store1 > 124.255722631 ) or 
       bondedto (attr store1 < 77.313  and attr store1 > 76.513 ) or 
       bondedto (attr store1 < 29.5702773688  and attr store1 > 28.7702773688 ))) 
6 0.1 0.1 peak 230 volume 535.73004 ppm1 7.310 ppm2 7.309
 
! ############### C13_CNnoesy_manual.231 folded +
assi (attr store1 < 2.108 and attr store1 > 2.008 )
     ((attr store1 < 2.245 and attr store1 > 2.185 ) and 
      (bondedto (attr store1 < 124.982722631  and attr store1 > 124.182722631 ) or 
       bondedto (attr store1 < 77.24  and attr store1 > 76.44 ) or 
       bondedto (attr store1 < 29.4972773688  and attr store1 > 28.6972773688 ))) 
6 0.1 0.1 peak 231 volume 628.29761 ppm1 2.215 ppm2 2.058
 
! ############### C13_CNnoesy_manual.232 folded +
assi (attr store1 < 2.264 and attr store1 > 2.164 )
     ((attr store1 < 2.241 and attr store1 > 2.181 ) and 
      (bondedto (attr store1 < 124.995722631  and attr store1 > 124.195722631 ) or 
       bondedto (attr store1 < 77.253  and attr store1 > 76.453 ) or 
       bondedto (attr store1 < 29.5102773688  and attr store1 > 28.7102773688 ))) 
6 0.1 0.1 peak 232 volume 1428.15479 ppm1 2.211 ppm2 2.214
 
! ############### C13_CNnoesy_manual.233 folded +
assi (attr store1 < 2.263 and attr store1 > 2.163 )
     ((attr store1 < 2.084 and attr store1 > 2.024 ) and 
      (bondedto (attr store1 < 124.952722631  and attr store1 > 124.152722631 ) or 
       bondedto (attr store1 < 77.21  and attr store1 > 76.41 ) or 
       bondedto (attr store1 < 29.4672773688  and attr store1 > 28.6672773688 ))) 
6 0.1 0.1 peak 233 volume 560.96271 ppm1 2.054 ppm2 2.213
 
! ############### C13_CNnoesy_manual.234 folded +
assi (attr store1 < 2.1 and attr store1 > 2.0 )
     ((attr store1 < 2.083 and attr store1 > 2.023 ) and 
      (bondedto (attr store1 < 124.941722631  and attr store1 > 124.141722631 ) or 
       bondedto (attr store1 < 77.199  and attr store1 > 76.399 ) or 
       bondedto (attr store1 < 29.4562773688  and attr store1 > 28.6562773688 ))) 
6 0.1 0.1 peak 234 volume 1369.98840 ppm1 2.053 ppm2 2.050
 
! ############### C13_CNnoesy_manual.235 folded +
assi (attr store1 < 7.067 and attr store1 > 6.967 )
     ((attr store1 < 1.833 and attr store1 > 1.773 ) and 
      (bondedto (attr store1 < 124.959722631  and attr store1 > 124.159722631 ) or 
       bondedto (attr store1 < 77.217  and attr store1 > 76.417 ) or 
       bondedto (attr store1 < 29.4742773688  and attr store1 > 28.6742773688 ))) 
6 0.1 0.1 peak 235 volume 9.58535 ppm1 1.803 ppm2 7.017
 
! ############### C13_CNnoesy_manual.236 folded +
assi (attr store1 < 4.363 and attr store1 > 4.263 )
     ((attr store1 < 1.833 and attr store1 > 1.773 ) and 
      (bondedto (attr store1 < 124.984722631  and attr store1 > 124.184722631 ) or 
       bondedto (attr store1 < 77.242  and attr store1 > 76.442 ) or 
       bondedto (attr store1 < 29.4992773688  and attr store1 > 28.6992773688 ))) 
6 0.1 0.1 peak 236 volume 34.83292 ppm1 1.803 ppm2 4.313
 
! ############### C13_CNnoesy_manual.237 folded +
assi (attr store1 < 1.087 and attr store1 > 0.987 )
     ((attr store1 < 1.832 and attr store1 > 1.772 ) and 
      (bondedto (attr store1 < 125.000722631  and attr store1 > 124.200722631 ) or 
       bondedto (attr store1 < 77.258  and attr store1 > 76.458 ) or 
       bondedto (attr store1 < 29.5152773688  and attr store1 > 28.7152773688 ))) 
6 0.1 0.1 peak 237 volume 43.44151 ppm1 1.802 ppm2 1.037
 
! ############### C13_CNnoesy_manual.238 folded +
assi (attr store1 < 0.958 and attr store1 > 0.858 )
     ((attr store1 < 1.831 and attr store1 > 1.771 ) and 
      (bondedto (attr store1 < 124.963722631  and attr store1 > 124.163722631 ) or 
       bondedto (attr store1 < 77.221  and attr store1 > 76.421 ) or 
       bondedto (attr store1 < 29.4782773688  and attr store1 > 28.6782773688 ))) 
6 0.1 0.1 peak 238 volume 18.04412 ppm1 1.801 ppm2 0.908
 
! ############### C13_CNnoesy_manual.239 folded -
assi (attr store1 < 2.867 and attr store1 > 2.767 )
     ((attr store1 < 2.846 and attr store1 > 2.786 ) and 
      (bondedto (attr store1 < 148.842083947  and attr store1 > 148.042083947 ) or 
       bondedto (attr store1 < 53.3566386844  and attr store1 > 52.5566386844 ))) 
6 0.1 0.1 peak 239 volume 42.87459 ppm1 2.816 ppm2 2.817
 
! ############### C13_CNnoesy_manual.240 folded +
assi (attr store1 < 3.139 and attr store1 > 3.039 )
     ((attr store1 < 3.117 and attr store1 > 3.057 ) and 
      (bondedto (attr store1 < 124.872722631  and attr store1 > 124.072722631 ) or 
       bondedto (attr store1 < 77.13  and attr store1 > 76.33 ) or 
       bondedto (attr store1 < 29.3872773688  and attr store1 > 28.5872773688 ))) 
6 0.1 0.1 peak 240 volume 47.98005 ppm1 3.087 ppm2 3.089
 
! ############### C13_CNnoesy_manual.241 folded -
assi (attr store1 < 1.386 and attr store1 > 1.286 )
     ((attr store1 < 1.364 and attr store1 > 1.304 ) and 
      (bondedto (attr store1 < 148.706083947  and attr store1 > 147.906083947 ) or 
       bondedto (attr store1 < 53.2206386844  and attr store1 > 52.4206386844 ))) 
6 0.1 0.1 peak 241 volume 51.61178 ppm1 1.334 ppm2 1.336
 
! ############### C13_CNnoesy_manual.242 folded +
assi (attr store1 < 8.388 and attr store1 > 8.288 )
     ((attr store1 < 3.491 and attr store1 > 3.431 ) and 
      (bondedto (attr store1 < 124.782722631  and attr store1 > 123.982722631 ) or 
       bondedto (attr store1 < 77.04  and attr store1 > 76.24 ) or 
       bondedto (attr store1 < 29.2972773688  and attr store1 > 28.4972773688 ))) 
6 0.1 0.1 peak 242 volume 16.52927 ppm1 3.461 ppm2 8.338
 
! ############### C13_CNnoesy_manual.243 folded +
assi (attr store1 < 8.04 and attr store1 > 7.94 )
     ((attr store1 < 3.489 and attr store1 > 3.429 ) and 
      (bondedto (attr store1 < 124.777722631  and attr store1 > 123.977722631 ) or 
       bondedto (attr store1 < 77.035  and attr store1 > 76.235 ) or 
       bondedto (attr store1 < 29.2922773688  and attr store1 > 28.4922773688 ))) 
6 0.1 0.1 peak 243 volume 19.68618 ppm1 3.459 ppm2 7.990
 
! ############### C13_CNnoesy_manual.244 folded +
assi (attr store1 < 7.776 and attr store1 > 7.676 )
     ((attr store1 < 3.489 and attr store1 > 3.429 ) and 
      (bondedto (attr store1 < 124.764722631  and attr store1 > 123.964722631 ) or 
       bondedto (attr store1 < 77.022  and attr store1 > 76.222 ) or 
       bondedto (attr store1 < 29.2792773688  and attr store1 > 28.4792773688 ))) 
6 0.1 0.1 peak 244 volume 22.27461 ppm1 3.459 ppm2 7.726
 
! ############### C13_CNnoesy_manual.245 folded +
assi (attr store1 < 7.506 and attr store1 > 7.406 )
     ((attr store1 < 3.489 and attr store1 > 3.429 ) and 
      (bondedto (attr store1 < 124.759722631  and attr store1 > 123.959722631 ) or 
       bondedto (attr store1 < 77.017  and attr store1 > 76.217 ) or 
       bondedto (attr store1 < 29.2742773688  and attr store1 > 28.4742773688 ))) 
6 0.1 0.1 peak 245 volume 19.79667 ppm1 3.459 ppm2 7.456
 
! ############### C13_CNnoesy_manual.246 folded +
assi (attr store1 < 4.891 and attr store1 > 4.791 )
     ((attr store1 < 3.492 and attr store1 > 3.432 ) and 
      (bondedto (attr store1 < 124.757722631  and attr store1 > 123.957722631 ) or 
       bondedto (attr store1 < 77.015  and attr store1 > 76.215 ) or 
       bondedto (attr store1 < 29.2722773688  and attr store1 > 28.4722773688 ))) 
6 0.1 0.1 peak 246 volume 22.59586 ppm1 3.462 ppm2 4.841
 
! ############### C13_CNnoesy_manual.247 folded +
assi (attr store1 < 4.616 and attr store1 > 4.516 )
     ((attr store1 < 3.49 and attr store1 > 3.43 ) and 
      (bondedto (attr store1 < 124.745722631  and attr store1 > 123.945722631 ) or 
       bondedto (attr store1 < 77.003  and attr store1 > 76.203 ) or 
       bondedto (attr store1 < 29.2602773688  and attr store1 > 28.4602773688 ))) 
6 0.1 0.1 peak 247 volume 61.90595 ppm1 3.460 ppm2 4.566
 
! ############### C13_CNnoesy_manual.248 folded +
assi (attr store1 < 3.51 and attr store1 > 3.41 )
     ((attr store1 < 3.491 and attr store1 > 3.431 ) and 
      (bondedto (attr store1 < 124.748722631  and attr store1 > 123.948722631 ) or 
       bondedto (attr store1 < 77.006  and attr store1 > 76.206 ) or 
       bondedto (attr store1 < 29.2632773688  and attr store1 > 28.4632773688 ))) 
6 0.1 0.1 peak 248 volume 699.06403 ppm1 3.461 ppm2 3.460
 
! ############### C13_CNnoesy_manual.249 folded -
assi (attr store1 < 0.797 and attr store1 > 0.697 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 148.559083947  and attr store1 > 147.759083947 ) or 
       bondedto (attr store1 < 53.0736386844  and attr store1 > 52.2736386844 ))) 
6 0.1 0.1 peak 249 volume 90.96299 ppm1 0.746 ppm2 0.747
 
! ############### C13_CNnoesy_manual.250 folded +
assi (attr store1 < 8.037 and attr store1 > 7.937 )
     ((attr store1 < 1.699 and attr store1 > 1.639 ) and 
      (bondedto (attr store1 < 124.561722631  and attr store1 > 123.761722631 ) or 
       bondedto (attr store1 < 76.819  and attr store1 > 76.019 ) or 
       bondedto (attr store1 < 29.0762773688  and attr store1 > 28.2762773688 ))) 
6 0.1 0.1 peak 250 volume 8.01900 ppm1 1.669 ppm2 7.987
 
! ############### C13_CNnoesy_manual.251 folded +
assi (attr store1 < 4.068 and attr store1 > 3.968 )
     ((attr store1 < 1.7 and attr store1 > 1.64 ) and 
      (bondedto (attr store1 < 124.569722631  and attr store1 > 123.769722631 ) or 
       bondedto (attr store1 < 76.827  and attr store1 > 76.027 ) or 
       bondedto (attr store1 < 29.0842773688  and attr store1 > 28.2842773688 ))) 
6 0.1 0.1 peak 251 volume 12.07763 ppm1 1.670 ppm2 4.018
 
! ############### C13_CNnoesy_manual.252 folded +
assi (attr store1 < 2.838 and attr store1 > 2.738 )
     ((attr store1 < 1.703 and attr store1 > 1.643 ) and 
      (bondedto (attr store1 < 124.553722631  and attr store1 > 123.753722631 ) or 
       bondedto (attr store1 < 76.811  and attr store1 > 76.011 ) or 
       bondedto (attr store1 < 29.0682773688  and attr store1 > 28.2682773688 ))) 
6 0.1 0.1 peak 252 volume 23.93409 ppm1 1.673 ppm2 2.788
 
! ############### C13_CNnoesy_manual.253 folded +
assi (attr store1 < 1.467 and attr store1 > 1.367 )
     ((attr store1 < 1.701 and attr store1 > 1.641 ) and 
      (bondedto (attr store1 < 124.569722631  and attr store1 > 123.769722631 ) or 
       bondedto (attr store1 < 76.827  and attr store1 > 76.027 ) or 
       bondedto (attr store1 < 29.0842773688  and attr store1 > 28.2842773688 ))) 
6 0.1 0.1 peak 253 volume 30.97583 ppm1 1.671 ppm2 1.417
 
! ############### C13_CNnoesy_manual.254 folded +
assi (attr store1 < 1.235 and attr store1 > 1.135 )
     ((attr store1 < 1.701 and attr store1 > 1.641 ) and 
      (bondedto (attr store1 < 124.571722631  and attr store1 > 123.771722631 ) or 
       bondedto (attr store1 < 76.829  and attr store1 > 76.029 ) or 
       bondedto (attr store1 < 29.0862773688  and attr store1 > 28.2862773688 ))) 
6 0.1 0.1 peak 254 volume 81.22050 ppm1 1.671 ppm2 1.185
 
! ############### C13_CNnoesy_manual.255 folded +
assi (attr store1 < 4.062 and attr store1 > 3.962 )
     ((attr store1 < 1.215 and attr store1 > 1.155 ) and 
      (bondedto (attr store1 < 124.557722631  and attr store1 > 123.757722631 ) or 
       bondedto (attr store1 < 76.815  and attr store1 > 76.015 ) or 
       bondedto (attr store1 < 29.0722773688  and attr store1 > 28.2722773688 ))) 
6 0.1 0.1 peak 255 volume 16.05405 ppm1 1.185 ppm2 4.012
 
! ############### C13_CNnoesy_manual.256 folded +
assi (attr store1 < 2.838 and attr store1 > 2.738 )
     ((attr store1 < 1.215 and attr store1 > 1.155 ) and 
      (bondedto (attr store1 < 124.575722631  and attr store1 > 123.775722631 ) or 
       bondedto (attr store1 < 76.833  and attr store1 > 76.033 ) or 
       bondedto (attr store1 < 29.0902773688  and attr store1 > 28.2902773688 ))) 
6 0.1 0.1 peak 256 volume 22.97042 ppm1 1.185 ppm2 2.788
 
! ############### C13_CNnoesy_manual.257 folded +
assi (attr store1 < 1.721 and attr store1 > 1.621 )
     ((attr store1 < 1.217 and attr store1 > 1.157 ) and 
      (bondedto (attr store1 < 124.560722631  and attr store1 > 123.760722631 ) or 
       bondedto (attr store1 < 76.818  and attr store1 > 76.018 ) or 
       bondedto (attr store1 < 29.0752773688  and attr store1 > 28.2752773688 ))) 
6 0.1 0.1 peak 257 volume 67.62125 ppm1 1.187 ppm2 1.671
 
! ############### C13_CNnoesy_manual.258 folded +
assi (attr store1 < 1.456 and attr store1 > 1.356 )
     ((attr store1 < 1.216 and attr store1 > 1.156 ) and 
      (bondedto (attr store1 < 124.574722631  and attr store1 > 123.774722631 ) or 
       bondedto (attr store1 < 76.832  and attr store1 > 76.032 ) or 
       bondedto (attr store1 < 29.0892773688  and attr store1 > 28.2892773688 ))) 
6 0.1 0.1 peak 258 volume 36.57426 ppm1 1.186 ppm2 1.406
 
! ############### C13_CNnoesy_manual.259 folded +
assi (attr store1 < 1.236 and attr store1 > 1.136 )
     ((attr store1 < 1.217 and attr store1 > 1.157 ) and 
      (bondedto (attr store1 < 124.574722631  and attr store1 > 123.774722631 ) or 
       bondedto (attr store1 < 76.832  and attr store1 > 76.032 ) or 
       bondedto (attr store1 < 29.0892773688  and attr store1 > 28.2892773688 ))) 
6 0.1 0.1 peak 259 volume 215.01765 ppm1 1.187 ppm2 1.186
 
! ############### C13_CNnoesy_manual.260 folded +
assi (attr store1 < 7.374 and attr store1 > 7.274 )
     ((attr store1 < 1.782 and attr store1 > 1.722 ) and 
      (bondedto (attr store1 < 124.359722631  and attr store1 > 123.559722631 ) or 
       bondedto (attr store1 < 76.617  and attr store1 > 75.817 ) or 
       bondedto (attr store1 < 28.8742773688  and attr store1 > 28.0742773688 ))) 
6 0.1 0.1 peak 260 volume 6.72714 ppm1 1.752 ppm2 7.324
 
! ############### C13_CNnoesy_manual.261 folded +
assi (attr store1 < 3.07 and attr store1 > 2.97 )
     ((attr store1 < 1.775 and attr store1 > 1.715 ) and 
      (bondedto (attr store1 < 124.397722631  and attr store1 > 123.597722631 ) or 
       bondedto (attr store1 < 76.655  and attr store1 > 75.855 ) or 
       bondedto (attr store1 < 28.9122773688  and attr store1 > 28.1122773688 ))) 
6 0.1 0.1 peak 261 volume 40.91290 ppm1 1.745 ppm2 3.020
 
! ############### C13_CNnoesy_manual.262 folded +
assi (attr store1 < 1.508 and attr store1 > 1.408 )
     ((attr store1 < 1.779 and attr store1 > 1.719 ) and 
      (bondedto (attr store1 < 124.398722631  and attr store1 > 123.598722631 ) or 
       bondedto (attr store1 < 76.656  and attr store1 > 75.856 ) or 
       bondedto (attr store1 < 28.9132773688  and attr store1 > 28.1132773688 ))) 
6 0.1 0.1 peak 262 volume 155.54796 ppm1 1.749 ppm2 1.458
 
! ############### C13_CNnoesy_manual.263 folded +
assi (attr store1 < 0.352 and attr store1 > 0.252 )
     ((attr store1 < 1.777 and attr store1 > 1.717 ) and 
      (bondedto (attr store1 < 124.390722631  and attr store1 > 123.590722631 ) or 
       bondedto (attr store1 < 76.648  and attr store1 > 75.848 ) or 
       bondedto (attr store1 < 28.9052773688  and attr store1 > 28.1052773688 ))) 
6 0.1 0.1 peak 263 volume 26.26421 ppm1 1.747 ppm2 0.302
 
! ############### C13_CNnoesy_manual.264 folded +
assi (attr store1 < 0.873 and attr store1 > 0.773 )
     ((attr store1 < 1.773 and attr store1 > 1.713 ) and 
      (bondedto (attr store1 < 124.378722631  and attr store1 > 123.578722631 ) or 
       bondedto (attr store1 < 76.636  and attr store1 > 75.836 ) or 
       bondedto (attr store1 < 28.8932773688  and attr store1 > 28.0932773688 ))) 
6 0.1 0.1 peak 264 volume 20.19992 ppm1 1.743 ppm2 0.823
 
! ############### C13_CNnoesy_manual.265 folded +
assi (attr store1 < 3.072 and attr store1 > 2.972 )
     ((attr store1 < 1.493 and attr store1 > 1.433 ) and 
      (bondedto (attr store1 < 124.369722631  and attr store1 > 123.569722631 ) or 
       bondedto (attr store1 < 76.627  and attr store1 > 75.827 ) or 
       bondedto (attr store1 < 28.8842773688  and attr store1 > 28.0842773688 ))) 
6 0.1 0.1 peak 265 volume 45.83962 ppm1 1.463 ppm2 3.022
 
! ############### C13_CNnoesy_manual.266 folded +
assi (attr store1 < 1.794 and attr store1 > 1.694 )
     ((attr store1 < 1.492 and attr store1 > 1.432 ) and 
      (bondedto (attr store1 < 124.380722631  and attr store1 > 123.580722631 ) or 
       bondedto (attr store1 < 76.638  and attr store1 > 75.838 ) or 
       bondedto (attr store1 < 28.8952773688  and attr store1 > 28.0952773688 ))) 
6 0.1 0.1 peak 266 volume 163.56908 ppm1 1.462 ppm2 1.744
 
! ############### C13_CNnoesy_manual.267 folded +
assi (attr store1 < 0.35 and attr store1 > 0.25 )
     ((attr store1 < 1.493 and attr store1 > 1.433 ) and 
      (bondedto (attr store1 < 124.381722631  and attr store1 > 123.581722631 ) or 
       bondedto (attr store1 < 76.639  and attr store1 > 75.839 ) or 
       bondedto (attr store1 < 28.8962773688  and attr store1 > 28.0962773688 ))) 
6 0.1 0.1 peak 267 volume 20.95965 ppm1 1.463 ppm2 0.300
 
! ############### C13_CNnoesy_manual.268 folded -
assi (attr store1 < 1.631 and attr store1 > 1.531 )
     ((attr store1 < 1.769 and attr store1 > 1.709 ) and 
      (bondedto (attr store1 < 148.249083947  and attr store1 > 147.449083947 ) or 
       bondedto (attr store1 < 52.7636386844  and attr store1 > 51.9636386844 ))) 
6 0.1 0.1 peak 268 volume 11.23913 ppm1 1.739 ppm2 1.581
 
! ############### C13_CNnoesy_manual.269 folded +
assi (attr store1 < 7.022 and attr store1 > 6.922 )
     ((attr store1 < 2.002 and attr store1 > 1.942 ) and 
      (bondedto (attr store1 < 124.195722631  and attr store1 > 123.395722631 ) or 
       bondedto (attr store1 < 76.453  and attr store1 > 75.653 ) or 
       bondedto (attr store1 < 28.7102773688  and attr store1 > 27.9102773688 ))) 
6 0.1 0.1 peak 269 volume 6.72535 ppm1 1.972 ppm2 6.972
 
! ############### C13_CNnoesy_manual.270 folded +
assi (attr store1 < 1.594 and attr store1 > 1.494 )
     ((attr store1 < 1.585 and attr store1 > 1.525 ) and 
      (bondedto (attr store1 < 124.204722631  and attr store1 > 123.404722631 ) or 
       bondedto (attr store1 < 76.462  and attr store1 > 75.662 ) or 
       bondedto (attr store1 < 28.7192773688  and attr store1 > 27.9192773688 ))) 
6 0.1 0.1 peak 270 volume 84.14289 ppm1 1.555 ppm2 1.544
 
! ############### C13_CNnoesy_manual.271 folded +
assi (attr store1 < 3.344 and attr store1 > 3.244 )
     ((attr store1 < 1.516 and attr store1 > 1.456 ) and 
      (bondedto (attr store1 < 124.190722631  and attr store1 > 123.390722631 ) or 
       bondedto (attr store1 < 76.448  and attr store1 > 75.648 ) or 
       bondedto (attr store1 < 28.7052773688  and attr store1 > 27.9052773688 ))) 
6 0.1 0.1 peak 271 volume 9.83731 ppm1 1.486 ppm2 3.294
 
! ############### C13_CNnoesy_manual.272 folded +
assi (attr store1 < 2.281 and attr store1 > 2.181 )
     ((attr store1 < 1.514 and attr store1 > 1.454 ) and 
      (bondedto (attr store1 < 124.178722631  and attr store1 > 123.378722631 ) or 
       bondedto (attr store1 < 76.436  and attr store1 > 75.636 ) or 
       bondedto (attr store1 < 28.6932773688  and attr store1 > 27.8932773688 ))) 
6 0.1 0.1 peak 272 volume 37.41790 ppm1 1.484 ppm2 2.231
 
! ############### C13_CNnoesy_manual.273 folded +
assi (attr store1 < 2.014 and attr store1 > 1.914 )
     ((attr store1 < 1.514 and attr store1 > 1.454 ) and 
      (bondedto (attr store1 < 124.176722631  and attr store1 > 123.376722631 ) or 
       bondedto (attr store1 < 76.434  and attr store1 > 75.634 ) or 
       bondedto (attr store1 < 28.6912773688  and attr store1 > 27.8912773688 ))) 
6 0.1 0.1 peak 273 volume 128.35887 ppm1 1.484 ppm2 1.964
 
! ############### C13_CNnoesy_manual.274 folded +
assi (attr store1 < 1.522 and attr store1 > 1.422 )
     ((attr store1 < 1.503 and attr store1 > 1.443 ) and 
      (bondedto (attr store1 < 124.236722631  and attr store1 > 123.436722631 ) or 
       bondedto (attr store1 < 76.494  and attr store1 > 75.694 ) or 
       bondedto (attr store1 < 28.7512773688  and attr store1 > 27.9512773688 ))) 
6 0.1 0.1 peak 274 volume 484.89340 ppm1 1.473 ppm2 1.472
 
! ############### C13_CNnoesy_manual.275 folded +
assi (attr store1 < 0.808 and attr store1 > 0.708 )
     ((attr store1 < 1.512 and attr store1 > 1.452 ) and 
      (bondedto (attr store1 < 124.178722631  and attr store1 > 123.378722631 ) or 
       bondedto (attr store1 < 76.436  and attr store1 > 75.636 ) or 
       bondedto (attr store1 < 28.6932773688  and attr store1 > 27.8932773688 ))) 
6 0.1 0.1 peak 275 volume 50.37764 ppm1 1.482 ppm2 0.758
 
! ############### C13_CNnoesy_manual.276 folded +
assi (attr store1 < 1.375 and attr store1 > 1.275 )
     ((attr store1 < 1.365 and attr store1 > 1.305 ) and 
      (bondedto (attr store1 < 124.217722631  and attr store1 > 123.417722631 ) or 
       bondedto (attr store1 < 76.475  and attr store1 > 75.675 ) or 
       bondedto (attr store1 < 28.7322773688  and attr store1 > 27.9322773688 ))) 
6 0.1 0.1 peak 276 volume 57.49089 ppm1 1.335 ppm2 1.325
 
! ############### C13_CNnoesy_manual.277 folded -
assi (attr store1 < 1.846 and attr store1 > 1.746 )
     ((attr store1 < 1.832 and attr store1 > 1.772 ) and 
      (bondedto (attr store1 < 148.068083947  and attr store1 > 147.268083947 ) or 
       bondedto (attr store1 < 52.5826386844  and attr store1 > 51.7826386844 ))) 
6 0.1 0.1 peak 277 volume 122.98265 ppm1 1.802 ppm2 1.796
 
! ############### C13_CNnoesy_manual.278 folded -
assi (attr store1 < 1.816 and attr store1 > 1.716 )
     ((attr store1 < 1.798 and attr store1 > 1.738 ) and 
      (bondedto (attr store1 < 148.118083947  and attr store1 > 147.318083947 ) or 
       bondedto (attr store1 < 52.6326386844  and attr store1 > 51.8326386844 ))) 
6 0.1 0.1 peak 278 volume 24.44001 ppm1 1.768 ppm2 1.766
 
! ############### C13_CNnoesy_manual.279 folded +
assi (attr store1 < 2.57 and attr store1 > 2.47 )
     ((attr store1 < 2.549 and attr store1 > 2.489 ) and 
      (bondedto (attr store1 < 124.139722631  and attr store1 > 123.339722631 ) or 
       bondedto (attr store1 < 76.397  and attr store1 > 75.597 ) or 
       bondedto (attr store1 < 28.6542773688  and attr store1 > 27.8542773688 ))) 
6 0.1 0.1 peak 279 volume 58.30968 ppm1 2.519 ppm2 2.520
 
! ############### C13_CNnoesy_manual.280 folded +
assi (attr store1 < 3.682 and attr store1 > 3.582 )
     ((attr store1 < 2.297 and attr store1 > 2.237 ) and 
      (bondedto (attr store1 < 124.092722631  and attr store1 > 123.292722631 ) or 
       bondedto (attr store1 < 76.35  and attr store1 > 75.55 ) or 
       bondedto (attr store1 < 28.6072773688  and attr store1 > 27.8072773688 ))) 
6 0.1 0.1 peak 280 volume 58.33269 ppm1 2.267 ppm2 3.632
 
! ############### C13_CNnoesy_manual.281 folded +
assi (attr store1 < 4.696 and attr store1 > 4.596 )
     ((attr store1 < 2.291 and attr store1 > 2.231 ) and 
      (bondedto (attr store1 < 124.089722631  and attr store1 > 123.289722631 ) or 
       bondedto (attr store1 < 76.347  and attr store1 > 75.547 ) or 
       bondedto (attr store1 < 28.6042773688  and attr store1 > 27.8042773688 ))) 
6 0.1 0.1 peak 281 volume 18.58115 ppm1 2.261 ppm2 4.646
 
! ############### C13_CNnoesy_manual.282 folded +
assi (attr store1 < 2.552 and attr store1 > 2.452 )
     ((attr store1 < 2.292 and attr store1 > 2.232 ) and 
      (bondedto (attr store1 < 124.078722631  and attr store1 > 123.278722631 ) or 
       bondedto (attr store1 < 76.336  and attr store1 > 75.536 ) or 
       bondedto (attr store1 < 28.5932773688  and attr store1 > 27.7932773688 ))) 
6 0.1 0.1 peak 282 volume 76.13774 ppm1 2.262 ppm2 2.502
 
! ############### C13_CNnoesy_manual.283 folded +
assi (attr store1 < 8.045 and attr store1 > 7.945 )
     ((attr store1 < 1.996 and attr store1 > 1.936 ) and 
      (bondedto (attr store1 < 124.144722631  and attr store1 > 123.344722631 ) or 
       bondedto (attr store1 < 76.402  and attr store1 > 75.602 ) or 
       bondedto (attr store1 < 28.6592773688  and attr store1 > 27.8592773688 ))) 
6 0.1 0.1 peak 283 volume 26.04153 ppm1 1.966 ppm2 7.995
 
! ############### C13_CNnoesy_manual.284 folded +
assi (attr store1 < 4.099 and attr store1 > 3.999 )
     ((attr store1 < 1.997 and attr store1 > 1.937 ) and 
      (bondedto (attr store1 < 124.137722631  and attr store1 > 123.337722631 ) or 
       bondedto (attr store1 < 76.395  and attr store1 > 75.595 ) or 
       bondedto (attr store1 < 28.6522773688  and attr store1 > 27.8522773688 ))) 
6 0.1 0.1 peak 284 volume 21.15479 ppm1 1.967 ppm2 4.049
 
! ############### C13_CNnoesy_manual.285 folded +
assi (attr store1 < 0.801 and attr store1 > 0.701 )
     ((attr store1 < 1.997 and attr store1 > 1.937 ) and 
      (bondedto (attr store1 < 124.164722631  and attr store1 > 123.364722631 ) or 
       bondedto (attr store1 < 76.422  and attr store1 > 75.622 ) or 
       bondedto (attr store1 < 28.6792773688  and attr store1 > 27.8792773688 ))) 
6 0.1 0.1 peak 285 volume 39.37719 ppm1 1.967 ppm2 0.751
 
! ############### C13_CNnoesy_manual.286 folded +
assi (attr store1 < 2.282 and attr store1 > 2.182 )
     ((attr store1 < 1.987 and attr store1 > 1.927 ) and 
      (bondedto (attr store1 < 124.127722631  and attr store1 > 123.327722631 ) or 
       bondedto (attr store1 < 76.385  and attr store1 > 75.585 ) or 
       bondedto (attr store1 < 28.6422773688  and attr store1 > 27.8422773688 ))) 
6 0.1 0.1 peak 286 volume 41.58641 ppm1 1.957 ppm2 2.232
 
! ############### C13_CNnoesy_manual.287 folded +
assi (attr store1 < 2.014 and attr store1 > 1.914 )
     ((attr store1 < 1.989 and attr store1 > 1.929 ) and 
      (bondedto (attr store1 < 124.120722631  and attr store1 > 123.320722631 ) or 
       bondedto (attr store1 < 76.378  and attr store1 > 75.578 ) or 
       bondedto (attr store1 < 28.6352773688  and attr store1 > 27.8352773688 ))) 
6 0.1 0.1 peak 287 volume 196.19594 ppm1 1.959 ppm2 1.964
 
! ############### C13_CNnoesy_manual.288 folded +
assi (attr store1 < 1.532 and attr store1 > 1.432 )
     ((attr store1 < 1.995 and attr store1 > 1.935 ) and 
      (bondedto (attr store1 < 124.166722631  and attr store1 > 123.366722631 ) or 
       bondedto (attr store1 < 76.424  and attr store1 > 75.624 ) or 
       bondedto (attr store1 < 28.6812773688  and attr store1 > 27.8812773688 ))) 
6 0.1 0.1 peak 288 volume 119.48450 ppm1 1.965 ppm2 1.482
 
! ############### C13_CNnoesy_manual.289 folded +
assi (attr store1 < 1.158 and attr store1 > 1.058 )
     ((attr store1 < 1.993 and attr store1 > 1.933 ) and 
      (bondedto (attr store1 < 124.140722631  and attr store1 > 123.340722631 ) or 
       bondedto (attr store1 < 76.398  and attr store1 > 75.598 ) or 
       bondedto (attr store1 < 28.6552773688  and attr store1 > 27.8552773688 ))) 
6 0.1 0.1 peak 289 volume 24.03932 ppm1 1.963 ppm2 1.108
 
! ############### C13_CNnoesy_manual.290 folded +
assi (attr store1 < 7.033 and attr store1 > 6.933 )
     ((attr store1 < 1.515 and attr store1 > 1.455 ) and 
      (bondedto (attr store1 < 124.135722631  and attr store1 > 123.335722631 ) or 
       bondedto (attr store1 < 76.393  and attr store1 > 75.593 ) or 
       bondedto (attr store1 < 28.6502773688  and attr store1 > 27.8502773688 ))) 
6 0.1 0.1 peak 290 volume 7.66404 ppm1 1.485 ppm2 6.983
 
! ############### C13_CNnoesy_manual.291 folded +
assi (attr store1 < 8.047 and attr store1 > 7.947 )
     ((attr store1 < 1.513 and attr store1 > 1.453 ) and 
      (bondedto (attr store1 < 124.132722631  and attr store1 > 123.332722631 ) or 
       bondedto (attr store1 < 76.39  and attr store1 > 75.59 ) or 
       bondedto (attr store1 < 28.6472773688  and attr store1 > 27.8472773688 ))) 
6 0.1 0.1 peak 291 volume 15.89870 ppm1 1.483 ppm2 7.997
 
! ############### C13_CNnoesy_manual.292 folded +
assi (attr store1 < 1.16 and attr store1 > 1.06 )
     ((attr store1 < 1.511 and attr store1 > 1.451 ) and 
      (bondedto (attr store1 < 124.126722631  and attr store1 > 123.326722631 ) or 
       bondedto (attr store1 < 76.384  and attr store1 > 75.584 ) or 
       bondedto (attr store1 < 28.6412773688  and attr store1 > 27.8412773688 ))) 
6 0.1 0.1 peak 292 volume 33.26835 ppm1 1.481 ppm2 1.110
 
! ############### C13_CNnoesy_manual.293 folded +
assi (attr store1 < 2.497 and attr store1 > 2.397 )
     ((attr store1 < 2.484 and attr store1 > 2.424 ) and 
      (bondedto (attr store1 < 124.061722631  and attr store1 > 123.261722631 ) or 
       bondedto (attr store1 < 76.319  and attr store1 > 75.519 ) or 
       bondedto (attr store1 < 28.5762773688  and attr store1 > 27.7762773688 ))) 
6 0.1 0.1 peak 293 volume 42.54610 ppm1 2.454 ppm2 2.447
 
! ############### C13_CNnoesy_manual.294 folded +
assi (attr store1 < 2.321 and attr store1 > 2.221 )
     ((attr store1 < 2.299 and attr store1 > 2.239 ) and 
      (bondedto (attr store1 < 124.049722631  and attr store1 > 123.249722631 ) or 
       bondedto (attr store1 < 76.307  and attr store1 > 75.507 ) or 
       bondedto (attr store1 < 28.5642773688  and attr store1 > 27.7642773688 ))) 
6 0.1 0.1 peak 294 volume 663.17682 ppm1 2.269 ppm2 2.271
 
! ############### C13_CNnoesy_manual.295 folded +
assi (attr store1 < 1.295 and attr store1 > 1.195 )
     ((attr store1 < 2.303 and attr store1 > 2.243 ) and 
      (bondedto (attr store1 < 124.070722631  and attr store1 > 123.270722631 ) or 
       bondedto (attr store1 < 76.328  and attr store1 > 75.528 ) or 
       bondedto (attr store1 < 28.5852773688  and attr store1 > 27.7852773688 ))) 
6 0.1 0.1 peak 295 volume 10.14733 ppm1 2.273 ppm2 1.245
 
! ############### C13_CNnoesy_manual.296 folded +
assi (attr store1 < 3.083 and attr store1 > 2.983 )
     ((attr store1 < 2.292 and attr store1 > 2.232 ) and 
      (bondedto (attr store1 < 124.057722631  and attr store1 > 123.257722631 ) or 
       bondedto (attr store1 < 76.315  and attr store1 > 75.515 ) or 
       bondedto (attr store1 < 28.5722773688  and attr store1 > 27.7722773688 ))) 
6 0.1 0.1 peak 296 volume 22.70392 ppm1 2.262 ppm2 3.033
 
! ############### C13_CNnoesy_manual.297 folded +
assi (attr store1 < 1.736 and attr store1 > 1.636 )
     ((attr store1 < 2.295 and attr store1 > 2.235 ) and 
      (bondedto (attr store1 < 124.052722631  and attr store1 > 123.252722631 ) or 
       bondedto (attr store1 < 76.31  and attr store1 > 75.51 ) or 
       bondedto (attr store1 < 28.5672773688  and attr store1 > 27.7672773688 ))) 
6 0.1 0.1 peak 297 volume 10.13231 ppm1 2.265 ppm2 1.686
 
! ############### C13_CNnoesy_manual.298 folded +
assi (attr store1 < 4.397 and attr store1 > 4.297 )
     ((attr store1 < 2.331 and attr store1 > 2.271 ) and 
      (bondedto (attr store1 < 123.931722631  and attr store1 > 123.131722631 ) or 
       bondedto (attr store1 < 76.189  and attr store1 > 75.389 ) or 
       bondedto (attr store1 < 28.4462773688  and attr store1 > 27.6462773688 ))) 
6 0.1 0.1 peak 298 volume 44.15659 ppm1 2.301 ppm2 4.347
 
! ############### C13_CNnoesy_manual.299 folded +
assi (attr store1 < 3.854 and attr store1 > 3.754 )
     ((attr store1 < 2.331 and attr store1 > 2.271 ) and 
      (bondedto (attr store1 < 123.920722631  and attr store1 > 123.120722631 ) or 
       bondedto (attr store1 < 76.178  and attr store1 > 75.378 ) or 
       bondedto (attr store1 < 28.4352773688  and attr store1 > 27.6352773688 ))) 
6 0.1 0.1 peak 299 volume 41.95930 ppm1 2.301 ppm2 3.804
 
! ############### C13_CNnoesy_manual.300 folded +
assi (attr store1 < 2.163 and attr store1 > 2.063 )
     ((attr store1 < 2.33 and attr store1 > 2.27 ) and 
      (bondedto (attr store1 < 123.922722631  and attr store1 > 123.122722631 ) or 
       bondedto (attr store1 < 76.18  and attr store1 > 75.38 ) or 
       bondedto (attr store1 < 28.4372773688  and attr store1 > 27.6372773688 ))) 
6 0.1 0.1 peak 300 volume 197.59541 ppm1 2.300 ppm2 2.113
 
! ############### C13_CNnoesy_manual.301 folded +
assi (attr store1 < 2.14 and attr store1 > 2.04 )
     ((attr store1 < 2.246 and attr store1 > 2.186 ) and 
      (bondedto (attr store1 < 123.911722631  and attr store1 > 123.111722631 ) or 
       bondedto (attr store1 < 76.169  and attr store1 > 75.369 ) or 
       bondedto (attr store1 < 28.4262773688  and attr store1 > 27.6262773688 ))) 
6 0.1 0.1 peak 301 volume 296.74725 ppm1 2.216 ppm2 2.090
 
! ############### C13_CNnoesy_manual.302 folded +
assi (attr store1 < 4.394 and attr store1 > 4.294 )
     ((attr store1 < 2.143 and attr store1 > 2.083 ) and 
      (bondedto (attr store1 < 123.925722631  and attr store1 > 123.125722631 ) or 
       bondedto (attr store1 < 76.183  and attr store1 > 75.383 ) or 
       bondedto (attr store1 < 28.4402773688  and attr store1 > 27.6402773688 ))) 
6 0.1 0.1 peak 302 volume 45.57182 ppm1 2.113 ppm2 4.344
 
! ############### C13_CNnoesy_manual.303 folded +
assi (attr store1 < 4.142 and attr store1 > 4.042 )
     ((attr store1 < 2.135 and attr store1 > 2.075 ) and 
      (bondedto (attr store1 < 123.916722631  and attr store1 > 123.116722631 ) or 
       bondedto (attr store1 < 76.174  and attr store1 > 75.374 ) or 
       bondedto (attr store1 < 28.4312773688  and attr store1 > 27.6312773688 ))) 
6 0.1 0.1 peak 303 volume 11.99040 ppm1 2.105 ppm2 4.092
 
! ############### C13_CNnoesy_manual.304 folded +
assi (attr store1 < 9.05 and attr store1 > 8.95 )
     ((attr store1 < 2.248 and attr store1 > 2.188 ) and 
      (bondedto (attr store1 < 123.852722631  and attr store1 > 123.052722631 ) or 
       bondedto (attr store1 < 76.11  and attr store1 > 75.31 ) or 
       bondedto (attr store1 < 28.3672773688  and attr store1 > 27.5672773688 ))) 
6 0.1 0.1 peak 304 volume 14.70786 ppm1 2.218 ppm2 9.000
 
! ############### C13_CNnoesy_manual.305 folded +
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 2.25 and attr store1 > 2.19 ) and 
      (bondedto (attr store1 < 123.874722631  and attr store1 > 123.074722631 ) or 
       bondedto (attr store1 < 76.132  and attr store1 > 75.332 ) or 
       bondedto (attr store1 < 28.3892773688  and attr store1 > 27.5892773688 ))) 
6 0.1 0.1 peak 305 volume 10.72912 ppm1 2.220 ppm2 4.838
 
! ############### C13_CNnoesy_manual.306 folded +
assi (attr store1 < 3.903 and attr store1 > 3.803 )
     ((attr store1 < 2.247 and attr store1 > 2.187 ) and 
      (bondedto (attr store1 < 123.833722631  and attr store1 > 123.033722631 ) or 
       bondedto (attr store1 < 76.091  and attr store1 > 75.291 ) or 
       bondedto (attr store1 < 28.3482773688  and attr store1 > 27.5482773688 ))) 
6 0.1 0.1 peak 306 volume 32.00018 ppm1 2.217 ppm2 3.853
 
! ############### C13_CNnoesy_manual.307 folded +
assi (attr store1 < 9.046 and attr store1 > 8.946 )
     ((attr store1 < 2.129 and attr store1 > 2.069 ) and 
      (bondedto (attr store1 < 123.866722631  and attr store1 > 123.066722631 ) or 
       bondedto (attr store1 < 76.124  and attr store1 > 75.324 ) or 
       bondedto (attr store1 < 28.3812773688  and attr store1 > 27.5812773688 ))) 
6 0.1 0.1 peak 307 volume 14.51059 ppm1 2.099 ppm2 8.996
 
! ############### C13_CNnoesy_manual.308 folded +
assi (attr store1 < 7.843 and attr store1 > 7.743 )
     ((attr store1 < 2.132 and attr store1 > 2.072 ) and 
      (bondedto (attr store1 < 123.840722631  and attr store1 > 123.040722631 ) or 
       bondedto (attr store1 < 76.098  and attr store1 > 75.298 ) or 
       bondedto (attr store1 < 28.3552773688  and attr store1 > 27.5552773688 ))) 
6 0.1 0.1 peak 308 volume 10.71350 ppm1 2.102 ppm2 7.793
 
! ############### C13_CNnoesy_manual.309 folded +
assi (attr store1 < 4.887 and attr store1 > 4.787 )
     ((attr store1 < 2.129 and attr store1 > 2.069 ) and 
      (bondedto (attr store1 < 123.858722631  and attr store1 > 123.058722631 ) or 
       bondedto (attr store1 < 76.116  and attr store1 > 75.316 ) or 
       bondedto (attr store1 < 28.3732773688  and attr store1 > 27.5732773688 ))) 
6 0.1 0.1 peak 309 volume 12.34088 ppm1 2.099 ppm2 4.837
 
! ############### C13_CNnoesy_manual.310 folded +
assi (attr store1 < 3.889 and attr store1 > 3.789 )
     ((attr store1 < 2.131 and attr store1 > 2.071 ) and 
      (bondedto (attr store1 < 123.876722631  and attr store1 > 123.076722631 ) or 
       bondedto (attr store1 < 76.134  and attr store1 > 75.334 ) or 
       bondedto (attr store1 < 28.3912773688  and attr store1 > 27.5912773688 ))) 
6 0.1 0.1 peak 310 volume 45.97820 ppm1 2.101 ppm2 3.839
 
! ############### C13_CNnoesy_manual.311 folded +
assi (attr store1 < 2.621 and attr store1 > 2.521 )
     ((attr store1 < 2.126 and attr store1 > 2.066 ) and 
      (bondedto (attr store1 < 123.847722631  and attr store1 > 123.047722631 ) or 
       bondedto (attr store1 < 76.105  and attr store1 > 75.305 ) or 
       bondedto (attr store1 < 28.3622773688  and attr store1 > 27.5622773688 ))) 
6 0.1 0.1 peak 311 volume 46.48046 ppm1 2.096 ppm2 2.571
 
! ############### C13_CNnoesy_manual.312 folded -
assi (attr store1 < 9.441 and attr store1 > 9.341 )
     ((attr store1 < 5.126 and attr store1 > 5.066 ) and 
      (bondedto (attr store1 < 147.715083947  and attr store1 > 146.915083947 ) or 
       bondedto (attr store1 < 52.2296386844  and attr store1 > 51.4296386844 ))) 
6 0.1 0.1 peak 312 volume 25.69185 ppm1 5.096 ppm2 9.391
 
! ############### C13_CNnoesy_manual.313 folded -
assi (attr store1 < 5.148 and attr store1 > 5.048 )
     ((attr store1 < 5.128 and attr store1 > 5.068 ) and 
      (bondedto (attr store1 < 147.722083947  and attr store1 > 146.922083947 ) or 
       bondedto (attr store1 < 52.2366386844  and attr store1 > 51.4366386844 ))) 
6 0.1 0.1 peak 313 volume 278.21512 ppm1 5.098 ppm2 5.098
 
! ############### C13_CNnoesy_manual.314 folded -
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 5.129 and attr store1 > 5.069 ) and 
      (bondedto (attr store1 < 147.716083947  and attr store1 > 146.916083947 ) or 
       bondedto (attr store1 < 52.2306386844  and attr store1 > 51.4306386844 ))) 
6 0.1 0.1 peak 314 volume 52.09484 ppm1 5.099 ppm2 4.839
 
! ############### C13_CNnoesy_manual.315 folded -
assi (attr store1 < 3.149 and attr store1 > 3.049 )
     ((attr store1 < 5.127 and attr store1 > 5.067 ) and 
      (bondedto (attr store1 < 147.738083947  and attr store1 > 146.938083947 ) or 
       bondedto (attr store1 < 52.2526386844  and attr store1 > 51.4526386844 ))) 
6 0.1 0.1 peak 315 volume 21.85818 ppm1 5.097 ppm2 3.099
 
! ############### C13_CNnoesy_manual.316 folded -
assi (attr store1 < 2.955 and attr store1 > 2.855 )
     ((attr store1 < 5.128 and attr store1 > 5.068 ) and 
      (bondedto (attr store1 < 147.717083947  and attr store1 > 146.917083947 ) or 
       bondedto (attr store1 < 52.2316386844  and attr store1 > 51.4316386844 ))) 
6 0.1 0.1 peak 316 volume 35.62967 ppm1 5.098 ppm2 2.905
 
! ############### C13_CNnoesy_manual.317 folded +
assi (attr store1 < 2.958 and attr store1 > 2.858 )
     ((attr store1 < 2.938 and attr store1 > 2.878 ) and 
      (bondedto (attr store1 < 123.756722631  and attr store1 > 122.956722631 ) or 
       bondedto (attr store1 < 76.014  and attr store1 > 75.214 ) or 
       bondedto (attr store1 < 28.2712773688  and attr store1 > 27.4712773688 ))) 
6 0.1 0.1 peak 317 volume 32.10747 ppm1 2.908 ppm2 2.908
 
! ############### C13_CNnoesy_manual.318 folded +
assi (attr store1 < 7.846 and attr store1 > 7.746 )
     ((attr store1 < 2.247 and attr store1 > 2.187 ) and 
      (bondedto (attr store1 < 123.763722631  and attr store1 > 122.963722631 ) or 
       bondedto (attr store1 < 76.021  and attr store1 > 75.221 ) or 
       bondedto (attr store1 < 28.2782773688  and attr store1 > 27.4782773688 ))) 
6 0.1 0.1 peak 318 volume 9.40510 ppm1 2.217 ppm2 7.796
 
! ############### C13_CNnoesy_manual.319 folded +
assi (attr store1 < 1.107 and attr store1 > 1.007 )
     ((attr store1 < 1.082 and attr store1 > 1.022 ) and 
      (bondedto (attr store1 < 123.736722631  and attr store1 > 122.936722631 ) or 
       bondedto (attr store1 < 75.994  and attr store1 > 75.194 ) or 
       bondedto (attr store1 < 28.2512773688  and attr store1 > 27.4512773688 ))) 
6 0.1 0.1 peak 319 volume 147.52693 ppm1 1.052 ppm2 1.057
 
! ############### C13_CNnoesy_manual.320 folded +
assi (attr store1 < 1.052 and attr store1 > 0.952 )
     ((attr store1 < 1.043 and attr store1 > 0.983 ) and 
      (bondedto (attr store1 < 123.707722631  and attr store1 > 122.907722631 ) or 
       bondedto (attr store1 < 75.965  and attr store1 > 75.165 ) or 
       bondedto (attr store1 < 28.2222773688  and attr store1 > 27.4222773688 ))) 
6 0.1 0.1 peak 320 volume 206.38359 ppm1 1.013 ppm2 1.002
 
! ############### C13_CNnoesy_manual.321 folded +
assi (attr store1 < 7.365 and attr store1 > 7.265 )
     ((attr store1 < 1.039 and attr store1 > 0.979 ) and 
      (bondedto (attr store1 < 123.645722631  and attr store1 > 122.845722631 ) or 
       bondedto (attr store1 < 75.903  and attr store1 > 75.103 ) or 
       bondedto (attr store1 < 28.1602773688  and attr store1 > 27.3602773688 ))) 
6 0.1 0.1 peak 321 volume 10.36348 ppm1 1.009 ppm2 7.315
 
! ############### C13_CNnoesy_manual.322 folded +
assi (attr store1 < 1.015 and attr store1 > 0.915 )
     ((attr store1 < 1.037 and attr store1 > 0.977 ) and 
      (bondedto (attr store1 < 123.660722631  and attr store1 > 122.860722631 ) or 
       bondedto (attr store1 < 75.918  and attr store1 > 75.118 ) or 
       bondedto (attr store1 < 28.1752773688  and attr store1 > 27.3752773688 ))) 
6 0.1 0.1 peak 322 volume 210.73634 ppm1 1.007 ppm2 0.965
 
! ############### C13_CNnoesy_manual.323 folded +
assi (attr store1 < 3.97 and attr store1 > 3.87 )
     ((attr store1 < 2.172 and attr store1 > 2.112 ) and 
      (bondedto (attr store1 < 123.590722631  and attr store1 > 122.790722631 ) or 
       bondedto (attr store1 < 75.848  and attr store1 > 75.048 ) or 
       bondedto (attr store1 < 28.1052773688  and attr store1 > 27.3052773688 ))) 
6 0.1 0.1 peak 323 volume 16.06649 ppm1 2.142 ppm2 3.920
 
! ############### C13_CNnoesy_manual.324 folded +
assi (attr store1 < 2.472 and attr store1 > 2.372 )
     ((attr store1 < 2.164 and attr store1 > 2.104 ) and 
      (bondedto (attr store1 < 123.583722631  and attr store1 > 122.783722631 ) or 
       bondedto (attr store1 < 75.841  and attr store1 > 75.041 ) or 
       bondedto (attr store1 < 28.0982773688  and attr store1 > 27.2982773688 ))) 
6 0.1 0.1 peak 324 volume 101.98804 ppm1 2.134 ppm2 2.422
 
! ############### C13_CNnoesy_manual.325 folded +
assi (attr store1 < 3.104 and attr store1 > 3.004 )
     ((attr store1 < 1.915 and attr store1 > 1.855 ) and 
      (bondedto (attr store1 < 123.521722631  and attr store1 > 122.721722631 ) or 
       bondedto (attr store1 < 75.779  and attr store1 > 74.979 ) or 
       bondedto (attr store1 < 28.0362773688  and attr store1 > 27.2362773688 ))) 
6 0.1 0.1 peak 325 volume 32.02423 ppm1 1.885 ppm2 3.054
 
! ############### C13_CNnoesy_manual.326 folded +
assi (attr store1 < 2.418 and attr store1 > 2.318 )
     ((attr store1 < 1.915 and attr store1 > 1.855 ) and 
      (bondedto (attr store1 < 123.535722631  and attr store1 > 122.735722631 ) or 
       bondedto (attr store1 < 75.793  and attr store1 > 74.993 ) or 
       bondedto (attr store1 < 28.0502773688  and attr store1 > 27.2502773688 ))) 
6 0.1 0.1 peak 326 volume 15.74098 ppm1 1.885 ppm2 2.368
 
! ############### C13_CNnoesy_manual.327 folded +
assi (attr store1 < 2.22 and attr store1 > 2.12 )
     ((attr store1 < 1.914 and attr store1 > 1.854 ) and 
      (bondedto (attr store1 < 123.535722631  and attr store1 > 122.735722631 ) or 
       bondedto (attr store1 < 75.793  and attr store1 > 74.993 ) or 
       bondedto (attr store1 < 28.0502773688  and attr store1 > 27.2502773688 ))) 
6 0.1 0.1 peak 327 volume 50.31228 ppm1 1.884 ppm2 2.170
 
! ############### C13_CNnoesy_manual.328 folded +
assi (attr store1 < 1.63 and attr store1 > 1.53 )
     ((attr store1 < 1.915 and attr store1 > 1.855 ) and 
      (bondedto (attr store1 < 123.523722631  and attr store1 > 122.723722631 ) or 
       bondedto (attr store1 < 75.781  and attr store1 > 74.981 ) or 
       bondedto (attr store1 < 28.0382773688  and attr store1 > 27.2382773688 ))) 
6 0.1 0.1 peak 328 volume 62.25520 ppm1 1.885 ppm2 1.580
 
! ############### C13_CNnoesy_manual.329 folded +
assi (attr store1 < 1.056 and attr store1 > 0.956 )
     ((attr store1 < 1.588 and attr store1 > 1.528 ) and 
      (bondedto (attr store1 < 123.520722631  and attr store1 > 122.720722631 ) or 
       bondedto (attr store1 < 75.778  and attr store1 > 74.978 ) or 
       bondedto (attr store1 < 28.0352773688  and attr store1 > 27.2352773688 ))) 
6 0.1 0.1 peak 329 volume 24.20180 ppm1 1.558 ppm2 1.006
 
! ############### C13_CNnoesy_manual.330 folded +
assi (attr store1 < 0.687 and attr store1 > 0.587 )
     ((attr store1 < 1.035 and attr store1 > 0.975 ) and 
      (bondedto (attr store1 < 123.589722631  and attr store1 > 122.789722631 ) or 
       bondedto (attr store1 < 75.847  and attr store1 > 75.047 ) or 
       bondedto (attr store1 < 28.1042773688  and attr store1 > 27.3042773688 ))) 
6 0.1 0.1 peak 330 volume 84.24183 ppm1 1.005 ppm2 0.637
 
! ############### C13_CNnoesy_manual.331 folded +
assi (attr store1 < 0.688 and attr store1 > 0.588 )
     ((attr store1 < 0.985 and attr store1 > 0.925 ) and 
      (bondedto (attr store1 < 123.585722631  and attr store1 > 122.785722631 ) or 
       bondedto (attr store1 < 75.843  and attr store1 > 75.043 ) or 
       bondedto (attr store1 < 28.1002773688  and attr store1 > 27.3002773688 ))) 
6 0.1 0.1 peak 331 volume 50.15494 ppm1 0.955 ppm2 0.638
 
! ############### C13_CNnoesy_manual.332 folded +
assi (attr store1 < 7.364 and attr store1 > 7.264 )
     ((attr store1 < 0.668 and attr store1 > 0.608 ) and 
      (bondedto (attr store1 < 123.571722631  and attr store1 > 122.771722631 ) or 
       bondedto (attr store1 < 75.829  and attr store1 > 75.029 ) or 
       bondedto (attr store1 < 28.0862773688  and attr store1 > 27.2862773688 ))) 
6 0.1 0.1 peak 332 volume 7.20165 ppm1 0.638 ppm2 7.314
 
! ############### C13_CNnoesy_manual.333 folded +
assi (attr store1 < 0.688 and attr store1 > 0.588 )
     ((attr store1 < 0.667 and attr store1 > 0.607 ) and 
      (bondedto (attr store1 < 123.583722631  and attr store1 > 122.783722631 ) or 
       bondedto (attr store1 < 75.841  and attr store1 > 75.041 ) or 
       bondedto (attr store1 < 28.0982773688  and attr store1 > 27.2982773688 ))) 
6 0.1 0.1 peak 333 volume 132.91339 ppm1 0.637 ppm2 0.638
 
! ############### C13_CNnoesy_manual.334 folded +
assi (attr store1 < 1.022 and attr store1 > 0.922 )
     ((attr store1 < 0.667 and attr store1 > 0.607 ) and 
      (bondedto (attr store1 < 123.585722631  and attr store1 > 122.785722631 ) or 
       bondedto (attr store1 < 75.843  and attr store1 > 75.043 ) or 
       bondedto (attr store1 < 28.1002773688  and attr store1 > 27.3002773688 ))) 
6 0.1 0.1 peak 334 volume 135.24777 ppm1 0.637 ppm2 0.972
 
! ############### C13_CNnoesy_manual.335 folded +
assi (attr store1 < 2.191 and attr store1 > 2.091 )
     ((attr store1 < 2.173 and attr store1 > 2.113 ) and 
      (bondedto (attr store1 < 123.498722631  and attr store1 > 122.698722631 ) or 
       bondedto (attr store1 < 75.756  and attr store1 > 74.956 ) or 
       bondedto (attr store1 < 28.0132773688  and attr store1 > 27.2132773688 ))) 
6 0.1 0.1 peak 335 volume 3696.78882 ppm1 2.143 ppm2 2.141
 
! ############### C13_CNnoesy_manual.336 folded +
assi (attr store1 < 4.374 and attr store1 > 4.274 )
     ((attr store1 < 1.909 and attr store1 > 1.849 ) and 
      (bondedto (attr store1 < 123.506722631  and attr store1 > 122.706722631 ) or 
       bondedto (attr store1 < 75.764  and attr store1 > 74.964 ) or 
       bondedto (attr store1 < 28.0212773688  and attr store1 > 27.2212773688 ))) 
6 0.1 0.1 peak 336 volume 45.76274 ppm1 1.879 ppm2 4.324
 
! ############### C13_CNnoesy_manual.337 folded +
assi (attr store1 < 1.925 and attr store1 > 1.825 )
     ((attr store1 < 1.908 and attr store1 > 1.848 ) and 
      (bondedto (attr store1 < 123.483722631  and attr store1 > 122.683722631 ) or 
       bondedto (attr store1 < 75.741  and attr store1 > 74.941 ) or 
       bondedto (attr store1 < 27.9982773688  and attr store1 > 27.1982773688 ))) 
6 0.1 0.1 peak 337 volume 963.22321 ppm1 1.878 ppm2 1.875
 
! ############### C13_CNnoesy_manual.338 folded +
assi (attr store1 < 0.899 and attr store1 > 0.799 )
     ((attr store1 < 1.909 and attr store1 > 1.849 ) and 
      (bondedto (attr store1 < 123.447722631  and attr store1 > 122.647722631 ) or 
       bondedto (attr store1 < 75.705  and attr store1 > 74.905 ) or 
       bondedto (attr store1 < 27.9622773688  and attr store1 > 27.1622773688 ))) 
6 0.1 0.1 peak 338 volume 20.91533 ppm1 1.879 ppm2 0.849
 
! ############### C13_CNnoesy_manual.339 folded +
assi (attr store1 < 2.192 and attr store1 > 2.092 )
     ((attr store1 < 1.32 and attr store1 > 1.26 ) and 
      (bondedto (attr store1 < 123.488722631  and attr store1 > 122.688722631 ) or 
       bondedto (attr store1 < 75.746  and attr store1 > 74.946 ) or 
       bondedto (attr store1 < 28.0032773688  and attr store1 > 27.2032773688 ))) 
6 0.1 0.1 peak 339 volume 12.20909 ppm1 1.290 ppm2 2.142
 
! ############### C13_CNnoesy_manual.340 folded +
assi (attr store1 < 1.021 and attr store1 > 0.921 )
     ((attr store1 < 0.988 and attr store1 > 0.928 ) and 
      (bondedto (attr store1 < 123.489722631  and attr store1 > 122.689722631 ) or 
       bondedto (attr store1 < 75.747  and attr store1 > 74.947 ) or 
       bondedto (attr store1 < 28.0042773688  and attr store1 > 27.2042773688 ))) 
6 0.1 0.1 peak 340 volume 193.04457 ppm1 0.958 ppm2 0.971
 
! ############### C13_CNnoesy_manual.341 folded +
assi (attr store1 < 1.816 and attr store1 > 1.716 )
     ((attr store1 < 0.665 and attr store1 > 0.605 ) and 
      (bondedto (attr store1 < 123.513722631  and attr store1 > 122.713722631 ) or 
       bondedto (attr store1 < 75.771  and attr store1 > 74.971 ) or 
       bondedto (attr store1 < 28.0282773688  and attr store1 > 27.2282773688 ))) 
6 0.1 0.1 peak 341 volume 12.81165 ppm1 0.635 ppm2 1.766
 
! ############### C13_CNnoesy_manual.342 folded -
assi (attr store1 < 4.404 and attr store1 > 4.304 )
     ((attr store1 < 4.385 and attr store1 > 4.325 ) and 
      (bondedto (attr store1 < 147.328083947  and attr store1 > 146.528083947 ) or 
       bondedto (attr store1 < 51.8426386844  and attr store1 > 51.0426386844 ))) 
6 0.1 0.1 peak 342 volume 259.03668 ppm1 4.355 ppm2 4.354
 
! ############### C13_CNnoesy_manual.343 folded -
assi (attr store1 < 4.157 and attr store1 > 4.057 )
     ((attr store1 < 4.386 and attr store1 > 4.326 ) and 
      (bondedto (attr store1 < 147.335083947  and attr store1 > 146.535083947 ) or 
       bondedto (attr store1 < 51.8496386844  and attr store1 > 51.0496386844 ))) 
6 0.1 0.1 peak 343 volume 97.6312 ppm1 4.356 ppm2 4.107
 
! ############### C13_CNnoesy_manual.344 folded -
assi (attr store1 < 3.855 and attr store1 > 3.755 )
     ((attr store1 < 4.386 and attr store1 > 4.326 ) and 
      (bondedto (attr store1 < 147.332083947  and attr store1 > 146.532083947 ) or 
       bondedto (attr store1 < 51.8466386844  and attr store1 > 51.0466386844 ))) 
6 0.1 0.1 peak 344 volume 200.83363 ppm1 4.356 ppm2 3.805
 
! ############### C13_CNnoesy_manual.345 folded -
assi (attr store1 < 2.356 and attr store1 > 2.256 )
     ((attr store1 < 4.386 and attr store1 > 4.326 ) and 
      (bondedto (attr store1 < 147.319083947  and attr store1 > 146.519083947 ) or 
       bondedto (attr store1 < 51.8336386844  and attr store1 > 51.0336386844 ))) 
6 0.1 0.1 peak 345 volume 38.41299 ppm1 4.356 ppm2 2.306
 
! ############### C13_CNnoesy_manual.346 folded -
assi (attr store1 < 2.169 and attr store1 > 2.069 )
     ((attr store1 < 4.386 and attr store1 > 4.326 ) and 
      (bondedto (attr store1 < 147.345083947  and attr store1 > 146.545083947 ) or 
       bondedto (attr store1 < 51.8596386844  and attr store1 > 51.0596386844 ))) 
6 0.1 0.1 peak 346 volume 42.95171 ppm1 4.356 ppm2 2.119
 
! ############### C13_CNnoesy_manual.347 folded -
assi (attr store1 < 0.795 and attr store1 > 0.695 )
     ((attr store1 < 4.385 and attr store1 > 4.325 ) and 
      (bondedto (attr store1 < 147.310083947  and attr store1 > 146.510083947 ) or 
       bondedto (attr store1 < 51.8246386844  and attr store1 > 51.0246386844 ))) 
6 0.1 0.1 peak 347 volume 30.44989 ppm1 4.355 ppm2 0.745
 
! ############### C13_CNnoesy_manual.348 folded -
assi (attr store1 < 4.405 and attr store1 > 4.305 )
     ((attr store1 < 3.836 and attr store1 > 3.776 ) and 
      (bondedto (attr store1 < 147.330083947  and attr store1 > 146.530083947 ) or 
       bondedto (attr store1 < 51.8446386844  and attr store1 > 51.0446386844 ))) 
6 0.1 0.1 peak 348 volume 198.28123 ppm1 3.806 ppm2 4.355
 
! ############### C13_CNnoesy_manual.349 folded -
assi (attr store1 < 4.156 and attr store1 > 4.056 )
     ((attr store1 < 3.836 and attr store1 > 3.776 ) and 
      (bondedto (attr store1 < 147.328083947  and attr store1 > 146.528083947 ) or 
       bondedto (attr store1 < 51.8426386844  and attr store1 > 51.0426386844 ))) 
6 0.1 0.1 peak 349 volume 79.97654 ppm1 3.806 ppm2 4.106
 
! ############### C13_CNnoesy_manual.350 folded -
assi (attr store1 < 2.356 and attr store1 > 2.256 )
     ((attr store1 < 3.836 and attr store1 > 3.776 ) and 
      (bondedto (attr store1 < 147.322083947  and attr store1 > 146.522083947 ) or 
       bondedto (attr store1 < 51.8366386844  and attr store1 > 51.0366386844 ))) 
6 0.1 0.1 peak 350 volume 47.56935 ppm1 3.806 ppm2 2.306
 
! ############### C13_CNnoesy_manual.351 folded -
assi (attr store1 < 0.797 and attr store1 > 0.697 )
     ((attr store1 < 3.836 and attr store1 > 3.776 ) and 
      (bondedto (attr store1 < 147.326083947  and attr store1 > 146.526083947 ) or 
       bondedto (attr store1 < 51.8406386844  and attr store1 > 51.0406386844 ))) 
6 0.1 0.1 peak 351 volume 44.49494 ppm1 3.806 ppm2 0.747
 
! ############### C13_CNnoesy_manual.352 folded -
assi (attr store1 < 0.114 and attr store1 > 0.014 )
     ((attr store1 < 3.839 and attr store1 > 3.779 ) and 
      (bondedto (attr store1 < 147.369083947  and attr store1 > 146.569083947 ) or 
       bondedto (attr store1 < 51.8836386844  and attr store1 > 51.0836386844 ))) 
6 0.1 0.1 peak 352 volume 7.96304 ppm1 3.809 ppm2 0.064
 
! ############### C13_CNnoesy_manual.353 folded -
assi (attr store1 < 2.024 and attr store1 > 1.924 )
     ((attr store1 < 2.001 and attr store1 > 1.941 ) and 
      (bondedto (attr store1 < 147.358083947  and attr store1 > 146.558083947 ) or 
       bondedto (attr store1 < 51.8726386844  and attr store1 > 51.0726386844 ))) 
6 0.1 0.1 peak 353 volume 14.27842 ppm1 1.971 ppm2 1.974
 
! ############### C13_CNnoesy_manual.354 folded -
assi (attr store1 < 1.008 and attr store1 > 0.908 )
     ((attr store1 < 0.858 and attr store1 > 0.798 ) and 
      (bondedto (attr store1 < 147.357083947  and attr store1 > 146.557083947 ) or 
       bondedto (attr store1 < 51.8716386844  and attr store1 > 51.0716386844 ))) 
6 0.1 0.1 peak 354 volume 22.53687 ppm1 0.828 ppm2 0.958
 
! ############### C13_CNnoesy_manual.355 folded +
assi (attr store1 < 3.4 and attr store1 > 3.3 )
     ((attr store1 < 1.882 and attr store1 > 1.822 ) and 
      (bondedto (attr store1 < 123.402722631  and attr store1 > 122.602722631 ) or 
       bondedto (attr store1 < 75.66  and attr store1 > 74.86 ) or 
       bondedto (attr store1 < 27.9172773688  and attr store1 > 27.1172773688 ))) 
6 0.1 0.1 peak 355 volume 30.70986 ppm1 1.852 ppm2 3.350
 
! ############### C13_CNnoesy_manual.356 folded +
assi (attr store1 < 8.468 and attr store1 > 8.368 )
     ((attr store1 < 1.833 and attr store1 > 1.773 ) and 
      (bondedto (attr store1 < 123.382722631  and attr store1 > 122.582722631 ) or 
       bondedto (attr store1 < 75.64  and attr store1 > 74.84 ) or 
       bondedto (attr store1 < 27.8972773688  and attr store1 > 27.0972773688 ))) 
6 0.1 0.1 peak 356 volume 19.68289 ppm1 1.803 ppm2 8.418
 
! ############### C13_CNnoesy_manual.357 folded +
assi (attr store1 < 3.4 and attr store1 > 3.3 )
     ((attr store1 < 1.827 and attr store1 > 1.767 ) and 
      (bondedto (attr store1 < 123.408722631  and attr store1 > 122.608722631 ) or 
       bondedto (attr store1 < 75.666  and attr store1 > 74.866 ) or 
       bondedto (attr store1 < 27.9232773688  and attr store1 > 27.1232773688 ))) 
6 0.1 0.1 peak 357 volume 31.47026 ppm1 1.797 ppm2 3.350
 
! ############### C13_CNnoesy_manual.358 folded +
assi (attr store1 < 8.048 and attr store1 > 7.948 )
     ((attr store1 < 1.7 and attr store1 > 1.64 ) and 
      (bondedto (attr store1 < 123.384722631  and attr store1 > 122.584722631 ) or 
       bondedto (attr store1 < 75.642  and attr store1 > 74.842 ) or 
       bondedto (attr store1 < 27.8992773688  and attr store1 > 27.0992773688 ))) 
6 0.1 0.1 peak 358 volume 10.49862 ppm1 1.670 ppm2 7.998
 
! ############### C13_CNnoesy_manual.359 folded +
assi (attr store1 < 1.916 and attr store1 > 1.816 )
     ((attr store1 < 1.614 and attr store1 > 1.554 ) and 
      (bondedto (attr store1 < 123.368722631  and attr store1 > 122.568722631 ) or 
       bondedto (attr store1 < 75.626  and attr store1 > 74.826 ) or 
       bondedto (attr store1 < 27.8832773688  and attr store1 > 27.0832773688 ))) 
6 0.1 0.1 peak 359 volume 23.97183 ppm1 1.584 ppm2 1.866
 
! ############### C13_CNnoesy_manual.360 folded +
assi (attr store1 < 1.025 and attr store1 > 0.925 )
     ((attr store1 < 1.594 and attr store1 > 1.534 ) and 
      (bondedto (attr store1 < 123.411722631  and attr store1 > 122.611722631 ) or 
       bondedto (attr store1 < 75.669  and attr store1 > 74.869 ) or 
       bondedto (attr store1 < 27.9262773688  and attr store1 > 27.1262773688 ))) 
6 0.1 0.1 peak 360 volume 24.83894 ppm1 1.564 ppm2 0.975
 
! ############### C13_CNnoesy_manual.361 folded +
assi (attr store1 < 1.33 and attr store1 > 1.23 )
     ((attr store1 < 1.581 and attr store1 > 1.521 ) and 
      (bondedto (attr store1 < 123.360722631  and attr store1 > 122.560722631 ) or 
       bondedto (attr store1 < 75.618  and attr store1 > 74.818 ) or 
       bondedto (attr store1 < 27.8752773688  and attr store1 > 27.0752773688 ))) 
6 0.1 0.1 peak 361 volume 23.41009 ppm1 1.551 ppm2 1.280
 
! ############### C13_CNnoesy_manual.362 folded +
assi (attr store1 < 1.602 and attr store1 > 1.502 )
     ((attr store1 < 1.302 and attr store1 > 1.242 ) and 
      (bondedto (attr store1 < 123.368722631  and attr store1 > 122.568722631 ) or 
       bondedto (attr store1 < 75.626  and attr store1 > 74.826 ) or 
       bondedto (attr store1 < 27.8832773688  and attr store1 > 27.0832773688 ))) 
6 0.1 0.1 peak 362 volume 25.48360 ppm1 1.272 ppm2 1.552
 
! ############### C13_CNnoesy_manual.363 folded +
assi (attr store1 < 1.316 and attr store1 > 1.216 )
     ((attr store1 < 1.302 and attr store1 > 1.242 ) and 
      (bondedto (attr store1 < 123.338722631  and attr store1 > 122.538722631 ) or 
       bondedto (attr store1 < 75.596  and attr store1 > 74.796 ) or 
       bondedto (attr store1 < 27.8532773688  and attr store1 > 27.0532773688 ))) 
6 0.1 0.1 peak 363 volume 82.49183 ppm1 1.272 ppm2 1.266
 
! ############### C13_CNnoesy_manual.364 folded +
assi (attr store1 < 0.833 and attr store1 > 0.733 )
     ((attr store1 < 1.831 and attr store1 > 1.771 ) and 
      (bondedto (attr store1 < 123.330722631  and attr store1 > 122.530722631 ) or 
       bondedto (attr store1 < 75.588  and attr store1 > 74.788 ) or 
       bondedto (attr store1 < 27.8452773688  and attr store1 > 27.0452773688 ))) 
6 0.1 0.1 peak 364 volume 71.56555 ppm1 1.801 ppm2 0.783
 
! ############### C13_CNnoesy_manual.365 folded +
assi (attr store1 < 4.444 and attr store1 > 4.344 )
     ((attr store1 < 1.739 and attr store1 > 1.679 ) and 
      (bondedto (attr store1 < 123.251722631  and attr store1 > 122.451722631 ) or 
       bondedto (attr store1 < 75.509  and attr store1 > 74.709 ) or 
       bondedto (attr store1 < 27.7662773688  and attr store1 > 26.9662773688 ))) 
6 0.1 0.1 peak 365 volume 21.84681 ppm1 1.709 ppm2 4.394
 
! ############### C13_CNnoesy_manual.366 folded +
assi (attr store1 < 3.328 and attr store1 > 3.228 )
     ((attr store1 < 1.74 and attr store1 > 1.68 ) and 
      (bondedto (attr store1 < 123.283722631  and attr store1 > 122.483722631 ) or 
       bondedto (attr store1 < 75.541  and attr store1 > 74.741 ) or 
       bondedto (attr store1 < 27.7982773688  and attr store1 > 26.9982773688 ))) 
6 0.1 0.1 peak 366 volume 45.37889 ppm1 1.710 ppm2 3.278
 
! ############### C13_CNnoesy_manual.367 folded +
assi (attr store1 < 1.937 and attr store1 > 1.837 )
     ((attr store1 < 1.741 and attr store1 > 1.681 ) and 
      (bondedto (attr store1 < 123.241722631  and attr store1 > 122.441722631 ) or 
       bondedto (attr store1 < 75.499  and attr store1 > 74.699 ) or 
       bondedto (attr store1 < 27.7562773688  and attr store1 > 26.9562773688 ))) 
6 0.1 0.1 peak 367 volume 255.28351 ppm1 1.711 ppm2 1.887
 
! ############### C13_CNnoesy_manual.368 folded +
assi (attr store1 < 1.729 and attr store1 > 1.629 )
     ((attr store1 < 1.705 and attr store1 > 1.645 ) and 
      (bondedto (attr store1 < 123.285722631  and attr store1 > 122.485722631 ) or 
       bondedto (attr store1 < 75.543  and attr store1 > 74.743 ) or 
       bondedto (attr store1 < 27.8002773688  and attr store1 > 27.0002773688 ))) 
6 0.1 0.1 peak 368 volume 2353.33911 ppm1 1.675 ppm2 1.679
 
! ############### C13_CNnoesy_manual.369 folded +
assi (attr store1 < 7.75 and attr store1 > 7.65 )
     ((attr store1 < 1.38 and attr store1 > 1.32 ) and 
      (bondedto (attr store1 < 123.317722631  and attr store1 > 122.517722631 ) or 
       bondedto (attr store1 < 75.575  and attr store1 > 74.775 ) or 
       bondedto (attr store1 < 27.8322773688  and attr store1 > 27.0322773688 ))) 
6 0.1 0.1 peak 369 volume 14.44610 ppm1 1.350 ppm2 7.700
 
! ############### C13_CNnoesy_manual.370 folded +
assi (attr store1 < 4.15 and attr store1 > 4.05 )
     ((attr store1 < 1.382 and attr store1 > 1.322 ) and 
      (bondedto (attr store1 < 123.299722631  and attr store1 > 122.499722631 ) or 
       bondedto (attr store1 < 75.557  and attr store1 > 74.757 ) or 
       bondedto (attr store1 < 27.8142773688  and attr store1 > 27.0142773688 ))) 
6 0.1 0.1 peak 370 volume 20.70841 ppm1 1.352 ppm2 4.100
 
! ############### C13_CNnoesy_manual.371 folded +
assi (attr store1 < 2.348 and attr store1 > 2.248 )
     ((attr store1 < 1.381 and attr store1 > 1.321 ) and 
      (bondedto (attr store1 < 123.278722631  and attr store1 > 122.478722631 ) or 
       bondedto (attr store1 < 75.536  and attr store1 > 74.736 ) or 
       bondedto (attr store1 < 27.7932773688  and attr store1 > 26.9932773688 ))) 
6 0.1 0.1 peak 371 volume 25.66326 ppm1 1.351 ppm2 2.298
 
! ############### C13_CNnoesy_manual.372 folded +
assi (attr store1 < 1.753 and attr store1 > 1.653 )
     ((attr store1 < 1.377 and attr store1 > 1.317 ) and 
      (bondedto (attr store1 < 123.281722631  and attr store1 > 122.481722631 ) or 
       bondedto (attr store1 < 75.539  and attr store1 > 74.739 ) or 
       bondedto (attr store1 < 27.7962773688  and attr store1 > 26.9962773688 ))) 
6 0.1 0.1 peak 372 volume 25.02784 ppm1 1.347 ppm2 1.703
 
! ############### C13_CNnoesy_manual.373 folded +
assi (attr store1 < 1.605 and attr store1 > 1.505 )
     ((attr store1 < 1.382 and attr store1 > 1.322 ) and 
      (bondedto (attr store1 < 123.262722631  and attr store1 > 122.462722631 ) or 
       bondedto (attr store1 < 75.52  and attr store1 > 74.72 ) or 
       bondedto (attr store1 < 27.7772773688  and attr store1 > 26.9772773688 ))) 
6 0.1 0.1 peak 373 volume 27.79889 ppm1 1.352 ppm2 1.555
 
! ############### C13_CNnoesy_manual.374 folded +
assi (attr store1 < 1.399 and attr store1 > 1.299 )
     ((attr store1 < 1.378 and attr store1 > 1.318 ) and 
      (bondedto (attr store1 < 123.266722631  and attr store1 > 122.466722631 ) or 
       bondedto (attr store1 < 75.524  and attr store1 > 74.724 ) or 
       bondedto (attr store1 < 27.7812773688  and attr store1 > 26.9812773688 ))) 
6 0.1 0.1 peak 374 volume 296.90588 ppm1 1.348 ppm2 1.349
 
! ############### C13_CNnoesy_manual.375 folded +
assi (attr store1 < 0.964 and attr store1 > 0.864 )
     ((attr store1 < 1.38 and attr store1 > 1.32 ) and 
      (bondedto (attr store1 < 123.289722631  and attr store1 > 122.489722631 ) or 
       bondedto (attr store1 < 75.547  and attr store1 > 74.747 ) or 
       bondedto (attr store1 < 27.8042773688  and attr store1 > 27.0042773688 ))) 
6 0.1 0.1 peak 375 volume 126.92509 ppm1 1.350 ppm2 0.914
 
! ############### C13_CNnoesy_manual.376 folded +
assi (attr store1 < 0.8 and attr store1 > 0.7 )
     ((attr store1 < 1.381 and attr store1 > 1.321 ) and 
      (bondedto (attr store1 < 123.295722631  and attr store1 > 122.495722631 ) or 
       bondedto (attr store1 < 75.553  and attr store1 > 74.753 ) or 
       bondedto (attr store1 < 27.8102773688  and attr store1 > 27.0102773688 ))) 
6 0.1 0.1 peak 376 volume 104.68443 ppm1 1.351 ppm2 0.750
 
! ############### C13_CNnoesy_manual.377 folded +
assi (attr store1 < 0.148 and attr store1 > 0.048 )
     ((attr store1 < 1.378 and attr store1 > 1.318 ) and 
      (bondedto (attr store1 < 123.292722631  and attr store1 > 122.492722631 ) or 
       bondedto (attr store1 < 75.55  and attr store1 > 74.75 ) or 
       bondedto (attr store1 < 27.8072773688  and attr store1 > 27.0072773688 ))) 
6 0.1 0.1 peak 377 volume 8.45525 ppm1 1.348 ppm2 0.098
 
! ############### C13_CNnoesy_manual.378 folded +
assi (attr store1 < 1.265 and attr store1 > 1.165 )
     ((attr store1 < 1.245 and attr store1 > 1.185 ) and 
      (bondedto (attr store1 < 123.264722631  and attr store1 > 122.464722631 ) or 
       bondedto (attr store1 < 75.522  and attr store1 > 74.722 ) or 
       bondedto (attr store1 < 27.7792773688  and attr store1 > 26.9792773688 ))) 
6 0.1 0.1 peak 378 volume 111.74148 ppm1 1.215 ppm2 1.215
 
! ############### C13_CNnoesy_manual.379 folded +
assi (attr store1 < 7.75 and attr store1 > 7.65 )
     ((attr store1 < 0.941 and attr store1 > 0.881 ) and 
      (bondedto (attr store1 < 123.277722631  and attr store1 > 122.477722631 ) or 
       bondedto (attr store1 < 75.535  and attr store1 > 74.735 ) or 
       bondedto (attr store1 < 27.7922773688  and attr store1 > 26.9922773688 ))) 
6 0.1 0.1 peak 379 volume 9.83146 ppm1 0.911 ppm2 7.700
 
! ############### C13_CNnoesy_manual.380 folded +
assi (attr store1 < 4.148 and attr store1 > 4.048 )
     ((attr store1 < 0.949 and attr store1 > 0.889 ) and 
      (bondedto (attr store1 < 123.298722631  and attr store1 > 122.498722631 ) or 
       bondedto (attr store1 < 75.556  and attr store1 > 74.756 ) or 
       bondedto (attr store1 < 27.8132773688  and attr store1 > 27.0132773688 ))) 
6 0.1 0.1 peak 380 volume 24.51061 ppm1 0.919 ppm2 4.098
 
! ############### C13_CNnoesy_manual.381 folded +
assi (attr store1 < 2.347 and attr store1 > 2.247 )
     ((attr store1 < 0.946 and attr store1 > 0.886 ) and 
      (bondedto (attr store1 < 123.305722631  and attr store1 > 122.505722631 ) or 
       bondedto (attr store1 < 75.563  and attr store1 > 74.763 ) or 
       bondedto (attr store1 < 27.8202773688  and attr store1 > 27.0202773688 ))) 
6 0.1 0.1 peak 381 volume 17.58529 ppm1 0.916 ppm2 2.297
 
! ############### C13_CNnoesy_manual.382 folded +
assi (attr store1 < 1.4 and attr store1 > 1.3 )
     ((attr store1 < 0.947 and attr store1 > 0.887 ) and 
      (bondedto (attr store1 < 123.290722631  and attr store1 > 122.490722631 ) or 
       bondedto (attr store1 < 75.548  and attr store1 > 74.748 ) or 
       bondedto (attr store1 < 27.8052773688  and attr store1 > 27.0052773688 ))) 
6 0.1 0.1 peak 382 volume 115.39433 ppm1 0.917 ppm2 1.350
 
! ############### C13_CNnoesy_manual.383 folded +
assi (attr store1 < 0.796 and attr store1 > 0.696 )
     ((attr store1 < 0.947 and attr store1 > 0.887 ) and 
      (bondedto (attr store1 < 123.284722631  and attr store1 > 122.484722631 ) or 
       bondedto (attr store1 < 75.542  and attr store1 > 74.742 ) or 
       bondedto (attr store1 < 27.7992773688  and attr store1 > 26.9992773688 ))) 
6 0.1 0.1 peak 383 volume 104.23810 ppm1 0.917 ppm2 0.746
 
! ############### C13_CNnoesy_manual.384 folded +
assi (attr store1 < 0.96 and attr store1 > 0.86 )
     ((attr store1 < 0.939 and attr store1 > 0.879 ) and 
      (bondedto (attr store1 < 123.244722631  and attr store1 > 122.444722631 ) or 
       bondedto (attr store1 < 75.502  and attr store1 > 74.702 ) or 
       bondedto (attr store1 < 27.7592773688  and attr store1 > 26.9592773688 ))) 
6 0.1 0.1 peak 384 volume 155.44191 ppm1 0.909 ppm2 0.910
 
! ############### C13_CNnoesy_manual.385 folded +
assi (attr store1 < 3.931 and attr store1 > 3.831 )
     ((attr store1 < 3.68 and attr store1 > 3.62 ) and 
      (bondedto (attr store1 < 123.172722631  and attr store1 > 122.372722631 ) or 
       bondedto (attr store1 < 75.43  and attr store1 > 74.63 ) or 
       bondedto (attr store1 < 27.6872773688  and attr store1 > 26.8872773688 ))) 
6 0.1 0.1 peak 385 volume 7.55679 ppm1 3.650 ppm2 3.881
 
! ############### C13_CNnoesy_manual.386 folded +
assi (attr store1 < 4.349 and attr store1 > 4.249 )
     ((attr store1 < 1.823 and attr store1 > 1.763 ) and 
      (bondedto (attr store1 < 123.216722631  and attr store1 > 122.416722631 ) or 
       bondedto (attr store1 < 75.474  and attr store1 > 74.674 ) or 
       bondedto (attr store1 < 27.7312773688  and attr store1 > 26.9312773688 ))) 
6 0.1 0.1 peak 386 volume 27.44851 ppm1 1.793 ppm2 4.299
 
! ############### C13_CNnoesy_manual.387 folded +
assi (attr store1 < 1.855 and attr store1 > 1.755 )
     ((attr store1 < 1.822 and attr store1 > 1.762 ) and 
      (bondedto (attr store1 < 123.172722631  and attr store1 > 122.372722631 ) or 
       bondedto (attr store1 < 75.43  and attr store1 > 74.63 ) or 
       bondedto (attr store1 < 27.6872773688  and attr store1 > 26.8872773688 ))) 
6 0.1 0.1 peak 387 volume 1057.28650 ppm1 1.792 ppm2 1.805
 
! ############### C13_CNnoesy_manual.388 folded +
assi (attr store1 < 0.89 and attr store1 > 0.79 )
     ((attr store1 < 1.818 and attr store1 > 1.758 ) and 
      (bondedto (attr store1 < 123.156722631  and attr store1 > 122.356722631 ) or 
       bondedto (attr store1 < 75.414  and attr store1 > 74.614 ) or 
       bondedto (attr store1 < 27.6712773688  and attr store1 > 26.8712773688 ))) 
6 0.1 0.1 peak 388 volume 60.38199 ppm1 1.788 ppm2 0.840
 
! ############### C13_CNnoesy_manual.389 folded +
assi (attr store1 < 1.27 and attr store1 > 1.17 )
     ((attr store1 < 1.523 and attr store1 > 1.463 ) and 
      (bondedto (attr store1 < 123.220722631  and attr store1 > 122.420722631 ) or 
       bondedto (attr store1 < 75.478  and attr store1 > 74.678 ) or 
       bondedto (attr store1 < 27.7352773688  and attr store1 > 26.9352773688 ))) 
6 0.1 0.1 peak 389 volume 27.45570 ppm1 1.493 ppm2 1.220
 
! ############### C13_CNnoesy_manual.390 folded +
assi (attr store1 < 1.549 and attr store1 > 1.449 )
     ((attr store1 < 1.256 and attr store1 > 1.196 ) and 
      (bondedto (attr store1 < 123.221722631  and attr store1 > 122.421722631 ) or 
       bondedto (attr store1 < 75.479  and attr store1 > 74.679 ) or 
       bondedto (attr store1 < 27.7362773688  and attr store1 > 26.9362773688 ))) 
6 0.1 0.1 peak 390 volume 29.24480 ppm1 1.226 ppm2 1.499
 
! ############### C13_CNnoesy_manual.391 folded -
assi (attr store1 < 3.693 and attr store1 > 3.593 )
     ((attr store1 < 3.703 and attr store1 > 3.643 ) and 
      (bondedto (attr store1 < 147.066083947  and attr store1 > 146.266083947 ) or 
       bondedto (attr store1 < 51.5806386844  and attr store1 > 50.7806386844 ))) 
6 0.1 0.1 peak 391 volume 251.89441 ppm1 3.673 ppm2 3.643
 
! ############### C13_CNnoesy_manual.392 folded -
assi (attr store1 < 2.568 and attr store1 > 2.468 )
     ((attr store1 < 3.705 and attr store1 > 3.645 ) and 
      (bondedto (attr store1 < 147.107083947  and attr store1 > 146.307083947 ) or 
       bondedto (attr store1 < 51.6216386844  and attr store1 > 50.8216386844 ))) 
6 0.1 0.1 peak 392 volume 10.65119 ppm1 3.675 ppm2 2.518
 
! ############### C13_CNnoesy_manual.393 folded -
assi (attr store1 < 2.319 and attr store1 > 2.219 )
     ((attr store1 < 3.704 and attr store1 > 3.644 ) and 
      (bondedto (attr store1 < 147.060083947  and attr store1 > 146.260083947 ) or 
       bondedto (attr store1 < 51.5746386844  and attr store1 > 50.7746386844 ))) 
6 0.1 0.1 peak 393 volume 50.05547 ppm1 3.674 ppm2 2.269
 
! ############### C13_CNnoesy_manual.394 folded -
assi (attr store1 < 1.97 and attr store1 > 1.87 )
     ((attr store1 < 3.704 and attr store1 > 3.644 ) and 
      (bondedto (attr store1 < 147.084083947  and attr store1 > 146.284083947 ) or 
       bondedto (attr store1 < 51.5986386844  and attr store1 > 50.7986386844 ))) 
6 0.1 0.1 peak 394 volume 16.88209 ppm1 3.674 ppm2 1.920
 
! ############### C13_CNnoesy_manual.395 folded -
assi (attr store1 < 1.75 and attr store1 > 1.65 )
     ((attr store1 < 3.704 and attr store1 > 3.644 ) and 
      (bondedto (attr store1 < 147.068083947  and attr store1 > 146.268083947 ) or 
       bondedto (attr store1 < 51.5826386844  and attr store1 > 50.7826386844 ))) 
6 0.1 0.1 peak 395 volume 42.94444 ppm1 3.674 ppm2 1.700
 
! ############### C13_CNnoesy_manual.396 folded -
assi (attr store1 < 1.384 and attr store1 > 1.284 )
     ((attr store1 < 3.705 and attr store1 > 3.645 ) and 
      (bondedto (attr store1 < 147.078083947  and attr store1 > 146.278083947 ) or 
       bondedto (attr store1 < 51.5926386844  and attr store1 > 50.7926386844 ))) 
6 0.1 0.1 peak 396 volume 20.33649 ppm1 3.675 ppm2 1.334
 
! ############### C13_CNnoesy_manual.397 folded -
assi (attr store1 < 4.239 and attr store1 > 4.139 )
     ((attr store1 < 3.702 and attr store1 > 3.642 ) and 
      (bondedto (attr store1 < 147.047083947  and attr store1 > 146.247083947 ) or 
       bondedto (attr store1 < 51.5616386844  and attr store1 > 50.7616386844 ))) 
6 0.1 0.1 peak 397 volume 52.00604 ppm1 3.672 ppm2 4.189
 
! ############### C13_CNnoesy_manual.398 folded -
assi (attr store1 < 3.079 and attr store1 > 2.979 )
     ((attr store1 < 3.701 and attr store1 > 3.641 ) and 
      (bondedto (attr store1 < 147.048083947  and attr store1 > 146.248083947 ) or 
       bondedto (attr store1 < 51.5626386844  and attr store1 > 50.7626386844 ))) 
6 0.1 0.1 peak 398 volume 17.45773 ppm1 3.671 ppm2 3.029
 
! ############### C13_CNnoesy_manual.399 folded -
assi (attr store1 < 4.24 and attr store1 > 4.14 )
     ((attr store1 < 3.625 and attr store1 > 3.565 ) and 
      (bondedto (attr store1 < 147.062083947  and attr store1 > 146.262083947 ) or 
       bondedto (attr store1 < 51.5766386844  and attr store1 > 50.7766386844 ))) 
6 0.1 0.1 peak 399 volume 56.80753 ppm1 3.595 ppm2 4.190
 
! ############### C13_CNnoesy_manual.400 folded -
assi (attr store1 < 3.678 and attr store1 > 3.578 )
     ((attr store1 < 3.625 and attr store1 > 3.565 ) and 
      (bondedto (attr store1 < 147.065083947  and attr store1 > 146.265083947 ) or 
       bondedto (attr store1 < 51.5796386844  and attr store1 > 50.7796386844 ))) 
6 0.1 0.1 peak 400 volume 243.27927 ppm1 3.595 ppm2 3.628
 
! ############### C13_CNnoesy_manual.401 folded -
assi (attr store1 < 3.078 and attr store1 > 2.978 )
     ((attr store1 < 3.624 and attr store1 > 3.564 ) and 
      (bondedto (attr store1 < 147.064083947  and attr store1 > 146.264083947 ) or 
       bondedto (attr store1 < 51.5786386844  and attr store1 > 50.7786386844 ))) 
6 0.1 0.1 peak 401 volume 16.51583 ppm1 3.594 ppm2 3.028
 
! ############### C13_CNnoesy_manual.402 folded -
assi (attr store1 < 2.565 and attr store1 > 2.465 )
     ((attr store1 < 3.629 and attr store1 > 3.569 ) and 
      (bondedto (attr store1 < 147.040083947  and attr store1 > 146.240083947 ) or 
       bondedto (attr store1 < 51.5546386844  and attr store1 > 50.7546386844 ))) 
6 0.1 0.1 peak 402 volume 9.1749 ppm1 3.599 ppm2 2.515
 
! ############### C13_CNnoesy_manual.403 folded -
assi (attr store1 < 2.319 and attr store1 > 2.219 )
     ((attr store1 < 3.625 and attr store1 > 3.565 ) and 
      (bondedto (attr store1 < 147.058083947  and attr store1 > 146.258083947 ) or 
       bondedto (attr store1 < 51.5726386844  and attr store1 > 50.7726386844 ))) 
6 0.1 0.1 peak 403 volume 48.88728 ppm1 3.595 ppm2 2.269
 
! ############### C13_CNnoesy_manual.404 folded -
assi (attr store1 < 1.968 and attr store1 > 1.868 )
     ((attr store1 < 3.626 and attr store1 > 3.566 ) and 
      (bondedto (attr store1 < 147.068083947  and attr store1 > 146.268083947 ) or 
       bondedto (attr store1 < 51.5826386844  and attr store1 > 50.7826386844 ))) 
6 0.1 0.1 peak 404 volume 14.31351 ppm1 3.596 ppm2 1.918
 
! ############### C13_CNnoesy_manual.405 folded -
assi (attr store1 < 1.751 and attr store1 > 1.651 )
     ((attr store1 < 3.627 and attr store1 > 3.567 ) and 
      (bondedto (attr store1 < 147.059083947  and attr store1 > 146.259083947 ) or 
       bondedto (attr store1 < 51.5736386844  and attr store1 > 50.7736386844 ))) 
6 0.1 0.1 peak 405 volume 36.96047 ppm1 3.597 ppm2 1.701
 
! ############### C13_CNnoesy_manual.406 folded -
assi (attr store1 < 1.383 and attr store1 > 1.283 )
     ((attr store1 < 3.627 and attr store1 > 3.567 ) and 
      (bondedto (attr store1 < 147.073083947  and attr store1 > 146.273083947 ) or 
       bondedto (attr store1 < 51.5876386844  and attr store1 > 50.7876386844 ))) 
6 0.1 0.1 peak 406 volume 19.16302 ppm1 3.597 ppm2 1.333
 
! ############### C13_CNnoesy_manual.407 folded +
assi (attr store1 < 2.859 and attr store1 > 2.759 )
     ((attr store1 < 2.841 and attr store1 > 2.781 ) and 
      (bondedto (attr store1 < 123.086722631  and attr store1 > 122.286722631 ) or 
       bondedto (attr store1 < 75.344  and attr store1 > 74.544 ) or 
       bondedto (attr store1 < 27.6012773688  and attr store1 > 26.8012773688 ))) 
6 0.1 0.1 peak 407 volume 73.23154 ppm1 2.811 ppm2 2.809
 
! ############### C13_CNnoesy_manual.408 folded +
assi (attr store1 < 2.502 and attr store1 > 2.402 )
     ((attr store1 < 2.485 and attr store1 > 2.425 ) and 
      (bondedto (attr store1 < 123.098722631  and attr store1 > 122.298722631 ) or 
       bondedto (attr store1 < 75.356  and attr store1 > 74.556 ) or 
       bondedto (attr store1 < 27.6132773688  and attr store1 > 26.8132773688 ))) 
6 0.1 0.1 peak 408 volume 34.13864 ppm1 2.455 ppm2 2.452
 
! ############### C13_CNnoesy_manual.409 folded +
assi (attr store1 < 8.233 and attr store1 > 8.133 )
     ((attr store1 < 1.822 and attr store1 > 1.762 ) and 
      (bondedto (attr store1 < 123.084722631  and attr store1 > 122.284722631 ) or 
       bondedto (attr store1 < 75.342  and attr store1 > 74.542 ) or 
       bondedto (attr store1 < 27.5992773688  and attr store1 > 26.7992773688 ))) 
6 0.1 0.1 peak 409 volume 19.33813 ppm1 1.792 ppm2 8.183
 
! ############### C13_CNnoesy_manual.410 folded +
assi (attr store1 < 1.051 and attr store1 > 0.951 )
     ((attr store1 < 1.824 and attr store1 > 1.764 ) and 
      (bondedto (attr store1 < 123.122722631  and attr store1 > 122.322722631 ) or 
       bondedto (attr store1 < 75.38  and attr store1 > 74.58 ) or 
       bondedto (attr store1 < 27.6372773688  and attr store1 > 26.8372773688 ))) 
6 0.1 0.1 peak 410 volume 74.03678 ppm1 1.794 ppm2 1.001
 
! ############### C13_CNnoesy_manual.411 folded +
assi (attr store1 < 7.366 and attr store1 > 7.266 )
     ((attr store1 < 1.803 and attr store1 > 1.743 ) and 
      (bondedto (attr store1 < 123.091722631  and attr store1 > 122.291722631 ) or 
       bondedto (attr store1 < 75.349  and attr store1 > 74.549 ) or 
       bondedto (attr store1 < 27.6062773688  and attr store1 > 26.8062773688 ))) 
6 0.1 0.1 peak 411 volume 31.62081 ppm1 1.773 ppm2 7.316
 
! ############### C13_CNnoesy_manual.412 folded +
assi (attr store1 < 4.014 and attr store1 > 3.914 )
     ((attr store1 < 1.807 and attr store1 > 1.747 ) and 
      (bondedto (attr store1 < 123.093722631  and attr store1 > 122.293722631 ) or 
       bondedto (attr store1 < 75.351  and attr store1 > 74.551 ) or 
       bondedto (attr store1 < 27.6082773688  and attr store1 > 26.8082773688 ))) 
6 0.1 0.1 peak 412 volume 17.63613 ppm1 1.777 ppm2 3.964
 
! ############### C13_CNnoesy_manual.413 folded +
assi (attr store1 < 1.26 and attr store1 > 1.16 )
     ((attr store1 < 1.806 and attr store1 > 1.746 ) and 
      (bondedto (attr store1 < 123.115722631  and attr store1 > 122.315722631 ) or 
       bondedto (attr store1 < 75.373  and attr store1 > 74.573 ) or 
       bondedto (attr store1 < 27.6302773688  and attr store1 > 26.8302773688 ))) 
6 0.1 0.1 peak 413 volume 28.63361 ppm1 1.776 ppm2 1.210
 
! ############### C13_CNnoesy_manual.414 folded +
assi (attr store1 < 0.9 and attr store1 > 0.8 )
     ((attr store1 < 1.673 and attr store1 > 1.613 ) and 
      (bondedto (attr store1 < 123.140722631  and attr store1 > 122.340722631 ) or 
       bondedto (attr store1 < 75.398  and attr store1 > 74.598 ) or 
       bondedto (attr store1 < 27.6552773688  and attr store1 > 26.8552773688 ))) 
6 0.1 0.1 peak 414 volume 6.55550 ppm1 1.643 ppm2 0.850
 
! ############### C13_CNnoesy_manual.415 folded +
assi (attr store1 < 7.279 and attr store1 > 7.179 )
     ((attr store1 < 1.624 and attr store1 > 1.564 ) and 
      (bondedto (attr store1 < 123.093722631  and attr store1 > 122.293722631 ) or 
       bondedto (attr store1 < 75.351  and attr store1 > 74.551 ) or 
       bondedto (attr store1 < 27.6082773688  and attr store1 > 26.8082773688 ))) 
6 0.1 0.1 peak 415 volume 23.15982 ppm1 1.594 ppm2 7.229
 
! ############### C13_CNnoesy_manual.416 folded +
assi (attr store1 < 3.869 and attr store1 > 3.769 )
     ((attr store1 < 1.624 and attr store1 > 1.564 ) and 
      (bondedto (attr store1 < 123.089722631  and attr store1 > 122.289722631 ) or 
       bondedto (attr store1 < 75.347  and attr store1 > 74.547 ) or 
       bondedto (attr store1 < 27.6042773688  and attr store1 > 26.8042773688 ))) 
6 0.1 0.1 peak 416 volume 14.50577 ppm1 1.594 ppm2 3.819
 
! ############### C13_CNnoesy_manual.417 folded +
assi (attr store1 < 0.798 and attr store1 > 0.698 )
     ((attr store1 < 1.625 and attr store1 > 1.565 ) and 
      (bondedto (attr store1 < 123.090722631  and attr store1 > 122.290722631 ) or 
       bondedto (attr store1 < 75.348  and attr store1 > 74.548 ) or 
       bondedto (attr store1 < 27.6052773688  and attr store1 > 26.8052773688 ))) 
6 0.1 0.1 peak 417 volume 26.75903 ppm1 1.595 ppm2 0.748
 
! ############### C13_CNnoesy_manual.418 folded +
assi (attr store1 < 0.113 and attr store1 > 0.013 )
     ((attr store1 < 1.623 and attr store1 > 1.563 ) and 
      (bondedto (attr store1 < 123.075722631  and attr store1 > 122.275722631 ) or 
       bondedto (attr store1 < 75.333  and attr store1 > 74.533 ) or 
       bondedto (attr store1 < 27.5902773688  and attr store1 > 26.7902773688 ))) 
6 0.1 0.1 peak 418 volume 133.27985 ppm1 1.593 ppm2 0.063
 
! ############### C13_CNnoesy_manual.419 folded +
assi (attr store1 < 1.559 and attr store1 > 1.459 )
     ((attr store1 < 1.536 and attr store1 > 1.476 ) and 
      (bondedto (attr store1 < 123.075722631  and attr store1 > 122.275722631 ) or 
       bondedto (attr store1 < 75.333  and attr store1 > 74.533 ) or 
       bondedto (attr store1 < 27.5902773688  and attr store1 > 26.7902773688 ))) 
6 0.1 0.1 peak 419 volume 342.52878 ppm1 1.506 ppm2 1.509
 
! ############### C13_CNnoesy_manual.420 folded +
assi (attr store1 < 1.646 and attr store1 > 1.546 )
     ((attr store1 < 0.107 and attr store1 > 0.047 ) and 
      (bondedto (attr store1 < 123.079722631  and attr store1 > 122.279722631 ) or 
       bondedto (attr store1 < 75.337  and attr store1 > 74.537 ) or 
       bondedto (attr store1 < 27.5942773688  and attr store1 > 26.7942773688 ))) 
6 0.1 0.1 peak 420 volume 50.41231 ppm1 0.077 ppm2 1.596
 
! ############### C13_CNnoesy_manual.421 folded +
assi (attr store1 < 7.282 and attr store1 > 7.182 )
     ((attr store1 < 0.068 and attr store1 > 0.008 ) and 
      (bondedto (attr store1 < 123.068722631  and attr store1 > 122.268722631 ) or 
       bondedto (attr store1 < 75.326  and attr store1 > 74.526 ) or 
       bondedto (attr store1 < 27.5832773688  and attr store1 > 26.7832773688 ))) 
6 0.1 0.1 peak 421 volume 9.64214 ppm1 0.038 ppm2 7.232
 
! ############### C13_CNnoesy_manual.422 folded +
assi (attr store1 < 0.797 and attr store1 > 0.697 )
     ((attr store1 < 0.068 and attr store1 > 0.008 ) and 
      (bondedto (attr store1 < 123.093722631  and attr store1 > 122.293722631 ) or 
       bondedto (attr store1 < 75.351  and attr store1 > 74.551 ) or 
       bondedto (attr store1 < 27.6082773688  and attr store1 > 26.8082773688 ))) 
6 0.1 0.1 peak 422 volume 21.36058 ppm1 0.038 ppm2 0.747
 
! ############### C13_CNnoesy_manual.423 folded +
assi (attr store1 < 0.114 and attr store1 > 0.014 )
     ((attr store1 < 0.068 and attr store1 > 0.008 ) and 
      (bondedto (attr store1 < 123.071722631  and attr store1 > 122.271722631 ) or 
       bondedto (attr store1 < 75.329  and attr store1 > 74.529 ) or 
       bondedto (attr store1 < 27.5862773688  and attr store1 > 26.7862773688 ))) 
6 0.1 0.1 peak 423 volume 110.11987 ppm1 0.038 ppm2 0.064
 
! ############### C13_CNnoesy_manual.424 folded +
assi (attr store1 < 1.644 and attr store1 > 1.544 )
     ((attr store1 < 0.067 and attr store1 > 0.007 ) and 
      (bondedto (attr store1 < 123.071722631  and attr store1 > 122.271722631 ) or 
       bondedto (attr store1 < 75.329  and attr store1 > 74.529 ) or 
       bondedto (attr store1 < 27.5862773688  and attr store1 > 26.7862773688 ))) 
6 0.1 0.1 peak 424 volume 59.96177 ppm1 0.037 ppm2 1.594
 
! ############### C13_CNnoesy_manual.425 folded +
assi (attr store1 < 3.997 and attr store1 > 3.897 )
     ((attr store1 < 2.733 and attr store1 > 2.673 ) and 
      (bondedto (attr store1 < 122.961722631  and attr store1 > 122.161722631 ) or 
       bondedto (attr store1 < 75.219  and attr store1 > 74.419 ) or 
       bondedto (attr store1 < 27.4762773688  and attr store1 > 26.6762773688 ))) 
6 0.1 0.1 peak 425 volume 28.23522 ppm1 2.703 ppm2 3.947
 
! ############### C13_CNnoesy_manual.426 folded +
assi (attr store1 < 4.0 and attr store1 > 3.9 )
     ((attr store1 < 2.609 and attr store1 > 2.549 ) and 
      (bondedto (attr store1 < 122.964722631  and attr store1 > 122.164722631 ) or 
       bondedto (attr store1 < 75.222  and attr store1 > 74.422 ) or 
       bondedto (attr store1 < 27.4792773688  and attr store1 > 26.6792773688 ))) 
6 0.1 0.1 peak 426 volume 33.56963 ppm1 2.579 ppm2 3.950
 
! ############### C13_CNnoesy_manual.427 folded +
assi (attr store1 < 2.941 and attr store1 > 2.841 )
     ((attr store1 < 1.885 and attr store1 > 1.825 ) and 
      (bondedto (attr store1 < 122.999722631  and attr store1 > 122.199722631 ) or 
       bondedto (attr store1 < 75.257  and attr store1 > 74.457 ) or 
       bondedto (attr store1 < 27.5142773688  and attr store1 > 26.7142773688 ))) 
6 0.1 0.1 peak 427 volume 9.56972 ppm1 1.855 ppm2 2.891
 
! ############### C13_CNnoesy_manual.428 folded +
assi (attr store1 < 1.564 and attr store1 > 1.464 )
     ((attr store1 < 1.882 and attr store1 > 1.822 ) and 
      (bondedto (attr store1 < 122.974722631  and attr store1 > 122.174722631 ) or 
       bondedto (attr store1 < 75.232  and attr store1 > 74.432 ) or 
       bondedto (attr store1 < 27.4892773688  and attr store1 > 26.6892773688 ))) 
6 0.1 0.1 peak 428 volume 80.54347 ppm1 1.852 ppm2 1.514
 
! ############### C13_CNnoesy_manual.429 folded +
assi (attr store1 < 4.474 and attr store1 > 4.374 )
     ((attr store1 < 1.598 and attr store1 > 1.538 ) and 
      (bondedto (attr store1 < 122.984722631  and attr store1 > 122.184722631 ) or 
       bondedto (attr store1 < 75.242  and attr store1 > 74.442 ) or 
       bondedto (attr store1 < 27.4992773688  and attr store1 > 26.6992773688 ))) 
6 0.1 0.1 peak 429 volume 13.36921 ppm1 1.568 ppm2 4.424
 
! ############### C13_CNnoesy_manual.430 folded +
assi (attr store1 < 0.959 and attr store1 > 0.859 )
     ((attr store1 < 1.602 and attr store1 > 1.542 ) and 
      (bondedto (attr store1 < 123.030722631  and attr store1 > 122.230722631 ) or 
       bondedto (attr store1 < 75.288  and attr store1 > 74.488 ) or 
       bondedto (attr store1 < 27.5452773688  and attr store1 > 26.7452773688 ))) 
6 0.1 0.1 peak 430 volume 24.76387 ppm1 1.572 ppm2 0.909
 
! ############### C13_CNnoesy_manual.431 folded +
assi (attr store1 < 8.712 and attr store1 > 8.612 )
     ((attr store1 < 1.545 and attr store1 > 1.485 ) and 
      (bondedto (attr store1 < 122.997722631  and attr store1 > 122.197722631 ) or 
       bondedto (attr store1 < 75.255  and attr store1 > 74.455 ) or 
       bondedto (attr store1 < 27.5122773688  and attr store1 > 26.7122773688 ))) 
6 0.1 0.1 peak 431 volume 7.97251 ppm1 1.515 ppm2 8.662
 
! ############### C13_CNnoesy_manual.432 folded +
assi (attr store1 < 4.244 and attr store1 > 4.144 )
     ((attr store1 < 1.545 and attr store1 > 1.485 ) and 
      (bondedto (attr store1 < 123.002722631  and attr store1 > 122.202722631 ) or 
       bondedto (attr store1 < 75.26  and attr store1 > 74.46 ) or 
       bondedto (attr store1 < 27.5172773688  and attr store1 > 26.7172773688 ))) 
6 0.1 0.1 peak 432 volume 20.19365 ppm1 1.515 ppm2 4.194
 
! ############### C13_CNnoesy_manual.433 folded +
assi (attr store1 < 3.038 and attr store1 > 2.938 )
     ((attr store1 < 1.543 and attr store1 > 1.483 ) and 
      (bondedto (attr store1 < 122.971722631  and attr store1 > 122.171722631 ) or 
       bondedto (attr store1 < 75.229  and attr store1 > 74.429 ) or 
       bondedto (attr store1 < 27.4862773688  and attr store1 > 26.6862773688 ))) 
6 0.1 0.1 peak 433 volume 12.23127 ppm1 1.513 ppm2 2.988
 
! ############### C13_CNnoesy_manual.434 folded +
assi (attr store1 < 2.947 and attr store1 > 2.847 )
     ((attr store1 < 1.54 and attr store1 > 1.48 ) and 
      (bondedto (attr store1 < 122.988722631  and attr store1 > 122.188722631 ) or 
       bondedto (attr store1 < 75.246  and attr store1 > 74.446 ) or 
       bondedto (attr store1 < 27.5032773688  and attr store1 > 26.7032773688 ))) 
6 0.1 0.1 peak 434 volume 11.62467 ppm1 1.510 ppm2 2.897
 
! ############### C13_CNnoesy_manual.435 folded +
assi (attr store1 < 1.883 and attr store1 > 1.783 )
     ((attr store1 < 1.543 and attr store1 > 1.483 ) and 
      (bondedto (attr store1 < 122.980722631  and attr store1 > 122.180722631 ) or 
       bondedto (attr store1 < 75.238  and attr store1 > 74.438 ) or 
       bondedto (attr store1 < 27.4952773688  and attr store1 > 26.6952773688 ))) 
6 0.1 0.1 peak 435 volume 117.61229 ppm1 1.513 ppm2 1.833
 
! ############### C13_CNnoesy_manual.436 folded +
assi (attr store1 < 4.52 and attr store1 > 4.42 )
     ((attr store1 < 1.511 and attr store1 > 1.451 ) and 
      (bondedto (attr store1 < 122.960722631  and attr store1 > 122.160722631 ) or 
       bondedto (attr store1 < 75.218  and attr store1 > 74.418 ) or 
       bondedto (attr store1 < 27.4752773688  and attr store1 > 26.6752773688 ))) 
6 0.1 0.1 peak 436 volume 5.74429 ppm1 1.481 ppm2 4.470
 
! ############### C13_CNnoesy_manual.437 folded +
assi (attr store1 < 4.156 and attr store1 > 4.056 )
     ((attr store1 < 0.071 and attr store1 > 0.011 ) and 
      (bondedto (attr store1 < 123.045722631  and attr store1 > 122.245722631 ) or 
       bondedto (attr store1 < 75.303  and attr store1 > 74.503 ) or 
       bondedto (attr store1 < 27.5602773688  and attr store1 > 26.7602773688 ))) 
6 0.1 0.1 peak 437 volume 12.35931 ppm1 0.041 ppm2 4.106
 
! ############### C13_CNnoesy_manual.438 folded +
assi (attr store1 < 7.901 and attr store1 > 7.801 )
     ((attr store1 < 2.733 and attr store1 > 2.673 ) and 
      (bondedto (attr store1 < 122.943722631  and attr store1 > 122.143722631 ) or 
       bondedto (attr store1 < 75.201  and attr store1 > 74.401 ) or 
       bondedto (attr store1 < 27.4582773688  and attr store1 > 26.6582773688 ))) 
6 0.1 0.1 peak 438 volume 22.46120 ppm1 2.703 ppm2 7.851
 
! ############### C13_CNnoesy_manual.439 folded +
assi (attr store1 < 2.752 and attr store1 > 2.652 )
     ((attr store1 < 2.734 and attr store1 > 2.674 ) and 
      (bondedto (attr store1 < 122.943722631  and attr store1 > 122.143722631 ) or 
       bondedto (attr store1 < 75.201  and attr store1 > 74.401 ) or 
       bondedto (attr store1 < 27.4582773688  and attr store1 > 26.6582773688 ))) 
6 0.1 0.1 peak 439 volume 239.11937 ppm1 2.704 ppm2 2.702
 
! ############### C13_CNnoesy_manual.440 folded +
assi (attr store1 < 2.631 and attr store1 > 2.531 )
     ((attr store1 < 2.734 and attr store1 > 2.674 ) and 
      (bondedto (attr store1 < 122.944722631  and attr store1 > 122.144722631 ) or 
       bondedto (attr store1 < 75.202  and attr store1 > 74.402 ) or 
       bondedto (attr store1 < 27.4592773688  and attr store1 > 26.6592773688 ))) 
6 0.1 0.1 peak 440 volume 220.61519 ppm1 2.704 ppm2 2.581
 
! ############### C13_CNnoesy_manual.441 folded +
assi (attr store1 < 1.418 and attr store1 > 1.318 )
     ((attr store1 < 2.731 and attr store1 > 2.671 ) and 
      (bondedto (attr store1 < 122.932722631  and attr store1 > 122.132722631 ) or 
       bondedto (attr store1 < 75.19  and attr store1 > 74.39 ) or 
       bondedto (attr store1 < 27.4472773688  and attr store1 > 26.6472773688 ))) 
6 0.1 0.1 peak 441 volume 9.65107 ppm1 2.701 ppm2 1.368
 
! ############### C13_CNnoesy_manual.442 folded +
assi (attr store1 < 7.904 and attr store1 > 7.804 )
     ((attr store1 < 2.608 and attr store1 > 2.548 ) and 
      (bondedto (attr store1 < 122.943722631  and attr store1 > 122.143722631 ) or 
       bondedto (attr store1 < 75.201  and attr store1 > 74.401 ) or 
       bondedto (attr store1 < 27.4582773688  and attr store1 > 26.6582773688 ))) 
6 0.1 0.1 peak 442 volume 20.80134 ppm1 2.578 ppm2 7.854
 
! ############### C13_CNnoesy_manual.443 folded +
assi (attr store1 < 2.75 and attr store1 > 2.65 )
     ((attr store1 < 2.608 and attr store1 > 2.548 ) and 
      (bondedto (attr store1 < 122.947722631  and attr store1 > 122.147722631 ) or 
       bondedto (attr store1 < 75.205  and attr store1 > 74.405 ) or 
       bondedto (attr store1 < 27.4622773688  and attr store1 > 26.6622773688 ))) 
6 0.1 0.1 peak 443 volume 219.74750 ppm1 2.578 ppm2 2.700
 
! ############### C13_CNnoesy_manual.444 folded +
assi (attr store1 < 2.629 and attr store1 > 2.529 )
     ((attr store1 < 2.608 and attr store1 > 2.548 ) and 
      (bondedto (attr store1 < 122.952722631  and attr store1 > 122.152722631 ) or 
       bondedto (attr store1 < 75.21  and attr store1 > 74.41 ) or 
       bondedto (attr store1 < 27.4672773688  and attr store1 > 26.6672773688 ))) 
6 0.1 0.1 peak 444 volume 262.22137 ppm1 2.578 ppm2 2.579
 
! ############### C13_CNnoesy_manual.445 folded +
assi (attr store1 < 1.424 and attr store1 > 1.324 )
     ((attr store1 < 2.606 and attr store1 > 2.546 ) and 
      (bondedto (attr store1 < 122.948722631  and attr store1 > 122.148722631 ) or 
       bondedto (attr store1 < 75.206  and attr store1 > 74.406 ) or 
       bondedto (attr store1 < 27.4632773688  and attr store1 > 26.6632773688 ))) 
6 0.1 0.1 peak 445 volume 10.00114 ppm1 2.576 ppm2 1.374
 
! ############### C13_CNnoesy_manual.446 folded +
assi (attr store1 < 4.253 and attr store1 > 4.153 )
     ((attr store1 < 1.894 and attr store1 > 1.834 ) and 
      (bondedto (attr store1 < 122.916722631  and attr store1 > 122.116722631 ) or 
       bondedto (attr store1 < 75.174  and attr store1 > 74.374 ) or 
       bondedto (attr store1 < 27.4312773688  and attr store1 > 26.6312773688 ))) 
6 0.1 0.1 peak 446 volume 26.92739 ppm1 1.864 ppm2 4.203
 
! ############### C13_CNnoesy_manual.447 folded +
assi (attr store1 < 4.09 and attr store1 > 3.99 )
     ((attr store1 < 1.896 and attr store1 > 1.836 ) and 
      (bondedto (attr store1 < 122.889722631  and attr store1 > 122.089722631 ) or 
       bondedto (attr store1 < 75.147  and attr store1 > 74.347 ) or 
       bondedto (attr store1 < 27.4042773688  and attr store1 > 26.6042773688 ))) 
6 0.1 0.1 peak 447 volume 13.25149 ppm1 1.866 ppm2 4.040
 
! ############### C13_CNnoesy_manual.448 folded +
assi (attr store1 < 1.108 and attr store1 > 1.008 )
     ((attr store1 < 1.894 and attr store1 > 1.834 ) and 
      (bondedto (attr store1 < 122.947722631  and attr store1 > 122.147722631 ) or 
       bondedto (attr store1 < 75.205  and attr store1 > 74.405 ) or 
       bondedto (attr store1 < 27.4622773688  and attr store1 > 26.6622773688 ))) 
6 0.1 0.1 peak 448 volume 43.29671 ppm1 1.864 ppm2 1.058
 
! ############### C13_CNnoesy_manual.449 folded +
assi (attr store1 < 8.701 and attr store1 > 8.601 )
     ((attr store1 < 1.891 and attr store1 > 1.831 ) and 
      (bondedto (attr store1 < 122.935722631  and attr store1 > 122.135722631 ) or 
       bondedto (attr store1 < 75.193  and attr store1 > 74.393 ) or 
       bondedto (attr store1 < 27.4502773688  and attr store1 > 26.6502773688 ))) 
6 0.1 0.1 peak 449 volume 16.21602 ppm1 1.861 ppm2 8.651
 
! ############### C13_CNnoesy_manual.450 folded +
assi (attr store1 < 1.621 and attr store1 > 1.521 )
     ((attr store1 < 1.6 and attr store1 > 1.54 ) and 
      (bondedto (attr store1 < 122.935722631  and attr store1 > 122.135722631 ) or 
       bondedto (attr store1 < 75.193  and attr store1 > 74.393 ) or 
       bondedto (attr store1 < 27.4502773688  and attr store1 > 26.6502773688 ))) 
6 0.1 0.1 peak 450 volume 888.87213 ppm1 1.570 ppm2 1.571
 
! ############### C13_CNnoesy_manual.451 folded +
assi (attr store1 < 3.835 and attr store1 > 3.735 )
     ((attr store1 < 3.997 and attr store1 > 3.937 ) and 
      (bondedto (attr store1 < 122.801722631  and attr store1 > 122.001722631 ) or 
       bondedto (attr store1 < 75.059  and attr store1 > 74.259 ) or 
       bondedto (attr store1 < 27.3162773688  and attr store1 > 26.5162773688 ))) 
6 0.1 0.1 peak 451 volume 43.76809 ppm1 3.967 ppm2 3.785
 
! ############### C13_CNnoesy_manual.452 folded +
assi (attr store1 < 8.519 and attr store1 > 8.419 )
     ((attr store1 < 1.897 and attr store1 > 1.837 ) and 
      (bondedto (attr store1 < 122.837722631  and attr store1 > 122.037722631 ) or 
       bondedto (attr store1 < 75.095  and attr store1 > 74.295 ) or 
       bondedto (attr store1 < 27.3522773688  and attr store1 > 26.5522773688 ))) 
6 0.1 0.1 peak 452 volume 27.08913 ppm1 1.867 ppm2 8.469
 
! ############### C13_CNnoesy_manual.453 folded +
assi (attr store1 < 7.683 and attr store1 > 7.583 )
     ((attr store1 < 1.745 and attr store1 > 1.685 ) and 
      (bondedto (attr store1 < 122.842722631  and attr store1 > 122.042722631 ) or 
       bondedto (attr store1 < 75.1  and attr store1 > 74.3 ) or 
       bondedto (attr store1 < 27.3572773688  and attr store1 > 26.5572773688 ))) 
6 0.1 0.1 peak 453 volume 10.34777 ppm1 1.715 ppm2 7.633
 
! ############### C13_CNnoesy_manual.454 folded +
assi (attr store1 < 4.593 and attr store1 > 4.493 )
     ((attr store1 < 1.74 and attr store1 > 1.68 ) and 
      (bondedto (attr store1 < 122.842722631  and attr store1 > 122.042722631 ) or 
       bondedto (attr store1 < 75.1  and attr store1 > 74.3 ) or 
       bondedto (attr store1 < 27.3572773688  and attr store1 > 26.5572773688 ))) 
6 0.1 0.1 peak 454 volume 18.18761 ppm1 1.710 ppm2 4.543
 
! ############### C13_CNnoesy_manual.455 folded +
assi (attr store1 < 2.52 and attr store1 > 2.42 )
     ((attr store1 < 1.737 and attr store1 > 1.677 ) and 
      (bondedto (attr store1 < 122.839722631  and attr store1 > 122.039722631 ) or 
       bondedto (attr store1 < 75.097  and attr store1 > 74.297 ) or 
       bondedto (attr store1 < 27.3542773688  and attr store1 > 26.5542773688 ))) 
6 0.1 0.1 peak 455 volume 10.91106 ppm1 1.707 ppm2 2.470
 
! ############### C13_CNnoesy_manual.456 folded +
assi (attr store1 < 8.739 and attr store1 > 8.639 )
     ((attr store1 < 0.816 and attr store1 > 0.756 ) and 
      (bondedto (attr store1 < 122.824722631  and attr store1 > 122.024722631 ) or 
       bondedto (attr store1 < 75.082  and attr store1 > 74.282 ) or 
       bondedto (attr store1 < 27.3392773688  and attr store1 > 26.5392773688 ))) 
6 0.1 0.1 peak 456 volume 17.62116 ppm1 0.786 ppm2 8.689
 
! ############### C13_CNnoesy_manual.457 folded +
assi (attr store1 < 8.47 and attr store1 > 8.37 )
     ((attr store1 < 0.822 and attr store1 > 0.762 ) and 
      (bondedto (attr store1 < 122.800722631  and attr store1 > 122.000722631 ) or 
       bondedto (attr store1 < 75.058  and attr store1 > 74.258 ) or 
       bondedto (attr store1 < 27.3152773688  and attr store1 > 26.5152773688 ))) 
6 0.1 0.1 peak 457 volume 15.79480 ppm1 0.792 ppm2 8.420
 
! ############### C13_CNnoesy_manual.458 folded +
assi (attr store1 < 8.238 and attr store1 > 8.138 )
     ((attr store1 < 0.813 and attr store1 > 0.753 ) and 
      (bondedto (attr store1 < 122.816722631  and attr store1 > 122.016722631 ) or 
       bondedto (attr store1 < 75.074  and attr store1 > 74.274 ) or 
       bondedto (attr store1 < 27.3312773688  and attr store1 > 26.5312773688 ))) 
6 0.1 0.1 peak 458 volume 20.62763 ppm1 0.783 ppm2 8.188
 
! ############### C13_CNnoesy_manual.459 folded +
assi (attr store1 < 7.326 and attr store1 > 7.226 )
     ((attr store1 < 0.813 and attr store1 > 0.753 ) and 
      (bondedto (attr store1 < 122.821722631  and attr store1 > 122.021722631 ) or 
       bondedto (attr store1 < 75.079  and attr store1 > 74.279 ) or 
       bondedto (attr store1 < 27.3362773688  and attr store1 > 26.5362773688 ))) 
6 0.1 0.1 peak 459 volume 9.43608 ppm1 0.783 ppm2 7.276
 
! ############### C13_CNnoesy_manual.460 folded +
assi (attr store1 < 4.887 and attr store1 > 4.787 )
     ((attr store1 < 0.814 and attr store1 > 0.754 ) and 
      (bondedto (attr store1 < 122.782722631  and attr store1 > 121.982722631 ) or 
       bondedto (attr store1 < 75.04  and attr store1 > 74.24 ) or 
       bondedto (attr store1 < 27.2972773688  and attr store1 > 26.4972773688 ))) 
6 0.1 0.1 peak 460 volume 8.49448 ppm1 0.784 ppm2 4.837
 
! ############### C13_CNnoesy_manual.461 folded +
assi (attr store1 < 4.24 and attr store1 > 4.14 )
     ((attr store1 < 0.814 and attr store1 > 0.754 ) and 
      (bondedto (attr store1 < 122.829722631  and attr store1 > 122.029722631 ) or 
       bondedto (attr store1 < 75.087  and attr store1 > 74.287 ) or 
       bondedto (attr store1 < 27.3442773688  and attr store1 > 26.5442773688 ))) 
6 0.1 0.1 peak 461 volume 23.15647 ppm1 0.784 ppm2 4.190
 
! ############### C13_CNnoesy_manual.462 folded +
assi (attr store1 < 3.853 and attr store1 > 3.753 )
     ((attr store1 < 0.815 and attr store1 > 0.755 ) and 
      (bondedto (attr store1 < 122.837722631  and attr store1 > 122.037722631 ) or 
       bondedto (attr store1 < 75.095  and attr store1 > 74.295 ) or 
       bondedto (attr store1 < 27.3522773688  and attr store1 > 26.5522773688 ))) 
6 0.1 0.1 peak 462 volume 31.33783 ppm1 0.785 ppm2 3.803
 
! ############### C13_CNnoesy_manual.463 folded +
assi (attr store1 < 3.531 and attr store1 > 3.431 )
     ((attr store1 < 0.82 and attr store1 > 0.76 ) and 
      (bondedto (attr store1 < 122.790722631  and attr store1 > 121.990722631 ) or 
       bondedto (attr store1 < 75.048  and attr store1 > 74.248 ) or 
       bondedto (attr store1 < 27.3052773688  and attr store1 > 26.5052773688 ))) 
6 0.1 0.1 peak 463 volume 27.80534 ppm1 0.790 ppm2 3.481
 
! ############### C13_CNnoesy_manual.464 folded +
assi (attr store1 < 2.011 and attr store1 > 1.911 )
     ((attr store1 < 0.815 and attr store1 > 0.755 ) and 
      (bondedto (attr store1 < 122.808722631  and attr store1 > 122.008722631 ) or 
       bondedto (attr store1 < 75.066  and attr store1 > 74.266 ) or 
       bondedto (attr store1 < 27.3232773688  and attr store1 > 26.5232773688 ))) 
6 0.1 0.1 peak 464 volume 169.84805 ppm1 0.785 ppm2 1.961
 
! ############### C13_CNnoesy_manual.465 folded +
assi (attr store1 < 1.554 and attr store1 > 1.454 )
     ((attr store1 < 0.814 and attr store1 > 0.754 ) and 
      (bondedto (attr store1 < 122.841722631  and attr store1 > 122.041722631 ) or 
       bondedto (attr store1 < 75.099  and attr store1 > 74.299 ) or 
       bondedto (attr store1 < 27.3562773688  and attr store1 > 26.5562773688 ))) 
6 0.1 0.1 peak 465 volume 83.22581 ppm1 0.784 ppm2 1.504
 
! ############### C13_CNnoesy_manual.466 folded +
assi (attr store1 < 0.841 and attr store1 > 0.741 )
     ((attr store1 < 0.82 and attr store1 > 0.76 ) and 
      (bondedto (attr store1 < 122.798722631  and attr store1 > 121.998722631 ) or 
       bondedto (attr store1 < 75.056  and attr store1 > 74.256 ) or 
       bondedto (attr store1 < 27.3132773688  and attr store1 > 26.5132773688 ))) 
6 0.1 0.1 peak 466 volume 2848.13501 ppm1 0.790 ppm2 0.791
 
! ############### C13_CNnoesy_manual.467 folded -
assi (attr store1 < 4.806 and attr store1 > 4.706 )
     ((attr store1 < 3.953 and attr store1 > 3.893 ) and 
      (bondedto (attr store1 < 146.694083947  and attr store1 > 145.894083947 ) or 
       bondedto (attr store1 < 51.2086386844  and attr store1 > 50.4086386844 ))) 
6 0.1 0.1 peak 467 volume 20.91127 ppm1 3.923 ppm2 4.756
 
! ############### C13_CNnoesy_manual.468 folded -
assi (attr store1 < 3.974 and attr store1 > 3.874 )
     ((attr store1 < 3.954 and attr store1 > 3.894 ) and 
      (bondedto (attr store1 < 146.709083947  and attr store1 > 145.909083947 ) or 
       bondedto (attr store1 < 51.2236386844  and attr store1 > 50.4236386844 ))) 
6 0.1 0.1 peak 468 volume 2602.19556 ppm1 3.924 ppm2 3.924
 
! ############### C13_CNnoesy_manual.469 folded -
assi (attr store1 < 3.834 and attr store1 > 3.734 )
     ((attr store1 < 3.954 and attr store1 > 3.894 ) and 
      (bondedto (attr store1 < 146.722083947  and attr store1 > 145.922083947 ) or 
       bondedto (attr store1 < 51.2366386844  and attr store1 > 50.4366386844 ))) 
6 0.1 0.1 peak 469 volume 560.19543 ppm1 3.924 ppm2 3.784
 
! ############### C13_CNnoesy_manual.470 folded -
assi (attr store1 < 2.184 and attr store1 > 2.084 )
     ((attr store1 < 3.956 and attr store1 > 3.896 ) and 
      (bondedto (attr store1 < 146.695083947  and attr store1 > 145.895083947 ) or 
       bondedto (attr store1 < 51.2096386844  and attr store1 > 50.4096386844 ))) 
6 0.1 0.1 peak 470 volume 27.10658 ppm1 3.926 ppm2 2.134
 
! ############### C13_CNnoesy_manual.471 folded -
assi (attr store1 < 4.807 and attr store1 > 4.707 )
     ((attr store1 < 3.815 and attr store1 > 3.755 ) and 
      (bondedto (attr store1 < 146.714083947  and attr store1 > 145.914083947 ) or 
       bondedto (attr store1 < 51.2286386844  and attr store1 > 50.4286386844 ))) 
6 0.1 0.1 peak 471 volume 15.98992 ppm1 3.785 ppm2 4.757
 
! ############### C13_CNnoesy_manual.472 folded -
assi (attr store1 < 3.976 and attr store1 > 3.876 )
     ((attr store1 < 3.816 and attr store1 > 3.756 ) and 
      (bondedto (attr store1 < 146.710083947  and attr store1 > 145.910083947 ) or 
       bondedto (attr store1 < 51.2246386844  and attr store1 > 50.4246386844 ))) 
6 0.1 0.1 peak 472 volume 583.8894 ppm1 3.786 ppm2 3.926
 
! ############### C13_CNnoesy_manual.473 folded -
assi (attr store1 < 3.836 and attr store1 > 3.736 )
     ((attr store1 < 3.815 and attr store1 > 3.755 ) and 
      (bondedto (attr store1 < 146.718083947  and attr store1 > 145.918083947 ) or 
       bondedto (attr store1 < 51.2326386844  and attr store1 > 50.4326386844 ))) 
6 0.1 0.1 peak 473 volume 2594.97681 ppm1 3.785 ppm2 3.786
 
! ############### C13_CNnoesy_manual.474 folded -
assi (attr store1 < 2.177 and attr store1 > 2.077 )
     ((attr store1 < 3.815 and attr store1 > 3.755 ) and 
      (bondedto (attr store1 < 146.722083947  and attr store1 > 145.922083947 ) or 
       bondedto (attr store1 < 51.2366386844  and attr store1 > 50.4366386844 ))) 
6 0.1 0.1 peak 474 volume 25.60101 ppm1 3.785 ppm2 2.127
 
! ############### C13_CNnoesy_manual.475 folded +
assi (attr store1 < 0.85 and attr store1 > 0.75 )
     ((attr store1 < 1.963 and attr store1 > 1.903 ) and 
      (bondedto (attr store1 < 122.709722631  and attr store1 > 121.909722631 ) or 
       bondedto (attr store1 < 74.967  and attr store1 > 74.167 ) or 
       bondedto (attr store1 < 27.2242773688  and attr store1 > 26.4242773688 ))) 
6 0.1 0.1 peak 475 volume 98.01126 ppm1 1.933 ppm2 0.800
 
! ############### C13_CNnoesy_manual.476 folded +
assi (attr store1 < 3.04 and attr store1 > 2.94 )
     ((attr store1 < 0.826 and attr store1 > 0.766 ) and 
      (bondedto (attr store1 < 122.728722631  and attr store1 > 121.928722631 ) or 
       bondedto (attr store1 < 74.986  and attr store1 > 74.186 ) or 
       bondedto (attr store1 < 27.2432773688  and attr store1 > 26.4432773688 ))) 
6 0.1 0.1 peak 476 volume 10.26689 ppm1 0.796 ppm2 2.990
 
! ############### C13_CNnoesy_manual.477 folded +
assi (attr store1 < 4.136 and attr store1 > 4.036 )
     ((attr store1 < 0.822 and attr store1 > 0.762 ) and 
      (bondedto (attr store1 < 122.766722631  and attr store1 > 121.966722631 ) or 
       bondedto (attr store1 < 75.024  and attr store1 > 74.224 ) or 
       bondedto (attr store1 < 27.2812773688  and attr store1 > 26.4812773688 ))) 
6 0.1 0.1 peak 477 volume 20.16237 ppm1 0.792 ppm2 4.086
 
! ############### C13_CNnoesy_manual.478 folded +
assi (attr store1 < 2.001 and attr store1 > 1.901 )
     ((attr store1 < 1.974 and attr store1 > 1.914 ) and 
      (bondedto (attr store1 < 122.593722631  and attr store1 > 121.793722631 ) or 
       bondedto (attr store1 < 74.851  and attr store1 > 74.051 ) or 
       bondedto (attr store1 < 27.1082773688  and attr store1 > 26.3082773688 ))) 
6 0.1 0.1 peak 478 volume 124.04981 ppm1 1.944 ppm2 1.951
 
! ############### C13_CNnoesy_manual.479 folded +
assi (attr store1 < 8.24 and attr store1 > 8.14 )
     ((attr store1 < 1.963 and attr store1 > 1.903 ) and 
      (bondedto (attr store1 < 122.537722631  and attr store1 > 121.737722631 ) or 
       bondedto (attr store1 < 74.795  and attr store1 > 73.995 ) or 
       bondedto (attr store1 < 27.0522773688  and attr store1 > 26.2522773688 ))) 
6 0.1 0.1 peak 479 volume 17.39769 ppm1 1.933 ppm2 8.190
 
! ############### C13_CNnoesy_manual.480 folded -
assi (attr store1 < 7.234 and attr store1 > 7.134 )
     ((attr store1 < 7.752 and attr store1 > 7.692 ) and 
      (bondedto (attr store1 < 146.381083947  and attr store1 > 145.581083947 ) or 
       bondedto (attr store1 < 50.8956386844  and attr store1 > 50.0956386844 ))) 
6 0.1 0.1 peak 480 volume 56.15095 ppm1 7.722 ppm2 7.184
 
! ############### C13_CNnoesy_manual.481 folded -
assi (attr store1 < 7.774 and attr store1 > 7.674 )
     ((attr store1 < 7.217 and attr store1 > 7.157 ) and 
      (bondedto (attr store1 < 146.422083947  and attr store1 > 145.622083947 ) or 
       bondedto (attr store1 < 50.9366386844  and attr store1 > 50.1366386844 ))) 
6 0.1 0.1 peak 481 volume 34.74286 ppm1 7.187 ppm2 7.724
 
! ############### C13_CNnoesy_manual.482 folded +
assi (attr store1 < 7.233 and attr store1 > 7.133 )
     ((attr store1 < 7.215 and attr store1 > 7.155 ) and 
      (bondedto (attr store1 < 122.414722631  and attr store1 > 121.614722631 ) or 
       bondedto (attr store1 < 74.672  and attr store1 > 73.872 ) or 
       bondedto (attr store1 < 26.9292773688  and attr store1 > 26.1292773688 ))) 
6 0.1 0.1 peak 482 volume 304.69250 ppm1 7.185 ppm2 7.183
 
! ############### C13_CNnoesy_manual.483 folded +
assi (attr store1 < 1.819 and attr store1 > 1.719 )
     ((attr store1 < 1.035 and attr store1 > 0.975 ) and 
      (bondedto (attr store1 < 122.463722631  and attr store1 > 121.663722631 ) or 
       bondedto (attr store1 < 74.721  and attr store1 > 73.921 ) or 
       bondedto (attr store1 < 26.9782773688  and attr store1 > 26.1782773688 ))) 
6 0.1 0.1 peak 483 volume 36.73006 ppm1 1.005 ppm2 1.769
 
! ############### C13_CNnoesy_manual.484 folded +
assi (attr store1 < 1.621 and attr store1 > 1.521 )
     ((attr store1 < 1.042 and attr store1 > 0.982 ) and 
      (bondedto (attr store1 < 122.438722631  and attr store1 > 121.638722631 ) or 
       bondedto (attr store1 < 74.696  and attr store1 > 73.896 ) or 
       bondedto (attr store1 < 26.9532773688  and attr store1 > 26.1532773688 ))) 
6 0.1 0.1 peak 484 volume 40.92980 ppm1 1.012 ppm2 1.571
 
! ############### C13_CNnoesy_manual.485 folded -
assi (attr store1 < 2.244 and attr store1 > 2.144 )
     ((attr store1 < 2.09 and attr store1 > 2.03 ) and 
      (bondedto (attr store1 < 146.343083947  and attr store1 > 145.543083947 ) or 
       bondedto (attr store1 < 50.8576386844  and attr store1 > 50.0576386844 ))) 
6 0.1 0.1 peak 485 volume 16.91044 ppm1 2.060 ppm2 2.194
 
! ############### C13_CNnoesy_manual.486 folded -
assi (attr store1 < 2.277 and attr store1 > 2.177 )
     ((attr store1 < 2.057 and attr store1 > 1.997 ) and 
      (bondedto (attr store1 < 146.361083947  and attr store1 > 145.561083947 ) or 
       bondedto (attr store1 < 50.8756386844  and attr store1 > 50.0756386844 ))) 
6 0.1 0.1 peak 486 volume 18.7843 ppm1 2.027 ppm2 2.227
 
! ############### C13_CNnoesy_manual.487 folded -
assi (attr store1 < 1.816 and attr store1 > 1.716 )
     ((attr store1 < 1.796 and attr store1 > 1.736 ) and 
      (bondedto (attr store1 < 146.297083947  and attr store1 > 145.497083947 ) or 
       bondedto (attr store1 < 50.8116386844  and attr store1 > 50.0116386844 ))) 
6 0.1 0.1 peak 487 volume 217.76245 ppm1 1.766 ppm2 1.766
 
! ############### C13_CNnoesy_manual.488 folded +
assi (attr store1 < 1.058 and attr store1 > 0.958 )
     ((attr store1 < 1.589 and attr store1 > 1.529 ) and 
      (bondedto (attr store1 < 122.354722631  and attr store1 > 121.554722631 ) or 
       bondedto (attr store1 < 74.612  and attr store1 > 73.812 ) or 
       bondedto (attr store1 < 26.8692773688  and attr store1 > 26.0692773688 ))) 
6 0.1 0.1 peak 488 volume 27.16120 ppm1 1.559 ppm2 1.008
 
! ############### C13_CNnoesy_manual.489 folded -
assi (attr store1 < 1.843 and attr store1 > 1.743 )
     ((attr store1 < 1.825 and attr store1 > 1.765 ) and 
      (bondedto (attr store1 < 146.246083947  and attr store1 > 145.446083947 ) or 
       bondedto (attr store1 < 50.7606386844  and attr store1 > 49.9606386844 ))) 
6 0.1 0.1 peak 489 volume 180.34094 ppm1 1.795 ppm2 1.793
 
! ############### C13_CNnoesy_manual.490 folded -
assi (attr store1 < 1.35 and attr store1 > 1.25 )
     ((attr store1 < 1.353 and attr store1 > 1.293 ) and 
      (bondedto (attr store1 < 146.230083947  and attr store1 > 145.430083947 ) or 
       bondedto (attr store1 < 50.7446386844  and attr store1 > 49.9446386844 ))) 
6 0.1 0.1 peak 490 volume 33.98737 ppm1 1.323 ppm2 1.300
 
! ############### C13_CNnoesy_manual.491 folded -
assi (attr store1 < 0.967 and attr store1 > 0.867 )
     ((attr store1 < 0.949 and attr store1 > 0.889 ) and 
      (bondedto (attr store1 < 146.268083947  and attr store1 > 145.468083947 ) or 
       bondedto (attr store1 < 50.7826386844  and attr store1 > 49.9826386844 ))) 
6 0.1 0.1 peak 491 volume 268.91467 ppm1 0.919 ppm2 0.917
 
! ############### C13_CNnoesy_manual.492 folded +
assi (attr store1 < 2.121 and attr store1 > 2.021 )
     ((attr store1 < 2.459 and attr store1 > 2.399 ) and 
      (bondedto (attr store1 < 122.212722631  and attr store1 > 121.412722631 ) or 
       bondedto (attr store1 < 74.47  and attr store1 > 73.67 ) or 
       bondedto (attr store1 < 26.7272773688  and attr store1 > 25.9272773688 ))) 
6 0.1 0.1 peak 492 volume 12.46136 ppm1 2.429 ppm2 2.071
 
! ############### C13_CNnoesy_manual.493 folded +
assi (attr store1 < 2.48 and attr store1 > 2.38 )
     ((attr store1 < 2.068 and attr store1 > 2.008 ) and 
      (bondedto (attr store1 < 122.202722631  and attr store1 > 121.402722631 ) or 
       bondedto (attr store1 < 74.46  and attr store1 > 73.66 ) or 
       bondedto (attr store1 < 26.7172773688  and attr store1 > 25.9172773688 ))) 
6 0.1 0.1 peak 493 volume 8.67474 ppm1 2.038 ppm2 2.430
 
! ############### C13_CNnoesy_manual.494 folded +
assi (attr store1 < 2.468 and attr store1 > 2.368 )
     ((attr store1 < 2.451 and attr store1 > 2.391 ) and 
      (bondedto (attr store1 < 122.031722631  and attr store1 > 121.231722631 ) or 
       bondedto (attr store1 < 74.289  and attr store1 > 73.489 ) or 
       bondedto (attr store1 < 26.5462773688  and attr store1 > 25.7462773688 ))) 
6 0.1 0.1 peak 494 volume 10.94845 ppm1 2.421 ppm2 2.418
 
! ############### C13_CNnoesy_manual.495 folded +
assi (attr store1 < 2.438 and attr store1 > 2.338 )
     ((attr store1 < 2.416 and attr store1 > 2.356 ) and 
      (bondedto (attr store1 < 122.046722631  and attr store1 > 121.246722631 ) or 
       bondedto (attr store1 < 74.304  and attr store1 > 73.504 ) or 
       bondedto (attr store1 < 26.5612773688  and attr store1 > 25.7612773688 ))) 
6 0.1 0.1 peak 495 volume 10.57624 ppm1 2.386 ppm2 2.388
 
! ############### C13_CNnoesy_manual.496 folded +
assi (attr store1 < 1.167 and attr store1 > 1.067 )
     ((attr store1 < 1.139 and attr store1 > 1.079 ) and 
      (bondedto (attr store1 < 122.088722631  and attr store1 > 121.288722631 ) or 
       bondedto (attr store1 < 74.346  and attr store1 > 73.546 ) or 
       bondedto (attr store1 < 26.6032773688  and attr store1 > 25.8032773688 ))) 
6 0.1 0.1 peak 496 volume 39.46705 ppm1 1.109 ppm2 1.117
 
! ############### C13_CNnoesy_manual.497 folded +
assi (attr store1 < 2.107 and attr store1 > 2.007 )
     ((attr store1 < 2.241 and attr store1 > 2.181 ) and 
      (bondedto (attr store1 < 121.818722631  and attr store1 > 121.018722631 ) or 
       bondedto (attr store1 < 74.076  and attr store1 > 73.276 ) or 
       bondedto (attr store1 < 26.3332773688  and attr store1 > 25.5332773688 ))) 
6 0.1 0.1 peak 497 volume 20.64844 ppm1 2.211 ppm2 2.057
 
! ############### C13_CNnoesy_manual.498 folded +
assi (attr store1 < 2.267 and attr store1 > 2.167 )
     ((attr store1 < 2.088 and attr store1 > 2.028 ) and 
      (bondedto (attr store1 < 121.826722631  and attr store1 > 121.026722631 ) or 
       bondedto (attr store1 < 74.084  and attr store1 > 73.284 ) or 
       bondedto (attr store1 < 26.3412773688  and attr store1 > 25.5412773688 ))) 
6 0.1 0.1 peak 498 volume 15.06250 ppm1 2.058 ppm2 2.217
 
! ############### C13_CNnoesy_manual.499 folded +
assi (attr store1 < 1.022 and attr store1 > 0.922 )
     ((attr store1 < 1.703 and attr store1 > 1.643 ) and 
      (bondedto (attr store1 < 121.791722631  and attr store1 > 120.991722631 ) or 
       bondedto (attr store1 < 74.049  and attr store1 > 73.249 ) or 
       bondedto (attr store1 < 26.3062773688  and attr store1 > 25.5062773688 ))) 
6 0.1 0.1 peak 499 volume 47.70444 ppm1 1.673 ppm2 0.972
 
! ############### C13_CNnoesy_manual.500 folded +
assi (attr store1 < 7.056 and attr store1 > 6.956 )
     ((attr store1 < 1.715 and attr store1 > 1.655 ) and 
      (bondedto (attr store1 < 121.705722631  and attr store1 > 120.905722631 ) or 
       bondedto (attr store1 < 73.963  and attr store1 > 73.163 ) or 
       bondedto (attr store1 < 26.2202773688  and attr store1 > 25.4202773688 ))) 
6 0.1 0.1 peak 500 volume 14.99092 ppm1 1.685 ppm2 7.006
 
! ############### C13_CNnoesy_manual.501 folded +
assi (attr store1 < 3.182 and attr store1 > 3.082 )
     ((attr store1 < 1.713 and attr store1 > 1.653 ) and 
      (bondedto (attr store1 < 121.699722631  and attr store1 > 120.899722631 ) or 
       bondedto (attr store1 < 73.957  and attr store1 > 73.157 ) or 
       bondedto (attr store1 < 26.2142773688  and attr store1 > 25.4142773688 ))) 
6 0.1 0.1 peak 501 volume 20.39478 ppm1 1.683 ppm2 3.132
 
! ############### C13_CNnoesy_manual.502 folded +
assi (attr store1 < 4.361 and attr store1 > 4.261 )
     ((attr store1 < 1.706 and attr store1 > 1.646 ) and 
      (bondedto (attr store1 < 121.732722631  and attr store1 > 120.932722631 ) or 
       bondedto (attr store1 < 73.99  and attr store1 > 73.19 ) or 
       bondedto (attr store1 < 26.2472773688  and attr store1 > 25.4472773688 ))) 
6 0.1 0.1 peak 502 volume 22.88124 ppm1 1.676 ppm2 4.311
 
! ############### C13_CNnoesy_manual.503 folded +
assi (attr store1 < 7.054 and attr store1 > 6.954 )
     ((attr store1 < 1.67 and attr store1 > 1.61 ) and 
      (bondedto (attr store1 < 121.708722631  and attr store1 > 120.908722631 ) or 
       bondedto (attr store1 < 73.966  and attr store1 > 73.166 ) or 
       bondedto (attr store1 < 26.2232773688  and attr store1 > 25.4232773688 ))) 
6 0.1 0.1 peak 503 volume 14.41989 ppm1 1.640 ppm2 7.004
 
! ############### C13_CNnoesy_manual.504 folded +
assi (attr store1 < 4.358 and attr store1 > 4.258 )
     ((attr store1 < 1.68 and attr store1 > 1.62 ) and 
      (bondedto (attr store1 < 121.715722631  and attr store1 > 120.915722631 ) or 
       bondedto (attr store1 < 73.973  and attr store1 > 73.173 ) or 
       bondedto (attr store1 < 26.2302773688  and attr store1 > 25.4302773688 ))) 
6 0.1 0.1 peak 504 volume 22.31391 ppm1 1.650 ppm2 4.308
 
! ############### C13_CNnoesy_manual.505 folded +
assi (attr store1 < 3.18 and attr store1 > 3.08 )
     ((attr store1 < 1.673 and attr store1 > 1.613 ) and 
      (bondedto (attr store1 < 121.702722631  and attr store1 > 120.902722631 ) or 
       bondedto (attr store1 < 73.96  and attr store1 > 73.16 ) or 
       bondedto (attr store1 < 26.2172773688  and attr store1 > 25.4172773688 ))) 
6 0.1 0.1 peak 505 volume 20.93336 ppm1 1.643 ppm2 3.130
 
! ############### C13_CNnoesy_manual.506 folded +
assi (attr store1 < 1.053 and attr store1 > 0.953 )
     ((attr store1 < 1.6 and attr store1 > 1.54 ) and 
      (bondedto (attr store1 < 121.700722631  and attr store1 > 120.900722631 ) or 
       bondedto (attr store1 < 73.958  and attr store1 > 73.158 ) or 
       bondedto (attr store1 < 26.2152773688  and attr store1 > 25.4152773688 ))) 
6 0.1 0.1 peak 506 volume 38.65123 ppm1 1.570 ppm2 1.003
 
! ############### C13_CNnoesy_manual.507 folded +
assi (attr store1 < 1.61 and attr store1 > 1.51 )
     ((attr store1 < 1.047 and attr store1 > 0.987 ) and 
      (bondedto (attr store1 < 121.709722631  and attr store1 > 120.909722631 ) or 
       bondedto (attr store1 < 73.967  and attr store1 > 73.167 ) or 
       bondedto (attr store1 < 26.2242773688  and attr store1 > 25.4242773688 ))) 
6 0.1 0.1 peak 507 volume 59.68476 ppm1 1.017 ppm2 1.560
 
! ############### C13_CNnoesy_manual.508 folded +
assi (attr store1 < 8.582 and attr store1 > 8.482 )
     ((attr store1 < 1.037 and attr store1 > 0.977 ) and 
      (bondedto (attr store1 < 121.735722631  and attr store1 > 120.935722631 ) or 
       bondedto (attr store1 < 73.993  and attr store1 > 73.193 ) or 
       bondedto (attr store1 < 26.2502773688  and attr store1 > 25.4502773688 ))) 
6 0.1 0.1 peak 508 volume 5.60891 ppm1 1.007 ppm2 8.532
 
! ############### C13_CNnoesy_manual.509 folded +
assi (attr store1 < 7.34 and attr store1 > 7.24 )
     ((attr store1 < 1.037 and attr store1 > 0.977 ) and 
      (bondedto (attr store1 < 121.694722631  and attr store1 > 120.894722631 ) or 
       bondedto (attr store1 < 73.952  and attr store1 > 73.152 ) or 
       bondedto (attr store1 < 26.2092773688  and attr store1 > 25.4092773688 ))) 
6 0.1 0.1 peak 509 volume 13.68512 ppm1 1.007 ppm2 7.290
 
! ############### C13_CNnoesy_manual.510 folded +
assi (attr store1 < 6.792 and attr store1 > 6.692 )
     ((attr store1 < 1.038 and attr store1 > 0.978 ) and 
      (bondedto (attr store1 < 121.668722631  and attr store1 > 120.868722631 ) or 
       bondedto (attr store1 < 73.926  and attr store1 > 73.126 ) or 
       bondedto (attr store1 < 26.1832773688  and attr store1 > 25.3832773688 ))) 
6 0.1 0.1 peak 510 volume 34.64536 ppm1 1.008 ppm2 6.742
 
! ############### C13_CNnoesy_manual.511 folded +
assi (attr store1 < 4.243 and attr store1 > 4.143 )
     ((attr store1 < 1.038 and attr store1 > 0.978 ) and 
      (bondedto (attr store1 < 121.654722631  and attr store1 > 120.854722631 ) or 
       bondedto (attr store1 < 73.912  and attr store1 > 73.112 ) or 
       bondedto (attr store1 < 26.1692773688  and attr store1 > 25.3692773688 ))) 
6 0.1 0.1 peak 511 volume 44.72804 ppm1 1.008 ppm2 4.193
 
! ############### C13_CNnoesy_manual.512 folded +
assi (attr store1 < 4.002 and attr store1 > 3.902 )
     ((attr store1 < 1.037 and attr store1 > 0.977 ) and 
      (bondedto (attr store1 < 121.657722631  and attr store1 > 120.857722631 ) or 
       bondedto (attr store1 < 73.915  and attr store1 > 73.115 ) or 
       bondedto (attr store1 < 26.1722773688  and attr store1 > 25.3722773688 ))) 
6 0.1 0.1 peak 512 volume 14.19553 ppm1 1.007 ppm2 3.952
 
! ############### C13_CNnoesy_manual.513 folded +
assi (attr store1 < 0.951 and attr store1 > 0.851 )
     ((attr store1 < 0.932 and attr store1 > 0.872 ) and 
      (bondedto (attr store1 < 121.723722631  and attr store1 > 120.923722631 ) or 
       bondedto (attr store1 < 73.981  and attr store1 > 73.181 ) or 
       bondedto (attr store1 < 26.2382773688  and attr store1 > 25.4382773688 ))) 
6 0.1 0.1 peak 513 volume 133.20834 ppm1 0.902 ppm2 0.901
 
! ############### C13_CNnoesy_manual.514 folded +
assi (attr store1 < 3.118 and attr store1 > 3.018 )
     ((attr store1 < 1.041 and attr store1 > 0.981 ) and 
      (bondedto (attr store1 < 121.644722631  and attr store1 > 120.844722631 ) or 
       bondedto (attr store1 < 73.902  and attr store1 > 73.102 ) or 
       bondedto (attr store1 < 26.1592773688  and attr store1 > 25.3592773688 ))) 
6 0.1 0.1 peak 514 volume 16.20937 ppm1 1.011 ppm2 3.068
 
! ############### C13_CNnoesy_manual.515 folded +
assi (attr store1 < 2.176 and attr store1 > 2.076 )
     ((attr store1 < 1.04 and attr store1 > 0.98 ) and 
      (bondedto (attr store1 < 121.584722631  and attr store1 > 120.784722631 ) or 
       bondedto (attr store1 < 73.842  and attr store1 > 73.042 ) or 
       bondedto (attr store1 < 26.0992773688  and attr store1 > 25.2992773688 ))) 
6 0.1 0.1 peak 515 volume 13.45114 ppm1 1.010 ppm2 2.126
 
! ############### C13_CNnoesy_manual.516 folded +
assi (attr store1 < 1.818 and attr store1 > 1.718 )
     ((attr store1 < 1.039 and attr store1 > 0.979 ) and 
      (bondedto (attr store1 < 121.620722631  and attr store1 > 120.820722631 ) or 
       bondedto (attr store1 < 73.878  and attr store1 > 73.078 ) or 
       bondedto (attr store1 < 26.1352773688  and attr store1 > 25.3352773688 ))) 
6 0.1 0.1 peak 516 volume 103.94283 ppm1 1.009 ppm2 1.768
 
! ############### C13_CNnoesy_manual.517 folded +
assi (attr store1 < 1.718 and attr store1 > 1.618 )
     ((attr store1 < 1.691 and attr store1 > 1.631 ) and 
      (bondedto (attr store1 < 121.547722631  and attr store1 > 120.747722631 ) or 
       bondedto (attr store1 < 73.805  and attr store1 > 73.005 ) or 
       bondedto (attr store1 < 26.0622773688  and attr store1 > 25.2622773688 ))) 
6 0.1 0.1 peak 517 volume 667.17133 ppm1 1.661 ppm2 1.668
 
! ############### C13_CNnoesy_manual.518 folded +
assi (attr store1 < 8.463 and attr store1 > 8.363 )
     ((attr store1 < 1.622 and attr store1 > 1.562 ) and 
      (bondedto (attr store1 < 121.503722631  and attr store1 > 120.703722631 ) or 
       bondedto (attr store1 < 73.761  and attr store1 > 72.961 ) or 
       bondedto (attr store1 < 26.0182773688  and attr store1 > 25.2182773688 ))) 
6 0.1 0.1 peak 518 volume 9.20294 ppm1 1.592 ppm2 8.413
 
! ############### C13_CNnoesy_manual.519 folded +
assi (attr store1 < 3.124 and attr store1 > 3.024 )
     ((attr store1 < 1.625 and attr store1 > 1.565 ) and 
      (bondedto (attr store1 < 121.479722631  and attr store1 > 120.679722631 ) or 
       bondedto (attr store1 < 73.737  and attr store1 > 72.937 ) or 
       bondedto (attr store1 < 25.9942773688  and attr store1 > 25.1942773688 ))) 
6 0.1 0.1 peak 519 volume 16.56431 ppm1 1.595 ppm2 3.074
 
! ############### C13_CNnoesy_manual.520 folded +
assi (attr store1 < 8.462 and attr store1 > 8.362 )
     ((attr store1 < 1.795 and attr store1 > 1.735 ) and 
      (bondedto (attr store1 < 121.461722631  and attr store1 > 120.661722631 ) or 
       bondedto (attr store1 < 73.719  and attr store1 > 72.919 ) or 
       bondedto (attr store1 < 25.9762773688  and attr store1 > 25.1762773688 ))) 
6 0.1 0.1 peak 520 volume 12.33515 ppm1 1.765 ppm2 8.412
 
! ############### C13_CNnoesy_manual.521 folded +
assi (attr store1 < 3.123 and attr store1 > 3.023 )
     ((attr store1 < 1.786 and attr store1 > 1.726 ) and 
      (bondedto (attr store1 < 121.402722631  and attr store1 > 120.602722631 ) or 
       bondedto (attr store1 < 73.66  and attr store1 > 72.86 ) or 
       bondedto (attr store1 < 25.9172773688  and attr store1 > 25.1172773688 ))) 
6 0.1 0.1 peak 521 volume 14.13851 ppm1 1.756 ppm2 3.073
 
! ############### C13_CNnoesy_manual.522 folded +
assi (attr store1 < 4.593 and attr store1 > 4.493 )
     ((attr store1 < 1.06 and attr store1 > 1.0 ) and 
      (bondedto (attr store1 < 121.436722631  and attr store1 > 120.636722631 ) or 
       bondedto (attr store1 < 73.694  and attr store1 > 72.894 ) or 
       bondedto (attr store1 < 25.9512773688  and attr store1 > 25.1512773688 ))) 
6 0.1 0.1 peak 522 volume 20.45418 ppm1 1.030 ppm2 4.543
 
! ############### C13_CNnoesy_manual.523 folded +
assi (attr store1 < 2.509 and attr store1 > 2.409 )
     ((attr store1 < 1.063 and attr store1 > 1.003 ) and 
      (bondedto (attr store1 < 121.451722631  and attr store1 > 120.651722631 ) or 
       bondedto (attr store1 < 73.709  and attr store1 > 72.909 ) or 
       bondedto (attr store1 < 25.9662773688  and attr store1 > 25.1662773688 ))) 
6 0.1 0.1 peak 523 volume 11.60771 ppm1 1.033 ppm2 2.459
 
! ############### C13_CNnoesy_manual.524 folded +
assi (attr store1 < 8.025 and attr store1 > 7.925 )
     ((attr store1 < 1.057 and attr store1 > 0.997 ) and 
      (bondedto (attr store1 < 121.382722631  and attr store1 > 120.582722631 ) or 
       bondedto (attr store1 < 73.64  and attr store1 > 72.84 ) or 
       bondedto (attr store1 < 25.8972773688  and attr store1 > 25.0972773688 ))) 
6 0.1 0.1 peak 524 volume 6.53096 ppm1 1.027 ppm2 7.975
 
! ############### C13_CNnoesy_manual.525 folded +
assi (attr store1 < 4.174 and attr store1 > 4.074 )
     ((attr store1 < 1.786 and attr store1 > 1.726 ) and 
      (bondedto (attr store1 < 121.339722631  and attr store1 > 120.539722631 ) or 
       bondedto (attr store1 < 73.597  and attr store1 > 72.797 ) or 
       bondedto (attr store1 < 25.8542773688  and attr store1 > 25.0542773688 ))) 
6 0.1 0.1 peak 525 volume 19.23891 ppm1 1.756 ppm2 4.124
 
! ############### C13_CNnoesy_manual.526 folded +
assi (attr store1 < 2.048 and attr store1 > 1.948 )
     ((attr store1 < 1.781 and attr store1 > 1.721 ) and 
      (bondedto (attr store1 < 121.320722631  and attr store1 > 120.520722631 ) or 
       bondedto (attr store1 < 73.578  and attr store1 > 72.778 ) or 
       bondedto (attr store1 < 25.8352773688  and attr store1 > 25.0352773688 ))) 
6 0.1 0.1 peak 526 volume 118.16265 ppm1 1.751 ppm2 1.998
 
! ############### C13_CNnoesy_manual.527 folded +
assi (attr store1 < 1.81 and attr store1 > 1.71 )
     ((attr store1 < 1.782 and attr store1 > 1.722 ) and 
      (bondedto (attr store1 < 121.330722631  and attr store1 > 120.530722631 ) or 
       bondedto (attr store1 < 73.588  and attr store1 > 72.788 ) or 
       bondedto (attr store1 < 25.8452773688  and attr store1 > 25.0452773688 ))) 
6 0.1 0.1 peak 527 volume 589.05890 ppm1 1.752 ppm2 1.760
 
! ############### C13_CNnoesy_manual.528 folded +
assi (attr store1 < 2.025 and attr store1 > 1.925 )
     ((attr store1 < 1.71 and attr store1 > 1.65 ) and 
      (bondedto (attr store1 < 121.333722631  and attr store1 > 120.533722631 ) or 
       bondedto (attr store1 < 73.591  and attr store1 > 72.791 ) or 
       bondedto (attr store1 < 25.8482773688  and attr store1 > 25.0482773688 ))) 
6 0.1 0.1 peak 528 volume 73.86537 ppm1 1.680 ppm2 1.975
 
! ############### C13_CNnoesy_manual.529 folded +
assi (attr store1 < 3.117 and attr store1 > 3.017 )
     ((attr store1 < 1.587 and attr store1 > 1.527 ) and 
      (bondedto (attr store1 < 121.285722631  and attr store1 > 120.485722631 ) or 
       bondedto (attr store1 < 73.543  and attr store1 > 72.743 ) or 
       bondedto (attr store1 < 25.8002773688  and attr store1 > 25.0002773688 ))) 
6 0.1 0.1 peak 529 volume 19.68987 ppm1 1.557 ppm2 3.067
 
! ############### C13_CNnoesy_manual.530 folded +
assi (attr store1 < 4.618 and attr store1 > 4.518 )
     ((attr store1 < 7.752 and attr store1 > 7.692 ) and 
      (bondedto (attr store1 < 121.265722631  and attr store1 > 120.465722631 ) or 
       bondedto (attr store1 < 73.523  and attr store1 > 72.723 ) or 
       bondedto (attr store1 < 25.7802773688  and attr store1 > 24.9802773688 ))) 
6 0.1 0.1 peak 530 volume 14.86324 ppm1 7.722 ppm2 4.568
 
! ############### C13_CNnoesy_manual.531 folded +
assi (attr store1 < 1.767 and attr store1 > 1.667 )
     ((attr store1 < 2.014 and attr store1 > 1.954 ) and 
      (bondedto (attr store1 < 121.231722631  and attr store1 > 120.431722631 ) or 
       bondedto (attr store1 < 73.489  and attr store1 > 72.689 ) or 
       bondedto (attr store1 < 25.7462773688  and attr store1 > 24.9462773688 ))) 
6 0.1 0.1 peak 531 volume 33.85956 ppm1 1.984 ppm2 1.717
 
! ############### C13_CNnoesy_manual.532 folded +
assi (attr store1 < 1.61 and attr store1 > 1.51 )
     ((attr store1 < 2.013 and attr store1 > 1.953 ) and 
      (bondedto (attr store1 < 121.225722631  and attr store1 > 120.425722631 ) or 
       bondedto (attr store1 < 73.483  and attr store1 > 72.683 ) or 
       bondedto (attr store1 < 25.7402773688  and attr store1 > 24.9402773688 ))) 
6 0.1 0.1 peak 532 volume 42.98484 ppm1 1.983 ppm2 1.560
 
! ############### C13_CNnoesy_manual.533 folded +
assi (attr store1 < 4.895 and attr store1 > 4.795 )
     ((attr store1 < 1.772 and attr store1 > 1.712 ) and 
      (bondedto (attr store1 < 121.238722631  and attr store1 > 120.438722631 ) or 
       bondedto (attr store1 < 73.496  and attr store1 > 72.696 ) or 
       bondedto (attr store1 < 25.7532773688  and attr store1 > 24.9532773688 ))) 
6 0.1 0.1 peak 533 volume 9.15888 ppm1 1.742 ppm2 4.845
 
! ############### C13_CNnoesy_manual.534 folded +
assi (attr store1 < 7.857 and attr store1 > 7.757 )
     ((attr store1 < 1.707 and attr store1 > 1.647 ) and 
      (bondedto (attr store1 < 121.278722631  and attr store1 > 120.478722631 ) or 
       bondedto (attr store1 < 73.536  and attr store1 > 72.736 ) or 
       bondedto (attr store1 < 25.7932773688  and attr store1 > 24.9932773688 ))) 
6 0.1 0.1 peak 534 volume 9.36157 ppm1 1.677 ppm2 7.807
 
! ############### C13_CNnoesy_manual.535 folded +
assi (attr store1 < 4.182 and attr store1 > 4.082 )
     ((attr store1 < 1.706 and attr store1 > 1.646 ) and 
      (bondedto (attr store1 < 121.267722631  and attr store1 > 120.467722631 ) or 
       bondedto (attr store1 < 73.525  and attr store1 > 72.725 ) or 
       bondedto (attr store1 < 25.7822773688  and attr store1 > 24.9822773688 ))) 
6 0.1 0.1 peak 535 volume 19.00090 ppm1 1.676 ppm2 4.132
 
! ############### C13_CNnoesy_manual.536 folded +
assi (attr store1 < 3.088 and attr store1 > 2.988 )
     ((attr store1 < 1.708 and attr store1 > 1.648 ) and 
      (bondedto (attr store1 < 121.258722631  and attr store1 > 120.458722631 ) or 
       bondedto (attr store1 < 73.516  and attr store1 > 72.716 ) or 
       bondedto (attr store1 < 25.7732773688  and attr store1 > 24.9732773688 ))) 
6 0.1 0.1 peak 536 volume 13.75276 ppm1 1.678 ppm2 3.038
 
! ############### C13_CNnoesy_manual.537 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 1.585 and attr store1 > 1.525 ) and 
      (bondedto (attr store1 < 121.229722631  and attr store1 > 120.429722631 ) or 
       bondedto (attr store1 < 73.487  and attr store1 > 72.687 ) or 
       bondedto (attr store1 < 25.7442773688  and attr store1 > 24.9442773688 ))) 
6 0.1 0.1 peak 537 volume 13.54350 ppm1 1.555 ppm2 4.839
 
! ############### C13_CNnoesy_manual.538 folded +
assi (attr store1 < 4.167 and attr store1 > 4.067 )
     ((attr store1 < 1.585 and attr store1 > 1.525 ) and 
      (bondedto (attr store1 < 121.256722631  and attr store1 > 120.456722631 ) or 
       bondedto (attr store1 < 73.514  and attr store1 > 72.714 ) or 
       bondedto (attr store1 < 25.7712773688  and attr store1 > 24.9712773688 ))) 
6 0.1 0.1 peak 538 volume 40.65648 ppm1 1.555 ppm2 4.117
 
! ############### C13_CNnoesy_manual.539 folded +
assi (attr store1 < 2.026 and attr store1 > 1.926 )
     ((attr store1 < 1.586 and attr store1 > 1.526 ) and 
      (bondedto (attr store1 < 121.240722631  and attr store1 > 120.440722631 ) or 
       bondedto (attr store1 < 73.498  and attr store1 > 72.698 ) or 
       bondedto (attr store1 < 25.7552773688  and attr store1 > 24.9552773688 ))) 
6 0.1 0.1 peak 539 volume 122.35192 ppm1 1.556 ppm2 1.976
 
! ############### C13_CNnoesy_manual.540 folded +
assi (attr store1 < 4.476 and attr store1 > 4.376 )
     ((attr store1 < 1.04 and attr store1 > 0.98 ) and 
      (bondedto (attr store1 < 121.273722631  and attr store1 > 120.473722631 ) or 
       bondedto (attr store1 < 73.531  and attr store1 > 72.731 ) or 
       bondedto (attr store1 < 25.7882773688  and attr store1 > 24.9882773688 ))) 
6 0.1 0.1 peak 540 volume 15.45657 ppm1 1.010 ppm2 4.426
 
! ############### C13_CNnoesy_manual.541 folded +
assi (attr store1 < 1.059 and attr store1 > 0.959 )
     ((attr store1 < 1.041 and attr store1 > 0.981 ) and 
      (bondedto (attr store1 < 121.267722631  and attr store1 > 120.467722631 ) or 
       bondedto (attr store1 < 73.525  and attr store1 > 72.725 ) or 
       bondedto (attr store1 < 25.7822773688  and attr store1 > 24.9822773688 ))) 
6 0.1 0.1 peak 541 volume 8548.81152 ppm1 1.011 ppm2 1.009
 
! ############### C13_CNnoesy_manual.542 folded +
assi (attr store1 < 1.022 and attr store1 > 0.922 )
     ((attr store1 < 1.003 and attr store1 > 0.943 ) and 
      (bondedto (attr store1 < 121.255722631  and attr store1 > 120.455722631 ) or 
       bondedto (attr store1 < 73.513  and attr store1 > 72.713 ) or 
       bondedto (attr store1 < 25.7702773688  and attr store1 > 24.9702773688 ))) 
6 0.1 0.1 peak 542 volume 9598.72168 ppm1 0.973 ppm2 0.972
 
! ############### C13_CNnoesy_manual.543 folded -
assi (attr store1 < 7.773 and attr store1 > 7.673 )
     ((attr store1 < 7.214 and attr store1 > 7.154 ) and 
      (bondedto (attr store1 < 145.093083947  and attr store1 > 144.293083947 ) or 
       bondedto (attr store1 < 49.6076386844  and attr store1 > 48.8076386844 ))) 
6 0.1 0.1 peak 543 volume 52.58799 ppm1 7.184 ppm2 7.723
 
! ############### C13_CNnoesy_manual.544 folded -
assi (attr store1 < 1.609 and attr store1 > 1.509 )
     ((attr store1 < 1.043 and attr store1 > 0.983 ) and 
      (bondedto (attr store1 < 145.077083947  and attr store1 > 144.277083947 ) or 
       bondedto (attr store1 < 49.5916386844  and attr store1 > 48.7916386844 ))) 
6 0.1 0.1 peak 544 volume 112.3666 ppm1 1.013 ppm2 1.559
 
! ############### C13_CNnoesy_manual.545 folded +
assi (attr store1 < 1.805 and attr store1 > 1.705 )
     ((attr store1 < 1.582 and attr store1 > 1.522 ) and 
      (bondedto (attr store1 < 121.171722631  and attr store1 > 120.371722631 ) or 
       bondedto (attr store1 < 73.429  and attr store1 > 72.629 ) or 
       bondedto (attr store1 < 25.6862773688  and attr store1 > 24.8862773688 ))) 
6 0.1 0.1 peak 545 volume 487.06732 ppm1 1.552 ppm2 1.755
 
! ############### C13_CNnoesy_manual.546 folded +
assi (attr store1 < 7.858 and attr store1 > 7.758 )
     ((attr store1 < 1.578 and attr store1 > 1.518 ) and 
      (bondedto (attr store1 < 121.182722631  and attr store1 > 120.382722631 ) or 
       bondedto (attr store1 < 73.44  and attr store1 > 72.64 ) or 
       bondedto (attr store1 < 25.6972773688  and attr store1 > 24.8972773688 ))) 
6 0.1 0.1 peak 546 volume 9.63364 ppm1 1.548 ppm2 7.808
 
! ############### C13_CNnoesy_manual.547 folded -
assi (attr store1 < 7.232 and attr store1 > 7.132 )
     ((attr store1 < 7.751 and attr store1 > 7.691 ) and 
      (bondedto (attr store1 < 145.056083947  and attr store1 > 144.256083947 ) or 
       bondedto (attr store1 < 49.5706386844  and attr store1 > 48.7706386844 ))) 
6 0.1 0.1 peak 547 volume 35.70935 ppm1 7.721 ppm2 7.182
 
! ############### C13_CNnoesy_manual.548 folded +
assi (attr store1 < 1.182 and attr store1 > 1.082 )
     ((attr store1 < 1.166 and attr store1 > 1.106 ) and 
      (bondedto (attr store1 < 121.066722631  and attr store1 > 120.266722631 ) or 
       bondedto (attr store1 < 73.324  and attr store1 > 72.524 ) or 
       bondedto (attr store1 < 25.5812773688  and attr store1 > 24.7812773688 ))) 
6 0.1 0.1 peak 548 volume 57.84460 ppm1 1.136 ppm2 1.132
 
! ############### C13_CNnoesy_manual.549 folded +
assi (attr store1 < 7.078 and attr store1 > 6.978 )
     ((attr store1 < 1.011 and attr store1 > 0.951 ) and 
      (bondedto (attr store1 < 120.933722631  and attr store1 > 120.133722631 ) or 
       bondedto (attr store1 < 73.191  and attr store1 > 72.391 ) or 
       bondedto (attr store1 < 25.4482773688  and attr store1 > 24.6482773688 ))) 
6 0.1 0.1 peak 549 volume 10.97106 ppm1 0.981 ppm2 7.028
 
! ############### C13_CNnoesy_manual.550 folded +
assi (attr store1 < 4.253 and attr store1 > 4.153 )
     ((attr store1 < 1.013 and attr store1 > 0.953 ) and 
      (bondedto (attr store1 < 120.928722631  and attr store1 > 120.128722631 ) or 
       bondedto (attr store1 < 73.186  and attr store1 > 72.386 ) or 
       bondedto (attr store1 < 25.4432773688  and attr store1 > 24.6432773688 ))) 
6 0.1 0.1 peak 550 volume 32.65373 ppm1 0.983 ppm2 4.203
 
! ############### C13_CNnoesy_manual.551 folded +
assi (attr store1 < 4.09 and attr store1 > 3.99 )
     ((attr store1 < 1.012 and attr store1 > 0.952 ) and 
      (bondedto (attr store1 < 120.908722631  and attr store1 > 120.108722631 ) or 
       bondedto (attr store1 < 73.166  and attr store1 > 72.366 ) or 
       bondedto (attr store1 < 25.4232773688  and attr store1 > 24.6232773688 ))) 
6 0.1 0.1 peak 551 volume 35.32254 ppm1 0.982 ppm2 4.040
 
! ############### C13_CNnoesy_manual.552 folded +
assi (attr store1 < 2.044 and attr store1 > 1.944 )
     ((attr store1 < 1.012 and attr store1 > 0.952 ) and 
      (bondedto (attr store1 < 120.921722631  and attr store1 > 120.121722631 ) or 
       bondedto (attr store1 < 73.179  and attr store1 > 72.379 ) or 
       bondedto (attr store1 < 25.4362773688  and attr store1 > 24.6362773688 ))) 
6 0.1 0.1 peak 552 volume 47.20533 ppm1 0.982 ppm2 1.994
 
! ############### C13_CNnoesy_manual.553 folded +
assi (attr store1 < 0.771 and attr store1 > 0.671 )
     ((attr store1 < 1.012 and attr store1 > 0.952 ) and 
      (bondedto (attr store1 < 120.909722631  and attr store1 > 120.109722631 ) or 
       bondedto (attr store1 < 73.167  and attr store1 > 72.367 ) or 
       bondedto (attr store1 < 25.4242773688  and attr store1 > 24.6242773688 ))) 
6 0.1 0.1 peak 553 volume 54.55354 ppm1 0.982 ppm2 0.721
 
! ############### C13_CNnoesy_manual.554 folded +
assi (attr store1 < 2.102 and attr store1 > 2.002 )
     ((attr store1 < 2.087 and attr store1 > 2.027 ) and 
      (bondedto (attr store1 < 120.843722631  and attr store1 > 120.043722631 ) or 
       bondedto (attr store1 < 73.101  and attr store1 > 72.301 ) or 
       bondedto (attr store1 < 25.3582773688  and attr store1 > 24.5582773688 ))) 
6 0.1 0.1 peak 554 volume 142.50917 ppm1 2.057 ppm2 2.052
 
! ############### C13_CNnoesy_manual.555 folded +
assi (attr store1 < 2.004 and attr store1 > 1.904 )
     ((attr store1 < 1.978 and attr store1 > 1.918 ) and 
      (bondedto (attr store1 < 120.820722631  and attr store1 > 120.020722631 ) or 
       bondedto (attr store1 < 73.078  and attr store1 > 72.278 ) or 
       bondedto (attr store1 < 25.3352773688  and attr store1 > 24.5352773688 ))) 
6 0.1 0.1 peak 555 volume 118.66338 ppm1 1.948 ppm2 1.954
 
! ############### C13_CNnoesy_manual.556 folded +
assi (attr store1 < 1.82 and attr store1 > 1.72 )
     ((attr store1 < 1.558 and attr store1 > 1.498 ) and 
      (bondedto (attr store1 < 120.820722631  and attr store1 > 120.020722631 ) or 
       bondedto (attr store1 < 73.078  and attr store1 > 72.278 ) or 
       bondedto (attr store1 < 25.3352773688  and attr store1 > 24.5352773688 ))) 
6 0.1 0.1 peak 556 volume 531.87579 ppm1 1.528 ppm2 1.770
 
! ############### C13_CNnoesy_manual.557 folded +
assi (attr store1 < 8.516 and attr store1 > 8.416 )
     ((attr store1 < 1.013 and attr store1 > 0.953 ) and 
      (bondedto (attr store1 < 120.903722631  and attr store1 > 120.103722631 ) or 
       bondedto (attr store1 < 73.161  and attr store1 > 72.361 ) or 
       bondedto (attr store1 < 25.4182773688  and attr store1 > 24.6182773688 ))) 
6 0.1 0.1 peak 557 volume 8.51332 ppm1 0.983 ppm2 8.466
 
! ############### C13_CNnoesy_manual.558 folded +
assi (attr store1 < 4.46 and attr store1 > 4.36 )
     ((attr store1 < 1.553 and attr store1 > 1.493 ) and 
      (bondedto (attr store1 < 120.764722631  and attr store1 > 119.964722631 ) or 
       bondedto (attr store1 < 73.022  and attr store1 > 72.222 ) or 
       bondedto (attr store1 < 25.2792773688  and attr store1 > 24.4792773688 ))) 
6 0.1 0.1 peak 558 volume 18.89699 ppm1 1.523 ppm2 4.410
 
! ############### C13_CNnoesy_manual.559 folded +
assi (attr store1 < 1.571 and attr store1 > 1.471 )
     ((attr store1 < 1.554 and attr store1 > 1.494 ) and 
      (bondedto (attr store1 < 120.758722631  and attr store1 > 119.958722631 ) or 
       bondedto (attr store1 < 73.016  and attr store1 > 72.216 ) or 
       bondedto (attr store1 < 25.2732773688  and attr store1 > 24.4732773688 ))) 
6 0.1 0.1 peak 559 volume 4129.82812 ppm1 1.524 ppm2 1.521
 
! ############### C13_CNnoesy_manual.560 folded +
assi (attr store1 < 4.884 and attr store1 > 4.784 )
     ((attr store1 < 1.54 and attr store1 > 1.48 ) and 
      (bondedto (attr store1 < 120.782722631  and attr store1 > 119.982722631 ) or 
       bondedto (attr store1 < 73.04  and attr store1 > 72.24 ) or 
       bondedto (attr store1 < 25.2972773688  and attr store1 > 24.4972773688 ))) 
6 0.1 0.1 peak 560 volume 12.64591 ppm1 1.510 ppm2 4.834
 
! ############### C13_CNnoesy_manual.561 folded +
assi (attr store1 < 1.33 and attr store1 > 1.23 )
     ((attr store1 < 1.32 and attr store1 > 1.26 ) and 
      (bondedto (attr store1 < 120.679722631  and attr store1 > 119.879722631 ) or 
       bondedto (attr store1 < 72.937  and attr store1 > 72.137 ) or 
       bondedto (attr store1 < 25.1942773688  and attr store1 > 24.3942773688 ))) 
6 0.1 0.1 peak 561 volume 937.82361 ppm1 1.290 ppm2 1.280
 
! ############### C13_CNnoesy_manual.562 folded +
assi (attr store1 < 2.959 and attr store1 > 2.859 )
     ((attr store1 < 1.306 and attr store1 > 1.246 ) and 
      (bondedto (attr store1 < 120.696722631  and attr store1 > 119.896722631 ) or 
       bondedto (attr store1 < 72.954  and attr store1 > 72.154 ) or 
       bondedto (attr store1 < 25.2112773688  and attr store1 > 24.4112773688 ))) 
6 0.1 0.1 peak 562 volume 15.62207 ppm1 1.276 ppm2 2.909
 
! ############### C13_CNnoesy_manual.563 folded +
assi (attr store1 < 4.07 and attr store1 > 3.97 )
     ((attr store1 < 1.303 and attr store1 > 1.243 ) and 
      (bondedto (attr store1 < 120.691722631  and attr store1 > 119.891722631 ) or 
       bondedto (attr store1 < 72.949  and attr store1 > 72.149 ) or 
       bondedto (attr store1 < 25.2062773688  and attr store1 > 24.4062773688 ))) 
6 0.1 0.1 peak 563 volume 14.63230 ppm1 1.273 ppm2 4.020
 
! ############### C13_CNnoesy_manual.564 folded +
assi (attr store1 < 1.832 and attr store1 > 1.732 )
     ((attr store1 < 1.301 and attr store1 > 1.241 ) and 
      (bondedto (attr store1 < 120.688722631  and attr store1 > 119.888722631 ) or 
       bondedto (attr store1 < 72.946  and attr store1 > 72.146 ) or 
       bondedto (attr store1 < 25.2032773688  and attr store1 > 24.4032773688 ))) 
6 0.1 0.1 peak 564 volume 44.25604 ppm1 1.271 ppm2 1.782
 
! ############### C13_CNnoesy_manual.565 folded +
assi (attr store1 < 1.673 and attr store1 > 1.573 )
     ((attr store1 < 1.296 and attr store1 > 1.236 ) and 
      (bondedto (attr store1 < 120.676722631  and attr store1 > 119.876722631 ) or 
       bondedto (attr store1 < 72.934  and attr store1 > 72.134 ) or 
       bondedto (attr store1 < 25.1912773688  and attr store1 > 24.3912773688 ))) 
6 0.1 0.1 peak 565 volume 74.78741 ppm1 1.266 ppm2 1.623
 
! ############### C13_CNnoesy_manual.566 folded -
assi (attr store1 < 2.187 and attr store1 > 2.087 )
     ((attr store1 < 2.169 and attr store1 > 2.109 ) and 
      (bondedto (attr store1 < 144.502083947  and attr store1 > 143.702083947 ) or 
       bondedto (attr store1 < 49.0166386844  and attr store1 > 48.2166386844 ))) 
6 0.1 0.1 peak 566 volume 48.65709 ppm1 2.139 ppm2 2.137
 
! ############### C13_CNnoesy_manual.567 folded -
assi (attr store1 < 1.826 and attr store1 > 1.726 )
     ((attr store1 < 1.804 and attr store1 > 1.744 ) and 
      (bondedto (attr store1 < 144.530083947  and attr store1 > 143.730083947 ) or 
       bondedto (attr store1 < 49.0446386844  and attr store1 > 48.2446386844 ))) 
6 0.1 0.1 peak 567 volume 391.00818 ppm1 1.774 ppm2 1.776
 
! ############### C13_CNnoesy_manual.568 folded -
assi (attr store1 < 2.26 and attr store1 > 2.16 )
     ((attr store1 < 2.238 and attr store1 > 2.178 ) and 
      (bondedto (attr store1 < 144.414083947  and attr store1 > 143.614083947 ) or 
       bondedto (attr store1 < 48.9286386844  and attr store1 > 48.1286386844 ))) 
6 0.1 0.1 peak 568 volume 31.62246 ppm1 2.208 ppm2 2.210
 
! ############### C13_CNnoesy_manual.569 folded -
assi (attr store1 < 1.941 and attr store1 > 1.841 )
     ((attr store1 < 1.922 and attr store1 > 1.862 ) and 
      (bondedto (attr store1 < 144.477083947  and attr store1 > 143.677083947 ) or 
       bondedto (attr store1 < 48.9916386844  and attr store1 > 48.1916386844 ))) 
6 0.1 0.1 peak 569 volume 34.95687 ppm1 1.892 ppm2 1.891
 
! ############### C13_CNnoesy_manual.570 folded -
assi (attr store1 < 1.722 and attr store1 > 1.622 )
     ((attr store1 < 1.708 and attr store1 > 1.648 ) and 
      (bondedto (attr store1 < 144.439083947  and attr store1 > 143.639083947 ) or 
       bondedto (attr store1 < 48.9536386844  and attr store1 > 48.1536386844 ))) 
6 0.1 0.1 peak 570 volume 122.61983 ppm1 1.678 ppm2 1.672
 
! ############### C13_CNnoesy_manual.571 folded -
assi (attr store1 < 1.668 and attr store1 > 1.568 )
     ((attr store1 < 1.645 and attr store1 > 1.585 ) and 
      (bondedto (attr store1 < 144.485083947  and attr store1 > 143.685083947 ) or 
       bondedto (attr store1 < 48.9996386844  and attr store1 > 48.1996386844 ))) 
6 0.1 0.1 peak 571 volume 97.84042 ppm1 1.615 ppm2 1.618
 
! ############### C13_CNnoesy_manual.572 folded +
assi (attr store1 < 7.153 and attr store1 > 7.053 )
     ((attr store1 < 7.133 and attr store1 > 7.073 ) and 
      (bondedto (attr store1 < 120.483722631  and attr store1 > 119.683722631 ) or 
       bondedto (attr store1 < 72.741  and attr store1 > 71.941 ) or 
       bondedto (attr store1 < 24.9982773688  and attr store1 > 24.1982773688 ))) 
6 0.1 0.1 peak 572 volume 1350.83191 ppm1 7.103 ppm2 7.103
 
! ############### C13_CNnoesy_manual.573 folded +
assi (attr store1 < 3.284 and attr store1 > 3.184 )
     ((attr store1 < 7.133 and attr store1 > 7.073 ) and 
      (bondedto (attr store1 < 120.443722631  and attr store1 > 119.643722631 ) or 
       bondedto (attr store1 < 72.701  and attr store1 > 71.901 ) or 
       bondedto (attr store1 < 24.9582773688  and attr store1 > 24.1582773688 ))) 
6 0.1 0.1 peak 573 volume 14.10972 ppm1 7.103 ppm2 3.234
 
! ############### C13_CNnoesy_manual.574 folded +
assi (attr store1 < 8.451 and attr store1 > 8.351 )
     ((attr store1 < 1.028 and attr store1 > 0.968 ) and 
      (bondedto (attr store1 < 120.448722631  and attr store1 > 119.648722631 ) or 
       bondedto (attr store1 < 72.706  and attr store1 > 71.906 ) or 
       bondedto (attr store1 < 24.9632773688  and attr store1 > 24.1632773688 ))) 
6 0.1 0.1 peak 574 volume 9.63087 ppm1 0.998 ppm2 8.401
 
! ############### C13_CNnoesy_manual.575 folded +
assi (attr store1 < 8.035 and attr store1 > 7.935 )
     ((attr store1 < 1.031 and attr store1 > 0.971 ) and 
      (bondedto (attr store1 < 120.451722631  and attr store1 > 119.651722631 ) or 
       bondedto (attr store1 < 72.709  and attr store1 > 71.909 ) or 
       bondedto (attr store1 < 24.9662773688  and attr store1 > 24.1662773688 ))) 
6 0.1 0.1 peak 575 volume 8.32043 ppm1 1.001 ppm2 7.985
 
! ############### C13_CNnoesy_manual.576 folded +
assi (attr store1 < 6.793 and attr store1 > 6.693 )
     ((attr store1 < 1.029 and attr store1 > 0.969 ) and 
      (bondedto (attr store1 < 120.511722631  and attr store1 > 119.711722631 ) or 
       bondedto (attr store1 < 72.769  and attr store1 > 71.969 ) or 
       bondedto (attr store1 < 25.0262773688  and attr store1 > 24.2262773688 ))) 
6 0.1 0.1 peak 576 volume 7.94561 ppm1 0.999 ppm2 6.743
 
! ############### C13_CNnoesy_manual.577 folded +
assi (attr store1 < 4.613 and attr store1 > 4.513 )
     ((attr store1 < 1.029 and attr store1 > 0.969 ) and 
      (bondedto (attr store1 < 120.457722631  and attr store1 > 119.657722631 ) or 
       bondedto (attr store1 < 72.715  and attr store1 > 71.915 ) or 
       bondedto (attr store1 < 24.9722773688  and attr store1 > 24.1722773688 ))) 
6 0.1 0.1 peak 577 volume 26.79239 ppm1 0.999 ppm2 4.563
 
! ############### C13_CNnoesy_manual.578 folded +
assi (attr store1 < 2.955 and attr store1 > 2.855 )
     ((attr store1 < 1.032 and attr store1 > 0.972 ) and 
      (bondedto (attr store1 < 120.458722631  and attr store1 > 119.658722631 ) or 
       bondedto (attr store1 < 72.716  and attr store1 > 71.916 ) or 
       bondedto (attr store1 < 24.9732773688  and attr store1 > 24.1732773688 ))) 
6 0.1 0.1 peak 578 volume 12.31089 ppm1 1.002 ppm2 2.905
 
! ############### C13_CNnoesy_manual.579 folded +
assi (attr store1 < 1.322 and attr store1 > 1.222 )
     ((attr store1 < 1.025 and attr store1 > 0.965 ) and 
      (bondedto (attr store1 < 120.450722631  and attr store1 > 119.650722631 ) or 
       bondedto (attr store1 < 72.708  and attr store1 > 71.908 ) or 
       bondedto (attr store1 < 24.9652773688  and attr store1 > 24.1652773688 ))) 
6 0.1 0.1 peak 579 volume 64.91368 ppm1 0.995 ppm2 1.272
 
! ############### C13_CNnoesy_manual.580 folded +
assi (attr store1 < 3.495 and attr store1 > 3.395 )
     ((attr store1 < 1.036 and attr store1 > 0.976 ) and 
      (bondedto (attr store1 < 120.440722631  and attr store1 > 119.640722631 ) or 
       bondedto (attr store1 < 72.698  and attr store1 > 71.898 ) or 
       bondedto (attr store1 < 24.9552773688  and attr store1 > 24.1552773688 ))) 
6 0.1 0.1 peak 580 volume 5.56134 ppm1 1.006 ppm2 3.445
 
! ############### C13_CNnoesy_manual.581 folded +
assi (attr store1 < 8.234 and attr store1 > 8.134 )
     ((attr store1 < 1.03 and attr store1 > 0.97 ) and 
      (bondedto (attr store1 < 120.423722631  and attr store1 > 119.623722631 ) or 
       bondedto (attr store1 < 72.681  and attr store1 > 71.881 ) or 
       bondedto (attr store1 < 24.9382773688  and attr store1 > 24.1382773688 ))) 
6 0.1 0.1 peak 581 volume 22.23001 ppm1 1.000 ppm2 8.184
 
! ############### C13_CNnoesy_manual.582 folded +
assi (attr store1 < 7.774 and attr store1 > 7.674 )
     ((attr store1 < 1.031 and attr store1 > 0.971 ) and 
      (bondedto (attr store1 < 120.424722631  and attr store1 > 119.624722631 ) or 
       bondedto (attr store1 < 72.682  and attr store1 > 71.882 ) or 
       bondedto (attr store1 < 24.9392773688  and attr store1 > 24.1392773688 ))) 
6 0.1 0.1 peak 582 volume 18.30501 ppm1 1.001 ppm2 7.724
 
! ############### C13_CNnoesy_manual.583 folded +
assi (attr store1 < 7.237 and attr store1 > 7.137 )
     ((attr store1 < 1.032 and attr store1 > 0.972 ) and 
      (bondedto (attr store1 < 120.356722631  and attr store1 > 119.556722631 ) or 
       bondedto (attr store1 < 72.614  and attr store1 > 71.814 ) or 
       bondedto (attr store1 < 24.8712773688  and attr store1 > 24.0712773688 ))) 
6 0.1 0.1 peak 583 volume 12.60850 ppm1 1.002 ppm2 7.187
 
! ############### C13_CNnoesy_manual.584 folded +
assi (attr store1 < 4.346 and attr store1 > 4.246 )
     ((attr store1 < 1.031 and attr store1 > 0.971 ) and 
      (bondedto (attr store1 < 120.420722631  and attr store1 > 119.620722631 ) or 
       bondedto (attr store1 < 72.678  and attr store1 > 71.878 ) or 
       bondedto (attr store1 < 24.9352773688  and attr store1 > 24.1352773688 ))) 
6 0.1 0.1 peak 584 volume 103.14940 ppm1 1.001 ppm2 4.296
 
! ############### C13_CNnoesy_manual.585 folded +
assi (attr store1 < 3.113 and attr store1 > 3.013 )
     ((attr store1 < 1.031 and attr store1 > 0.971 ) and 
      (bondedto (attr store1 < 120.414722631  and attr store1 > 119.614722631 ) or 
       bondedto (attr store1 < 72.672  and attr store1 > 71.872 ) or 
       bondedto (attr store1 < 24.9292773688  and attr store1 > 24.1292773688 ))) 
6 0.1 0.1 peak 585 volume 28.95414 ppm1 1.001 ppm2 3.063
 
! ############### C13_CNnoesy_manual.586 folded +
assi (attr store1 < 1.841 and attr store1 > 1.741 )
     ((attr store1 < 1.03 and attr store1 > 0.97 ) and 
      (bondedto (attr store1 < 120.398722631  and attr store1 > 119.598722631 ) or 
       bondedto (attr store1 < 72.656  and attr store1 > 71.856 ) or 
       bondedto (attr store1 < 24.9132773688  and attr store1 > 24.1132773688 ))) 
6 0.1 0.1 peak 586 volume 277.47882 ppm1 1.000 ppm2 1.791
 
! ############### C13_CNnoesy_manual.587 folded +
assi (attr store1 < 1.418 and attr store1 > 1.318 )
     ((attr store1 < 1.025 and attr store1 > 0.965 ) and 
      (bondedto (attr store1 < 120.411722631  and attr store1 > 119.611722631 ) or 
       bondedto (attr store1 < 72.669  and attr store1 > 71.869 ) or 
       bondedto (attr store1 < 24.9262773688  and attr store1 > 24.1262773688 ))) 
6 0.1 0.1 peak 587 volume 29.12688 ppm1 0.995 ppm2 1.368
 
! ############### C13_CNnoesy_manual.588 folded +
assi (attr store1 < 1.218 and attr store1 > 1.118 )
     ((attr store1 < 1.029 and attr store1 > 0.969 ) and 
      (bondedto (attr store1 < 120.415722631  and attr store1 > 119.615722631 ) or 
       bondedto (attr store1 < 72.673  and attr store1 > 71.873 ) or 
       bondedto (attr store1 < 24.9302773688  and attr store1 > 24.1302773688 ))) 
6 0.1 0.1 peak 588 volume 163.27950 ppm1 0.999 ppm2 1.168
 
! ############### C13_CNnoesy_manual.589 folded +
assi (attr store1 < 1.051 and attr store1 > 0.951 )
     ((attr store1 < 1.031 and attr store1 > 0.971 ) and 
      (bondedto (attr store1 < 120.431722631  and attr store1 > 119.631722631 ) or 
       bondedto (attr store1 < 72.689  and attr store1 > 71.889 ) or 
       bondedto (attr store1 < 24.9462773688  and attr store1 > 24.1462773688 ))) 
6 0.1 0.1 peak 589 volume 10967.11621 ppm1 1.001 ppm2 1.001
 
! ############### C13_CNnoesy_manual.590 folded -
assi (attr store1 < 2.093 and attr store1 > 1.993 )
     ((attr store1 < 2.073 and attr store1 > 2.013 ) and 
      (bondedto (attr store1 < 144.243083947  and attr store1 > 143.443083947 ) or 
       bondedto (attr store1 < 48.7576386844  and attr store1 > 47.9576386844 ))) 
6 0.1 0.1 peak 590 volume 33.31803 ppm1 2.043 ppm2 2.043
 
! ############### C13_CNnoesy_manual.591 folded +
assi (attr store1 < 1.163 and attr store1 > 1.063 )
     ((attr store1 < 1.166 and attr store1 > 1.106 ) and 
      (bondedto (attr store1 < 120.346722631  and attr store1 > 119.546722631 ) or 
       bondedto (attr store1 < 72.604  and attr store1 > 71.804 ) or 
       bondedto (attr store1 < 24.8612773688  and attr store1 > 24.0612773688 ))) 
6 0.1 0.1 peak 591 volume 99.15747 ppm1 1.136 ppm2 1.113
 
! ############### C13_CNnoesy_manual.592 folded +
assi (attr store1 < 3.151 and attr store1 > 3.051 )
     ((attr store1 < 1.087 and attr store1 > 1.027 ) and 
      (bondedto (attr store1 < 120.296722631  and attr store1 > 119.496722631 ) or 
       bondedto (attr store1 < 72.554  and attr store1 > 71.754 ) or 
       bondedto (attr store1 < 24.8112773688  and attr store1 > 24.0112773688 ))) 
6 0.1 0.1 peak 592 volume 14.94885 ppm1 1.057 ppm2 3.101
 
! ############### C13_CNnoesy_manual.593 folded +
assi (attr store1 < 2.952 and attr store1 > 2.852 )
     ((attr store1 < 1.085 and attr store1 > 1.025 ) and 
      (bondedto (attr store1 < 120.308722631  and attr store1 > 119.508722631 ) or 
       bondedto (attr store1 < 72.566  and attr store1 > 71.766 ) or 
       bondedto (attr store1 < 24.8232773688  and attr store1 > 24.0232773688 ))) 
6 0.1 0.1 peak 593 volume 9.42294 ppm1 1.055 ppm2 2.902
 
! ############### C13_CNnoesy_manual.594 folded +
assi (attr store1 < 2.512 and attr store1 > 2.412 )
     ((attr store1 < 1.084 and attr store1 > 1.024 ) and 
      (bondedto (attr store1 < 120.290722631  and attr store1 > 119.490722631 ) or 
       bondedto (attr store1 < 72.548  and attr store1 > 71.748 ) or 
       bondedto (attr store1 < 24.8052773688  and attr store1 > 24.0052773688 ))) 
6 0.1 0.1 peak 594 volume 46.55375 ppm1 1.054 ppm2 2.462
 
! ############### C13_CNnoesy_manual.595 folded +
assi (attr store1 < 8.01 and attr store1 > 7.91 )
     ((attr store1 < 1.084 and attr store1 > 1.024 ) and 
      (bondedto (attr store1 < 120.280722631  and attr store1 > 119.480722631 ) or 
       bondedto (attr store1 < 72.538  and attr store1 > 71.738 ) or 
       bondedto (attr store1 < 24.7952773688  and attr store1 > 23.9952773688 ))) 
6 0.1 0.1 peak 595 volume 24.92816 ppm1 1.054 ppm2 7.960
 
! ############### C13_CNnoesy_manual.596 folded +
assi (attr store1 < 7.681 and attr store1 > 7.581 )
     ((attr store1 < 1.083 and attr store1 > 1.023 ) and 
      (bondedto (attr store1 < 120.271722631  and attr store1 > 119.471722631 ) or 
       bondedto (attr store1 < 72.529  and attr store1 > 71.729 ) or 
       bondedto (attr store1 < 24.7862773688  and attr store1 > 23.9862773688 ))) 
6 0.1 0.1 peak 596 volume 10.27619 ppm1 1.053 ppm2 7.631
 
! ############### C13_CNnoesy_manual.597 folded +
assi (attr store1 < 6.561 and attr store1 > 6.461 )
     ((attr store1 < 1.083 and attr store1 > 1.023 ) and 
      (bondedto (attr store1 < 120.280722631  and attr store1 > 119.480722631 ) or 
       bondedto (attr store1 < 72.538  and attr store1 > 71.738 ) or 
       bondedto (attr store1 < 24.7952773688  and attr store1 > 23.9952773688 ))) 
6 0.1 0.1 peak 597 volume 21.27470 ppm1 1.053 ppm2 6.511
 
! ############### C13_CNnoesy_manual.598 folded +
assi (attr store1 < 4.594 and attr store1 > 4.494 )
     ((attr store1 < 1.083 and attr store1 > 1.023 ) and 
      (bondedto (attr store1 < 120.288722631  and attr store1 > 119.488722631 ) or 
       bondedto (attr store1 < 72.546  and attr store1 > 71.746 ) or 
       bondedto (attr store1 < 24.8032773688  and attr store1 > 24.0032773688 ))) 
6 0.1 0.1 peak 598 volume 86.55345 ppm1 1.053 ppm2 4.544
 
! ############### C13_CNnoesy_manual.599 folded +
assi (attr store1 < 1.758 and attr store1 > 1.658 )
     ((attr store1 < 1.082 and attr store1 > 1.022 ) and 
      (bondedto (attr store1 < 120.268722631  and attr store1 > 119.468722631 ) or 
       bondedto (attr store1 < 72.526  and attr store1 > 71.726 ) or 
       bondedto (attr store1 < 24.7832773688  and attr store1 > 23.9832773688 ))) 
6 0.1 0.1 peak 599 volume 155.72188 ppm1 1.052 ppm2 1.708
 
! ############### C13_CNnoesy_manual.600 folded +
assi (attr store1 < 3.082 and attr store1 > 2.982 )
     ((attr store1 < 7.238 and attr store1 > 7.178 ) and 
      (bondedto (attr store1 < 120.162722631  and attr store1 > 119.362722631 ) or 
       bondedto (attr store1 < 72.42  and attr store1 > 71.62 ) or 
       bondedto (attr store1 < 24.6772773688  and attr store1 > 23.8772773688 ))) 
6 0.1 0.1 peak 600 volume 10.28621 ppm1 7.208 ppm2 3.032
 
! ############### C13_CNnoesy_manual.601 folded +
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 7.132 and attr store1 > 7.072 ) and 
      (bondedto (attr store1 < 120.250722631  and attr store1 > 119.450722631 ) or 
       bondedto (attr store1 < 72.508  and attr store1 > 71.708 ) or 
       bondedto (attr store1 < 24.7652773688  and attr store1 > 23.9652773688 ))) 
6 0.1 0.1 peak 601 volume 18.44110 ppm1 7.102 ppm2 4.838
 
! ############### C13_CNnoesy_manual.602 folded +
assi (attr store1 < 2.568 and attr store1 > 2.468 )
     ((attr store1 < 2.551 and attr store1 > 2.491 ) and 
      (bondedto (attr store1 < 120.248722631  and attr store1 > 119.448722631 ) or 
       bondedto (attr store1 < 72.506  and attr store1 > 71.706 ) or 
       bondedto (attr store1 < 24.7632773688  and attr store1 > 23.9632773688 ))) 
6 0.1 0.1 peak 602 volume 18.66788 ppm1 2.521 ppm2 2.518
 
! ############### C13_CNnoesy_manual.603 folded +
assi (attr store1 < 2.258 and attr store1 > 2.158 )
     ((attr store1 < 2.09 and attr store1 > 2.03 ) and 
      (bondedto (attr store1 < 120.234722631  and attr store1 > 119.434722631 ) or 
       bondedto (attr store1 < 72.492  and attr store1 > 71.692 ) or 
       bondedto (attr store1 < 24.7492773688  and attr store1 > 23.9492773688 ))) 
6 0.1 0.1 peak 603 volume 11.75160 ppm1 2.060 ppm2 2.208
 
! ############### C13_CNnoesy_manual.604 folded +
assi (attr store1 < 9.265 and attr store1 > 9.165 )
     ((attr store1 < 1.088 and attr store1 > 1.028 ) and 
      (bondedto (attr store1 < 120.174722631  and attr store1 > 119.374722631 ) or 
       bondedto (attr store1 < 72.432  and attr store1 > 71.632 ) or 
       bondedto (attr store1 < 24.6892773688  and attr store1 > 23.8892773688 ))) 
6 0.1 0.1 peak 604 volume 6.00975 ppm1 1.058 ppm2 9.215
 
! ############### C13_CNnoesy_manual.605 folded +
assi (attr store1 < 8.717 and attr store1 > 8.617 )
     ((attr store1 < 1.086 and attr store1 > 1.026 ) and 
      (bondedto (attr store1 < 120.246722631  and attr store1 > 119.446722631 ) or 
       bondedto (attr store1 < 72.504  and attr store1 > 71.704 ) or 
       bondedto (attr store1 < 24.7612773688  and attr store1 > 23.9612773688 ))) 
6 0.1 0.1 peak 605 volume 21.10480 ppm1 1.056 ppm2 8.667
 
! ############### C13_CNnoesy_manual.606 folded +
assi (attr store1 < 8.521 and attr store1 > 8.421 )
     ((attr store1 < 1.086 and attr store1 > 1.026 ) and 
      (bondedto (attr store1 < 120.170722631  and attr store1 > 119.370722631 ) or 
       bondedto (attr store1 < 72.428  and attr store1 > 71.628 ) or 
       bondedto (attr store1 < 24.6852773688  and attr store1 > 23.8852773688 ))) 
6 0.1 0.1 peak 606 volume 14.46022 ppm1 1.056 ppm2 8.471
 
! ############### C13_CNnoesy_manual.607 folded +
assi (attr store1 < 8.224 and attr store1 > 8.124 )
     ((attr store1 < 1.087 and attr store1 > 1.027 ) and 
      (bondedto (attr store1 < 120.214722631  and attr store1 > 119.414722631 ) or 
       bondedto (attr store1 < 72.472  and attr store1 > 71.672 ) or 
       bondedto (attr store1 < 24.7292773688  and attr store1 > 23.9292773688 ))) 
6 0.1 0.1 peak 607 volume 7.07814 ppm1 1.057 ppm2 8.174
 
! ############### C13_CNnoesy_manual.608 folded +
assi (attr store1 < 7.077 and attr store1 > 6.977 )
     ((attr store1 < 1.088 and attr store1 > 1.028 ) and 
      (bondedto (attr store1 < 120.169722631  and attr store1 > 119.369722631 ) or 
       bondedto (attr store1 < 72.427  and attr store1 > 71.627 ) or 
       bondedto (attr store1 < 24.6842773688  and attr store1 > 23.8842773688 ))) 
6 0.1 0.1 peak 608 volume 28.97576 ppm1 1.058 ppm2 7.027
 
! ############### C13_CNnoesy_manual.609 folded +
assi (attr store1 < 4.255 and attr store1 > 4.155 )
     ((attr store1 < 1.087 and attr store1 > 1.027 ) and 
      (bondedto (attr store1 < 120.178722631  and attr store1 > 119.378722631 ) or 
       bondedto (attr store1 < 72.436  and attr store1 > 71.636 ) or 
       bondedto (attr store1 < 24.6932773688  and attr store1 > 23.8932773688 ))) 
6 0.1 0.1 peak 609 volume 94.55423 ppm1 1.057 ppm2 4.205
 
! ############### C13_CNnoesy_manual.610 folded +
assi (attr store1 < 4.096 and attr store1 > 3.996 )
     ((attr store1 < 1.087 and attr store1 > 1.027 ) and 
      (bondedto (attr store1 < 120.175722631  and attr store1 > 119.375722631 ) or 
       bondedto (attr store1 < 72.433  and attr store1 > 71.633 ) or 
       bondedto (attr store1 < 24.6902773688  and attr store1 > 23.8902773688 ))) 
6 0.1 0.1 peak 610 volume 17.00347 ppm1 1.057 ppm2 4.046
 
! ############### C13_CNnoesy_manual.611 folded +
assi (attr store1 < 1.915 and attr store1 > 1.815 )
     ((attr store1 < 1.086 and attr store1 > 1.026 ) and 
      (bondedto (attr store1 < 120.177722631  and attr store1 > 119.377722631 ) or 
       bondedto (attr store1 < 72.435  and attr store1 > 71.635 ) or 
       bondedto (attr store1 < 24.6922773688  and attr store1 > 23.8922773688 ))) 
6 0.1 0.1 peak 611 volume 155.11850 ppm1 1.056 ppm2 1.865
 
! ############### C13_CNnoesy_manual.612 folded +
assi (attr store1 < 1.104 and attr store1 > 1.004 )
     ((attr store1 < 1.086 and attr store1 > 1.026 ) and 
      (bondedto (attr store1 < 120.233722631  and attr store1 > 119.433722631 ) or 
       bondedto (attr store1 < 72.491  and attr store1 > 71.691 ) or 
       bondedto (attr store1 < 24.7482773688  and attr store1 > 23.9482773688 ))) 
6 0.1 0.1 peak 612 volume 8754.12891 ppm1 1.056 ppm2 1.054
 
! ############### C13_CNnoesy_manual.613 folded +
assi (attr store1 < 0.744 and attr store1 > 0.644 )
     ((attr store1 < 1.084 and attr store1 > 1.024 ) and 
      (bondedto (attr store1 < 120.170722631  and attr store1 > 119.370722631 ) or 
       bondedto (attr store1 < 72.428  and attr store1 > 71.628 ) or 
       bondedto (attr store1 < 24.6852773688  and attr store1 > 23.8852773688 ))) 
6 0.1 0.1 peak 613 volume 39.63984 ppm1 1.054 ppm2 0.694
 
! ############### C13_CNnoesy_manual.614 folded +
assi (attr store1 < 4.874 and attr store1 > 4.774 )
     ((attr store1 < 1.083 and attr store1 > 1.023 ) and 
      (bondedto (attr store1 < 120.234722631  and attr store1 > 119.434722631 ) or 
       bondedto (attr store1 < 72.492  and attr store1 > 71.692 ) or 
       bondedto (attr store1 < 24.7492773688  and attr store1 > 23.9492773688 ))) 
6 0.1 0.1 peak 614 volume 58.61692 ppm1 1.053 ppm2 4.824
 
! ############### C13_CNnoesy_manual.615 folded +
assi (attr store1 < 1.271 and attr store1 > 1.171 )
     ((attr store1 < 1.083 and attr store1 > 1.023 ) and 
      (bondedto (attr store1 < 120.244722631  and attr store1 > 119.444722631 ) or 
       bondedto (attr store1 < 72.502  and attr store1 > 71.702 ) or 
       bondedto (attr store1 < 24.7592773688  and attr store1 > 23.9592773688 ))) 
6 0.1 0.1 peak 615 volume 135.64977 ppm1 1.053 ppm2 1.221
 
! ############### C13_CNnoesy_manual.616 folded +
assi (attr store1 < 0.838 and attr store1 > 0.738 )
     ((attr store1 < 1.082 and attr store1 > 1.022 ) and 
      (bondedto (attr store1 < 120.189722631  and attr store1 > 119.389722631 ) or 
       bondedto (attr store1 < 72.447  and attr store1 > 71.647 ) or 
       bondedto (attr store1 < 24.7042773688  and attr store1 > 23.9042773688 ))) 
6 0.1 0.1 peak 616 volume 61.69028 ppm1 1.052 ppm2 0.788
 
! ############### C13_CNnoesy_manual.617 folded +
assi (attr store1 < 8.711 and attr store1 > 8.611 )
     ((attr store1 < 0.803 and attr store1 > 0.743 ) and 
      (bondedto (attr store1 < 120.200722631  and attr store1 > 119.400722631 ) or 
       bondedto (attr store1 < 72.458  and attr store1 > 71.658 ) or 
       bondedto (attr store1 < 24.7152773688  and attr store1 > 23.9152773688 ))) 
6 0.1 0.1 peak 617 volume 8.07873 ppm1 0.773 ppm2 8.661
 
! ############### C13_CNnoesy_manual.618 folded +
assi (attr store1 < 8.468 and attr store1 > 8.368 )
     ((attr store1 < 0.803 and attr store1 > 0.743 ) and 
      (bondedto (attr store1 < 120.212722631  and attr store1 > 119.412722631 ) or 
       bondedto (attr store1 < 72.47  and attr store1 > 71.67 ) or 
       bondedto (attr store1 < 24.7272773688  and attr store1 > 23.9272773688 ))) 
6 0.1 0.1 peak 618 volume 16.89778 ppm1 0.773 ppm2 8.418
 
! ############### C13_CNnoesy_manual.619 folded +
assi (attr store1 < 7.829 and attr store1 > 7.729 )
     ((attr store1 < 0.803 and attr store1 > 0.743 ) and 
      (bondedto (attr store1 < 120.205722631  and attr store1 > 119.405722631 ) or 
       bondedto (attr store1 < 72.463  and attr store1 > 71.663 ) or 
       bondedto (attr store1 < 24.7202773688  and attr store1 > 23.9202773688 ))) 
6 0.1 0.1 peak 619 volume 10.22534 ppm1 0.773 ppm2 7.779
 
! ############### C13_CNnoesy_manual.620 folded +
assi (attr store1 < 7.734 and attr store1 > 7.634 )
     ((attr store1 < 0.803 and attr store1 > 0.743 ) and 
      (bondedto (attr store1 < 120.210722631  and attr store1 > 119.410722631 ) or 
       bondedto (attr store1 < 72.468  and attr store1 > 71.668 ) or 
       bondedto (attr store1 < 24.7252773688  and attr store1 > 23.9252773688 ))) 
6 0.1 0.1 peak 620 volume 8.39141 ppm1 0.773 ppm2 7.684
 
! ############### C13_CNnoesy_manual.621 folded +
assi (attr store1 < 7.486 and attr store1 > 7.386 )
     ((attr store1 < 0.804 and attr store1 > 0.744 ) and 
      (bondedto (attr store1 < 120.206722631  and attr store1 > 119.406722631 ) or 
       bondedto (attr store1 < 72.464  and attr store1 > 71.664 ) or 
       bondedto (attr store1 < 24.7212773688  and attr store1 > 23.9212773688 ))) 
6 0.1 0.1 peak 621 volume 10.52841 ppm1 0.774 ppm2 7.436
 
! ############### C13_CNnoesy_manual.622 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 0.799 and attr store1 > 0.739 ) and 
      (bondedto (attr store1 < 120.215722631  and attr store1 > 119.415722631 ) or 
       bondedto (attr store1 < 72.473  and attr store1 > 71.673 ) or 
       bondedto (attr store1 < 24.7302773688  and attr store1 > 23.9302773688 ))) 
6 0.1 0.1 peak 622 volume 10.30311 ppm1 0.769 ppm2 4.839
 
! ############### C13_CNnoesy_manual.623 folded +
assi (attr store1 < 4.131 and attr store1 > 4.031 )
     ((attr store1 < 0.803 and attr store1 > 0.743 ) and 
      (bondedto (attr store1 < 120.204722631  and attr store1 > 119.404722631 ) or 
       bondedto (attr store1 < 72.462  and attr store1 > 71.662 ) or 
       bondedto (attr store1 < 24.7192773688  and attr store1 > 23.9192773688 ))) 
6 0.1 0.1 peak 623 volume 108.62269 ppm1 0.773 ppm2 4.081
 
! ############### C13_CNnoesy_manual.624 folded +
assi (attr store1 < 3.866 and attr store1 > 3.766 )
     ((attr store1 < 0.804 and attr store1 > 0.744 ) and 
      (bondedto (attr store1 < 120.214722631  and attr store1 > 119.414722631 ) or 
       bondedto (attr store1 < 72.472  and attr store1 > 71.672 ) or 
       bondedto (attr store1 < 24.7292773688  and attr store1 > 23.9292773688 ))) 
6 0.1 0.1 peak 624 volume 9.49607 ppm1 0.774 ppm2 3.816
 
! ############### C13_CNnoesy_manual.625 folded +
assi (attr store1 < 3.045 and attr store1 > 2.945 )
     ((attr store1 < 0.804 and attr store1 > 0.744 ) and 
      (bondedto (attr store1 < 120.206722631  and attr store1 > 119.406722631 ) or 
       bondedto (attr store1 < 72.464  and attr store1 > 71.664 ) or 
       bondedto (attr store1 < 24.7212773688  and attr store1 > 23.9212773688 ))) 
6 0.1 0.1 peak 625 volume 27.01228 ppm1 0.774 ppm2 2.995
 
! ############### C13_CNnoesy_manual.626 folded +
assi (attr store1 < 2.474 and attr store1 > 2.374 )
     ((attr store1 < 0.804 and attr store1 > 0.744 ) and 
      (bondedto (attr store1 < 120.203722631  and attr store1 > 119.403722631 ) or 
       bondedto (attr store1 < 72.461  and attr store1 > 71.661 ) or 
       bondedto (attr store1 < 24.7182773688  and attr store1 > 23.9182773688 ))) 
6 0.1 0.1 peak 626 volume 13.28424 ppm1 0.774 ppm2 2.424
 
! ############### C13_CNnoesy_manual.627 folded +
assi (attr store1 < 2.046 and attr store1 > 1.946 )
     ((attr store1 < 0.803 and attr store1 > 0.743 ) and 
      (bondedto (attr store1 < 120.211722631  and attr store1 > 119.411722631 ) or 
       bondedto (attr store1 < 72.469  and attr store1 > 71.669 ) or 
       bondedto (attr store1 < 24.7262773688  and attr store1 > 23.9262773688 ))) 
6 0.1 0.1 peak 627 volume 42.73286 ppm1 0.773 ppm2 1.996
 
! ############### C13_CNnoesy_manual.628 folded +
assi (attr store1 < 1.851 and attr store1 > 1.751 )
     ((attr store1 < 0.803 and attr store1 > 0.743 ) and 
      (bondedto (attr store1 < 120.202722631  and attr store1 > 119.402722631 ) or 
       bondedto (attr store1 < 72.46  and attr store1 > 71.66 ) or 
       bondedto (attr store1 < 24.7172773688  and attr store1 > 23.9172773688 ))) 
6 0.1 0.1 peak 628 volume 94.07571 ppm1 0.773 ppm2 1.801
 
! ############### C13_CNnoesy_manual.629 folded +
assi (attr store1 < 1.603 and attr store1 > 1.503 )
     ((attr store1 < 0.802 and attr store1 > 0.742 ) and 
      (bondedto (attr store1 < 120.195722631  and attr store1 > 119.395722631 ) or 
       bondedto (attr store1 < 72.453  and attr store1 > 71.653 ) or 
       bondedto (attr store1 < 24.7102773688  and attr store1 > 23.9102773688 ))) 
6 0.1 0.1 peak 629 volume 22.97649 ppm1 0.772 ppm2 1.553
 
! ############### C13_CNnoesy_manual.630 folded +
assi (attr store1 < 1.325 and attr store1 > 1.225 )
     ((attr store1 < 0.802 and attr store1 > 0.742 ) and 
      (bondedto (attr store1 < 120.207722631  and attr store1 > 119.407722631 ) or 
       bondedto (attr store1 < 72.465  and attr store1 > 71.665 ) or 
       bondedto (attr store1 < 24.7222773688  and attr store1 > 23.9222773688 ))) 
6 0.1 0.1 peak 630 volume 63.48635 ppm1 0.772 ppm2 1.275
 
! ############### C13_CNnoesy_manual.631 folded +
assi (attr store1 < 0.823 and attr store1 > 0.723 )
     ((attr store1 < 0.803 and attr store1 > 0.743 ) and 
      (bondedto (attr store1 < 120.204722631  and attr store1 > 119.404722631 ) or 
       bondedto (attr store1 < 72.462  and attr store1 > 71.662 ) or 
       bondedto (attr store1 < 24.7192773688  and attr store1 > 23.9192773688 ))) 
6 0.1 0.1 peak 631 volume 3410.42749 ppm1 0.773 ppm2 0.773
 
! ############### C13_CNnoesy_manual.632 folded +
assi (attr store1 < 0.664 and attr store1 > 0.564 )
     ((attr store1 < 0.802 and attr store1 > 0.742 ) and 
      (bondedto (attr store1 < 120.209722631  and attr store1 > 119.409722631 ) or 
       bondedto (attr store1 < 72.467  and attr store1 > 71.667 ) or 
       bondedto (attr store1 < 24.7242773688  and attr store1 > 23.9242773688 ))) 
6 0.1 0.1 peak 632 volume 64.64740 ppm1 0.772 ppm2 0.614
 
! ############### C13_CNnoesy_manual.633 folded +
assi (attr store1 < 0.141 and attr store1 > 0.041 )
     ((attr store1 < 0.803 and attr store1 > 0.743 ) and 
      (bondedto (attr store1 < 120.201722631  and attr store1 > 119.401722631 ) or 
       bondedto (attr store1 < 72.459  and attr store1 > 71.659 ) or 
       bondedto (attr store1 < 24.7162773688  and attr store1 > 23.9162773688 ))) 
6 0.1 0.1 peak 633 volume 63.84485 ppm1 0.773 ppm2 0.091
 
! ############### C13_CNnoesy_manual.634 folded -
assi (attr store1 < 2.097 and attr store1 > 1.997 )
     ((attr store1 < 2.462 and attr store1 > 2.402 ) and 
      (bondedto (attr store1 < 144.070083947  and attr store1 > 143.270083947 ) or 
       bondedto (attr store1 < 48.5846386844  and attr store1 > 47.7846386844 ))) 
6 0.1 0.1 peak 634 volume 12.52579 ppm1 2.432 ppm2 2.047
 
! ############### C13_CNnoesy_manual.635 folded -
assi (attr store1 < 2.017 and attr store1 > 1.917 )
     ((attr store1 < 2.006 and attr store1 > 1.946 ) and 
      (bondedto (attr store1 < 144.109083947  and attr store1 > 143.309083947 ) or 
       bondedto (attr store1 < 48.6236386844  and attr store1 > 47.8236386844 ))) 
6 0.1 0.1 peak 635 volume 27.51483 ppm1 1.976 ppm2 1.967
 
! ############### C13_CNnoesy_manual.636 folded +
assi (attr store1 < 7.153 and attr store1 > 7.053 )
     ((attr store1 < 7.133 and attr store1 > 7.073 ) and 
      (bondedto (attr store1 < 120.124722631  and attr store1 > 119.324722631 ) or 
       bondedto (attr store1 < 72.382  and attr store1 > 71.582 ) or 
       bondedto (attr store1 < 24.6392773688  and attr store1 > 23.8392773688 ))) 
6 0.1 0.1 peak 636 volume 1333.54089 ppm1 7.103 ppm2 7.103
 
! ############### C13_CNnoesy_manual.637 folded +
assi (attr store1 < 3.278 and attr store1 > 3.178 )
     ((attr store1 < 7.133 and attr store1 > 7.073 ) and 
      (bondedto (attr store1 < 120.152722631  and attr store1 > 119.352722631 ) or 
       bondedto (attr store1 < 72.41  and attr store1 > 71.61 ) or 
       bondedto (attr store1 < 24.6672773688  and attr store1 > 23.8672773688 ))) 
6 0.1 0.1 peak 637 volume 13.42384 ppm1 7.103 ppm2 3.228
 
! ############### C13_CNnoesy_manual.638 folded +
assi (attr store1 < 9.263 and attr store1 > 9.163 )
     ((attr store1 < 1.431 and attr store1 > 1.371 ) and 
      (bondedto (attr store1 < 120.093722631  and attr store1 > 119.293722631 ) or 
       bondedto (attr store1 < 72.351  and attr store1 > 71.551 ) or 
       bondedto (attr store1 < 24.6082773688  and attr store1 > 23.8082773688 ))) 
6 0.1 0.1 peak 638 volume 65.34607 ppm1 1.401 ppm2 9.213
 
! ############### C13_CNnoesy_manual.639 folded +
assi (attr store1 < 8.718 and attr store1 > 8.618 )
     ((attr store1 < 1.431 and attr store1 > 1.371 ) and 
      (bondedto (attr store1 < 120.086722631  and attr store1 > 119.286722631 ) or 
       bondedto (attr store1 < 72.344  and attr store1 > 71.544 ) or 
       bondedto (attr store1 < 24.6012773688  and attr store1 > 23.8012773688 ))) 
6 0.1 0.1 peak 639 volume 30.61222 ppm1 1.401 ppm2 8.668
 
! ############### C13_CNnoesy_manual.640 folded +
assi (attr store1 < 8.465 and attr store1 > 8.365 )
     ((attr store1 < 1.43 and attr store1 > 1.37 ) and 
      (bondedto (attr store1 < 120.071722631  and attr store1 > 119.271722631 ) or 
       bondedto (attr store1 < 72.329  and attr store1 > 71.529 ) or 
       bondedto (attr store1 < 24.5862773688  and attr store1 > 23.7862773688 ))) 
6 0.1 0.1 peak 640 volume 10.10373 ppm1 1.400 ppm2 8.415
 
! ############### C13_CNnoesy_manual.641 folded +
assi (attr store1 < 8.221 and attr store1 > 8.121 )
     ((attr store1 < 1.429 and attr store1 > 1.369 ) and 
      (bondedto (attr store1 < 120.085722631  and attr store1 > 119.285722631 ) or 
       bondedto (attr store1 < 72.343  and attr store1 > 71.543 ) or 
       bondedto (attr store1 < 24.6002773688  and attr store1 > 23.8002773688 ))) 
6 0.1 0.1 peak 641 volume 6.82398 ppm1 1.399 ppm2 8.171
 
! ############### C13_CNnoesy_manual.642 folded +
assi (attr store1 < 8.02 and attr store1 > 7.92 )
     ((attr store1 < 1.431 and attr store1 > 1.371 ) and 
      (bondedto (attr store1 < 120.079722631  and attr store1 > 119.279722631 ) or 
       bondedto (attr store1 < 72.337  and attr store1 > 71.537 ) or 
       bondedto (attr store1 < 24.5942773688  and attr store1 > 23.7942773688 ))) 
6 0.1 0.1 peak 642 volume 13.43313 ppm1 1.401 ppm2 7.970
 
! ############### C13_CNnoesy_manual.643 folded +
assi (attr store1 < 7.367 and attr store1 > 7.267 )
     ((attr store1 < 1.432 and attr store1 > 1.372 ) and 
      (bondedto (attr store1 < 120.087722631  and attr store1 > 119.287722631 ) or 
       bondedto (attr store1 < 72.345  and attr store1 > 71.545 ) or 
       bondedto (attr store1 < 24.6022773688  and attr store1 > 23.8022773688 ))) 
6 0.1 0.1 peak 643 volume 10.90331 ppm1 1.402 ppm2 7.317
 
! ############### C13_CNnoesy_manual.644 folded +
assi (attr store1 < 6.562 and attr store1 > 6.462 )
     ((attr store1 < 1.431 and attr store1 > 1.371 ) and 
      (bondedto (attr store1 < 120.084722631  and attr store1 > 119.284722631 ) or 
       bondedto (attr store1 < 72.342  and attr store1 > 71.542 ) or 
       bondedto (attr store1 < 24.5992773688  and attr store1 > 23.7992773688 ))) 
6 0.1 0.1 peak 644 volume 27.82605 ppm1 1.401 ppm2 6.512
 
! ############### C13_CNnoesy_manual.645 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 1.429 and attr store1 > 1.369 ) and 
      (bondedto (attr store1 < 120.074722631  and attr store1 > 119.274722631 ) or 
       bondedto (attr store1 < 72.332  and attr store1 > 71.532 ) or 
       bondedto (attr store1 < 24.5892773688  and attr store1 > 23.7892773688 ))) 
6 0.1 0.1 peak 645 volume 28.39637 ppm1 1.399 ppm2 4.839
 
! ############### C13_CNnoesy_manual.646 folded +
assi (attr store1 < 4.475 and attr store1 > 4.375 )
     ((attr store1 < 1.431 and attr store1 > 1.371 ) and 
      (bondedto (attr store1 < 120.080722631  and attr store1 > 119.280722631 ) or 
       bondedto (attr store1 < 72.338  and attr store1 > 71.538 ) or 
       bondedto (attr store1 < 24.5952773688  and attr store1 > 23.7952773688 ))) 
6 0.1 0.1 peak 646 volume 80.65634 ppm1 1.401 ppm2 4.425
 
! ############### C13_CNnoesy_manual.647 folded +
assi (attr store1 < 4.249 and attr store1 > 4.149 )
     ((attr store1 < 1.431 and attr store1 > 1.371 ) and 
      (bondedto (attr store1 < 120.083722631  and attr store1 > 119.283722631 ) or 
       bondedto (attr store1 < 72.341  and attr store1 > 71.541 ) or 
       bondedto (attr store1 < 24.5982773688  and attr store1 > 23.7982773688 ))) 
6 0.1 0.1 peak 647 volume 20.03272 ppm1 1.401 ppm2 4.199
 
! ############### C13_CNnoesy_manual.648 folded +
assi (attr store1 < 3.852 and attr store1 > 3.752 )
     ((attr store1 < 1.431 and attr store1 > 1.371 ) and 
      (bondedto (attr store1 < 120.093722631  and attr store1 > 119.293722631 ) or 
       bondedto (attr store1 < 72.351  and attr store1 > 71.551 ) or 
       bondedto (attr store1 < 24.6082773688  and attr store1 > 23.8082773688 ))) 
6 0.1 0.1 peak 648 volume 71.85748 ppm1 1.401 ppm2 3.802
 
! ############### C13_CNnoesy_manual.649 folded +
assi (attr store1 < 3.524 and attr store1 > 3.424 )
     ((attr store1 < 1.431 and attr store1 > 1.371 ) and 
      (bondedto (attr store1 < 120.084722631  and attr store1 > 119.284722631 ) or 
       bondedto (attr store1 < 72.342  and attr store1 > 71.542 ) or 
       bondedto (attr store1 < 24.5992773688  and attr store1 > 23.7992773688 ))) 
6 0.1 0.1 peak 649 volume 48.24097 ppm1 1.401 ppm2 3.474
 
! ############### C13_CNnoesy_manual.650 folded +
assi (attr store1 < 3.036 and attr store1 > 2.936 )
     ((attr store1 < 1.43 and attr store1 > 1.37 ) and 
      (bondedto (attr store1 < 120.086722631  and attr store1 > 119.286722631 ) or 
       bondedto (attr store1 < 72.344  and attr store1 > 71.544 ) or 
       bondedto (attr store1 < 24.6012773688  and attr store1 > 23.8012773688 ))) 
6 0.1 0.1 peak 650 volume 29.41710 ppm1 1.400 ppm2 2.986
 
! ############### C13_CNnoesy_manual.651 folded +
assi (attr store1 < 2.471 and attr store1 > 2.371 )
     ((attr store1 < 1.43 and attr store1 > 1.37 ) and 
      (bondedto (attr store1 < 120.076722631  and attr store1 > 119.276722631 ) or 
       bondedto (attr store1 < 72.334  and attr store1 > 71.534 ) or 
       bondedto (attr store1 < 24.5912773688  and attr store1 > 23.7912773688 ))) 
6 0.1 0.1 peak 651 volume 22.84046 ppm1 1.400 ppm2 2.421
 
! ############### C13_CNnoesy_manual.652 folded +
assi (attr store1 < 2.057 and attr store1 > 1.957 )
     ((attr store1 < 1.43 and attr store1 > 1.37 ) and 
      (bondedto (attr store1 < 120.092722631  and attr store1 > 119.292722631 ) or 
       bondedto (attr store1 < 72.35  and attr store1 > 71.55 ) or 
       bondedto (attr store1 < 24.6072773688  and attr store1 > 23.8072773688 ))) 
6 0.1 0.1 peak 652 volume 92.06064 ppm1 1.400 ppm2 2.007
 
! ############### C13_CNnoesy_manual.653 folded +
assi (attr store1 < 1.858 and attr store1 > 1.758 )
     ((attr store1 < 1.43 and attr store1 > 1.37 ) and 
      (bondedto (attr store1 < 120.080722631  and attr store1 > 119.280722631 ) or 
       bondedto (attr store1 < 72.338  and attr store1 > 71.538 ) or 
       bondedto (attr store1 < 24.5952773688  and attr store1 > 23.7952773688 ))) 
6 0.1 0.1 peak 653 volume 65.20393 ppm1 1.400 ppm2 1.808
 
! ############### C13_CNnoesy_manual.654 folded +
assi (attr store1 < 1.451 and attr store1 > 1.351 )
     ((attr store1 < 1.431 and attr store1 > 1.371 ) and 
      (bondedto (attr store1 < 120.075722631  and attr store1 > 119.275722631 ) or 
       bondedto (attr store1 < 72.333  and attr store1 > 71.533 ) or 
       bondedto (attr store1 < 24.5902773688  and attr store1 > 23.7902773688 ))) 
6 0.1 0.1 peak 654 volume 2162.81836 ppm1 1.401 ppm2 1.401
 
! ############### C13_CNnoesy_manual.655 folded +
assi (attr store1 < 1.305 and attr store1 > 1.205 )
     ((attr store1 < 1.43 and attr store1 > 1.37 ) and 
      (bondedto (attr store1 < 120.080722631  and attr store1 > 119.280722631 ) or 
       bondedto (attr store1 < 72.338  and attr store1 > 71.538 ) or 
       bondedto (attr store1 < 24.5952773688  and attr store1 > 23.7952773688 ))) 
6 0.1 0.1 peak 655 volume 85.27280 ppm1 1.400 ppm2 1.255
 
! ############### C13_CNnoesy_manual.656 folded +
assi (attr store1 < 1.085 and attr store1 > 0.985 )
     ((attr store1 < 1.43 and attr store1 > 1.37 ) and 
      (bondedto (attr store1 < 120.072722631  and attr store1 > 119.272722631 ) or 
       bondedto (attr store1 < 72.33  and attr store1 > 71.53 ) or 
       bondedto (attr store1 < 24.5872773688  and attr store1 > 23.7872773688 ))) 
6 0.1 0.1 peak 656 volume 67.43335 ppm1 1.400 ppm2 1.035
 
! ############### C13_CNnoesy_manual.657 folded +
assi (attr store1 < 0.849 and attr store1 > 0.749 )
     ((attr store1 < 1.43 and attr store1 > 1.37 ) and 
      (bondedto (attr store1 < 120.084722631  and attr store1 > 119.284722631 ) or 
       bondedto (attr store1 < 72.342  and attr store1 > 71.542 ) or 
       bondedto (attr store1 < 24.5992773688  and attr store1 > 23.7992773688 ))) 
6 0.1 0.1 peak 657 volume 123.60558 ppm1 1.400 ppm2 0.799
 
! ############### C13_CNnoesy_manual.658 folded +
assi (attr store1 < 7.259 and attr store1 > 7.159 )
     ((attr store1 < 7.239 and attr store1 > 7.179 ) and 
      (bondedto (attr store1 < 120.023722631  and attr store1 > 119.223722631 ) or 
       bondedto (attr store1 < 72.281  and attr store1 > 71.481 ) or 
       bondedto (attr store1 < 24.5382773688  and attr store1 > 23.7382773688 ))) 
6 0.1 0.1 peak 658 volume 344.31927 ppm1 7.209 ppm2 7.209
 
! ############### C13_CNnoesy_manual.659 folded +
assi (attr store1 < 4.582 and attr store1 > 4.482 )
     ((attr store1 < 7.238 and attr store1 > 7.178 ) and 
      (bondedto (attr store1 < 120.031722631  and attr store1 > 119.231722631 ) or 
       bondedto (attr store1 < 72.289  and attr store1 > 71.489 ) or 
       bondedto (attr store1 < 24.5462773688  and attr store1 > 23.7462773688 ))) 
6 0.1 0.1 peak 659 volume 16.32764 ppm1 7.208 ppm2 4.532
 
! ############### C13_CNnoesy_manual.660 folded +
assi (attr store1 < 2.71 and attr store1 > 2.61 )
     ((attr store1 < 7.238 and attr store1 > 7.178 ) and 
      (bondedto (attr store1 < 120.051722631  and attr store1 > 119.251722631 ) or 
       bondedto (attr store1 < 72.309  and attr store1 > 71.509 ) or 
       bondedto (attr store1 < 24.5662773688  and attr store1 > 23.7662773688 ))) 
6 0.1 0.1 peak 660 volume 14.39802 ppm1 7.208 ppm2 2.660
 
! ############### C13_CNnoesy_manual.661 folded +
assi (attr store1 < 4.89 and attr store1 > 4.79 )
     ((attr store1 < 7.239 and attr store1 > 7.179 ) and 
      (bondedto (attr store1 < 119.959722631  and attr store1 > 119.159722631 ) or 
       bondedto (attr store1 < 72.217  and attr store1 > 71.417 ) or 
       bondedto (attr store1 < 24.4742773688  and attr store1 > 23.6742773688 ))) 
6 0.1 0.1 peak 661 volume 41.77888 ppm1 7.209 ppm2 4.840
 
! ############### C13_CNnoesy_manual.662 folded +
assi (attr store1 < 3.082 and attr store1 > 2.982 )
     ((attr store1 < 7.237 and attr store1 > 7.177 ) and 
      (bondedto (attr store1 < 119.913722631  and attr store1 > 119.113722631 ) or 
       bondedto (attr store1 < 72.171  and attr store1 > 71.371 ) or 
       bondedto (attr store1 < 24.4282773688  and attr store1 > 23.6282773688 ))) 
6 0.1 0.1 peak 662 volume 10.42847 ppm1 7.207 ppm2 3.032
 
! ############### C13_CNnoesy_manual.663 folded +
assi (attr store1 < 3.101 and attr store1 > 3.001 )
     ((attr store1 < 1.841 and attr store1 > 1.781 ) and 
      (bondedto (attr store1 < 119.800722631  and attr store1 > 119.000722631 ) or 
       bondedto (attr store1 < 72.058  and attr store1 > 71.258 ) or 
       bondedto (attr store1 < 24.3152773688  and attr store1 > 23.5152773688 ))) 
6 0.1 0.1 peak 663 volume 7.36616 ppm1 1.811 ppm2 3.051
 
! ############### C13_CNnoesy_manual.664 folded -
assi (attr store1 < 2.565 and attr store1 > 2.465 )
     ((attr store1 < 2.546 and attr store1 > 2.486 ) and 
      (bondedto (attr store1 < 143.690083947  and attr store1 > 142.890083947 ) or 
       bondedto (attr store1 < 48.2046386844  and attr store1 > 47.4046386844 ))) 
6 0.1 0.1 peak 664 volume 34.28764 ppm1 2.516 ppm2 2.515
 
! ############### C13_CNnoesy_manual.665 folded -
assi (attr store1 < 2.331 and attr store1 > 2.231 )
     ((attr store1 < 2.307 and attr store1 > 2.247 ) and 
      (bondedto (attr store1 < 143.703083947  and attr store1 > 142.903083947 ) or 
       bondedto (attr store1 < 48.2176386844  and attr store1 > 47.4176386844 ))) 
6 0.1 0.1 peak 665 volume 19.08246 ppm1 2.277 ppm2 2.281
 
! ############### C13_CNnoesy_manual.666 folded +
assi (attr store1 < 1.878 and attr store1 > 1.778 )
     ((attr store1 < 2.204 and attr store1 > 2.144 ) and 
      (bondedto (attr store1 < 119.751722631  and attr store1 > 118.951722631 ) or 
       bondedto (attr store1 < 72.009  and attr store1 > 71.209 ) or 
       bondedto (attr store1 < 24.2662773688  and attr store1 > 23.4662773688 ))) 
6 0.1 0.1 peak 666 volume 7.07149 ppm1 2.174 ppm2 1.828
 
! ############### C13_CNnoesy_manual.667 folded +
assi (attr store1 < 1.633 and attr store1 > 1.533 )
     ((attr store1 < 2.201 and attr store1 > 2.141 ) and 
      (bondedto (attr store1 < 119.736722631  and attr store1 > 118.936722631 ) or 
       bondedto (attr store1 < 71.994  and attr store1 > 71.194 ) or 
       bondedto (attr store1 < 24.2512773688  and attr store1 > 23.4512773688 ))) 
6 0.1 0.1 peak 667 volume 8.51211 ppm1 2.171 ppm2 1.583
 
! ############### C13_CNnoesy_manual.668 folded +
assi (attr store1 < 4.378 and attr store1 > 4.278 )
     ((attr store1 < 1.835 and attr store1 > 1.775 ) and 
      (bondedto (attr store1 < 119.778722631  and attr store1 > 118.978722631 ) or 
       bondedto (attr store1 < 72.036  and attr store1 > 71.236 ) or 
       bondedto (attr store1 < 24.2932773688  and attr store1 > 23.4932773688 ))) 
6 0.1 0.1 peak 668 volume 9.27353 ppm1 1.805 ppm2 4.328
 
! ############### C13_CNnoesy_manual.669 folded +
assi (attr store1 < 2.225 and attr store1 > 2.125 )
     ((attr store1 < 1.834 and attr store1 > 1.774 ) and 
      (bondedto (attr store1 < 119.735722631  and attr store1 > 118.935722631 ) or 
       bondedto (attr store1 < 71.993  and attr store1 > 71.193 ) or 
       bondedto (attr store1 < 24.2502773688  and attr store1 > 23.4502773688 ))) 
6 0.1 0.1 peak 669 volume 46.13137 ppm1 1.804 ppm2 2.175
 
! ############### C13_CNnoesy_manual.670 folded +
assi (attr store1 < 1.622 and attr store1 > 1.522 )
     ((attr store1 < 1.826 and attr store1 > 1.766 ) and 
      (bondedto (attr store1 < 119.743722631  and attr store1 > 118.943722631 ) or 
       bondedto (attr store1 < 72.001  and attr store1 > 71.201 ) or 
       bondedto (attr store1 < 24.2582773688  and attr store1 > 23.4582773688 ))) 
6 0.1 0.1 peak 670 volume 115.90742 ppm1 1.796 ppm2 1.572
 
! ############### C13_CNnoesy_manual.671 folded +
assi (attr store1 < 4.381 and attr store1 > 4.281 )
     ((attr store1 < 1.614 and attr store1 > 1.554 ) and 
      (bondedto (attr store1 < 119.753722631  and attr store1 > 118.953722631 ) or 
       bondedto (attr store1 < 72.011  and attr store1 > 71.211 ) or 
       bondedto (attr store1 < 24.2682773688  and attr store1 > 23.4682773688 ))) 
6 0.1 0.1 peak 671 volume 9.28786 ppm1 1.584 ppm2 4.331
 
! ############### C13_CNnoesy_manual.672 folded +
assi (attr store1 < 3.094 and attr store1 > 2.994 )
     ((attr store1 < 1.608 and attr store1 > 1.548 ) and 
      (bondedto (attr store1 < 119.760722631  and attr store1 > 118.960722631 ) or 
       bondedto (attr store1 < 72.018  and attr store1 > 71.218 ) or 
       bondedto (attr store1 < 24.2752773688  and attr store1 > 23.4752773688 ))) 
6 0.1 0.1 peak 672 volume 9.05605 ppm1 1.578 ppm2 3.044
 
! ############### C13_CNnoesy_manual.673 folded +
assi (attr store1 < 2.224 and attr store1 > 2.124 )
     ((attr store1 < 1.608 and attr store1 > 1.548 ) and 
      (bondedto (attr store1 < 119.727722631  and attr store1 > 118.927722631 ) or 
       bondedto (attr store1 < 71.985  and attr store1 > 71.185 ) or 
       bondedto (attr store1 < 24.2422773688  and attr store1 > 23.4422773688 ))) 
6 0.1 0.1 peak 673 volume 47.34542 ppm1 1.578 ppm2 2.174
 
! ############### C13_CNnoesy_manual.674 folded +
assi (attr store1 < 1.869 and attr store1 > 1.769 )
     ((attr store1 < 1.607 and attr store1 > 1.547 ) and 
      (bondedto (attr store1 < 119.721722631  and attr store1 > 118.921722631 ) or 
       bondedto (attr store1 < 71.979  and attr store1 > 71.179 ) or 
       bondedto (attr store1 < 24.2362773688  and attr store1 > 23.4362773688 ))) 
6 0.1 0.1 peak 674 volume 148.39154 ppm1 1.577 ppm2 1.819
 
! ############### C13_CNnoesy_manual.675 folded +
assi (attr store1 < 4.48 and attr store1 > 4.38 )
     ((attr store1 < 0.981 and attr store1 > 0.921 ) and 
      (bondedto (attr store1 < 119.739722631  and attr store1 > 118.939722631 ) or 
       bondedto (attr store1 < 71.997  and attr store1 > 71.197 ) or 
       bondedto (attr store1 < 24.2542773688  and attr store1 > 23.4542773688 ))) 
6 0.1 0.1 peak 675 volume 72.79810 ppm1 0.951 ppm2 4.430
 
! ############### C13_CNnoesy_manual.676 folded +
assi (attr store1 < 3.232 and attr store1 > 3.132 )
     ((attr store1 < 0.983 and attr store1 > 0.923 ) and 
      (bondedto (attr store1 < 119.734722631  and attr store1 > 118.934722631 ) or 
       bondedto (attr store1 < 71.992  and attr store1 > 71.192 ) or 
       bondedto (attr store1 < 24.2492773688  and attr store1 > 23.4492773688 ))) 
6 0.1 0.1 peak 676 volume 7.94593 ppm1 0.953 ppm2 3.182
 
! ############### C13_CNnoesy_manual.677 folded +
assi (attr store1 < 2.391 and attr store1 > 2.291 )
     ((attr store1 < 0.984 and attr store1 > 0.924 ) and 
      (bondedto (attr store1 < 119.721722631  and attr store1 > 118.921722631 ) or 
       bondedto (attr store1 < 71.979  and attr store1 > 71.179 ) or 
       bondedto (attr store1 < 24.2362773688  and attr store1 > 23.4362773688 ))) 
6 0.1 0.1 peak 677 volume 9.15820 ppm1 0.954 ppm2 2.341
 
! ############### C13_CNnoesy_manual.678 folded +
assi (attr store1 < 2.236 and attr store1 > 2.136 )
     ((attr store1 < 0.98 and attr store1 > 0.92 ) and 
      (bondedto (attr store1 < 119.747722631  and attr store1 > 118.947722631 ) or 
       bondedto (attr store1 < 72.005  and attr store1 > 71.205 ) or 
       bondedto (attr store1 < 24.2622773688  and attr store1 > 23.4622773688 ))) 
6 0.1 0.1 peak 678 volume 12.12927 ppm1 0.950 ppm2 2.186
 
! ############### C13_CNnoesy_manual.679 folded +
assi (attr store1 < 1.002 and attr store1 > 0.902 )
     ((attr store1 < 0.98 and attr store1 > 0.92 ) and 
      (bondedto (attr store1 < 119.711722631  and attr store1 > 118.911722631 ) or 
       bondedto (attr store1 < 71.969  and attr store1 > 71.169 ) or 
       bondedto (attr store1 < 24.2262773688  and attr store1 > 23.4262773688 ))) 
6 0.1 0.1 peak 679 volume 9684.95215 ppm1 0.950 ppm2 0.952
 
! ############### C13_CNnoesy_manual.680 folded +
assi (attr store1 < 1.959 and attr store1 > 1.859 )
     ((attr store1 < 0.973 and attr store1 > 0.913 ) and 
      (bondedto (attr store1 < 119.702722631  and attr store1 > 118.902722631 ) or 
       bondedto (attr store1 < 71.96  and attr store1 > 71.16 ) or 
       bondedto (attr store1 < 24.2172773688  and attr store1 > 23.4172773688 ))) 
6 0.1 0.1 peak 680 volume 19.30049 ppm1 0.943 ppm2 1.909
 
! ############### C13_CNnoesy_manual.681 folded +
assi (attr store1 < 1.704 and attr store1 > 1.604 )
     ((attr store1 < 0.975 and attr store1 > 0.915 ) and 
      (bondedto (attr store1 < 119.722722631  and attr store1 > 118.922722631 ) or 
       bondedto (attr store1 < 71.98  and attr store1 > 71.18 ) or 
       bondedto (attr store1 < 24.2372773688  and attr store1 > 23.4372773688 ))) 
6 0.1 0.1 peak 681 volume 80.31528 ppm1 0.945 ppm2 1.654
 
! ############### C13_CNnoesy_manual.682 folded -
assi (attr store1 < 1.721 and attr store1 > 1.621 )
     ((attr store1 < 1.707 and attr store1 > 1.647 ) and 
      (bondedto (attr store1 < 143.639083947  and attr store1 > 142.839083947 ) or 
       bondedto (attr store1 < 48.1536386844  and attr store1 > 47.3536386844 ))) 
6 0.1 0.1 peak 682 volume 99.87425 ppm1 1.677 ppm2 1.671
 
! ############### C13_CNnoesy_manual.683 folded -
assi (attr store1 < 1.156 and attr store1 > 1.056 )
     ((attr store1 < 1.139 and attr store1 > 1.079 ) and 
      (bondedto (attr store1 < 143.618083947  and attr store1 > 142.818083947 ) or 
       bondedto (attr store1 < 48.1326386844  and attr store1 > 47.3326386844 ))) 
6 0.1 0.1 peak 683 volume 105.08723 ppm1 1.109 ppm2 1.106
 
! ############### C13_CNnoesy_manual.684 folded +
assi (attr store1 < 2.09 and attr store1 > 1.99 )
     ((attr store1 < 2.476 and attr store1 > 2.416 ) and 
      (bondedto (attr store1 < 119.628722631  and attr store1 > 118.828722631 ) or 
       bondedto (attr store1 < 71.886  and attr store1 > 71.086 ) or 
       bondedto (attr store1 < 24.1432773688  and attr store1 > 23.3432773688 ))) 
6 0.1 0.1 peak 684 volume 8.35500 ppm1 2.446 ppm2 2.040
 
! ############### C13_CNnoesy_manual.685 folded +
assi (attr store1 < 2.491 and attr store1 > 2.391 )
     ((attr store1 < 2.071 and attr store1 > 2.011 ) and 
      (bondedto (attr store1 < 119.643722631  and attr store1 > 118.843722631 ) or 
       bondedto (attr store1 < 71.901  and attr store1 > 71.101 ) or 
       bondedto (attr store1 < 24.1582773688  and attr store1 > 23.3582773688 ))) 
6 0.1 0.1 peak 685 volume 8.27480 ppm1 2.041 ppm2 2.441
 
! ############### C13_CNnoesy_manual.686 folded +
assi (attr store1 < 1.875 and attr store1 > 1.775 )
     ((attr store1 < 1.845 and attr store1 > 1.785 ) and 
      (bondedto (attr store1 < 119.690722631  and attr store1 > 118.890722631 ) or 
       bondedto (attr store1 < 71.948  and attr store1 > 71.148 ) or 
       bondedto (attr store1 < 24.2052773688  and attr store1 > 23.4052773688 ))) 
6 0.1 0.1 peak 686 volume 184.72424 ppm1 1.815 ppm2 1.825
 
! ############### C13_CNnoesy_manual.687 folded +
assi (attr store1 < 7.72 and attr store1 > 7.62 )
     ((attr store1 < 1.833 and attr store1 > 1.773 ) and 
      (bondedto (attr store1 < 119.686722631  and attr store1 > 118.886722631 ) or 
       bondedto (attr store1 < 71.944  and attr store1 > 71.144 ) or 
       bondedto (attr store1 < 24.2012773688  and attr store1 > 23.4012773688 ))) 
6 0.1 0.1 peak 687 volume 7.75158 ppm1 1.803 ppm2 7.670
 
! ############### C13_CNnoesy_manual.688 folded +
assi (attr store1 < 7.723 and attr store1 > 7.623 )
     ((attr store1 < 1.604 and attr store1 > 1.544 ) and 
      (bondedto (attr store1 < 119.678722631  and attr store1 > 118.878722631 ) or 
       bondedto (attr store1 < 71.936  and attr store1 > 71.136 ) or 
       bondedto (attr store1 < 24.1932773688  and attr store1 > 23.3932773688 ))) 
6 0.1 0.1 peak 688 volume 6.53991 ppm1 1.574 ppm2 7.673
 
! ############### C13_CNnoesy_manual.689 folded +
assi (attr store1 < 1.288 and attr store1 > 1.188 )
     ((attr store1 < 1.271 and attr store1 > 1.211 ) and 
      (bondedto (attr store1 < 119.668722631  and attr store1 > 118.868722631 ) or 
       bondedto (attr store1 < 71.926  and attr store1 > 71.126 ) or 
       bondedto (attr store1 < 24.1832773688  and attr store1 > 23.3832773688 ))) 
6 0.1 0.1 peak 689 volume 194.32202 ppm1 1.241 ppm2 1.238
 
! ############### C13_CNnoesy_manual.690 folded +
assi (attr store1 < 0.964 and attr store1 > 0.864 )
     ((attr store1 < 0.942 and attr store1 > 0.882 ) and 
      (bondedto (attr store1 < 119.627722631  and attr store1 > 118.827722631 ) or 
       bondedto (attr store1 < 71.885  and attr store1 > 71.085 ) or 
       bondedto (attr store1 < 24.1422773688  and attr store1 > 23.3422773688 ))) 
6 0.1 0.1 peak 690 volume 10776.78223 ppm1 0.912 ppm2 0.914
 
! ############### C13_CNnoesy_manual.691 folded -
assi (attr store1 < 2.189 and attr store1 > 2.089 )
     ((attr store1 < 2.167 and attr store1 > 2.107 ) and 
      (bondedto (attr store1 < 143.498083947  and attr store1 > 142.698083947 ) or 
       bondedto (attr store1 < 48.0126386844  and attr store1 > 47.2126386844 ))) 
6 0.1 0.1 peak 691 volume 39.64755 ppm1 2.137 ppm2 2.139
 
! ############### C13_CNnoesy_manual.692 folded +
assi (attr store1 < 8.155 and attr store1 > 8.055 )
     ((attr store1 < 6.887 and attr store1 > 6.827 ) and 
      (bondedto (attr store1 < 119.563722631  and attr store1 > 118.763722631 ) or 
       bondedto (attr store1 < 71.821  and attr store1 > 71.021 ) or 
       bondedto (attr store1 < 24.0782773688  and attr store1 > 23.2782773688 ))) 
6 0.1 0.1 peak 692 volume 14.27833 ppm1 6.857 ppm2 8.105
 
! ############### C13_CNnoesy_manual.693 folded +
assi (attr store1 < 6.908 and attr store1 > 6.808 )
     ((attr store1 < 6.888 and attr store1 > 6.828 ) and 
      (bondedto (attr store1 < 119.545722631  and attr store1 > 118.745722631 ) or 
       bondedto (attr store1 < 71.803  and attr store1 > 71.003 ) or 
       bondedto (attr store1 < 24.0602773688  and attr store1 > 23.2602773688 ))) 
6 0.1 0.1 peak 693 volume 1345.76550 ppm1 6.858 ppm2 6.858
 
! ############### C13_CNnoesy_manual.694 folded +
assi (attr store1 < 4.89 and attr store1 > 4.79 )
     ((attr store1 < 6.887 and attr store1 > 6.827 ) and 
      (bondedto (attr store1 < 119.551722631  and attr store1 > 118.751722631 ) or 
       bondedto (attr store1 < 71.809  and attr store1 > 71.009 ) or 
       bondedto (attr store1 < 24.0662773688  and attr store1 > 23.2662773688 ))) 
6 0.1 0.1 peak 694 volume 38.40551 ppm1 6.857 ppm2 4.840
 
! ############### C13_CNnoesy_manual.695 folded +
assi (attr store1 < 4.139 and attr store1 > 4.039 )
     ((attr store1 < 6.888 and attr store1 > 6.828 ) and 
      (bondedto (attr store1 < 119.519722631  and attr store1 > 118.719722631 ) or 
       bondedto (attr store1 < 71.777  and attr store1 > 70.977 ) or 
       bondedto (attr store1 < 24.0342773688  and attr store1 > 23.2342773688 ))) 
6 0.1 0.1 peak 695 volume 27.33865 ppm1 6.858 ppm2 4.089
 
! ############### C13_CNnoesy_manual.696 folded +
assi (attr store1 < 3.096 and attr store1 > 2.996 )
     ((attr store1 < 6.888 and attr store1 > 6.828 ) and 
      (bondedto (attr store1 < 119.516722631  and attr store1 > 118.716722631 ) or 
       bondedto (attr store1 < 71.774  and attr store1 > 70.974 ) or 
       bondedto (attr store1 < 24.0312773688  and attr store1 > 23.2312773688 ))) 
6 0.1 0.1 peak 696 volume 7.14972 ppm1 6.858 ppm2 3.046
 
! ############### C13_CNnoesy_manual.697 folded +
assi (attr store1 < 2.833 and attr store1 > 2.733 )
     ((attr store1 < 6.888 and attr store1 > 6.828 ) and 
      (bondedto (attr store1 < 119.530722631  and attr store1 > 118.730722631 ) or 
       bondedto (attr store1 < 71.788  and attr store1 > 70.988 ) or 
       bondedto (attr store1 < 24.0452773688  and attr store1 > 23.2452773688 ))) 
6 0.1 0.1 peak 697 volume 25.78050 ppm1 6.858 ppm2 2.783
 
! ############### C13_CNnoesy_manual.698 folded +
assi (attr store1 < 2.502 and attr store1 > 2.402 )
     ((attr store1 < 6.886 and attr store1 > 6.826 ) and 
      (bondedto (attr store1 < 119.521722631  and attr store1 > 118.721722631 ) or 
       bondedto (attr store1 < 71.779  and attr store1 > 70.979 ) or 
       bondedto (attr store1 < 24.0362773688  and attr store1 > 23.2362773688 ))) 
6 0.1 0.1 peak 698 volume 7.51102 ppm1 6.856 ppm2 2.452
 
! ############### C13_CNnoesy_manual.699 folded +
assi (attr store1 < 2.027 and attr store1 > 1.927 )
     ((attr store1 < 6.886 and attr store1 > 6.826 ) and 
      (bondedto (attr store1 < 119.554722631  and attr store1 > 118.754722631 ) or 
       bondedto (attr store1 < 71.812  and attr store1 > 71.012 ) or 
       bondedto (attr store1 < 24.0692773688  and attr store1 > 23.2692773688 ))) 
6 0.1 0.1 peak 699 volume 6.97213 ppm1 6.856 ppm2 1.977
 
! ############### C13_CNnoesy_manual.700 folded +
assi (attr store1 < 1.416 and attr store1 > 1.316 )
     ((attr store1 < 6.887 and attr store1 > 6.827 ) and 
      (bondedto (attr store1 < 119.554722631  and attr store1 > 118.754722631 ) or 
       bondedto (attr store1 < 71.812  and attr store1 > 71.012 ) or 
       bondedto (attr store1 < 24.0692773688  and attr store1 > 23.2692773688 ))) 
6 0.1 0.1 peak 700 volume 44.86909 ppm1 6.857 ppm2 1.366
 
! ############### C13_CNnoesy_manual.701 folded +
assi (attr store1 < 0.795 and attr store1 > 0.695 )
     ((attr store1 < 0.931 and attr store1 > 0.871 ) and 
      (bondedto (attr store1 < 119.574722631  and attr store1 > 118.774722631 ) or 
       bondedto (attr store1 < 71.832  and attr store1 > 71.032 ) or 
       bondedto (attr store1 < 24.0892773688  and attr store1 > 23.2892773688 ))) 
6 0.1 0.1 peak 701 volume 205.23470 ppm1 0.901 ppm2 0.745
 
! ############### C13_CNnoesy_manual.702 folded +
assi (attr store1 < 9.629 and attr store1 > 9.529 )
     ((attr store1 < 0.924 and attr store1 > 0.864 ) and 
      (bondedto (attr store1 < 119.538722631  and attr store1 > 118.738722631 ) or 
       bondedto (attr store1 < 71.796  and attr store1 > 70.996 ) or 
       bondedto (attr store1 < 24.0532773688  and attr store1 > 23.2532773688 ))) 
6 0.1 0.1 peak 702 volume 47.61663 ppm1 0.894 ppm2 9.579
 
! ############### C13_CNnoesy_manual.703 folded +
assi (attr store1 < 9.296 and attr store1 > 9.196 )
     ((attr store1 < 0.922 and attr store1 > 0.862 ) and 
      (bondedto (attr store1 < 119.547722631  and attr store1 > 118.747722631 ) or 
       bondedto (attr store1 < 71.805  and attr store1 > 71.005 ) or 
       bondedto (attr store1 < 24.0622773688  and attr store1 > 23.2622773688 ))) 
6 0.1 0.1 peak 703 volume 12.55586 ppm1 0.892 ppm2 9.246
 
! ############### C13_CNnoesy_manual.704 folded +
assi (attr store1 < 8.212 and attr store1 > 8.112 )
     ((attr store1 < 0.922 and attr store1 > 0.862 ) and 
      (bondedto (attr store1 < 119.513722631  and attr store1 > 118.713722631 ) or 
       bondedto (attr store1 < 71.771  and attr store1 > 70.971 ) or 
       bondedto (attr store1 < 24.0282773688  and attr store1 > 23.2282773688 ))) 
6 0.1 0.1 peak 704 volume 8.29960 ppm1 0.892 ppm2 8.162
 
! ############### C13_CNnoesy_manual.705 folded +
assi (attr store1 < 7.728 and attr store1 > 7.628 )
     ((attr store1 < 0.924 and attr store1 > 0.864 ) and 
      (bondedto (attr store1 < 119.534722631  and attr store1 > 118.734722631 ) or 
       bondedto (attr store1 < 71.792  and attr store1 > 70.992 ) or 
       bondedto (attr store1 < 24.0492773688  and attr store1 > 23.2492773688 ))) 
6 0.1 0.1 peak 705 volume 40.76429 ppm1 0.894 ppm2 7.678
 
! ############### C13_CNnoesy_manual.706 folded +
assi (attr store1 < 7.468 and attr store1 > 7.368 )
     ((attr store1 < 0.923 and attr store1 > 0.863 ) and 
      (bondedto (attr store1 < 119.535722631  and attr store1 > 118.735722631 ) or 
       bondedto (attr store1 < 71.793  and attr store1 > 70.993 ) or 
       bondedto (attr store1 < 24.0502773688  and attr store1 > 23.2502773688 ))) 
6 0.1 0.1 peak 706 volume 29.61684 ppm1 0.893 ppm2 7.418
 
! ############### C13_CNnoesy_manual.707 folded +
assi (attr store1 < 7.373 and attr store1 > 7.273 )
     ((attr store1 < 0.924 and attr store1 > 0.864 ) and 
      (bondedto (attr store1 < 119.523722631  and attr store1 > 118.723722631 ) or 
       bondedto (attr store1 < 71.781  and attr store1 > 70.981 ) or 
       bondedto (attr store1 < 24.0382773688  and attr store1 > 23.2382773688 ))) 
6 0.1 0.1 peak 707 volume 30.95081 ppm1 0.894 ppm2 7.323
 
! ############### C13_CNnoesy_manual.708 folded +
assi (attr store1 < 4.695 and attr store1 > 4.595 )
     ((attr store1 < 0.924 and attr store1 > 0.864 ) and 
      (bondedto (attr store1 < 119.568722631  and attr store1 > 118.768722631 ) or 
       bondedto (attr store1 < 71.826  and attr store1 > 71.026 ) or 
       bondedto (attr store1 < 24.0832773688  and attr store1 > 23.2832773688 ))) 
6 0.1 0.1 peak 708 volume 14.89401 ppm1 0.894 ppm2 4.645
 
! ############### C13_CNnoesy_manual.709 folded +
assi (attr store1 < 4.241 and attr store1 > 4.141 )
     ((attr store1 < 0.924 and attr store1 > 0.864 ) and 
      (bondedto (attr store1 < 119.537722631  and attr store1 > 118.737722631 ) or 
       bondedto (attr store1 < 71.795  and attr store1 > 70.995 ) or 
       bondedto (attr store1 < 24.0522773688  and attr store1 > 23.2522773688 ))) 
6 0.1 0.1 peak 709 volume 70.15011 ppm1 0.894 ppm2 4.191
 
! ############### C13_CNnoesy_manual.710 folded +
assi (attr store1 < 3.871 and attr store1 > 3.771 )
     ((attr store1 < 0.923 and attr store1 > 0.863 ) and 
      (bondedto (attr store1 < 119.545722631  and attr store1 > 118.745722631 ) or 
       bondedto (attr store1 < 71.803  and attr store1 > 71.003 ) or 
       bondedto (attr store1 < 24.0602773688  and attr store1 > 23.2602773688 ))) 
6 0.1 0.1 peak 710 volume 22.15362 ppm1 0.893 ppm2 3.821
 
! ############### C13_CNnoesy_manual.711 folded +
assi (attr store1 < 3.067 and attr store1 > 2.967 )
     ((attr store1 < 0.926 and attr store1 > 0.866 ) and 
      (bondedto (attr store1 < 119.562722631  and attr store1 > 118.762722631 ) or 
       bondedto (attr store1 < 71.82  and attr store1 > 71.02 ) or 
       bondedto (attr store1 < 24.0772773688  and attr store1 > 23.2772773688 ))) 
6 0.1 0.1 peak 711 volume 9.71133 ppm1 0.896 ppm2 3.017
 
! ############### C13_CNnoesy_manual.712 folded +
assi (attr store1 < 2.453 and attr store1 > 2.353 )
     ((attr store1 < 0.924 and attr store1 > 0.864 ) and 
      (bondedto (attr store1 < 119.546722631  and attr store1 > 118.746722631 ) or 
       bondedto (attr store1 < 71.804  and attr store1 > 71.004 ) or 
       bondedto (attr store1 < 24.0612773688  and attr store1 > 23.2612773688 ))) 
6 0.1 0.1 peak 712 volume 6.87811 ppm1 0.894 ppm2 2.403
 
! ############### C13_CNnoesy_manual.713 folded +
assi (attr store1 < 2.294 and attr store1 > 2.194 )
     ((attr store1 < 0.924 and attr store1 > 0.864 ) and 
      (bondedto (attr store1 < 119.531722631  and attr store1 > 118.731722631 ) or 
       bondedto (attr store1 < 71.789  and attr store1 > 70.989 ) or 
       bondedto (attr store1 < 24.0462773688  and attr store1 > 23.2462773688 ))) 
6 0.1 0.1 peak 713 volume 19.01352 ppm1 0.894 ppm2 2.244
 
! ############### C13_CNnoesy_manual.714 folded +
assi (attr store1 < 1.938 and attr store1 > 1.838 )
     ((attr store1 < 0.924 and attr store1 > 0.864 ) and 
      (bondedto (attr store1 < 119.538722631  and attr store1 > 118.738722631 ) or 
       bondedto (attr store1 < 71.796  and attr store1 > 70.996 ) or 
       bondedto (attr store1 < 24.0532773688  and attr store1 > 23.2532773688 ))) 
6 0.1 0.1 peak 714 volume 99.05761 ppm1 0.894 ppm2 1.888
 
! ############### C13_CNnoesy_manual.715 folded +
assi (attr store1 < 0.14 and attr store1 > 0.04 )
     ((attr store1 < 0.924 and attr store1 > 0.864 ) and 
      (bondedto (attr store1 < 119.558722631  and attr store1 > 118.758722631 ) or 
       bondedto (attr store1 < 71.816  and attr store1 > 71.016 ) or 
       bondedto (attr store1 < 24.0732773688  and attr store1 > 23.2732773688 ))) 
6 0.1 0.1 peak 715 volume 88.60828 ppm1 0.894 ppm2 0.090
 
! ############### C13_CNnoesy_manual.716 folded +
assi (attr store1 < 2.619 and attr store1 > 2.519 )
     ((attr store1 < 6.89 and attr store1 > 6.83 ) and 
      (bondedto (attr store1 < 119.494722631  and attr store1 > 118.694722631 ) or 
       bondedto (attr store1 < 71.752  and attr store1 > 70.952 ) or 
       bondedto (attr store1 < 24.0092773688  and attr store1 > 23.2092773688 ))) 
6 0.1 0.1 peak 716 volume 5.57416 ppm1 6.860 ppm2 2.569
 
! ############### C13_CNnoesy_manual.717 folded +
assi (attr store1 < 2.361 and attr store1 > 2.261 )
     ((attr store1 < 6.887 and attr store1 > 6.827 ) and 
      (bondedto (attr store1 < 119.505722631  and attr store1 > 118.705722631 ) or 
       bondedto (attr store1 < 71.763  and attr store1 > 70.963 ) or 
       bondedto (attr store1 < 24.0202773688  and attr store1 > 23.2202773688 ))) 
6 0.1 0.1 peak 717 volume 17.72918 ppm1 6.857 ppm2 2.311
 
! ############### C13_CNnoesy_manual.718 folded +
assi (attr store1 < 3.517 and attr store1 > 3.417 )
     ((attr store1 < 3.496 and attr store1 > 3.436 ) and 
      (bondedto (attr store1 < 119.369722631  and attr store1 > 118.569722631 ) or 
       bondedto (attr store1 < 71.627  and attr store1 > 70.827 ) or 
       bondedto (attr store1 < 23.8842773688  and attr store1 > 23.0842773688 ))) 
6 0.1 0.1 peak 718 volume 10.26824 ppm1 3.466 ppm2 3.467
 
! ############### C13_CNnoesy_manual.719 folded +
assi (attr store1 < 3.404 and attr store1 > 3.304 )
     ((attr store1 < 3.384 and attr store1 > 3.324 ) and 
      (bondedto (attr store1 < 119.379722631  and attr store1 > 118.579722631 ) or 
       bondedto (attr store1 < 71.637  and attr store1 > 70.837 ) or 
       bondedto (attr store1 < 23.8942773688  and attr store1 > 23.0942773688 ))) 
6 0.1 0.1 peak 719 volume 6.85805 ppm1 3.354 ppm2 3.354
 
! ############### C13_CNnoesy_manual.720 folded +
assi (attr store1 < 3.32 and attr store1 > 3.22 )
     ((attr store1 < 3.303 and attr store1 > 3.243 ) and 
      (bondedto (attr store1 < 119.375722631  and attr store1 > 118.575722631 ) or 
       bondedto (attr store1 < 71.633  and attr store1 > 70.833 ) or 
       bondedto (attr store1 < 23.8902773688  and attr store1 > 23.0902773688 ))) 
6 0.1 0.1 peak 720 volume 29.88363 ppm1 3.273 ppm2 3.270
 
! ############### C13_CNnoesy_manual.721 folded +
assi (attr store1 < 3.174 and attr store1 > 3.074 )
     ((attr store1 < 3.145 and attr store1 > 3.085 ) and 
      (bondedto (attr store1 < 119.339722631  and attr store1 > 118.539722631 ) or 
       bondedto (attr store1 < 71.597  and attr store1 > 70.797 ) or 
       bondedto (attr store1 < 23.8542773688  and attr store1 > 23.0542773688 ))) 
6 0.1 0.1 peak 721 volume 28.12656 ppm1 3.115 ppm2 3.124
 
! ############### C13_CNnoesy_manual.722 folded +
assi (attr store1 < 3.084 and attr store1 > 2.984 )
     ((attr store1 < 3.073 and attr store1 > 3.013 ) and 
      (bondedto (attr store1 < 119.350722631  and attr store1 > 118.550722631 ) or 
       bondedto (attr store1 < 71.608  and attr store1 > 70.808 ) or 
       bondedto (attr store1 < 23.8652773688  and attr store1 > 23.0652773688 ))) 
6 0.1 0.1 peak 722 volume 22.57079 ppm1 3.043 ppm2 3.034
 
! ############### C13_CNnoesy_manual.723 folded +
assi (attr store1 < 2.27 and attr store1 > 2.17 )
     ((attr store1 < 2.246 and attr store1 > 2.186 ) and 
      (bondedto (attr store1 < 119.345722631  and attr store1 > 118.545722631 ) or 
       bondedto (attr store1 < 71.603  and attr store1 > 70.803 ) or 
       bondedto (attr store1 < 23.8602773688  and attr store1 > 23.0602773688 ))) 
6 0.1 0.1 peak 723 volume 26.05066 ppm1 2.216 ppm2 2.220
 
! ############### C13_CNnoesy_manual.724 folded +
assi (attr store1 < 1.817 and attr store1 > 1.717 )
     ((attr store1 < 1.797 and attr store1 > 1.737 ) and 
      (bondedto (attr store1 < 119.327722631  and attr store1 > 118.527722631 ) or 
       bondedto (attr store1 < 71.585  and attr store1 > 70.785 ) or 
       bondedto (attr store1 < 23.8422773688  and attr store1 > 23.0422773688 ))) 
6 0.1 0.1 peak 724 volume 125.56681 ppm1 1.767 ppm2 1.767
 
! ############### C13_CNnoesy_manual.725 folded -
assi (attr store1 < 8.004 and attr store1 > 7.904 )
     ((attr store1 < 4.015 and attr store1 > 3.955 ) and 
      (bondedto (attr store1 < 143.214083947  and attr store1 > 142.414083947 ) or 
       bondedto (attr store1 < 47.7286386844  and attr store1 > 46.9286386844 ))) 
6 0.1 0.1 peak 725 volume 10.80843 ppm1 3.985 ppm2 7.954
 
! ############### C13_CNnoesy_manual.726 folded -
assi (attr store1 < 8.312 and attr store1 > 8.212 )
     ((attr store1 < 4.015 and attr store1 > 3.955 ) and 
      (bondedto (attr store1 < 143.204083947  and attr store1 > 142.404083947 ) or 
       bondedto (attr store1 < 47.7186386844  and attr store1 > 46.9186386844 ))) 
6 0.1 0.1 peak 726 volume 10.96415 ppm1 3.985 ppm2 8.262
 
! ############### C13_CNnoesy_manual.727 folded -
assi (attr store1 < 4.894 and attr store1 > 4.794 )
     ((attr store1 < 4.006 and attr store1 > 3.946 ) and 
      (bondedto (attr store1 < 143.247083947  and attr store1 > 142.447083947 ) or 
       bondedto (attr store1 < 47.7616386844  and attr store1 > 46.9616386844 ))) 
6 0.1 0.1 peak 727 volume 11.5377 ppm1 3.976 ppm2 4.844
 
! ############### C13_CNnoesy_manual.728 folded -
assi (attr store1 < 4.019 and attr store1 > 3.919 )
     ((attr store1 < 4.01 and attr store1 > 3.95 ) and 
      (bondedto (attr store1 < 143.220083947  and attr store1 > 142.420083947 ) or 
       bondedto (attr store1 < 47.7346386844  and attr store1 > 46.9346386844 ))) 
6 0.1 0.1 peak 728 volume 156.56958 ppm1 3.980 ppm2 3.969
 
! ############### C13_CNnoesy_manual.729 folded -
assi (attr store1 < 3.923 and attr store1 > 3.823 )
     ((attr store1 < 4.009 and attr store1 > 3.949 ) and 
      (bondedto (attr store1 < 143.208083947  and attr store1 > 142.408083947 ) or 
       bondedto (attr store1 < 47.7226386844  and attr store1 > 46.9226386844 ))) 
6 0.1 0.1 peak 729 volume 175.67253 ppm1 3.979 ppm2 3.873
 
! ############### C13_CNnoesy_manual.730 folded -
assi (attr store1 < 2.072 and attr store1 > 1.972 )
     ((attr store1 < 4.006 and attr store1 > 3.946 ) and 
      (bondedto (attr store1 < 143.212083947  and attr store1 > 142.412083947 ) or 
       bondedto (attr store1 < 47.7266386844  and attr store1 > 46.9266386844 ))) 
6 0.1 0.1 peak 730 volume 12.15584 ppm1 3.976 ppm2 2.022
 
! ############### C13_CNnoesy_manual.731 folded -
assi (attr store1 < 1.843 and attr store1 > 1.743 )
     ((attr store1 < 4.009 and attr store1 > 3.949 ) and 
      (bondedto (attr store1 < 143.247083947  and attr store1 > 142.447083947 ) or 
       bondedto (attr store1 < 47.7616386844  and attr store1 > 46.9616386844 ))) 
6 0.1 0.1 peak 731 volume 9.88052 ppm1 3.979 ppm2 1.793
 
! ############### C13_CNnoesy_manual.732 folded -
assi (attr store1 < 8.005 and attr store1 > 7.905 )
     ((attr store1 < 3.898 and attr store1 > 3.838 ) and 
      (bondedto (attr store1 < 143.246083947  and attr store1 > 142.446083947 ) or 
       bondedto (attr store1 < 47.7606386844  and attr store1 > 46.9606386844 ))) 
6 0.1 0.1 peak 732 volume 13.2797 ppm1 3.868 ppm2 7.955
 
! ############### C13_CNnoesy_manual.733 folded -
assi (attr store1 < 4.882 and attr store1 > 4.782 )
     ((attr store1 < 3.898 and attr store1 > 3.838 ) and 
      (bondedto (attr store1 < 143.215083947  and attr store1 > 142.415083947 ) or 
       bondedto (attr store1 < 47.7296386844  and attr store1 > 46.9296386844 ))) 
6 0.1 0.1 peak 733 volume 13.45399 ppm1 3.868 ppm2 4.832
 
! ############### C13_CNnoesy_manual.734 folded -
assi (attr store1 < 1.843 and attr store1 > 1.743 )
     ((attr store1 < 3.899 and attr store1 > 3.839 ) and 
      (bondedto (attr store1 < 143.242083947  and attr store1 > 142.442083947 ) or 
       bondedto (attr store1 < 47.7566386844  and attr store1 > 46.9566386844 ))) 
6 0.1 0.1 peak 734 volume 13.03065 ppm1 3.869 ppm2 1.793
 
! ############### C13_CNnoesy_manual.735 folded -
assi (attr store1 < 8.312 and attr store1 > 8.212 )
     ((attr store1 < 3.893 and attr store1 > 3.833 ) and 
      (bondedto (attr store1 < 143.256083947  and attr store1 > 142.456083947 ) or 
       bondedto (attr store1 < 47.7706386844  and attr store1 > 46.9706386844 ))) 
6 0.1 0.1 peak 735 volume 13.52433 ppm1 3.863 ppm2 8.262
 
! ############### C13_CNnoesy_manual.736 folded -
assi (attr store1 < 4.006 and attr store1 > 3.906 )
     ((attr store1 < 3.894 and attr store1 > 3.834 ) and 
      (bondedto (attr store1 < 143.203083947  and attr store1 > 142.403083947 ) or 
       bondedto (attr store1 < 47.7176386844  and attr store1 > 46.9176386844 ))) 
6 0.1 0.1 peak 736 volume 183.12617 ppm1 3.864 ppm2 3.956
 
! ############### C13_CNnoesy_manual.737 folded -
assi (attr store1 < 3.929 and attr store1 > 3.829 )
     ((attr store1 < 3.893 and attr store1 > 3.833 ) and 
      (bondedto (attr store1 < 143.202083947  and attr store1 > 142.402083947 ) or 
       bondedto (attr store1 < 47.7166386844  and attr store1 > 46.9166386844 ))) 
6 0.1 0.1 peak 737 volume 178.73083 ppm1 3.863 ppm2 3.879
 
! ############### C13_CNnoesy_manual.738 folded -
assi (attr store1 < 2.074 and attr store1 > 1.974 )
     ((attr store1 < 3.897 and attr store1 > 3.837 ) and 
      (bondedto (attr store1 < 143.223083947  and attr store1 > 142.423083947 ) or 
       bondedto (attr store1 < 47.7376386844  and attr store1 > 46.9376386844 ))) 
6 0.1 0.1 peak 738 volume 14.11594 ppm1 3.867 ppm2 2.024
 
! ############### C13_CNnoesy_manual.739 folded +
assi (attr store1 < 8.013 and attr store1 > 7.913 )
     ((attr store1 < 7.993 and attr store1 > 7.933 ) and 
      (bondedto (attr store1 < 119.261722631  and attr store1 > 118.461722631 ) or 
       bondedto (attr store1 < 71.519  and attr store1 > 70.719 ) or 
       bondedto (attr store1 < 23.7762773688  and attr store1 > 22.9762773688 ))) 
6 0.1 0.1 peak 739 volume 30.57608 ppm1 7.963 ppm2 7.963
 
! ############### C13_CNnoesy_manual.740 folded +
assi (attr store1 < 2.112 and attr store1 > 2.012 )
     ((attr store1 < 2.245 and attr store1 > 2.185 ) and 
      (bondedto (attr store1 < 119.289722631  and attr store1 > 118.489722631 ) or 
       bondedto (attr store1 < 71.547  and attr store1 > 70.747 ) or 
       bondedto (attr store1 < 23.8042773688  and attr store1 > 23.0042773688 ))) 
6 0.1 0.1 peak 740 volume 13.97634 ppm1 2.215 ppm2 2.062
 
! ############### C13_CNnoesy_manual.741 folded +
assi (attr store1 < 2.104 and attr store1 > 2.004 )
     ((attr store1 < 2.094 and attr store1 > 2.034 ) and 
      (bondedto (attr store1 < 119.310722631  and attr store1 > 118.510722631 ) or 
       bondedto (attr store1 < 71.568  and attr store1 > 70.768 ) or 
       bondedto (attr store1 < 23.8252773688  and attr store1 > 23.0252773688 ))) 
6 0.1 0.1 peak 741 volume 23.27862 ppm1 2.064 ppm2 2.054
 
! ############### C13_CNnoesy_manual.742 folded +
assi (attr store1 < 2.264 and attr store1 > 2.164 )
     ((attr store1 < 2.083 and attr store1 > 2.023 ) and 
      (bondedto (attr store1 < 119.265722631  and attr store1 > 118.465722631 ) or 
       bondedto (attr store1 < 71.523  and attr store1 > 70.723 ) or 
       bondedto (attr store1 < 23.7802773688  and attr store1 > 22.9802773688 ))) 
6 0.1 0.1 peak 742 volume 13.30564 ppm1 2.053 ppm2 2.214
 
! ############### C13_CNnoesy_manual.743 folded +
assi (attr store1 < 1.108 and attr store1 > 1.008 )
     ((attr store1 < 1.077 and attr store1 > 1.017 ) and 
      (bondedto (attr store1 < 119.292722631  and attr store1 > 118.492722631 ) or 
       bondedto (attr store1 < 71.55  and attr store1 > 70.75 ) or 
       bondedto (attr store1 < 23.8072773688  and attr store1 > 23.0072773688 ))) 
6 0.1 0.1 peak 743 volume 378.70505 ppm1 1.047 ppm2 1.058
 
! ############### C13_CNnoesy_manual.744 folded -
assi (attr store1 < 7.372 and attr store1 > 7.272 )
     ((attr store1 < 7.352 and attr store1 > 7.292 ) and 
      (bondedto (attr store1 < 143.113083947  and attr store1 > 142.313083947 ) or 
       bondedto (attr store1 < 47.6276386844  and attr store1 > 46.8276386844 ))) 
6 0.1 0.1 peak 744 volume 19.87815 ppm1 7.322 ppm2 7.322
 
! ############### C13_CNnoesy_manual.745 folded -
assi (attr store1 < 7.313 and attr store1 > 7.213 )
     ((attr store1 < 7.327 and attr store1 > 7.267 ) and 
      (bondedto (attr store1 < 143.194083947  and attr store1 > 142.394083947 ) or 
       bondedto (attr store1 < 47.7086386844  and attr store1 > 46.9086386844 ))) 
6 0.1 0.1 peak 745 volume 19.35939 ppm1 7.297 ppm2 7.263
 
! ############### C13_CNnoesy_manual.746 folded +
assi (attr store1 < 4.044 and attr store1 > 3.944 )
     ((attr store1 < 6.774 and attr store1 > 6.714 ) and 
      (bondedto (attr store1 < 119.155722631  and attr store1 > 118.355722631 ) or 
       bondedto (attr store1 < 71.413  and attr store1 > 70.613 ) or 
       bondedto (attr store1 < 23.6702773688  and attr store1 > 22.8702773688 ))) 
6 0.1 0.1 peak 746 volume 6.63157 ppm1 6.744 ppm2 3.994
 
! ############### C13_CNnoesy_manual.747 folded +
assi (attr store1 < 1.31 and attr store1 > 1.21 )
     ((attr store1 < 1.076 and attr store1 > 1.016 ) and 
      (bondedto (attr store1 < 119.167722631  and attr store1 > 118.367722631 ) or 
       bondedto (attr store1 < 71.425  and attr store1 > 70.625 ) or 
       bondedto (attr store1 < 23.6822773688  and attr store1 > 22.8822773688 ))) 
6 0.1 0.1 peak 747 volume 8.58623 ppm1 1.046 ppm2 1.260
 
! ############### C13_CNnoesy_manual.748 folded +
assi (attr store1 < 1.265 and attr store1 > 1.165 )
     ((attr store1 < 1.073 and attr store1 > 1.013 ) and 
      (bondedto (attr store1 < 119.225722631  and attr store1 > 118.425722631 ) or 
       bondedto (attr store1 < 71.483  and attr store1 > 70.683 ) or 
       bondedto (attr store1 < 23.7402773688  and attr store1 > 22.9402773688 ))) 
6 0.1 0.1 peak 748 volume 8.53304 ppm1 1.043 ppm2 1.215
 
! ############### C13_CNnoesy_manual.749 folded -
assi (attr store1 < 1.516 and attr store1 > 1.416 )
     ((attr store1 < 1.498 and attr store1 > 1.438 ) and 
      (bondedto (attr store1 < 143.091083947  and attr store1 > 142.291083947 ) or 
       bondedto (attr store1 < 47.6056386844  and attr store1 > 46.8056386844 ))) 
6 0.1 0.1 peak 749 volume 97.61768 ppm1 1.468 ppm2 1.466
 
! ############### C13_CNnoesy_manual.750 folded +
assi (attr store1 < 7.307 and attr store1 > 7.207 )
     ((attr store1 < 6.774 and attr store1 > 6.714 ) and 
      (bondedto (attr store1 < 119.135722631  and attr store1 > 118.335722631 ) or 
       bondedto (attr store1 < 71.393  and attr store1 > 70.593 ) or 
       bondedto (attr store1 < 23.6502773688  and attr store1 > 22.8502773688 ))) 
6 0.1 0.1 peak 750 volume 224.73357 ppm1 6.744 ppm2 7.257
 
! ############### C13_CNnoesy_manual.751 folded +
assi (attr store1 < 6.791 and attr store1 > 6.691 )
     ((attr store1 < 6.77 and attr store1 > 6.71 ) and 
      (bondedto (attr store1 < 119.094722631  and attr store1 > 118.294722631 ) or 
       bondedto (attr store1 < 71.352  and attr store1 > 70.552 ) or 
       bondedto (attr store1 < 23.6092773688  and attr store1 > 22.8092773688 ))) 
6 0.1 0.1 peak 751 volume 2010.06555 ppm1 6.740 ppm2 6.741
 
! ############### C13_CNnoesy_manual.752 folded +
assi (attr store1 < 4.248 and attr store1 > 4.148 )
     ((attr store1 < 6.774 and attr store1 > 6.714 ) and 
      (bondedto (attr store1 < 119.123722631  and attr store1 > 118.323722631 ) or 
       bondedto (attr store1 < 71.381  and attr store1 > 70.581 ) or 
       bondedto (attr store1 < 23.6382773688  and attr store1 > 22.8382773688 ))) 
6 0.1 0.1 peak 752 volume 15.63293 ppm1 6.744 ppm2 4.198
 
! ############### C13_CNnoesy_manual.753 folded +
assi (attr store1 < 2.22 and attr store1 > 2.12 )
     ((attr store1 < 6.772 and attr store1 > 6.712 ) and 
      (bondedto (attr store1 < 119.119722631  and attr store1 > 118.319722631 ) or 
       bondedto (attr store1 < 71.377  and attr store1 > 70.577 ) or 
       bondedto (attr store1 < 23.6342773688  and attr store1 > 22.8342773688 ))) 
6 0.1 0.1 peak 753 volume 10.42360 ppm1 6.742 ppm2 2.170
 
! ############### C13_CNnoesy_manual.754 folded +
assi (attr store1 < 1.847 and attr store1 > 1.747 )
     ((attr store1 < 6.774 and attr store1 > 6.714 ) and 
      (bondedto (attr store1 < 119.107722631  and attr store1 > 118.307722631 ) or 
       bondedto (attr store1 < 71.365  and attr store1 > 70.565 ) or 
       bondedto (attr store1 < 23.6222773688  and attr store1 > 22.8222773688 ))) 
6 0.1 0.1 peak 754 volume 31.81900 ppm1 6.744 ppm2 1.797
 
! ############### C13_CNnoesy_manual.755 folded +
assi (attr store1 < 1.624 and attr store1 > 1.524 )
     ((attr store1 < 6.773 and attr store1 > 6.713 ) and 
      (bondedto (attr store1 < 119.095722631  and attr store1 > 118.295722631 ) or 
       bondedto (attr store1 < 71.353  and attr store1 > 70.553 ) or 
       bondedto (attr store1 < 23.6102773688  and attr store1 > 22.8102773688 ))) 
6 0.1 0.1 peak 755 volume 19.98839 ppm1 6.743 ppm2 1.574
 
! ############### C13_CNnoesy_manual.756 folded +
assi (attr store1 < 1.39 and attr store1 > 1.29 )
     ((attr store1 < 6.773 and attr store1 > 6.713 ) and 
      (bondedto (attr store1 < 119.097722631  and attr store1 > 118.297722631 ) or 
       bondedto (attr store1 < 71.355  and attr store1 > 70.555 ) or 
       bondedto (attr store1 < 23.6122773688  and attr store1 > 22.8122773688 ))) 
6 0.1 0.1 peak 756 volume 20.92082 ppm1 6.743 ppm2 1.340
 
! ############### C13_CNnoesy_manual.757 folded +
assi (attr store1 < 1.227 and attr store1 > 1.127 )
     ((attr store1 < 6.771 and attr store1 > 6.711 ) and 
      (bondedto (attr store1 < 119.089722631  and attr store1 > 118.289722631 ) or 
       bondedto (attr store1 < 71.347  and attr store1 > 70.547 ) or 
       bondedto (attr store1 < 23.6042773688  and attr store1 > 22.8042773688 ))) 
6 0.1 0.1 peak 757 volume 27.89151 ppm1 6.741 ppm2 1.177
 
! ############### C13_CNnoesy_manual.758 folded +
assi (attr store1 < 1.057 and attr store1 > 0.957 )
     ((attr store1 < 6.774 and attr store1 > 6.714 ) and 
      (bondedto (attr store1 < 119.099722631  and attr store1 > 118.299722631 ) or 
       bondedto (attr store1 < 71.357  and attr store1 > 70.557 ) or 
       bondedto (attr store1 < 23.6142773688  and attr store1 > 22.8142773688 ))) 
6 0.1 0.1 peak 758 volume 51.67035 ppm1 6.744 ppm2 1.007
 
! ############### C13_CNnoesy_manual.759 folded +
assi (attr store1 < 0.919 and attr store1 > 0.819 )
     ((attr store1 < 6.772 and attr store1 > 6.712 ) and 
      (bondedto (attr store1 < 119.107722631  and attr store1 > 118.307722631 ) or 
       bondedto (attr store1 < 71.365  and attr store1 > 70.565 ) or 
       bondedto (attr store1 < 23.6222773688  and attr store1 > 22.8222773688 ))) 
6 0.1 0.1 peak 759 volume 65.64412 ppm1 6.742 ppm2 0.869
 
! ############### C13_CNnoesy_manual.760 folded +
assi (attr store1 < 2.852 and attr store1 > 2.752 )
     ((attr store1 < 2.831 and attr store1 > 2.771 ) and 
      (bondedto (attr store1 < 119.081722631  and attr store1 > 118.281722631 ) or 
       bondedto (attr store1 < 71.339  and attr store1 > 70.539 ) or 
       bondedto (attr store1 < 23.5962773688  and attr store1 > 22.7962773688 ))) 
6 0.1 0.1 peak 760 volume 34.90036 ppm1 2.801 ppm2 2.802
 
! ############### C13_CNnoesy_manual.761 folded +
assi (attr store1 < 2.512 and attr store1 > 2.412 )
     ((attr store1 < 2.49 and attr store1 > 2.43 ) and 
      (bondedto (attr store1 < 119.049722631  and attr store1 > 118.249722631 ) or 
       bondedto (attr store1 < 71.307  and attr store1 > 70.507 ) or 
       bondedto (attr store1 < 23.5642773688  and attr store1 > 22.7642773688 ))) 
6 0.1 0.1 peak 761 volume 51.86704 ppm1 2.460 ppm2 2.462
 
! ############### C13_CNnoesy_manual.762 folded +
assi (attr store1 < 2.334 and attr store1 > 2.234 )
     ((attr store1 < 1.075 and attr store1 > 1.015 ) and 
      (bondedto (attr store1 < 119.128722631  and attr store1 > 118.328722631 ) or 
       bondedto (attr store1 < 71.386  and attr store1 > 70.586 ) or 
       bondedto (attr store1 < 23.6432773688  and attr store1 > 22.8432773688 ))) 
6 0.1 0.1 peak 762 volume 7.57566 ppm1 1.045 ppm2 2.284
 
! ############### C13_CNnoesy_manual.763 folded +
assi (attr store1 < 7.322 and attr store1 > 7.222 )
     ((attr store1 < 0.89 and attr store1 > 0.83 ) and 
      (bondedto (attr store1 < 119.060722631  and attr store1 > 118.260722631 ) or 
       bondedto (attr store1 < 71.318  and attr store1 > 70.518 ) or 
       bondedto (attr store1 < 23.5752773688  and attr store1 > 22.7752773688 ))) 
6 0.1 0.1 peak 763 volume 38.89101 ppm1 0.860 ppm2 7.272
 
! ############### C13_CNnoesy_manual.764 folded +
assi (attr store1 < 6.792 and attr store1 > 6.692 )
     ((attr store1 < 0.891 and attr store1 > 0.831 ) and 
      (bondedto (attr store1 < 119.044722631  and attr store1 > 118.244722631 ) or 
       bondedto (attr store1 < 71.302  and attr store1 > 70.502 ) or 
       bondedto (attr store1 < 23.5592773688  and attr store1 > 22.7592773688 ))) 
6 0.1 0.1 peak 764 volume 46.01721 ppm1 0.861 ppm2 6.742
 
! ############### C13_CNnoesy_manual.765 folded +
assi (attr store1 < 1.981 and attr store1 > 1.881 )
     ((attr store1 < 0.888 and attr store1 > 0.828 ) and 
      (bondedto (attr store1 < 119.100722631  and attr store1 > 118.300722631 ) or 
       bondedto (attr store1 < 71.358  and attr store1 > 70.558 ) or 
       bondedto (attr store1 < 23.6152773688  and attr store1 > 22.8152773688 ))) 
6 0.1 0.1 peak 765 volume 117.21786 ppm1 0.858 ppm2 1.931
 
! ############### C13_CNnoesy_manual.766 folded +
assi (attr store1 < 8.757 and attr store1 > 8.657 )
     ((attr store1 < 0.885 and attr store1 > 0.825 ) and 
      (bondedto (attr store1 < 119.073722631  and attr store1 > 118.273722631 ) or 
       bondedto (attr store1 < 71.331  and attr store1 > 70.531 ) or 
       bondedto (attr store1 < 23.5882773688  and attr store1 > 22.7882773688 ))) 
6 0.1 0.1 peak 766 volume 7.62368 ppm1 0.855 ppm2 8.707
 
! ############### C13_CNnoesy_manual.767 folded +
assi (attr store1 < 8.237 and attr store1 > 8.137 )
     ((attr store1 < 0.888 and attr store1 > 0.828 ) and 
      (bondedto (attr store1 < 119.090722631  and attr store1 > 118.290722631 ) or 
       bondedto (attr store1 < 71.348  and attr store1 > 70.548 ) or 
       bondedto (attr store1 < 23.6052773688  and attr store1 > 22.8052773688 ))) 
6 0.1 0.1 peak 767 volume 19.38089 ppm1 0.858 ppm2 8.187
 
! ############### C13_CNnoesy_manual.768 folded +
assi (attr store1 < 4.244 and attr store1 > 4.144 )
     ((attr store1 < 0.888 and attr store1 > 0.828 ) and 
      (bondedto (attr store1 < 119.088722631  and attr store1 > 118.288722631 ) or 
       bondedto (attr store1 < 71.346  and attr store1 > 70.546 ) or 
       bondedto (attr store1 < 23.6032773688  and attr store1 > 22.8032773688 ))) 
6 0.1 0.1 peak 768 volume 107.84724 ppm1 0.858 ppm2 4.194
 
! ############### C13_CNnoesy_manual.769 folded +
assi (attr store1 < 3.566 and attr store1 > 3.466 )
     ((attr store1 < 0.885 and attr store1 > 0.825 ) and 
      (bondedto (attr store1 < 119.090722631  and attr store1 > 118.290722631 ) or 
       bondedto (attr store1 < 71.348  and attr store1 > 70.548 ) or 
       bondedto (attr store1 < 23.6052773688  and attr store1 > 22.8052773688 ))) 
6 0.1 0.1 peak 769 volume 7.62597 ppm1 0.855 ppm2 3.516
 
! ############### C13_CNnoesy_manual.770 folded +
assi (attr store1 < 1.568 and attr store1 > 1.468 )
     ((attr store1 < 0.888 and attr store1 > 0.828 ) and 
      (bondedto (attr store1 < 119.084722631  and attr store1 > 118.284722631 ) or 
       bondedto (attr store1 < 71.342  and attr store1 > 70.542 ) or 
       bondedto (attr store1 < 23.5992773688  and attr store1 > 22.7992773688 ))) 
6 0.1 0.1 peak 770 volume 70.86375 ppm1 0.858 ppm2 1.518
 
! ############### C13_CNnoesy_manual.771 folded -
assi (attr store1 < 2.196 and attr store1 > 2.096 )
     ((attr store1 < 2.17 and attr store1 > 2.11 ) and 
      (bondedto (attr store1 < 142.990083947  and attr store1 > 142.190083947 ) or 
       bondedto (attr store1 < 47.5046386844  and attr store1 > 46.7046386844 ))) 
6 0.1 0.1 peak 771 volume 68.23432 ppm1 2.140 ppm2 2.146
 
! ############### C13_CNnoesy_manual.772 folded +
assi (attr store1 < 8.283 and attr store1 > 8.183 )
     ((attr store1 < 6.768 and attr store1 > 6.708 ) and 
      (bondedto (attr store1 < 119.038722631  and attr store1 > 118.238722631 ) or 
       bondedto (attr store1 < 71.296  and attr store1 > 70.496 ) or 
       bondedto (attr store1 < 23.5532773688  and attr store1 > 22.7532773688 ))) 
6 0.1 0.1 peak 772 volume 6.03024 ppm1 6.738 ppm2 8.233
 
! ############### C13_CNnoesy_manual.773 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 6.761 and attr store1 > 6.701 ) and 
      (bondedto (attr store1 < 118.959722631  and attr store1 > 118.159722631 ) or 
       bondedto (attr store1 < 71.217  and attr store1 > 70.417 ) or 
       bondedto (attr store1 < 23.4742773688  and attr store1 > 22.6742773688 ))) 
6 0.1 0.1 peak 773 volume 52.50529 ppm1 6.731 ppm2 4.839
 
! ############### C13_CNnoesy_manual.774 folded +
assi (attr store1 < 1.067 and attr store1 > 0.967 )
     ((attr store1 < 7.059 and attr store1 > 6.999 ) and 
      (bondedto (attr store1 < 118.875722631  and attr store1 > 118.075722631 ) or 
       bondedto (attr store1 < 71.133  and attr store1 > 70.333 ) or 
       bondedto (attr store1 < 23.3902773688  and attr store1 > 22.5902773688 ))) 
6 0.1 0.1 peak 774 volume 39.09553 ppm1 7.029 ppm2 1.017
 
! ############### C13_CNnoesy_manual.775 folded +
assi (attr store1 < 7.184 and attr store1 > 7.084 )
     ((attr store1 < 0.908 and attr store1 > 0.848 ) and 
      (bondedto (attr store1 < 118.888722631  and attr store1 > 118.088722631 ) or 
       bondedto (attr store1 < 71.146  and attr store1 > 70.346 ) or 
       bondedto (attr store1 < 23.4032773688  and attr store1 > 22.6032773688 ))) 
6 0.1 0.1 peak 775 volume 10.36518 ppm1 0.878 ppm2 7.134
 
! ############### C13_CNnoesy_manual.776 folded +
assi (attr store1 < 7.099 and attr store1 > 6.999 )
     ((attr store1 < 0.908 and attr store1 > 0.848 ) and 
      (bondedto (attr store1 < 118.876722631  and attr store1 > 118.076722631 ) or 
       bondedto (attr store1 < 71.134  and attr store1 > 70.334 ) or 
       bondedto (attr store1 < 23.3912773688  and attr store1 > 22.5912773688 ))) 
6 0.1 0.1 peak 776 volume 11.03006 ppm1 0.878 ppm2 7.049
 
! ############### C13_CNnoesy_manual.777 folded +
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 0.907 and attr store1 > 0.847 ) and 
      (bondedto (attr store1 < 118.889722631  and attr store1 > 118.089722631 ) or 
       bondedto (attr store1 < 71.147  and attr store1 > 70.347 ) or 
       bondedto (attr store1 < 23.4042773688  and attr store1 > 22.6042773688 ))) 
6 0.1 0.1 peak 777 volume 24.77496 ppm1 0.877 ppm2 4.838
 
! ############### C13_CNnoesy_manual.778 folded +
assi (attr store1 < 3.145 and attr store1 > 3.045 )
     ((attr store1 < 0.912 and attr store1 > 0.852 ) and 
      (bondedto (attr store1 < 118.874722631  and attr store1 > 118.074722631 ) or 
       bondedto (attr store1 < 71.132  and attr store1 > 70.332 ) or 
       bondedto (attr store1 < 23.3892773688  and attr store1 > 22.5892773688 ))) 
6 0.1 0.1 peak 778 volume 8.39246 ppm1 0.882 ppm2 3.095
 
! ############### C13_CNnoesy_manual.779 folded +
assi (attr store1 < 1.407 and attr store1 > 1.307 )
     ((attr store1 < 0.904 and attr store1 > 0.844 ) and 
      (bondedto (attr store1 < 118.927722631  and attr store1 > 118.127722631 ) or 
       bondedto (attr store1 < 71.185  and attr store1 > 70.385 ) or 
       bondedto (attr store1 < 23.4422773688  and attr store1 > 22.6422773688 ))) 
6 0.1 0.1 peak 779 volume 40.56927 ppm1 0.874 ppm2 1.357
 
! ############### C13_CNnoesy_manual.780 folded +
assi (attr store1 < 1.226 and attr store1 > 1.126 )
     ((attr store1 < 0.909 and attr store1 > 0.849 ) and 
      (bondedto (attr store1 < 118.881722631  and attr store1 > 118.081722631 ) or 
       bondedto (attr store1 < 71.139  and attr store1 > 70.339 ) or 
       bondedto (attr store1 < 23.3962773688  and attr store1 > 22.5962773688 ))) 
6 0.1 0.1 peak 780 volume 85.20602 ppm1 0.879 ppm2 1.176
 
! ############### C13_CNnoesy_manual.781 folded +
assi (attr store1 < 1.074 and attr store1 > 0.974 )
     ((attr store1 < 0.908 and attr store1 > 0.848 ) and 
      (bondedto (attr store1 < 118.894722631  and attr store1 > 118.094722631 ) or 
       bondedto (attr store1 < 71.152  and attr store1 > 70.352 ) or 
       bondedto (attr store1 < 23.4092773688  and attr store1 > 22.6092773688 ))) 
6 0.1 0.1 peak 781 volume 282.00815 ppm1 0.878 ppm2 1.024
 
! ############### C13_CNnoesy_manual.782 folded +
assi (attr store1 < 0.928 and attr store1 > 0.828 )
     ((attr store1 < 0.908 and attr store1 > 0.848 ) and 
      (bondedto (attr store1 < 118.897722631  and attr store1 > 118.097722631 ) or 
       bondedto (attr store1 < 71.155  and attr store1 > 70.355 ) or 
       bondedto (attr store1 < 23.4122773688  and attr store1 > 22.6122773688 ))) 
6 0.1 0.1 peak 782 volume 5437.82715 ppm1 0.878 ppm2 0.878
 
! ############### C13_CNnoesy_manual.783 folded +
assi (attr store1 < 0.662 and attr store1 > 0.562 )
     ((attr store1 < 0.904 and attr store1 > 0.844 ) and 
      (bondedto (attr store1 < 118.921722631  and attr store1 > 118.121722631 ) or 
       bondedto (attr store1 < 71.179  and attr store1 > 70.379 ) or 
       bondedto (attr store1 < 23.4362773688  and attr store1 > 22.6362773688 ))) 
6 0.1 0.1 peak 783 volume 25.65162 ppm1 0.874 ppm2 0.612
 
! ############### C13_CNnoesy_manual.784 folded +
assi (attr store1 < 0.564 and attr store1 > 0.464 )
     ((attr store1 < 0.906 and attr store1 > 0.846 ) and 
      (bondedto (attr store1 < 118.884722631  and attr store1 > 118.084722631 ) or 
       bondedto (attr store1 < 71.142  and attr store1 > 70.342 ) or 
       bondedto (attr store1 < 23.3992773688  and attr store1 > 22.5992773688 ))) 
6 0.1 0.1 peak 784 volume 12.10605 ppm1 0.876 ppm2 0.514
 
! ############### C13_CNnoesy_manual.785 folded -
assi (attr store1 < 1.412 and attr store1 > 1.312 )
     ((attr store1 < 1.382 and attr store1 > 1.322 ) and 
      (bondedto (attr store1 < 142.759083947  and attr store1 > 141.959083947 ) or 
       bondedto (attr store1 < 47.2736386844  and attr store1 > 46.4736386844 ))) 
6 0.1 0.1 peak 785 volume 107.02044 ppm1 1.352 ppm2 1.362
 
! ############### C13_CNnoesy_manual.786 folded +
assi (attr store1 < 6.763 and attr store1 > 6.663 )
     ((attr store1 < 7.068 and attr store1 > 7.008 ) and 
      (bondedto (attr store1 < 118.854722631  and attr store1 > 118.054722631 ) or 
       bondedto (attr store1 < 71.112  and attr store1 > 70.312 ) or 
       bondedto (attr store1 < 23.3692773688  and attr store1 > 22.5692773688 ))) 
6 0.1 0.1 peak 786 volume 27.33846 ppm1 7.038 ppm2 6.713
 
! ############### C13_CNnoesy_manual.787 folded +
assi (attr store1 < 7.246 and attr store1 > 7.146 )
     ((attr store1 < 7.059 and attr store1 > 6.999 ) and 
      (bondedto (attr store1 < 118.783722631  and attr store1 > 117.983722631 ) or 
       bondedto (attr store1 < 71.041  and attr store1 > 70.241 ) or 
       bondedto (attr store1 < 23.2982773688  and attr store1 > 22.4982773688 ))) 
6 0.1 0.1 peak 787 volume 8.44982 ppm1 7.029 ppm2 7.196
 
! ############### C13_CNnoesy_manual.788 folded +
assi (attr store1 < 0.69 and attr store1 > 0.59 )
     ((attr store1 < 7.059 and attr store1 > 6.999 ) and 
      (bondedto (attr store1 < 118.783722631  and attr store1 > 117.983722631 ) or 
       bondedto (attr store1 < 71.041  and attr store1 > 70.241 ) or 
       bondedto (attr store1 < 23.2982773688  and attr store1 > 22.4982773688 ))) 
6 0.1 0.1 peak 788 volume 5.99891 ppm1 7.029 ppm2 0.640
 
! ############### C13_CNnoesy_manual.789 folded +
assi (attr store1 < 7.088 and attr store1 > 6.988 )
     ((attr store1 < 6.743 and attr store1 > 6.683 ) and 
      (bondedto (attr store1 < 118.815722631  and attr store1 > 118.015722631 ) or 
       bondedto (attr store1 < 71.073  and attr store1 > 70.273 ) or 
       bondedto (attr store1 < 23.3302773688  and attr store1 > 22.5302773688 ))) 
6 0.1 0.1 peak 789 volume 232.18361 ppm1 6.713 ppm2 7.038
 
! ############### C13_CNnoesy_manual.790 folded +
assi (attr store1 < 4.535 and attr store1 > 4.435 )
     ((attr store1 < 6.745 and attr store1 > 6.685 ) and 
      (bondedto (attr store1 < 118.817722631  and attr store1 > 118.017722631 ) or 
       bondedto (attr store1 < 71.075  and attr store1 > 70.275 ) or 
       bondedto (attr store1 < 23.3322773688  and attr store1 > 22.5322773688 ))) 
6 0.1 0.1 peak 790 volume 8.05396 ppm1 6.715 ppm2 4.485
 
! ############### C13_CNnoesy_manual.791 folded +
assi (attr store1 < 2.852 and attr store1 > 2.752 )
     ((attr store1 < 6.745 and attr store1 > 6.685 ) and 
      (bondedto (attr store1 < 118.832722631  and attr store1 > 118.032722631 ) or 
       bondedto (attr store1 < 71.09  and attr store1 > 70.29 ) or 
       bondedto (attr store1 < 23.3472773688  and attr store1 > 22.5472773688 ))) 
6 0.1 0.1 peak 791 volume 22.15602 ppm1 6.715 ppm2 2.802
 
! ############### C13_CNnoesy_manual.792 folded +
assi (attr store1 < 6.776 and attr store1 > 6.676 )
     ((attr store1 < 6.59 and attr store1 > 6.53 ) and 
      (bondedto (attr store1 < 118.818722631  and attr store1 > 118.018722631 ) or 
       bondedto (attr store1 < 71.076  and attr store1 > 70.276 ) or 
       bondedto (attr store1 < 23.3332773688  and attr store1 > 22.5332773688 ))) 
6 0.1 0.1 peak 792 volume 27.47367 ppm1 6.560 ppm2 6.726
 
! ############### C13_CNnoesy_manual.793 folded +
assi (attr store1 < 8.596 and attr store1 > 8.496 )
     ((attr store1 < 0.909 and attr store1 > 0.849 ) and 
      (bondedto (attr store1 < 118.855722631  and attr store1 > 118.055722631 ) or 
       bondedto (attr store1 < 71.113  and attr store1 > 70.313 ) or 
       bondedto (attr store1 < 23.3702773688  and attr store1 > 22.5702773688 ))) 
6 0.1 0.1 peak 793 volume 8.58467 ppm1 0.879 ppm2 8.546
 
! ############### C13_CNnoesy_manual.794 folded +
assi (attr store1 < 7.736 and attr store1 > 7.636 )
     ((attr store1 < 0.91 and attr store1 > 0.85 ) and 
      (bondedto (attr store1 < 118.838722631  and attr store1 > 118.038722631 ) or 
       bondedto (attr store1 < 71.096  and attr store1 > 70.296 ) or 
       bondedto (attr store1 < 23.3532773688  and attr store1 > 22.5532773688 ))) 
6 0.1 0.1 peak 794 volume 7.16373 ppm1 0.880 ppm2 7.686
 
! ############### C13_CNnoesy_manual.795 folded +
assi (attr store1 < 3.999 and attr store1 > 3.899 )
     ((attr store1 < 0.91 and attr store1 > 0.85 ) and 
      (bondedto (attr store1 < 118.855722631  and attr store1 > 118.055722631 ) or 
       bondedto (attr store1 < 71.113  and attr store1 > 70.313 ) or 
       bondedto (attr store1 < 23.3702773688  and attr store1 > 22.5702773688 ))) 
6 0.1 0.1 peak 795 volume 127.53117 ppm1 0.880 ppm2 3.949
 
! ############### C13_CNnoesy_manual.796 folded -
assi (attr store1 < 1.841 and attr store1 > 1.741 )
     ((attr store1 < 1.823 and attr store1 > 1.763 ) and 
      (bondedto (attr store1 < 142.635083947  and attr store1 > 141.835083947 ) or 
       bondedto (attr store1 < 47.1496386844  and attr store1 > 46.3496386844 ))) 
6 0.1 0.1 peak 796 volume 126.82693 ppm1 1.793 ppm2 1.791
 
! ############### C13_CNnoesy_manual.797 folded +
assi (attr store1 < 7.198 and attr store1 > 7.098 )
     ((attr store1 < 6.906 and attr store1 > 6.846 ) and 
      (bondedto (attr store1 < 118.759722631  and attr store1 > 117.959722631 ) or 
       bondedto (attr store1 < 71.017  and attr store1 > 70.217 ) or 
       bondedto (attr store1 < 23.2742773688  and attr store1 > 22.4742773688 ))) 
6 0.1 0.1 peak 797 volume 29.99663 ppm1 6.876 ppm2 7.148
 
! ############### C13_CNnoesy_manual.798 folded -
assi (attr store1 < 8.012 and attr store1 > 7.912 )
     ((attr store1 < 7.99 and attr store1 > 7.93 ) and 
      (bondedto (attr store1 < 142.627083947  and attr store1 > 141.827083947 ) or 
       bondedto (attr store1 < 47.1416386844  and attr store1 > 46.3416386844 ))) 
6 0.1 0.1 peak 798 volume 15.89713 ppm1 7.960 ppm2 7.962
 
! ############### C13_CNnoesy_manual.799 folded -
assi (attr store1 < 1.629 and attr store1 > 1.529 )
     ((attr store1 < 1.61 and attr store1 > 1.55 ) and 
      (bondedto (attr store1 < 142.577083947  and attr store1 > 141.777083947 ) or 
       bondedto (attr store1 < 47.0916386844  and attr store1 > 46.2916386844 ))) 
6 0.1 0.1 peak 799 volume 84.55762 ppm1 1.580 ppm2 1.579
 
! ############### C13_CNnoesy_manual.800 folded -
assi (attr store1 < 0.8 and attr store1 > 0.7 )
     ((attr store1 < 0.781 and attr store1 > 0.721 ) and 
      (bondedto (attr store1 < 142.548083947  and attr store1 > 141.748083947 ) or 
       bondedto (attr store1 < 47.0626386844  and attr store1 > 46.2626386844 ))) 
6 0.1 0.1 peak 800 volume 84.30951 ppm1 0.751 ppm2 0.750
 
! ############### C13_CNnoesy_manual.801 folded +
assi (attr store1 < 7.079 and attr store1 > 6.979 )
     ((attr store1 < 7.059 and attr store1 > 6.999 ) and 
      (bondedto (attr store1 < 118.638722631  and attr store1 > 117.838722631 ) or 
       bondedto (attr store1 < 70.896  and attr store1 > 70.096 ) or 
       bondedto (attr store1 < 23.1532773688  and attr store1 > 22.3532773688 ))) 
6 0.1 0.1 peak 801 volume 553.39166 ppm1 7.029 ppm2 7.029
 
! ############### C13_CNnoesy_manual.802 folded +
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 7.059 and attr store1 > 6.999 ) and 
      (bondedto (attr store1 < 118.663722631  and attr store1 > 117.863722631 ) or 
       bondedto (attr store1 < 70.921  and attr store1 > 70.121 ) or 
       bondedto (attr store1 < 23.1782773688  and attr store1 > 22.3782773688 ))) 
6 0.1 0.1 peak 802 volume 27.63078 ppm1 7.029 ppm2 4.838
 
! ############### C13_CNnoesy_manual.803 folded +
assi (attr store1 < 3.254 and attr store1 > 3.154 )
     ((attr store1 < 7.059 and attr store1 > 6.999 ) and 
      (bondedto (attr store1 < 118.638722631  and attr store1 > 117.838722631 ) or 
       bondedto (attr store1 < 70.896  and attr store1 > 70.096 ) or 
       bondedto (attr store1 < 23.1532773688  and attr store1 > 22.3532773688 ))) 
6 0.1 0.1 peak 803 volume 26.59936 ppm1 7.029 ppm2 3.204
 
! ############### C13_CNnoesy_manual.804 folded +
assi (attr store1 < 6.944 and attr store1 > 6.844 )
     ((attr store1 < 6.925 and attr store1 > 6.865 ) and 
      (bondedto (attr store1 < 118.603722631  and attr store1 > 117.803722631 ) or 
       bondedto (attr store1 < 70.861  and attr store1 > 70.061 ) or 
       bondedto (attr store1 < 23.1182773688  and attr store1 > 22.3182773688 ))) 
6 0.1 0.1 peak 804 volume 236.01636 ppm1 6.895 ppm2 6.894
 
! ############### C13_CNnoesy_manual.805 folded +
assi (attr store1 < 1.392 and attr store1 > 1.292 )
     ((attr store1 < 6.59 and attr store1 > 6.53 ) and 
      (bondedto (attr store1 < 118.579722631  and attr store1 > 117.779722631 ) or 
       bondedto (attr store1 < 70.837  and attr store1 > 70.037 ) or 
       bondedto (attr store1 < 23.0942773688  and attr store1 > 22.2942773688 ))) 
6 0.1 0.1 peak 805 volume 6.46956 ppm1 6.560 ppm2 1.342
 
! ############### C13_CNnoesy_manual.806 folded +
assi (attr store1 < 4.048 and attr store1 > 3.948 )
     ((attr store1 < 3.955 and attr store1 > 3.895 ) and 
      (bondedto (attr store1 < 118.650722631  and attr store1 > 117.850722631 ) or 
       bondedto (attr store1 < 70.908  and attr store1 > 70.108 ) or 
       bondedto (attr store1 < 23.1652773688  and attr store1 > 22.3652773688 ))) 
6 0.1 0.1 peak 806 volume 10.06484 ppm1 3.925 ppm2 3.998
 
! ############### C13_CNnoesy_manual.807 folded -
assi (attr store1 < 1.66 and attr store1 > 1.56 )
     ((attr store1 < 1.636 and attr store1 > 1.576 ) and 
      (bondedto (attr store1 < 142.493083947  and attr store1 > 141.693083947 ) or 
       bondedto (attr store1 < 47.0076386844  and attr store1 > 46.2076386844 ))) 
6 0.1 0.1 peak 807 volume 65.44382 ppm1 1.606 ppm2 1.610
 
! ############### C13_CNnoesy_manual.808 folded +
assi (attr store1 < 1.073 and attr store1 > 0.973 )
     ((attr store1 < 7.059 and attr store1 > 6.999 ) and 
      (bondedto (attr store1 < 118.565722631  and attr store1 > 117.765722631 ) or 
       bondedto (attr store1 < 70.823  and attr store1 > 70.023 ) or 
       bondedto (attr store1 < 23.0802773688  and attr store1 > 22.2802773688 ))) 
6 0.1 0.1 peak 808 volume 38.25964 ppm1 7.029 ppm2 1.023
 
! ############### C13_CNnoesy_manual.809 folded +
assi (attr store1 < 6.609 and attr store1 > 6.509 )
     ((attr store1 < 6.588 and attr store1 > 6.528 ) and 
      (bondedto (attr store1 < 118.549722631  and attr store1 > 117.749722631 ) or 
       bondedto (attr store1 < 70.807  and attr store1 > 70.007 ) or 
       bondedto (attr store1 < 23.0642773688  and attr store1 > 22.2642773688 ))) 
6 0.1 0.1 peak 809 volume 508.82751 ppm1 6.558 ppm2 6.559
 
! ############### C13_CNnoesy_manual.810 folded +
assi (attr store1 < 2.566 and attr store1 > 2.466 )
     ((attr store1 < 2.545 and attr store1 > 2.485 ) and 
      (bondedto (attr store1 < 118.563722631  and attr store1 > 117.763722631 ) or 
       bondedto (attr store1 < 70.821  and attr store1 > 70.021 ) or 
       bondedto (attr store1 < 23.0782773688  and attr store1 > 22.2782773688 ))) 
6 0.1 0.1 peak 810 volume 29.94252 ppm1 2.515 ppm2 2.516
 
! ############### C13_CNnoesy_manual.811 folded +
assi (attr store1 < 2.187 and attr store1 > 2.087 )
     ((attr store1 < 2.172 and attr store1 > 2.112 ) and 
      (bondedto (attr store1 < 118.562722631  and attr store1 > 117.762722631 ) or 
       bondedto (attr store1 < 70.82  and attr store1 > 70.02 ) or 
       bondedto (attr store1 < 23.0772773688  and attr store1 > 22.2772773688 ))) 
6 0.1 0.1 peak 811 volume 53.05672 ppm1 2.142 ppm2 2.137
 
! ############### C13_CNnoesy_manual.812 folded -
assi (attr store1 < 2.076 and attr store1 > 1.976 )
     ((attr store1 < 2.079 and attr store1 > 2.019 ) and 
      (bondedto (attr store1 < 142.372083947  and attr store1 > 141.572083947 ) or 
       bondedto (attr store1 < 46.8866386844  and attr store1 > 46.0866386844 ))) 
6 0.1 0.1 peak 812 volume 15.16325 ppm1 2.049 ppm2 2.026
 
! ############### C13_CNnoesy_manual.813 folded +
assi (attr store1 < 7.358 and attr store1 > 7.258 )
     ((attr store1 < 7.335 and attr store1 > 7.275 ) and 
      (bondedto (attr store1 < 118.416722631  and attr store1 > 117.616722631 ) or 
       bondedto (attr store1 < 70.674  and attr store1 > 69.874 ) or 
       bondedto (attr store1 < 22.9312773688  and attr store1 > 22.1312773688 ))) 
6 0.1 0.1 peak 813 volume 21.69498 ppm1 7.305 ppm2 7.308
 
! ############### C13_CNnoesy_manual.814 folded +
assi (attr store1 < 6.444 and attr store1 > 6.344 )
     ((attr store1 < 6.587 and attr store1 > 6.527 ) and 
      (bondedto (attr store1 < 118.396722631  and attr store1 > 117.596722631 ) or 
       bondedto (attr store1 < 70.654  and attr store1 > 69.854 ) or 
       bondedto (attr store1 < 22.9112773688  and attr store1 > 22.1112773688 ))) 
6 0.1 0.1 peak 814 volume 8.98538 ppm1 6.557 ppm2 6.394
 
! ############### C13_CNnoesy_manual.815 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 6.589 and attr store1 > 6.529 ) and 
      (bondedto (attr store1 < 118.479722631  and attr store1 > 117.679722631 ) or 
       bondedto (attr store1 < 70.737  and attr store1 > 69.937 ) or 
       bondedto (attr store1 < 22.9942773688  and attr store1 > 22.1942773688 ))) 
6 0.1 0.1 peak 815 volume 20.27087 ppm1 6.559 ppm2 4.839
 
! ############### C13_CNnoesy_manual.816 folded +
assi (attr store1 < 3.339 and attr store1 > 3.239 )
     ((attr store1 < 6.588 and attr store1 > 6.528 ) and 
      (bondedto (attr store1 < 118.452722631  and attr store1 > 117.652722631 ) or 
       bondedto (attr store1 < 70.71  and attr store1 > 69.91 ) or 
       bondedto (attr store1 < 22.9672773688  and attr store1 > 22.1672773688 ))) 
6 0.1 0.1 peak 816 volume 7.46583 ppm1 6.558 ppm2 3.289
 
! ############### C13_CNnoesy_manual.817 folded +
assi (attr store1 < 3.065 and attr store1 > 2.965 )
     ((attr store1 < 6.59 and attr store1 > 6.53 ) and 
      (bondedto (attr store1 < 118.449722631  and attr store1 > 117.649722631 ) or 
       bondedto (attr store1 < 70.707  and attr store1 > 69.907 ) or 
       bondedto (attr store1 < 22.9642773688  and attr store1 > 22.1642773688 ))) 
6 0.1 0.1 peak 817 volume 6.49664 ppm1 6.560 ppm2 3.015
 
! ############### C13_CNnoesy_manual.818 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 3.908 and attr store1 > 3.848 ) and 
      (bondedto (attr store1 < 118.406722631  and attr store1 > 117.606722631 ) or 
       bondedto (attr store1 < 70.664  and attr store1 > 69.864 ) or 
       bondedto (attr store1 < 22.9212773688  and attr store1 > 22.1212773688 ))) 
6 0.1 0.1 peak 818 volume 55.62876 ppm1 3.878 ppm2 4.839
 
! ############### C13_CNnoesy_manual.819 folded +
assi (attr store1 < 4.21 and attr store1 > 4.11 )
     ((attr store1 < 3.908 and attr store1 > 3.848 ) and 
      (bondedto (attr store1 < 118.397722631  and attr store1 > 117.597722631 ) or 
       bondedto (attr store1 < 70.655  and attr store1 > 69.855 ) or 
       bondedto (attr store1 < 22.9122773688  and attr store1 > 22.1122773688 ))) 
6 0.1 0.1 peak 819 volume 66.60471 ppm1 3.878 ppm2 4.160
 
! ############### C13_CNnoesy_manual.820 folded +
assi (attr store1 < 3.928 and attr store1 > 3.828 )
     ((attr store1 < 3.908 and attr store1 > 3.848 ) and 
      (bondedto (attr store1 < 118.396722631  and attr store1 > 117.596722631 ) or 
       bondedto (attr store1 < 70.654  and attr store1 > 69.854 ) or 
       bondedto (attr store1 < 22.9112773688  and attr store1 > 22.1112773688 ))) 
6 0.1 0.1 peak 820 volume 835.72449 ppm1 3.878 ppm2 3.878
 
! ############### C13_CNnoesy_manual.821 folded +
assi (attr store1 < 3.761 and attr store1 > 3.661 )
     ((attr store1 < 3.91 and attr store1 > 3.85 ) and 
      (bondedto (attr store1 < 118.414722631  and attr store1 > 117.614722631 ) or 
       bondedto (attr store1 < 70.672  and attr store1 > 69.872 ) or 
       bondedto (attr store1 < 22.9292773688  and attr store1 > 22.1292773688 ))) 
6 0.1 0.1 peak 821 volume 9.64878 ppm1 3.880 ppm2 3.711
 
! ############### C13_CNnoesy_manual.822 folded +
assi (attr store1 < 0.915 and attr store1 > 0.815 )
     ((attr store1 < 3.909 and attr store1 > 3.849 ) and 
      (bondedto (attr store1 < 118.412722631  and attr store1 > 117.612722631 ) or 
       bondedto (attr store1 < 70.67  and attr store1 > 69.87 ) or 
       bondedto (attr store1 < 22.9272773688  and attr store1 > 22.1272773688 ))) 
6 0.1 0.1 peak 822 volume 84.08301 ppm1 3.879 ppm2 0.865
 
! ############### C13_CNnoesy_manual.823 folded +
assi (attr store1 < 8.765 and attr store1 > 8.665 )
     ((attr store1 < 1.272 and attr store1 > 1.212 ) and 
      (bondedto (attr store1 < 118.437722631  and attr store1 > 117.637722631 ) or 
       bondedto (attr store1 < 70.695  and attr store1 > 69.895 ) or 
       bondedto (attr store1 < 22.9522773688  and attr store1 > 22.1522773688 ))) 
6 0.1 0.1 peak 823 volume 10.88170 ppm1 1.242 ppm2 8.715
 
! ############### C13_CNnoesy_manual.824 folded +
assi (attr store1 < 7.853 and attr store1 > 7.753 )
     ((attr store1 < 1.269 and attr store1 > 1.209 ) and 
      (bondedto (attr store1 < 118.440722631  and attr store1 > 117.640722631 ) or 
       bondedto (attr store1 < 70.698  and attr store1 > 69.898 ) or 
       bondedto (attr store1 < 22.9552773688  and attr store1 > 22.1552773688 ))) 
6 0.1 0.1 peak 824 volume 5.97508 ppm1 1.239 ppm2 7.803
 
! ############### C13_CNnoesy_manual.825 folded +
assi (attr store1 < 3.932 and attr store1 > 3.832 )
     ((attr store1 < 0.895 and attr store1 > 0.835 ) and 
      (bondedto (attr store1 < 118.455722631  and attr store1 > 117.655722631 ) or 
       bondedto (attr store1 < 70.713  and attr store1 > 69.913 ) or 
       bondedto (attr store1 < 22.9702773688  and attr store1 > 22.1702773688 ))) 
6 0.1 0.1 peak 825 volume 70.14655 ppm1 0.865 ppm2 3.882
 
! ############### C13_CNnoesy_manual.826 folded +
assi (attr store1 < 1.036 and attr store1 > 0.936 )
     ((attr store1 < 1.349 and attr store1 > 1.289 ) and 
      (bondedto (attr store1 < 118.381722631  and attr store1 > 117.581722631 ) or 
       bondedto (attr store1 < 70.639  and attr store1 > 69.839 ) or 
       bondedto (attr store1 < 22.8962773688  and attr store1 > 22.0962773688 ))) 
6 0.1 0.1 peak 826 volume 9.58206 ppm1 1.319 ppm2 0.986
 
! ############### C13_CNnoesy_manual.827 folded +
assi (attr store1 < 7.361 and attr store1 > 7.261 )
     ((attr store1 < 1.272 and attr store1 > 1.212 ) and 
      (bondedto (attr store1 < 118.390722631  and attr store1 > 117.590722631 ) or 
       bondedto (attr store1 < 70.648  and attr store1 > 69.848 ) or 
       bondedto (attr store1 < 22.9052773688  and attr store1 > 22.1052773688 ))) 
6 0.1 0.1 peak 827 volume 21.65304 ppm1 1.242 ppm2 7.311
 
! ############### C13_CNnoesy_manual.828 folded +
assi (attr store1 < 7.173 and attr store1 > 7.073 )
     ((attr store1 < 1.273 and attr store1 > 1.213 ) and 
      (bondedto (attr store1 < 118.385722631  and attr store1 > 117.585722631 ) or 
       bondedto (attr store1 < 70.643  and attr store1 > 69.843 ) or 
       bondedto (attr store1 < 22.9002773688  and attr store1 > 22.1002773688 ))) 
6 0.1 0.1 peak 828 volume 107.36692 ppm1 1.243 ppm2 7.123
 
! ############### C13_CNnoesy_manual.829 folded +
assi (attr store1 < 4.354 and attr store1 > 4.254 )
     ((attr store1 < 1.273 and attr store1 > 1.213 ) and 
      (bondedto (attr store1 < 118.365722631  and attr store1 > 117.565722631 ) or 
       bondedto (attr store1 < 70.623  and attr store1 > 69.823 ) or 
       bondedto (attr store1 < 22.8802773688  and attr store1 > 22.0802773688 ))) 
6 0.1 0.1 peak 829 volume 53.58554 ppm1 1.243 ppm2 4.304
 
! ############### C13_CNnoesy_manual.830 folded +
assi (attr store1 < 4.044 and attr store1 > 3.944 )
     ((attr store1 < 1.272 and attr store1 > 1.212 ) and 
      (bondedto (attr store1 < 118.361722631  and attr store1 > 117.561722631 ) or 
       bondedto (attr store1 < 70.619  and attr store1 > 69.819 ) or 
       bondedto (attr store1 < 22.8762773688  and attr store1 > 22.0762773688 ))) 
6 0.1 0.1 peak 830 volume 7.42532 ppm1 1.242 ppm2 3.994
 
! ############### C13_CNnoesy_manual.831 folded +
assi (attr store1 < 3.781 and attr store1 > 3.681 )
     ((attr store1 < 1.273 and attr store1 > 1.213 ) and 
      (bondedto (attr store1 < 118.382722631  and attr store1 > 117.582722631 ) or 
       bondedto (attr store1 < 70.64  and attr store1 > 69.84 ) or 
       bondedto (attr store1 < 22.8972773688  and attr store1 > 22.0972773688 ))) 
6 0.1 0.1 peak 831 volume 125.94015 ppm1 1.243 ppm2 3.731
 
! ############### C13_CNnoesy_manual.832 folded +
assi (attr store1 < 2.319 and attr store1 > 2.219 )
     ((attr store1 < 1.273 and attr store1 > 1.213 ) and 
      (bondedto (attr store1 < 118.381722631  and attr store1 > 117.581722631 ) or 
       bondedto (attr store1 < 70.639  and attr store1 > 69.839 ) or 
       bondedto (attr store1 < 22.8962773688  and attr store1 > 22.0962773688 ))) 
6 0.1 0.1 peak 832 volume 169.53529 ppm1 1.243 ppm2 2.269
 
! ############### C13_CNnoesy_manual.833 folded +
assi (attr store1 < 2.038 and attr store1 > 1.938 )
     ((attr store1 < 1.271 and attr store1 > 1.211 ) and 
      (bondedto (attr store1 < 118.357722631  and attr store1 > 117.557722631 ) or 
       bondedto (attr store1 < 70.615  and attr store1 > 69.815 ) or 
       bondedto (attr store1 < 22.8722773688  and attr store1 > 22.0722773688 ))) 
6 0.1 0.1 peak 833 volume 19.75310 ppm1 1.241 ppm2 1.988
 
! ############### C13_CNnoesy_manual.834 folded +
assi (attr store1 < 1.832 and attr store1 > 1.732 )
     ((attr store1 < 1.271 and attr store1 > 1.211 ) and 
      (bondedto (attr store1 < 118.371722631  and attr store1 > 117.571722631 ) or 
       bondedto (attr store1 < 70.629  and attr store1 > 69.829 ) or 
       bondedto (attr store1 < 22.8862773688  and attr store1 > 22.0862773688 ))) 
6 0.1 0.1 peak 834 volume 30.55139 ppm1 1.241 ppm2 1.782
 
! ############### C13_CNnoesy_manual.835 folded +
assi (attr store1 < 1.664 and attr store1 > 1.564 )
     ((attr store1 < 1.271 and attr store1 > 1.211 ) and 
      (bondedto (attr store1 < 118.348722631  and attr store1 > 117.548722631 ) or 
       bondedto (attr store1 < 70.606  and attr store1 > 69.806 ) or 
       bondedto (attr store1 < 22.8632773688  and attr store1 > 22.0632773688 ))) 
6 0.1 0.1 peak 835 volume 20.81217 ppm1 1.241 ppm2 1.614
 
! ############### C13_CNnoesy_manual.836 folded +
assi (attr store1 < 1.565 and attr store1 > 1.465 )
     ((attr store1 < 1.268 and attr store1 > 1.208 ) and 
      (bondedto (attr store1 < 118.355722631  and attr store1 > 117.555722631 ) or 
       bondedto (attr store1 < 70.613  and attr store1 > 69.813 ) or 
       bondedto (attr store1 < 22.8702773688  and attr store1 > 22.0702773688 ))) 
6 0.1 0.1 peak 836 volume 25.47045 ppm1 1.238 ppm2 1.515
 
! ############### C13_CNnoesy_manual.837 folded +
assi (attr store1 < 1.458 and attr store1 > 1.358 )
     ((attr store1 < 1.271 and attr store1 > 1.211 ) and 
      (bondedto (attr store1 < 118.375722631  and attr store1 > 117.575722631 ) or 
       bondedto (attr store1 < 70.633  and attr store1 > 69.833 ) or 
       bondedto (attr store1 < 22.8902773688  and attr store1 > 22.0902773688 ))) 
6 0.1 0.1 peak 837 volume 74.50362 ppm1 1.241 ppm2 1.408
 
! ############### C13_CNnoesy_manual.838 folded +
assi (attr store1 < 1.293 and attr store1 > 1.193 )
     ((attr store1 < 1.273 and attr store1 > 1.213 ) and 
      (bondedto (attr store1 < 118.389722631  and attr store1 > 117.589722631 ) or 
       bondedto (attr store1 < 70.647  and attr store1 > 69.847 ) or 
       bondedto (attr store1 < 22.9042773688  and attr store1 > 22.1042773688 ))) 
6 0.1 0.1 peak 838 volume 4754.94531 ppm1 1.243 ppm2 1.243
 
! ############### C13_CNnoesy_manual.839 folded +
assi (attr store1 < 1.105 and attr store1 > 1.005 )
     ((attr store1 < 1.272 and attr store1 > 1.212 ) and 
      (bondedto (attr store1 < 118.382722631  and attr store1 > 117.582722631 ) or 
       bondedto (attr store1 < 70.64  and attr store1 > 69.84 ) or 
       bondedto (attr store1 < 22.8972773688  and attr store1 > 22.0972773688 ))) 
6 0.1 0.1 peak 839 volume 326.20392 ppm1 1.242 ppm2 1.055
 
! ############### C13_CNnoesy_manual.840 folded +
assi (attr store1 < 8.364 and attr store1 > 8.264 )
     ((attr store1 < 1.164 and attr store1 > 1.104 ) and 
      (bondedto (attr store1 < 118.227722631  and attr store1 > 117.427722631 ) or 
       bondedto (attr store1 < 70.485  and attr store1 > 69.685 ) or 
       bondedto (attr store1 < 22.7422773688  and attr store1 > 21.9422773688 ))) 
6 0.1 0.1 peak 840 volume 42.71856 ppm1 1.134 ppm2 8.314
 
! ############### C13_CNnoesy_manual.841 folded +
assi (attr store1 < 7.851 and attr store1 > 7.751 )
     ((attr store1 < 1.163 and attr store1 > 1.103 ) and 
      (bondedto (attr store1 < 118.246722631  and attr store1 > 117.446722631 ) or 
       bondedto (attr store1 < 70.504  and attr store1 > 69.704 ) or 
       bondedto (attr store1 < 22.7612773688  and attr store1 > 21.9612773688 ))) 
6 0.1 0.1 peak 841 volume 12.10717 ppm1 1.133 ppm2 7.801
 
! ############### C13_CNnoesy_manual.842 folded +
assi (attr store1 < 4.035 and attr store1 > 3.935 )
     ((attr store1 < 1.164 and attr store1 > 1.104 ) and 
      (bondedto (attr store1 < 118.212722631  and attr store1 > 117.412722631 ) or 
       bondedto (attr store1 < 70.47  and attr store1 > 69.67 ) or 
       bondedto (attr store1 < 22.7272773688  and attr store1 > 21.9272773688 ))) 
6 0.1 0.1 peak 842 volume 84.58778 ppm1 1.134 ppm2 3.985
 
! ############### C13_CNnoesy_manual.843 folded +
assi (attr store1 < 2.348 and attr store1 > 2.248 )
     ((attr store1 < 1.163 and attr store1 > 1.103 ) and 
      (bondedto (attr store1 < 118.207722631  and attr store1 > 117.407722631 ) or 
       bondedto (attr store1 < 70.465  and attr store1 > 69.665 ) or 
       bondedto (attr store1 < 22.7222773688  and attr store1 > 21.9222773688 ))) 
6 0.1 0.1 peak 843 volume 106.04691 ppm1 1.133 ppm2 2.298
 
! ############### C13_CNnoesy_manual.844 folded +
assi (attr store1 < 1.346 and attr store1 > 1.246 )
     ((attr store1 < 1.163 and attr store1 > 1.103 ) and 
      (bondedto (attr store1 < 118.253722631  and attr store1 > 117.453722631 ) or 
       bondedto (attr store1 < 70.511  and attr store1 > 69.711 ) or 
       bondedto (attr store1 < 22.7682773688  and attr store1 > 21.9682773688 ))) 
6 0.1 0.1 peak 844 volume 89.44647 ppm1 1.133 ppm2 1.296
 
! ############### C13_CNnoesy_manual.845 folded +
assi (attr store1 < 1.183 and attr store1 > 1.083 )
     ((attr store1 < 1.164 and attr store1 > 1.104 ) and 
      (bondedto (attr store1 < 118.220722631  and attr store1 > 117.420722631 ) or 
       bondedto (attr store1 < 70.478  and attr store1 > 69.678 ) or 
       bondedto (attr store1 < 22.7352773688  and attr store1 > 21.9352773688 ))) 
6 0.1 0.1 peak 845 volume 4544.28125 ppm1 1.134 ppm2 1.133
 
! ############### C13_CNnoesy_manual.846 folded +
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 1.16 and attr store1 > 1.1 ) and 
      (bondedto (attr store1 < 118.225722631  and attr store1 > 117.425722631 ) or 
       bondedto (attr store1 < 70.483  and attr store1 > 69.683 ) or 
       bondedto (attr store1 < 22.7402773688  and attr store1 > 21.9402773688 ))) 
6 0.1 0.1 peak 846 volume 28.17389 ppm1 1.130 ppm2 4.838
 
! ############### C13_CNnoesy_manual.847 folded +
assi (attr store1 < 0.818 and attr store1 > 0.718 )
     ((attr store1 < 1.158 and attr store1 > 1.098 ) and 
      (bondedto (attr store1 < 118.237722631  and attr store1 > 117.437722631 ) or 
       bondedto (attr store1 < 70.495  and attr store1 > 69.695 ) or 
       bondedto (attr store1 < 22.7522773688  and attr store1 > 21.9522773688 ))) 
6 0.1 0.1 peak 847 volume 9.21159 ppm1 1.128 ppm2 0.768
 
! ############### C13_CNnoesy_manual.848 folded -
assi (attr store1 < 1.083 and attr store1 > 0.983 )
     ((attr store1 < 1.076 and attr store1 > 1.016 ) and 
      (bondedto (attr store1 < 142.159083947  and attr store1 > 141.359083947 ) or 
       bondedto (attr store1 < 46.6736386844  and attr store1 > 45.8736386844 ))) 
6 0.1 0.1 peak 848 volume 214.49812 ppm1 1.046 ppm2 1.033
 
! ############### C13_CNnoesy_manual.849 folded -
assi (attr store1 < 1.054 and attr store1 > 0.954 )
     ((attr store1 < 1.036 and attr store1 > 0.976 ) and 
      (bondedto (attr store1 < 142.092083947  and attr store1 > 141.292083947 ) or 
       bondedto (attr store1 < 46.6066386844  and attr store1 > 45.8066386844 ))) 
6 0.1 0.1 peak 849 volume 230.36963 ppm1 1.006 ppm2 1.004
 
! ############### C13_CNnoesy_manual.850 folded +
assi (attr store1 < 1.513 and attr store1 > 1.413 )
     ((attr store1 < 1.503 and attr store1 > 1.443 ) and 
      (bondedto (attr store1 < 118.114722631  and attr store1 > 117.314722631 ) or 
       bondedto (attr store1 < 70.372  and attr store1 > 69.572 ) or 
       bondedto (attr store1 < 22.6292773688  and attr store1 > 21.8292773688 ))) 
6 0.1 0.1 peak 850 volume 60.35529 ppm1 1.473 ppm2 1.463
 
! ############### C13_CNnoesy_manual.851 folded +
assi (attr store1 < 4.416 and attr store1 > 4.316 )
     ((attr store1 < 1.166 and attr store1 > 1.106 ) and 
      (bondedto (attr store1 < 118.175722631  and attr store1 > 117.375722631 ) or 
       bondedto (attr store1 < 70.433  and attr store1 > 69.633 ) or 
       bondedto (attr store1 < 22.6902773688  and attr store1 > 21.8902773688 ))) 
6 0.1 0.1 peak 851 volume 6.71162 ppm1 1.136 ppm2 4.366
 
! ############### C13_CNnoesy_manual.852 folded +
assi (attr store1 < 4.208 and attr store1 > 4.108 )
     ((attr store1 < 1.164 and attr store1 > 1.104 ) and 
      (bondedto (attr store1 < 118.203722631  and attr store1 > 117.403722631 ) or 
       bondedto (attr store1 < 70.461  and attr store1 > 69.661 ) or 
       bondedto (attr store1 < 22.7182773688  and attr store1 > 21.9182773688 ))) 
6 0.1 0.1 peak 852 volume 48.09390 ppm1 1.134 ppm2 4.158
 
! ############### C13_CNnoesy_manual.853 folded +
assi (attr store1 < 3.864 and attr store1 > 3.764 )
     ((attr store1 < 1.166 and attr store1 > 1.106 ) and 
      (bondedto (attr store1 < 118.150722631  and attr store1 > 117.350722631 ) or 
       bondedto (attr store1 < 70.408  and attr store1 > 69.608 ) or 
       bondedto (attr store1 < 22.6652773688  and attr store1 > 21.8652773688 ))) 
6 0.1 0.1 peak 853 volume 6.03948 ppm1 1.136 ppm2 3.814
 
! ############### C13_CNnoesy_manual.854 folded +
assi (attr store1 < 3.089 and attr store1 > 2.989 )
     ((attr store1 < 1.168 and attr store1 > 1.108 ) and 
      (bondedto (attr store1 < 118.164722631  and attr store1 > 117.364722631 ) or 
       bondedto (attr store1 < 70.422  and attr store1 > 69.622 ) or 
       bondedto (attr store1 < 22.6792773688  and attr store1 > 21.8792773688 ))) 
6 0.1 0.1 peak 854 volume 12.48027 ppm1 1.138 ppm2 3.039
 
! ############### C13_CNnoesy_manual.855 folded +
assi (attr store1 < 2.661 and attr store1 > 2.561 )
     ((attr store1 < 1.167 and attr store1 > 1.107 ) and 
      (bondedto (attr store1 < 118.166722631  and attr store1 > 117.366722631 ) or 
       bondedto (attr store1 < 70.424  and attr store1 > 69.624 ) or 
       bondedto (attr store1 < 22.6812773688  and attr store1 > 21.8812773688 ))) 
6 0.1 0.1 peak 855 volume 14.45540 ppm1 1.137 ppm2 2.611
 
! ############### C13_CNnoesy_manual.856 folded +
assi (attr store1 < 2.036 and attr store1 > 1.936 )
     ((attr store1 < 1.168 and attr store1 > 1.108 ) and 
      (bondedto (attr store1 < 118.147722631  and attr store1 > 117.347722631 ) or 
       bondedto (attr store1 < 70.405  and attr store1 > 69.605 ) or 
       bondedto (attr store1 < 22.6622773688  and attr store1 > 21.8622773688 ))) 
6 0.1 0.1 peak 856 volume 7.50861 ppm1 1.138 ppm2 1.986
 
! ############### C13_CNnoesy_manual.857 folded +
assi (attr store1 < 1.758 and attr store1 > 1.658 )
     ((attr store1 < 1.165 and attr store1 > 1.105 ) and 
      (bondedto (attr store1 < 118.157722631  and attr store1 > 117.357722631 ) or 
       bondedto (attr store1 < 70.415  and attr store1 > 69.615 ) or 
       bondedto (attr store1 < 22.6722773688  and attr store1 > 21.8722773688 ))) 
6 0.1 0.1 peak 857 volume 18.45456 ppm1 1.135 ppm2 1.708
 
! ############### C13_CNnoesy_manual.858 folded +
assi (attr store1 < 1.656 and attr store1 > 1.556 )
     ((attr store1 < 1.164 and attr store1 > 1.104 ) and 
      (bondedto (attr store1 < 118.164722631  and attr store1 > 117.364722631 ) or 
       bondedto (attr store1 < 70.422  and attr store1 > 69.622 ) or 
       bondedto (attr store1 < 22.6792773688  and attr store1 > 21.8792773688 ))) 
6 0.1 0.1 peak 858 volume 18.41683 ppm1 1.134 ppm2 1.606
 
! ############### C13_CNnoesy_manual.859 folded +
assi (attr store1 < 1.575 and attr store1 > 1.475 )
     ((attr store1 < 1.164 and attr store1 > 1.104 ) and 
      (bondedto (attr store1 < 118.173722631  and attr store1 > 117.373722631 ) or 
       bondedto (attr store1 < 70.431  and attr store1 > 69.631 ) or 
       bondedto (attr store1 < 22.6882773688  and attr store1 > 21.8882773688 ))) 
6 0.1 0.1 peak 859 volume 16.94568 ppm1 1.134 ppm2 1.525
 
! ############### C13_CNnoesy_manual.860 folded +
assi (attr store1 < 1.448 and attr store1 > 1.348 )
     ((attr store1 < 1.163 and attr store1 > 1.103 ) and 
      (bondedto (attr store1 < 118.177722631  and attr store1 > 117.377722631 ) or 
       bondedto (attr store1 < 70.435  and attr store1 > 69.635 ) or 
       bondedto (attr store1 < 22.6922773688  and attr store1 > 21.8922773688 ))) 
6 0.1 0.1 peak 860 volume 29.50492 ppm1 1.133 ppm2 1.398
 
! ############### C13_CNnoesy_manual.861 folded +
assi (attr store1 < 0.912 and attr store1 > 0.812 )
     ((attr store1 < 1.163 and attr store1 > 1.103 ) and 
      (bondedto (attr store1 < 118.174722631  and attr store1 > 117.374722631 ) or 
       bondedto (attr store1 < 70.432  and attr store1 > 69.632 ) or 
       bondedto (attr store1 < 22.6892773688  and attr store1 > 21.8892773688 ))) 
6 0.1 0.1 peak 861 volume 23.07947 ppm1 1.133 ppm2 0.862
 
! ############### C13_CNnoesy_manual.862 folded +
assi (attr store1 < 8.228 and attr store1 > 8.128 )
     ((attr store1 < 8.206 and attr store1 > 8.146 ) and 
      (bondedto (attr store1 < 118.075722631  and attr store1 > 117.275722631 ) or 
       bondedto (attr store1 < 70.333  and attr store1 > 69.533 ) or 
       bondedto (attr store1 < 22.5902773688  and attr store1 > 21.7902773688 ))) 
6 0.1 0.1 peak 862 volume 9.70032 ppm1 8.176 ppm2 8.178
 
! ############### C13_CNnoesy_manual.863 folded +
assi (attr store1 < 4.339 and attr store1 > 4.239 )
     ((attr store1 < 4.321 and attr store1 > 4.261 ) and 
      (bondedto (attr store1 < 118.041722631  and attr store1 > 117.241722631 ) or 
       bondedto (attr store1 < 70.299  and attr store1 > 69.499 ) or 
       bondedto (attr store1 < 22.5562773688  and attr store1 > 21.7562773688 ))) 
6 0.1 0.1 peak 863 volume 184.99338 ppm1 4.291 ppm2 4.289
 
! ############### C13_CNnoesy_manual.864 folded +
assi (attr store1 < 4.299 and attr store1 > 4.199 )
     ((attr store1 < 4.278 and attr store1 > 4.218 ) and 
      (bondedto (attr store1 < 118.081722631  and attr store1 > 117.281722631 ) or 
       bondedto (attr store1 < 70.339  and attr store1 > 69.539 ) or 
       bondedto (attr store1 < 22.5962773688  and attr store1 > 21.7962773688 ))) 
6 0.1 0.1 peak 864 volume 185.47496 ppm1 4.248 ppm2 4.249
 
! ############### C13_CNnoesy_manual.865 folded +
assi (attr store1 < 3.124 and attr store1 > 3.024 )
     ((attr store1 < 3.103 and attr store1 > 3.043 ) and 
      (bondedto (attr store1 < 118.072722631  and attr store1 > 117.272722631 ) or 
       bondedto (attr store1 < 70.33  and attr store1 > 69.53 ) or 
       bondedto (attr store1 < 22.5872773688  and attr store1 > 21.7872773688 ))) 
6 0.1 0.1 peak 865 volume 65.60118 ppm1 3.073 ppm2 3.074
 
! ############### C13_CNnoesy_manual.866 folded +
assi (attr store1 < 3.091 and attr store1 > 2.991 )
     ((attr store1 < 3.063 and attr store1 > 3.003 ) and 
      (bondedto (attr store1 < 118.030722631  and attr store1 > 117.230722631 ) or 
       bondedto (attr store1 < 70.288  and attr store1 > 69.488 ) or 
       bondedto (attr store1 < 22.5452773688  and attr store1 > 21.7452773688 ))) 
6 0.1 0.1 peak 866 volume 30.08564 ppm1 3.033 ppm2 3.041
 
! ############### C13_CNnoesy_manual.867 folded +
assi (attr store1 < 3.012 and attr store1 > 2.912 )
     ((attr store1 < 3.003 and attr store1 > 2.943 ) and 
      (bondedto (attr store1 < 118.060722631  and attr store1 > 117.260722631 ) or 
       bondedto (attr store1 < 70.318  and attr store1 > 69.518 ) or 
       bondedto (attr store1 < 22.5752773688  and attr store1 > 21.7752773688 ))) 
6 0.1 0.1 peak 867 volume 6.26697 ppm1 2.973 ppm2 2.962
 
! ############### C13_CNnoesy_manual.868 folded +
assi (attr store1 < 1.812 and attr store1 > 1.712 )
     ((attr store1 < 1.792 and attr store1 > 1.732 ) and 
      (bondedto (attr store1 < 118.056722631  and attr store1 > 117.256722631 ) or 
       bondedto (attr store1 < 70.314  and attr store1 > 69.514 ) or 
       bondedto (attr store1 < 22.5712773688  and attr store1 > 21.7712773688 ))) 
6 0.1 0.1 peak 868 volume 77.00488 ppm1 1.762 ppm2 1.762
 
! ############### C13_CNnoesy_manual.869 folded -
assi (attr store1 < 3.207 and attr store1 > 3.107 )
     ((attr store1 < 4.133 and attr store1 > 4.073 ) and 
      (bondedto (attr store1 < 141.902083947  and attr store1 > 141.102083947 ) or 
       bondedto (attr store1 < 46.4166386844  and attr store1 > 45.6166386844 ))) 
6 0.1 0.1 peak 869 volume 6.24219 ppm1 4.103 ppm2 3.157
 
! ############### C13_CNnoesy_manual.870 folded -
assi (attr store1 < 3.328 and attr store1 > 3.228 )
     ((attr store1 < 3.308 and attr store1 > 3.248 ) and 
      (bondedto (attr store1 < 141.948083947  and attr store1 > 141.148083947 ) or 
       bondedto (attr store1 < 46.4626386844  and attr store1 > 45.6626386844 ))) 
6 0.1 0.1 peak 870 volume 35.83109 ppm1 3.278 ppm2 3.278
 
! ############### C13_CNnoesy_manual.871 folded -
assi (attr store1 < 2.434 and attr store1 > 2.334 )
     ((attr store1 < 2.421 and attr store1 > 2.361 ) and 
      (bondedto (attr store1 < 141.896083947  and attr store1 > 141.096083947 ) or 
       bondedto (attr store1 < 46.4106386844  and attr store1 > 45.6106386844 ))) 
6 0.1 0.1 peak 871 volume 6.10146 ppm1 2.391 ppm2 2.384
 
! ############### C13_CNnoesy_manual.872 folded -
assi (attr store1 < 2.392 and attr store1 > 2.292 )
     ((attr store1 < 2.374 and attr store1 > 2.314 ) and 
      (bondedto (attr store1 < 141.897083947  and attr store1 > 141.097083947 ) or 
       bondedto (attr store1 < 46.4116386844  and attr store1 > 45.6116386844 ))) 
6 0.1 0.1 peak 872 volume 6.64805 ppm1 2.344 ppm2 2.342
 
! ############### C13_CNnoesy_manual.873 folded -
assi (attr store1 < 2.248 and attr store1 > 2.148 )
     ((attr store1 < 2.211 and attr store1 > 2.151 ) and 
      (bondedto (attr store1 < 141.982083947  and attr store1 > 141.182083947 ) or 
       bondedto (attr store1 < 46.4966386844  and attr store1 > 45.6966386844 ))) 
6 0.1 0.1 peak 873 volume 17.16414 ppm1 2.181 ppm2 2.198
 
! ############### C13_CNnoesy_manual.874 folded -
assi (attr store1 < 2.157 and attr store1 > 2.057 )
     ((attr store1 < 2.144 and attr store1 > 2.084 ) and 
      (bondedto (attr store1 < 141.979083947  and attr store1 > 141.179083947 ) or 
       bondedto (attr store1 < 46.4936386844  and attr store1 > 45.6936386844 ))) 
6 0.1 0.1 peak 874 volume 7.40925 ppm1 2.114 ppm2 2.107
 
! ############### C13_CNnoesy_manual.875 folded -
assi (attr store1 < 1.713 and attr store1 > 1.613 )
     ((attr store1 < 1.7 and attr store1 > 1.64 ) and 
      (bondedto (attr store1 < 141.909083947  and attr store1 > 141.109083947 ) or 
       bondedto (attr store1 < 46.4236386844  and attr store1 > 45.6236386844 ))) 
6 0.1 0.1 peak 875 volume 31.21439 ppm1 1.670 ppm2 1.663
 
! ############### C13_CNnoesy_manual.876 folded -
assi (attr store1 < 0.801 and attr store1 > 0.701 )
     ((attr store1 < 0.783 and attr store1 > 0.723 ) and 
      (bondedto (attr store1 < 141.932083947  and attr store1 > 141.132083947 ) or 
       bondedto (attr store1 < 46.4466386844  and attr store1 > 45.6466386844 ))) 
6 0.1 0.1 peak 876 volume 110.02758 ppm1 0.753 ppm2 0.751
 
! ############### C13_CNnoesy_manual.877 folded +
assi (attr store1 < 7.154 and attr store1 > 7.054 )
     ((attr store1 < 7.128 and attr store1 > 7.068 ) and 
      (bondedto (attr store1 < 117.971722631  and attr store1 > 117.171722631 ) or 
       bondedto (attr store1 < 70.229  and attr store1 > 69.429 ) or 
       bondedto (attr store1 < 22.4862773688  and attr store1 > 21.6862773688 ))) 
6 0.1 0.1 peak 877 volume 20.30068 ppm1 7.098 ppm2 7.104
 
! ############### C13_CNnoesy_manual.878 folded +
assi (attr store1 < 4.351 and attr store1 > 4.251 )
     ((attr store1 < 1.321 and attr store1 > 1.261 ) and 
      (bondedto (attr store1 < 117.929722631  and attr store1 > 117.129722631 ) or 
       bondedto (attr store1 < 70.187  and attr store1 > 69.387 ) or 
       bondedto (attr store1 < 22.4442773688  and attr store1 > 21.6442773688 ))) 
6 0.1 0.1 peak 878 volume 15.75189 ppm1 1.291 ppm2 4.301
 
! ############### C13_CNnoesy_manual.879 folded +
assi (attr store1 < 9.629 and attr store1 > 9.529 )
     ((attr store1 < 0.919 and attr store1 > 0.859 ) and 
      (bondedto (attr store1 < 117.958722631  and attr store1 > 117.158722631 ) or 
       bondedto (attr store1 < 70.216  and attr store1 > 69.416 ) or 
       bondedto (attr store1 < 22.4732773688  and attr store1 > 21.6732773688 ))) 
6 0.1 0.1 peak 879 volume 12.68597 ppm1 0.889 ppm2 9.579
 
! ############### C13_CNnoesy_manual.880 folded +
assi (attr store1 < 8.204 and attr store1 > 8.104 )
     ((attr store1 < 0.919 and attr store1 > 0.859 ) and 
      (bondedto (attr store1 < 117.926722631  and attr store1 > 117.126722631 ) or 
       bondedto (attr store1 < 70.184  and attr store1 > 69.384 ) or 
       bondedto (attr store1 < 22.4412773688  and attr store1 > 21.6412773688 ))) 
6 0.1 0.1 peak 880 volume 19.42936 ppm1 0.889 ppm2 8.154
 
! ############### C13_CNnoesy_manual.881 folded +
assi (attr store1 < 7.679 and attr store1 > 7.579 )
     ((attr store1 < 0.919 and attr store1 > 0.859 ) and 
      (bondedto (attr store1 < 117.930722631  and attr store1 > 117.130722631 ) or 
       bondedto (attr store1 < 70.188  and attr store1 > 69.388 ) or 
       bondedto (attr store1 < 22.4452773688  and attr store1 > 21.6452773688 ))) 
6 0.1 0.1 peak 881 volume 34.15829 ppm1 0.889 ppm2 7.629
 
! ############### C13_CNnoesy_manual.882 folded +
assi (attr store1 < 7.386 and attr store1 > 7.286 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 117.947722631  and attr store1 > 117.147722631 ) or 
       bondedto (attr store1 < 70.205  and attr store1 > 69.405 ) or 
       bondedto (attr store1 < 22.4622773688  and attr store1 > 21.6622773688 ))) 
6 0.1 0.1 peak 882 volume 7.55074 ppm1 0.888 ppm2 7.336
 
! ############### C13_CNnoesy_manual.883 folded +
assi (attr store1 < 4.236 and attr store1 > 4.136 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 117.929722631  and attr store1 > 117.129722631 ) or 
       bondedto (attr store1 < 70.187  and attr store1 > 69.387 ) or 
       bondedto (attr store1 < 22.4442773688  and attr store1 > 21.6442773688 ))) 
6 0.1 0.1 peak 883 volume 51.81711 ppm1 0.888 ppm2 4.186
 
! ############### C13_CNnoesy_manual.884 folded +
assi (attr store1 < 1.431 and attr store1 > 1.331 )
     ((attr store1 < 0.917 and attr store1 > 0.857 ) and 
      (bondedto (attr store1 < 117.933722631  and attr store1 > 117.133722631 ) or 
       bondedto (attr store1 < 70.191  and attr store1 > 69.391 ) or 
       bondedto (attr store1 < 22.4482773688  and attr store1 > 21.6482773688 ))) 
6 0.1 0.1 peak 884 volume 87.22990 ppm1 0.887 ppm2 1.381
 
! ############### C13_CNnoesy_manual.885 folded +
assi (attr store1 < 1.109 and attr store1 > 1.009 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 117.937722631  and attr store1 > 117.137722631 ) or 
       bondedto (attr store1 < 70.195  and attr store1 > 69.395 ) or 
       bondedto (attr store1 < 22.4522773688  and attr store1 > 21.6522773688 ))) 
6 0.1 0.1 peak 885 volume 71.98665 ppm1 0.888 ppm2 1.059
 
! ############### C13_CNnoesy_manual.886 folded +
assi (attr store1 < 0.938 and attr store1 > 0.838 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 117.927722631  and attr store1 > 117.127722631 ) or 
       bondedto (attr store1 < 70.185  and attr store1 > 69.385 ) or 
       bondedto (attr store1 < 22.4422773688  and attr store1 > 21.6422773688 ))) 
6 0.1 0.1 peak 886 volume 3025.15527 ppm1 0.888 ppm2 0.888
 
! ############### C13_CNnoesy_manual.887 folded +
assi (attr store1 < 0.777 and attr store1 > 0.677 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 117.924722631  and attr store1 > 117.124722631 ) or 
       bondedto (attr store1 < 70.182  and attr store1 > 69.382 ) or 
       bondedto (attr store1 < 22.4392773688  and attr store1 > 21.6392773688 ))) 
6 0.1 0.1 peak 887 volume 94.51231 ppm1 0.888 ppm2 0.727
 
! ############### C13_CNnoesy_manual.888 folded +
assi (attr store1 < 0.672 and attr store1 > 0.572 )
     ((attr store1 < 0.914 and attr store1 > 0.854 ) and 
      (bondedto (attr store1 < 117.937722631  and attr store1 > 117.137722631 ) or 
       bondedto (attr store1 < 70.195  and attr store1 > 69.395 ) or 
       bondedto (attr store1 < 22.4522773688  and attr store1 > 21.6522773688 ))) 
6 0.1 0.1 peak 888 volume 19.26196 ppm1 0.884 ppm2 0.622
 
! ############### C13_CNnoesy_manual.889 folded -
assi (attr store1 < 4.598 and attr store1 > 4.498 )
     ((attr store1 < 4.134 and attr store1 > 4.074 ) and 
      (bondedto (attr store1 < 141.828083947  and attr store1 > 141.028083947 ) or 
       bondedto (attr store1 < 46.3426386844  and attr store1 > 45.5426386844 ))) 
6 0.1 0.1 peak 889 volume 7.01334 ppm1 4.104 ppm2 4.548
 
! ############### C13_CNnoesy_manual.890 folded -
assi (attr store1 < 8.28 and attr store1 > 8.18 )
     ((attr store1 < 4.128 and attr store1 > 4.068 ) and 
      (bondedto (attr store1 < 141.878083947  and attr store1 > 141.078083947 ) or 
       bondedto (attr store1 < 46.3926386844  and attr store1 > 45.5926386844 ))) 
6 0.1 0.1 peak 890 volume 11.66348 ppm1 4.098 ppm2 8.230
 
! ############### C13_CNnoesy_manual.891 folded -
assi (attr store1 < 4.887 and attr store1 > 4.787 )
     ((attr store1 < 4.128 and attr store1 > 4.068 ) and 
      (bondedto (attr store1 < 141.887083947  and attr store1 > 141.087083947 ) or 
       bondedto (attr store1 < 46.4016386844  and attr store1 > 45.6016386844 ))) 
6 0.1 0.1 peak 891 volume 55.26963 ppm1 4.098 ppm2 4.837
 
! ############### C13_CNnoesy_manual.892 folded -
assi (attr store1 < 4.149 and attr store1 > 4.049 )
     ((attr store1 < 4.129 and attr store1 > 4.069 ) and 
      (bondedto (attr store1 < 141.886083947  and attr store1 > 141.086083947 ) or 
       bondedto (attr store1 < 46.4006386844  and attr store1 > 45.6006386844 ))) 
6 0.1 0.1 peak 892 volume 1138.01392 ppm1 4.099 ppm2 4.099
 
! ############### C13_CNnoesy_manual.893 folded -
assi (attr store1 < 1.08 and attr store1 > 0.98 )
     ((attr store1 < 4.125 and attr store1 > 4.065 ) and 
      (bondedto (attr store1 < 141.863083947  and attr store1 > 141.063083947 ) or 
       bondedto (attr store1 < 46.3776386844  and attr store1 > 45.5776386844 ))) 
6 0.1 0.1 peak 893 volume 8.59727 ppm1 4.095 ppm2 1.030
 
! ############### C13_CNnoesy_manual.894 folded -
assi (attr store1 < 3.404 and attr store1 > 3.304 )
     ((attr store1 < 3.391 and attr store1 > 3.331 ) and 
      (bondedto (attr store1 < 141.878083947  and attr store1 > 141.078083947 ) or 
       bondedto (attr store1 < 46.3926386844  and attr store1 > 45.5926386844 ))) 
6 0.1 0.1 peak 894 volume 15.78974 ppm1 3.361 ppm2 3.354
 
! ############### C13_CNnoesy_manual.895 folded -
assi (attr store1 < 3.2 and attr store1 > 3.1 )
     ((attr store1 < 3.179 and attr store1 > 3.119 ) and 
      (bondedto (attr store1 < 141.799083947  and attr store1 > 140.999083947 ) or 
       bondedto (attr store1 < 46.3136386844  and attr store1 > 45.5136386844 ))) 
6 0.1 0.1 peak 895 volume 7.24127 ppm1 3.149 ppm2 3.150
 
! ############### C13_CNnoesy_manual.896 folded -
assi (attr store1 < 1.431 and attr store1 > 1.331 )
     ((attr store1 < 1.409 and attr store1 > 1.349 ) and 
      (bondedto (attr store1 < 141.817083947  and attr store1 > 141.017083947 ) or 
       bondedto (attr store1 < 46.3316386844  and attr store1 > 45.5316386844 ))) 
6 0.1 0.1 peak 896 volume 74.58338 ppm1 1.379 ppm2 1.381
 
! ############### C13_CNnoesy_manual.897 folded +
assi (attr store1 < 7.511 and attr store1 > 7.411 )
     ((attr store1 < 7.489 and attr store1 > 7.429 ) and 
      (bondedto (attr store1 < 117.885722631  and attr store1 > 117.085722631 ) or 
       bondedto (attr store1 < 70.143  and attr store1 > 69.343 ) or 
       bondedto (attr store1 < 22.4002773688  and attr store1 > 21.6002773688 ))) 
6 0.1 0.1 peak 897 volume 7.84313 ppm1 7.459 ppm2 7.461
 
! ############### C13_CNnoesy_manual.898 folded +
assi (attr store1 < 1.332 and attr store1 > 1.232 )
     ((attr store1 < 4.326 and attr store1 > 4.266 ) and 
      (bondedto (attr store1 < 117.865722631  and attr store1 > 117.065722631 ) or 
       bondedto (attr store1 < 70.123  and attr store1 > 69.323 ) or 
       bondedto (attr store1 < 22.3802773688  and attr store1 > 21.5802773688 ))) 
6 0.1 0.1 peak 898 volume 12.55010 ppm1 4.296 ppm2 1.282
 
! ############### C13_CNnoesy_manual.899 folded +
assi (attr store1 < 2.943 and attr store1 > 2.843 )
     ((attr store1 < 2.931 and attr store1 > 2.871 ) and 
      (bondedto (attr store1 < 117.918722631  and attr store1 > 117.118722631 ) or 
       bondedto (attr store1 < 70.176  and attr store1 > 69.376 ) or 
       bondedto (attr store1 < 22.4332773688  and attr store1 > 21.6332773688 ))) 
6 0.1 0.1 peak 899 volume 20.85646 ppm1 2.901 ppm2 2.893
 
! ############### C13_CNnoesy_manual.900 folded +
assi (attr store1 < 2.509 and attr store1 > 2.409 )
     ((attr store1 < 2.489 and attr store1 > 2.429 ) and 
      (bondedto (attr store1 < 117.853722631  and attr store1 > 117.053722631 ) or 
       bondedto (attr store1 < 70.111  and attr store1 > 69.311 ) or 
       bondedto (attr store1 < 22.3682773688  and attr store1 > 21.5682773688 ))) 
6 0.1 0.1 peak 900 volume 50.44624 ppm1 2.459 ppm2 2.459
 
! ############### C13_CNnoesy_manual.901 folded +
assi (attr store1 < 9.301 and attr store1 > 9.201 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 117.915722631  and attr store1 > 117.115722631 ) or 
       bondedto (attr store1 < 70.173  and attr store1 > 69.373 ) or 
       bondedto (attr store1 < 22.4302773688  and attr store1 > 21.6302773688 ))) 
6 0.1 0.1 peak 901 volume 22.89679 ppm1 0.888 ppm2 9.251
 
! ############### C13_CNnoesy_manual.902 folded +
assi (attr store1 < 7.851 and attr store1 > 7.751 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 117.913722631  and attr store1 > 117.113722631 ) or 
       bondedto (attr store1 < 70.171  and attr store1 > 69.371 ) or 
       bondedto (attr store1 < 22.4282773688  and attr store1 > 21.6282773688 ))) 
6 0.1 0.1 peak 902 volume 9.64209 ppm1 0.888 ppm2 7.801
 
! ############### C13_CNnoesy_manual.903 folded +
assi (attr store1 < 4.872 and attr store1 > 4.772 )
     ((attr store1 < 0.915 and attr store1 > 0.855 ) and 
      (bondedto (attr store1 < 117.901722631  and attr store1 > 117.101722631 ) or 
       bondedto (attr store1 < 70.159  and attr store1 > 69.359 ) or 
       bondedto (attr store1 < 22.4162773688  and attr store1 > 21.6162773688 ))) 
6 0.1 0.1 peak 903 volume 21.92843 ppm1 0.885 ppm2 4.822
 
! ############### C13_CNnoesy_manual.904 folded +
assi (attr store1 < 4.635 and attr store1 > 4.535 )
     ((attr store1 < 0.919 and attr store1 > 0.859 ) and 
      (bondedto (attr store1 < 117.879722631  and attr store1 > 117.079722631 ) or 
       bondedto (attr store1 < 70.137  and attr store1 > 69.337 ) or 
       bondedto (attr store1 < 22.3942773688  and attr store1 > 21.5942773688 ))) 
6 0.1 0.1 peak 904 volume 5.75798 ppm1 0.889 ppm2 4.585
 
! ############### C13_CNnoesy_manual.905 folded +
assi (attr store1 < 3.865 and attr store1 > 3.765 )
     ((attr store1 < 0.919 and attr store1 > 0.859 ) and 
      (bondedto (attr store1 < 117.909722631  and attr store1 > 117.109722631 ) or 
       bondedto (attr store1 < 70.167  and attr store1 > 69.367 ) or 
       bondedto (attr store1 < 22.4242773688  and attr store1 > 21.6242773688 ))) 
6 0.1 0.1 peak 905 volume 33.66860 ppm1 0.889 ppm2 3.815
 
! ############### C13_CNnoesy_manual.906 folded +
assi (attr store1 < 2.302 and attr store1 > 2.202 )
     ((attr store1 < 0.919 and attr store1 > 0.859 ) and 
      (bondedto (attr store1 < 117.902722631  and attr store1 > 117.102722631 ) or 
       bondedto (attr store1 < 70.16  and attr store1 > 69.36 ) or 
       bondedto (attr store1 < 22.4172773688  and attr store1 > 21.6172773688 ))) 
6 0.1 0.1 peak 906 volume 34.07030 ppm1 0.889 ppm2 2.252
 
! ############### C13_CNnoesy_manual.907 folded +
assi (attr store1 < 1.942 and attr store1 > 1.842 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 117.916722631  and attr store1 > 117.116722631 ) or 
       bondedto (attr store1 < 70.174  and attr store1 > 69.374 ) or 
       bondedto (attr store1 < 22.4312773688  and attr store1 > 21.6312773688 ))) 
6 0.1 0.1 peak 907 volume 90.31248 ppm1 0.888 ppm2 1.892
 
! ############### C13_CNnoesy_manual.908 folded +
assi (attr store1 < 0.145 and attr store1 > 0.045 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 117.905722631  and attr store1 > 117.105722631 ) or 
       bondedto (attr store1 < 70.163  and attr store1 > 69.363 ) or 
       bondedto (attr store1 < 22.4202773688  and attr store1 > 21.6202773688 ))) 
6 0.1 0.1 peak 908 volume 27.93967 ppm1 0.888 ppm2 0.095
 
! ############### C13_CNnoesy_manual.909 folded -
assi (attr store1 < 2.108 and attr store1 > 2.008 )
     ((attr store1 < 2.46 and attr store1 > 2.4 ) and 
      (bondedto (attr store1 < 141.683083947  and attr store1 > 140.883083947 ) or 
       bondedto (attr store1 < 46.1976386844  and attr store1 > 45.3976386844 ))) 
6 0.1 0.1 peak 909 volume 9.79242 ppm1 2.430 ppm2 2.058
 
! ############### C13_CNnoesy_manual.910 folded -
assi (attr store1 < 2.483 and attr store1 > 2.383 )
     ((attr store1 < 2.071 and attr store1 > 2.011 ) and 
      (bondedto (attr store1 < 141.693083947  and attr store1 > 140.893083947 ) or 
       bondedto (attr store1 < 46.2076386844  and attr store1 > 45.4076386844 ))) 
6 0.1 0.1 peak 910 volume 7.51392 ppm1 2.041 ppm2 2.433
 
! ############### C13_CNnoesy_manual.911 folded +
assi (attr store1 < 7.73 and attr store1 > 7.63 )
     ((attr store1 < 7.708 and attr store1 > 7.648 ) and 
      (bondedto (attr store1 < 117.659722631  and attr store1 > 116.859722631 ) or 
       bondedto (attr store1 < 69.917  and attr store1 > 69.117 ) or 
       bondedto (attr store1 < 22.1742773688  and attr store1 > 21.3742773688 ))) 
6 0.1 0.1 peak 911 volume 7.66421 ppm1 7.678 ppm2 7.680
 
! ############### C13_CNnoesy_manual.912 folded -
assi (attr store1 < 4.385 and attr store1 > 4.285 )
     ((attr store1 < 7.982 and attr store1 > 7.922 ) and 
      (bondedto (attr store1 < 141.516083947  and attr store1 > 140.716083947 ) or 
       bondedto (attr store1 < 46.0306386844  and attr store1 > 45.2306386844 ))) 
6 0.1 0.1 peak 912 volume 7.13773 ppm1 7.952 ppm2 4.335
 
! ############### C13_CNnoesy_manual.913 folded -
assi (attr store1 < 3.963 and attr store1 > 3.863 )
     ((attr store1 < 7.983 and attr store1 > 7.923 ) and 
      (bondedto (attr store1 < 141.553083947  and attr store1 > 140.753083947 ) or 
       bondedto (attr store1 < 46.0676386844  and attr store1 > 45.2676386844 ))) 
6 0.1 0.1 peak 913 volume 5.81669 ppm1 7.953 ppm2 3.913
 
! ############### C13_CNnoesy_manual.914 folded -
assi (attr store1 < 4.091 and attr store1 > 3.991 )
     ((attr store1 < 4.073 and attr store1 > 4.013 ) and 
      (bondedto (attr store1 < 141.563083947  and attr store1 > 140.763083947 ) or 
       bondedto (attr store1 < 46.0776386844  and attr store1 > 45.2776386844 ))) 
6 0.1 0.1 peak 914 volume 410.7233 ppm1 4.043 ppm2 4.041
 
! ############### C13_CNnoesy_manual.915 folded -
assi (attr store1 < 3.988 and attr store1 > 3.888 )
     ((attr store1 < 4.019 and attr store1 > 3.959 ) and 
      (bondedto (attr store1 < 141.555083947  and attr store1 > 140.755083947 ) or 
       bondedto (attr store1 < 46.0696386844  and attr store1 > 45.2696386844 ))) 
6 0.1 0.1 peak 915 volume 37.72119 ppm1 3.989 ppm2 3.938
 
! ############### C13_CNnoesy_manual.916 folded -
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 3.95 and attr store1 > 3.89 ) and 
      (bondedto (attr store1 < 141.522083947  and attr store1 > 140.722083947 ) or 
       bondedto (attr store1 < 46.0366386844  and attr store1 > 45.2366386844 ))) 
6 0.1 0.1 peak 916 volume 26.89776 ppm1 3.920 ppm2 4.838
 
! ############### C13_CNnoesy_manual.917 folded -
assi (attr store1 < 3.969 and attr store1 > 3.869 )
     ((attr store1 < 3.947 and attr store1 > 3.887 ) and 
      (bondedto (attr store1 < 141.526083947  and attr store1 > 140.726083947 ) or 
       bondedto (attr store1 < 46.0406386844  and attr store1 > 45.2406386844 ))) 
6 0.1 0.1 peak 917 volume 275.7782 ppm1 3.917 ppm2 3.919
 
! ############### C13_CNnoesy_manual.918 folded -
assi (attr store1 < 3.147 and attr store1 > 3.047 )
     ((attr store1 < 3.137 and attr store1 > 3.077 ) and 
      (bondedto (attr store1 < 141.521083947  and attr store1 > 140.721083947 ) or 
       bondedto (attr store1 < 46.0356386844  and attr store1 > 45.2356386844 ))) 
6 0.1 0.1 peak 918 volume 6.08345 ppm1 3.107 ppm2 3.097
 
! ############### C13_CNnoesy_manual.919 folded +
assi (attr store1 < 4.603 and attr store1 > 4.503 )
     ((attr store1 < 4.583 and attr store1 > 4.523 ) and 
      (bondedto (attr store1 < 117.594722631  and attr store1 > 116.794722631 ) or 
       bondedto (attr store1 < 69.852  and attr store1 > 69.052 ) or 
       bondedto (attr store1 < 22.1092773688  and attr store1 > 21.3092773688 ))) 
6 0.1 0.1 peak 919 volume 69.54041 ppm1 4.553 ppm2 4.553
 
! ############### C13_CNnoesy_manual.920 folded +
assi (attr store1 < 1.29 and attr store1 > 1.19 )
     ((attr store1 < 4.582 and attr store1 > 4.522 ) and 
      (bondedto (attr store1 < 117.573722631  and attr store1 > 116.773722631 ) or 
       bondedto (attr store1 < 69.831  and attr store1 > 69.031 ) or 
       bondedto (attr store1 < 22.0882773688  and attr store1 > 21.2882773688 ))) 
6 0.1 0.1 peak 920 volume 48.31535 ppm1 4.552 ppm2 1.240
 
! ############### C13_CNnoesy_manual.921 folded +
assi (attr store1 < 2.566 and attr store1 > 2.466 )
     ((attr store1 < 2.546 and attr store1 > 2.486 ) and 
      (bondedto (attr store1 < 117.643722631  and attr store1 > 116.843722631 ) or 
       bondedto (attr store1 < 69.901  and attr store1 > 69.101 ) or 
       bondedto (attr store1 < 22.1582773688  and attr store1 > 21.3582773688 ))) 
6 0.1 0.1 peak 921 volume 63.06827 ppm1 2.516 ppm2 2.516
 
! ############### C13_CNnoesy_manual.922 folded +
assi (attr store1 < 2.183 and attr store1 > 2.083 )
     ((attr store1 < 2.17 and attr store1 > 2.11 ) and 
      (bondedto (attr store1 < 117.560722631  and attr store1 > 116.760722631 ) or 
       bondedto (attr store1 < 69.818  and attr store1 > 69.018 ) or 
       bondedto (attr store1 < 22.0752773688  and attr store1 > 21.2752773688 ))) 
6 0.1 0.1 peak 922 volume 44.42424 ppm1 2.140 ppm2 2.133
 
! ############### C13_CNnoesy_manual.923 folded +
assi (attr store1 < 2.103 and attr store1 > 2.003 )
     ((attr store1 < 2.089 and attr store1 > 2.029 ) and 
      (bondedto (attr store1 < 117.612722631  and attr store1 > 116.812722631 ) or 
       bondedto (attr store1 < 69.87  and attr store1 > 69.07 ) or 
       bondedto (attr store1 < 22.1272773688  and attr store1 > 21.3272773688 ))) 
6 0.1 0.1 peak 923 volume 30.10628 ppm1 2.059 ppm2 2.053
 
! ############### C13_CNnoesy_manual.924 folded +
assi (attr store1 < 1.947 and attr store1 > 1.847 )
     ((attr store1 < 1.925 and attr store1 > 1.865 ) and 
      (bondedto (attr store1 < 117.566722631  and attr store1 > 116.766722631 ) or 
       bondedto (attr store1 < 69.824  and attr store1 > 69.024 ) or 
       bondedto (attr store1 < 22.0812773688  and attr store1 > 21.2812773688 ))) 
6 0.1 0.1 peak 924 volume 49.18706 ppm1 1.895 ppm2 1.897
 
! ############### C13_CNnoesy_manual.925 folded +
assi (attr store1 < 4.857 and attr store1 > 4.757 )
     ((attr store1 < 1.27 and attr store1 > 1.21 ) and 
      (bondedto (attr store1 < 117.576722631  and attr store1 > 116.776722631 ) or 
       bondedto (attr store1 < 69.834  and attr store1 > 69.034 ) or 
       bondedto (attr store1 < 22.0912773688  and attr store1 > 21.2912773688 ))) 
6 0.1 0.1 peak 925 volume 155.07904 ppm1 1.240 ppm2 4.807
 
! ############### C13_CNnoesy_manual.926 folded +
assi (attr store1 < 4.601 and attr store1 > 4.501 )
     ((attr store1 < 1.27 and attr store1 > 1.21 ) and 
      (bondedto (attr store1 < 117.573722631  and attr store1 > 116.773722631 ) or 
       bondedto (attr store1 < 69.831  and attr store1 > 69.031 ) or 
       bondedto (attr store1 < 22.0882773688  and attr store1 > 21.2882773688 ))) 
6 0.1 0.1 peak 926 volume 158.27412 ppm1 1.240 ppm2 4.551
 
! ############### C13_CNnoesy_manual.927 folded +
assi (attr store1 < 4.249 and attr store1 > 4.149 )
     ((attr store1 < 1.269 and attr store1 > 1.209 ) and 
      (bondedto (attr store1 < 117.588722631  and attr store1 > 116.788722631 ) or 
       bondedto (attr store1 < 69.846  and attr store1 > 69.046 ) or 
       bondedto (attr store1 < 22.1032773688  and attr store1 > 21.3032773688 ))) 
6 0.1 0.1 peak 927 volume 20.07816 ppm1 1.239 ppm2 4.199
 
! ############### C13_CNnoesy_manual.928 folded +
assi (attr store1 < 3.731 and attr store1 > 3.631 )
     ((attr store1 < 1.271 and attr store1 > 1.211 ) and 
      (bondedto (attr store1 < 117.612722631  and attr store1 > 116.812722631 ) or 
       bondedto (attr store1 < 69.87  and attr store1 > 69.07 ) or 
       bondedto (attr store1 < 22.1272773688  and attr store1 > 21.3272773688 ))) 
6 0.1 0.1 peak 928 volume 5.99435 ppm1 1.241 ppm2 3.681
 
! ############### C13_CNnoesy_manual.929 folded +
assi (attr store1 < 2.565 and attr store1 > 2.465 )
     ((attr store1 < 1.27 and attr store1 > 1.21 ) and 
      (bondedto (attr store1 < 117.588722631  and attr store1 > 116.788722631 ) or 
       bondedto (attr store1 < 69.846  and attr store1 > 69.046 ) or 
       bondedto (attr store1 < 22.1032773688  and attr store1 > 21.3032773688 ))) 
6 0.1 0.1 peak 929 volume 13.33610 ppm1 1.240 ppm2 2.515
 
! ############### C13_CNnoesy_manual.930 folded +
assi (attr store1 < 2.31 and attr store1 > 2.21 )
     ((attr store1 < 1.268 and attr store1 > 1.208 ) and 
      (bondedto (attr store1 < 117.552722631  and attr store1 > 116.752722631 ) or 
       bondedto (attr store1 < 69.81  and attr store1 > 69.01 ) or 
       bondedto (attr store1 < 22.0672773688  and attr store1 > 21.2672773688 ))) 
6 0.1 0.1 peak 930 volume 19.92795 ppm1 1.238 ppm2 2.260
 
! ############### C13_CNnoesy_manual.931 folded +
assi (attr store1 < 1.971 and attr store1 > 1.871 )
     ((attr store1 < 1.269 and attr store1 > 1.209 ) and 
      (bondedto (attr store1 < 117.560722631  and attr store1 > 116.760722631 ) or 
       bondedto (attr store1 < 69.818  and attr store1 > 69.018 ) or 
       bondedto (attr store1 < 22.0752773688  and attr store1 > 21.2752773688 ))) 
6 0.1 0.1 peak 931 volume 38.50828 ppm1 1.239 ppm2 1.921
 
! ############### C13_CNnoesy_manual.932 folded +
assi (attr store1 < 1.456 and attr store1 > 1.356 )
     ((attr store1 < 1.266 and attr store1 > 1.206 ) and 
      (bondedto (attr store1 < 117.596722631  and attr store1 > 116.796722631 ) or 
       bondedto (attr store1 < 69.854  and attr store1 > 69.054 ) or 
       bondedto (attr store1 < 22.1112773688  and attr store1 > 21.3112773688 ))) 
6 0.1 0.1 peak 932 volume 64.45455 ppm1 1.236 ppm2 1.406
 
! ############### C13_CNnoesy_manual.933 folded +
assi (attr store1 < 1.289 and attr store1 > 1.189 )
     ((attr store1 < 1.27 and attr store1 > 1.21 ) and 
      (bondedto (attr store1 < 117.564722631  and attr store1 > 116.764722631 ) or 
       bondedto (attr store1 < 69.822  and attr store1 > 69.022 ) or 
       bondedto (attr store1 < 22.0792773688  and attr store1 > 21.2792773688 ))) 
6 0.1 0.1 peak 933 volume 4507.80078 ppm1 1.240 ppm2 1.239
 
! ############### C13_CNnoesy_manual.934 folded +
assi (attr store1 < 1.12 and attr store1 > 1.02 )
     ((attr store1 < 1.267 and attr store1 > 1.207 ) and 
      (bondedto (attr store1 < 117.582722631  and attr store1 > 116.782722631 ) or 
       bondedto (attr store1 < 69.84  and attr store1 > 69.04 ) or 
       bondedto (attr store1 < 22.0972773688  and attr store1 > 21.2972773688 ))) 
6 0.1 0.1 peak 934 volume 82.10493 ppm1 1.237 ppm2 1.070
 
! ############### C13_CNnoesy_manual.935 folded +
assi (attr store1 < 1.026 and attr store1 > 0.926 )
     ((attr store1 < 1.266 and attr store1 > 1.206 ) and 
      (bondedto (attr store1 < 117.588722631  and attr store1 > 116.788722631 ) or 
       bondedto (attr store1 < 69.846  and attr store1 > 69.046 ) or 
       bondedto (attr store1 < 22.1032773688  and attr store1 > 21.3032773688 ))) 
6 0.1 0.1 peak 935 volume 46.32359 ppm1 1.236 ppm2 0.976
 
! ############### C13_CNnoesy_manual.936 folded +
assi (attr store1 < 0.939 and attr store1 > 0.839 )
     ((attr store1 < 1.266 and attr store1 > 1.206 ) and 
      (bondedto (attr store1 < 117.580722631  and attr store1 > 116.780722631 ) or 
       bondedto (attr store1 < 69.838  and attr store1 > 69.038 ) or 
       bondedto (attr store1 < 22.0952773688  and attr store1 > 21.2952773688 ))) 
6 0.1 0.1 peak 936 volume 31.54849 ppm1 1.236 ppm2 0.889
 
! ############### C13_CNnoesy_manual.937 folded +
assi (attr store1 < 1.774 and attr store1 > 1.674 )
     ((attr store1 < 1.263 and attr store1 > 1.203 ) and 
      (bondedto (attr store1 < 117.594722631  and attr store1 > 116.794722631 ) or 
       bondedto (attr store1 < 69.852  and attr store1 > 69.052 ) or 
       bondedto (attr store1 < 22.1092773688  and attr store1 > 21.3092773688 ))) 
6 0.1 0.1 peak 937 volume 9.68882 ppm1 1.233 ppm2 1.724
 
! ############### C13_CNnoesy_manual.938 folded +
assi (attr store1 < 1.554 and attr store1 > 1.454 )
     ((attr store1 < 1.263 and attr store1 > 1.203 ) and 
      (bondedto (attr store1 < 117.590722631  and attr store1 > 116.790722631 ) or 
       bondedto (attr store1 < 69.848  and attr store1 > 69.048 ) or 
       bondedto (attr store1 < 22.1052773688  and attr store1 > 21.3052773688 ))) 
6 0.1 0.1 peak 938 volume 21.81241 ppm1 1.233 ppm2 1.504
 
! ############### C13_CNnoesy_manual.939 folded +
assi (attr store1 < 4.887 and attr store1 > 4.787 )
     ((attr store1 < 0.885 and attr store1 > 0.825 ) and 
      (bondedto (attr store1 < 117.574722631  and attr store1 > 116.774722631 ) or 
       bondedto (attr store1 < 69.832  and attr store1 > 69.032 ) or 
       bondedto (attr store1 < 22.0892773688  and attr store1 > 21.2892773688 ))) 
6 0.1 0.1 peak 939 volume 7.62454 ppm1 0.855 ppm2 4.837
 
! ############### C13_CNnoesy_manual.940 folded -
assi (attr store1 < 8.006 and attr store1 > 7.906 )
     ((attr store1 < 7.98 and attr store1 > 7.92 ) and 
      (bondedto (attr store1 < 141.466083947  and attr store1 > 140.666083947 ) or 
       bondedto (attr store1 < 45.9806386844  and attr store1 > 45.1806386844 ))) 
6 0.1 0.1 peak 940 volume 6.36714 ppm1 7.950 ppm2 7.956
 
! ############### C13_CNnoesy_manual.941 folded -
assi (attr store1 < 8.003 and attr store1 > 7.903 )
     ((attr store1 < 4.37 and attr store1 > 4.31 ) and 
      (bondedto (attr store1 < 141.511083947  and attr store1 > 140.711083947 ) or 
       bondedto (attr store1 < 46.0256386844  and attr store1 > 45.2256386844 ))) 
6 0.1 0.1 peak 941 volume 11.75919 ppm1 4.340 ppm2 7.953
 
! ############### C13_CNnoesy_manual.942 folded -
assi (attr store1 < 4.389 and attr store1 > 4.289 )
     ((attr store1 < 4.371 and attr store1 > 4.311 ) and 
      (bondedto (attr store1 < 141.501083947  and attr store1 > 140.701083947 ) or 
       bondedto (attr store1 < 46.0156386844  and attr store1 > 45.2156386844 ))) 
6 0.1 0.1 peak 942 volume 225.2529 ppm1 4.341 ppm2 4.339
 
! ############### C13_CNnoesy_manual.943 folded -
assi (attr store1 < 3.965 and attr store1 > 3.865 )
     ((attr store1 < 4.368 and attr store1 > 4.308 ) and 
      (bondedto (attr store1 < 141.491083947  and attr store1 > 140.691083947 ) or 
       bondedto (attr store1 < 46.0056386844  and attr store1 > 45.2056386844 ))) 
6 0.1 0.1 peak 943 volume 189.06331 ppm1 4.338 ppm2 3.915
 
! ############### C13_CNnoesy_manual.944 folded -
assi (attr store1 < 4.892 and attr store1 > 4.792 )
     ((attr store1 < 4.366 and attr store1 > 4.306 ) and 
      (bondedto (attr store1 < 141.489083947  and attr store1 > 140.689083947 ) or 
       bondedto (attr store1 < 46.0036386844  and attr store1 > 45.2036386844 ))) 
6 0.1 0.1 peak 944 volume 18.05645 ppm1 4.336 ppm2 4.842
 
! ############### C13_CNnoesy_manual.945 folded -
assi (attr store1 < 8.007 and attr store1 > 7.907 )
     ((attr store1 < 3.946 and attr store1 > 3.886 ) and 
      (bondedto (attr store1 < 141.497083947  and attr store1 > 140.697083947 ) or 
       bondedto (attr store1 < 46.0116386844  and attr store1 > 45.2116386844 ))) 
6 0.1 0.1 peak 945 volume 14.41718 ppm1 3.916 ppm2 7.957
 
! ############### C13_CNnoesy_manual.946 folded -
assi (attr store1 < 4.389 and attr store1 > 4.289 )
     ((attr store1 < 3.945 and attr store1 > 3.885 ) and 
      (bondedto (attr store1 < 141.491083947  and attr store1 > 140.691083947 ) or 
       bondedto (attr store1 < 46.0056386844  and attr store1 > 45.2056386844 ))) 
6 0.1 0.1 peak 946 volume 220.23871 ppm1 3.915 ppm2 4.339
 
! ############### C13_CNnoesy_manual.947 folded -
assi (attr store1 < 0.999 and attr store1 > 0.899 )
     ((attr store1 < 0.984 and attr store1 > 0.924 ) and 
      (bondedto (attr store1 < 141.496083947  and attr store1 > 140.696083947 ) or 
       bondedto (attr store1 < 46.0106386844  and attr store1 > 45.2106386844 ))) 
6 0.1 0.1 peak 947 volume 137.72714 ppm1 0.954 ppm2 0.949
 
! ############### C13_CNnoesy_manual.948 folded +
assi (attr store1 < 1.949 and attr store1 > 1.849 )
     ((attr store1 < 1.947 and attr store1 > 1.887 ) and 
      (bondedto (attr store1 < 117.540722631  and attr store1 > 116.740722631 ) or 
       bondedto (attr store1 < 69.798  and attr store1 > 68.998 ) or 
       bondedto (attr store1 < 22.0552773688  and attr store1 > 21.2552773688 ))) 
6 0.1 0.1 peak 948 volume 39.62135 ppm1 1.917 ppm2 1.899
 
! ############### C13_CNnoesy_manual.949 folded +
assi (attr store1 < 1.875 and attr store1 > 1.775 )
     ((attr store1 < 1.86 and attr store1 > 1.8 ) and 
      (bondedto (attr store1 < 117.482722631  and attr store1 > 116.682722631 ) or 
       bondedto (attr store1 < 69.74  and attr store1 > 68.94 ) or 
       bondedto (attr store1 < 21.9972773688  and attr store1 > 21.1972773688 ))) 
6 0.1 0.1 peak 949 volume 64.33932 ppm1 1.830 ppm2 1.825
 
! ############### C13_CNnoesy_manual.950 folded +
assi (attr store1 < 9.299 and attr store1 > 9.199 )
     ((attr store1 < 1.271 and attr store1 > 1.211 ) and 
      (bondedto (attr store1 < 117.548722631  and attr store1 > 116.748722631 ) or 
       bondedto (attr store1 < 69.806  and attr store1 > 69.006 ) or 
       bondedto (attr store1 < 22.0632773688  and attr store1 > 21.2632773688 ))) 
6 0.1 0.1 peak 950 volume 27.56433 ppm1 1.241 ppm2 9.249
 
! ############### C13_CNnoesy_manual.951 folded +
assi (attr store1 < 7.678 and attr store1 > 7.578 )
     ((attr store1 < 1.271 and attr store1 > 1.211 ) and 
      (bondedto (attr store1 < 117.536722631  and attr store1 > 116.736722631 ) or 
       bondedto (attr store1 < 69.794  and attr store1 > 68.994 ) or 
       bondedto (attr store1 < 22.0512773688  and attr store1 > 21.2512773688 ))) 
6 0.1 0.1 peak 951 volume 9.06217 ppm1 1.241 ppm2 7.628
 
! ############### C13_CNnoesy_manual.952 folded +
assi (attr store1 < 1.816 and attr store1 > 1.716 )
     ((attr store1 < 1.791 and attr store1 > 1.731 ) and 
      (bondedto (attr store1 < 117.450722631  and attr store1 > 116.650722631 ) or 
       bondedto (attr store1 < 69.708  and attr store1 > 68.908 ) or 
       bondedto (attr store1 < 21.9652773688  and attr store1 > 21.1652773688 ))) 
6 0.1 0.1 peak 952 volume 85.50950 ppm1 1.761 ppm2 1.766
 
! ############### C13_CNnoesy_manual.953 folded +
assi (attr store1 < 1.724 and attr store1 > 1.624 )
     ((attr store1 < 1.702 and attr store1 > 1.642 ) and 
      (bondedto (attr store1 < 117.388722631  and attr store1 > 116.588722631 ) or 
       bondedto (attr store1 < 69.646  and attr store1 > 68.846 ) or 
       bondedto (attr store1 < 21.9032773688  and attr store1 > 21.1032773688 ))) 
6 0.1 0.1 peak 953 volume 106.36807 ppm1 1.672 ppm2 1.674
 
! ############### C13_CNnoesy_manual.954 folded +
assi (attr store1 < 1.609 and attr store1 > 1.509 )
     ((attr store1 < 1.587 and attr store1 > 1.527 ) and 
      (bondedto (attr store1 < 117.435722631  and attr store1 > 116.635722631 ) or 
       bondedto (attr store1 < 69.693  and attr store1 > 68.893 ) or 
       bondedto (attr store1 < 21.9502773688  and attr store1 > 21.1502773688 ))) 
6 0.1 0.1 peak 954 volume 303.55777 ppm1 1.557 ppm2 1.559
 
! ############### C13_CNnoesy_manual.955 folded +
assi (attr store1 < 2.639 and attr store1 > 2.539 )
     ((attr store1 < 2.639 and attr store1 > 2.579 ) and 
      (bondedto (attr store1 < 117.341722631  and attr store1 > 116.541722631 ) or 
       bondedto (attr store1 < 69.599  and attr store1 > 68.799 ) or 
       bondedto (attr store1 < 21.8562773688  and attr store1 > 21.0562773688 ))) 
6 0.1 0.1 peak 955 volume 7.91126 ppm1 2.609 ppm2 2.589
 
! ############### C13_CNnoesy_manual.956 folded +
assi (attr store1 < 2.092 and attr store1 > 1.992 )
     ((attr store1 < 2.468 and attr store1 > 2.408 ) and 
      (bondedto (attr store1 < 117.281722631  and attr store1 > 116.481722631 ) or 
       bondedto (attr store1 < 69.539  and attr store1 > 68.739 ) or 
       bondedto (attr store1 < 21.7962773688  and attr store1 > 20.9962773688 ))) 
6 0.1 0.1 peak 956 volume 12.22433 ppm1 2.438 ppm2 2.042
 
! ############### C13_CNnoesy_manual.957 folded +
assi (attr store1 < 2.489 and attr store1 > 2.389 )
     ((attr store1 < 2.075 and attr store1 > 2.015 ) and 
      (bondedto (attr store1 < 117.281722631  and attr store1 > 116.481722631 ) or 
       bondedto (attr store1 < 69.539  and attr store1 > 68.739 ) or 
       bondedto (attr store1 < 21.7962773688  and attr store1 > 20.9962773688 ))) 
6 0.1 0.1 peak 957 volume 12.90694 ppm1 2.045 ppm2 2.439
 
! ############### C13_CNnoesy_manual.958 folded +
assi (attr store1 < 8.354 and attr store1 > 8.254 )
     ((attr store1 < 1.077 and attr store1 > 1.017 ) and 
      (bondedto (attr store1 < 117.271722631  and attr store1 > 116.471722631 ) or 
       bondedto (attr store1 < 69.529  and attr store1 > 68.729 ) or 
       bondedto (attr store1 < 21.7862773688  and attr store1 > 20.9862773688 ))) 
6 0.1 0.1 peak 958 volume 18.91795 ppm1 1.047 ppm2 8.304
 
! ############### C13_CNnoesy_manual.959 folded +
assi (attr store1 < 4.887 and attr store1 > 4.787 )
     ((attr store1 < 1.064 and attr store1 > 1.004 ) and 
      (bondedto (attr store1 < 117.272722631  and attr store1 > 116.472722631 ) or 
       bondedto (attr store1 < 69.53  and attr store1 > 68.73 ) or 
       bondedto (attr store1 < 21.7872773688  and attr store1 > 20.9872773688 ))) 
6 0.1 0.1 peak 959 volume 40.23386 ppm1 1.034 ppm2 4.837
 
! ############### C13_CNnoesy_manual.960 folded +
assi (attr store1 < 1.51 and attr store1 > 1.41 )
     ((attr store1 < 1.499 and attr store1 > 1.439 ) and 
      (bondedto (attr store1 < 117.242722631  and attr store1 > 116.442722631 ) or 
       bondedto (attr store1 < 69.5  and attr store1 > 68.7 ) or 
       bondedto (attr store1 < 21.7572773688  and attr store1 > 20.9572773688 ))) 
6 0.1 0.1 peak 960 volume 118.19517 ppm1 1.469 ppm2 1.460
 
! ############### C13_CNnoesy_manual.961 folded +
assi (attr store1 < 7.852 and attr store1 > 7.752 )
     ((attr store1 < 1.075 and attr store1 > 1.015 ) and 
      (bondedto (attr store1 < 117.271722631  and attr store1 > 116.471722631 ) or 
       bondedto (attr store1 < 69.529  and attr store1 > 68.729 ) or 
       bondedto (attr store1 < 21.7862773688  and attr store1 > 20.9862773688 ))) 
6 0.1 0.1 peak 961 volume 15.08558 ppm1 1.045 ppm2 7.802
 
! ############### C13_CNnoesy_manual.962 folded +
assi (attr store1 < 7.358 and attr store1 > 7.258 )
     ((attr store1 < 1.071 and attr store1 > 1.011 ) and 
      (bondedto (attr store1 < 117.233722631  and attr store1 > 116.433722631 ) or 
       bondedto (attr store1 < 69.491  and attr store1 > 68.691 ) or 
       bondedto (attr store1 < 21.7482773688  and attr store1 > 20.9482773688 ))) 
6 0.1 0.1 peak 962 volume 22.12979 ppm1 1.041 ppm2 7.308
 
! ############### C13_CNnoesy_manual.963 folded +
assi (attr store1 < 7.174 and attr store1 > 7.074 )
     ((attr store1 < 1.072 and attr store1 > 1.012 ) and 
      (bondedto (attr store1 < 117.233722631  and attr store1 > 116.433722631 ) or 
       bondedto (attr store1 < 69.491  and attr store1 > 68.691 ) or 
       bondedto (attr store1 < 21.7482773688  and attr store1 > 20.9482773688 ))) 
6 0.1 0.1 peak 963 volume 26.47558 ppm1 1.042 ppm2 7.124
 
! ############### C13_CNnoesy_manual.964 folded +
assi (attr store1 < 4.4 and attr store1 > 4.3 )
     ((attr store1 < 1.073 and attr store1 > 1.013 ) and 
      (bondedto (attr store1 < 117.254722631  and attr store1 > 116.454722631 ) or 
       bondedto (attr store1 < 69.512  and attr store1 > 68.712 ) or 
       bondedto (attr store1 < 21.7692773688  and attr store1 > 20.9692773688 ))) 
6 0.1 0.1 peak 964 volume 22.37624 ppm1 1.043 ppm2 4.350
 
! ############### C13_CNnoesy_manual.965 folded +
assi (attr store1 < 4.211 and attr store1 > 4.111 )
     ((attr store1 < 1.076 and attr store1 > 1.016 ) and 
      (bondedto (attr store1 < 117.260722631  and attr store1 > 116.460722631 ) or 
       bondedto (attr store1 < 69.518  and attr store1 > 68.718 ) or 
       bondedto (attr store1 < 21.7752773688  and attr store1 > 20.9752773688 ))) 
6 0.1 0.1 peak 965 volume 40.66938 ppm1 1.046 ppm2 4.161
 
! ############### C13_CNnoesy_manual.966 folded +
assi (attr store1 < 4.03 and attr store1 > 3.93 )
     ((attr store1 < 1.076 and attr store1 > 1.016 ) and 
      (bondedto (attr store1 < 117.252722631  and attr store1 > 116.452722631 ) or 
       bondedto (attr store1 < 69.51  and attr store1 > 68.71 ) or 
       bondedto (attr store1 < 21.7672773688  and attr store1 > 20.9672773688 ))) 
6 0.1 0.1 peak 966 volume 93.29816 ppm1 1.046 ppm2 3.980
 
! ############### C13_CNnoesy_manual.967 folded +
assi (attr store1 < 3.785 and attr store1 > 3.685 )
     ((attr store1 < 1.072 and attr store1 > 1.012 ) and 
      (bondedto (attr store1 < 117.220722631  and attr store1 > 116.420722631 ) or 
       bondedto (attr store1 < 69.478  and attr store1 > 68.678 ) or 
       bondedto (attr store1 < 21.7352773688  and attr store1 > 20.9352773688 ))) 
6 0.1 0.1 peak 967 volume 89.80166 ppm1 1.042 ppm2 3.735
 
! ############### C13_CNnoesy_manual.968 folded +
assi (attr store1 < 3.097 and attr store1 > 2.997 )
     ((attr store1 < 1.078 and attr store1 > 1.018 ) and 
      (bondedto (attr store1 < 117.256722631  and attr store1 > 116.456722631 ) or 
       bondedto (attr store1 < 69.514  and attr store1 > 68.714 ) or 
       bondedto (attr store1 < 21.7712773688  and attr store1 > 20.9712773688 ))) 
6 0.1 0.1 peak 968 volume 9.12600 ppm1 1.048 ppm2 3.047
 
! ############### C13_CNnoesy_manual.969 folded +
assi (attr store1 < 2.653 and attr store1 > 2.553 )
     ((attr store1 < 1.076 and attr store1 > 1.016 ) and 
      (bondedto (attr store1 < 117.258722631  and attr store1 > 116.458722631 ) or 
       bondedto (attr store1 < 69.516  and attr store1 > 68.716 ) or 
       bondedto (attr store1 < 21.7732773688  and attr store1 > 20.9732773688 ))) 
6 0.1 0.1 peak 969 volume 18.99169 ppm1 1.046 ppm2 2.603
 
! ############### C13_CNnoesy_manual.970 folded +
assi (attr store1 < 2.331 and attr store1 > 2.231 )
     ((attr store1 < 1.074 and attr store1 > 1.014 ) and 
      (bondedto (attr store1 < 117.238722631  and attr store1 > 116.438722631 ) or 
       bondedto (attr store1 < 69.496  and attr store1 > 68.696 ) or 
       bondedto (attr store1 < 21.7532773688  and attr store1 > 20.9532773688 ))) 
6 0.1 0.1 peak 970 volume 264.79996 ppm1 1.044 ppm2 2.281
 
! ############### C13_CNnoesy_manual.971 folded +
assi (attr store1 < 1.657 and attr store1 > 1.557 )
     ((attr store1 < 1.071 and attr store1 > 1.011 ) and 
      (bondedto (attr store1 < 117.256722631  and attr store1 > 116.456722631 ) or 
       bondedto (attr store1 < 69.514  and attr store1 > 68.714 ) or 
       bondedto (attr store1 < 21.7712773688  and attr store1 > 20.9712773688 ))) 
6 0.1 0.1 peak 971 volume 30.80600 ppm1 1.041 ppm2 1.607
 
! ############### C13_CNnoesy_manual.972 folded +
assi (attr store1 < 1.267 and attr store1 > 1.167 )
     ((attr store1 < 1.073 and attr store1 > 1.013 ) and 
      (bondedto (attr store1 < 117.238722631  and attr store1 > 116.438722631 ) or 
       bondedto (attr store1 < 69.496  and attr store1 > 68.696 ) or 
       bondedto (attr store1 < 21.7532773688  and attr store1 > 20.9532773688 ))) 
6 0.1 0.1 peak 972 volume 385.15451 ppm1 1.043 ppm2 1.217
 
! ############### C13_CNnoesy_manual.973 folded +
assi (attr store1 < 1.096 and attr store1 > 0.996 )
     ((attr store1 < 1.075 and attr store1 > 1.015 ) and 
      (bondedto (attr store1 < 117.245722631  and attr store1 > 116.445722631 ) or 
       bondedto (attr store1 < 69.503  and attr store1 > 68.703 ) or 
       bondedto (attr store1 < 21.7602773688  and attr store1 > 20.9602773688 ))) 
6 0.1 0.1 peak 973 volume 9606.72754 ppm1 1.045 ppm2 1.046
 
! ############### C13_CNnoesy_manual.974 folded +
assi (attr store1 < 0.928 and attr store1 > 0.828 )
     ((attr store1 < 1.074 and attr store1 > 1.014 ) and 
      (bondedto (attr store1 < 117.241722631  and attr store1 > 116.441722631 ) or 
       bondedto (attr store1 < 69.499  and attr store1 > 68.699 ) or 
       bondedto (attr store1 < 21.7562773688  and attr store1 > 20.9562773688 ))) 
6 0.1 0.1 peak 974 volume 192.79268 ppm1 1.044 ppm2 0.878
 
! ############### C13_CNnoesy_manual.975 folded +
assi (attr store1 < 2.033 and attr store1 > 1.933 )
     ((attr store1 < 1.07 and attr store1 > 1.01 ) and 
      (bondedto (attr store1 < 117.248722631  and attr store1 > 116.448722631 ) or 
       bondedto (attr store1 < 69.506  and attr store1 > 68.706 ) or 
       bondedto (attr store1 < 21.7632773688  and attr store1 > 20.9632773688 ))) 
6 0.1 0.1 peak 975 volume 21.64935 ppm1 1.040 ppm2 1.983
 
! ############### C13_CNnoesy_manual.976 folded +
assi (attr store1 < 1.824 and attr store1 > 1.724 )
     ((attr store1 < 1.07 and attr store1 > 1.01 ) and 
      (bondedto (attr store1 < 117.236722631  and attr store1 > 116.436722631 ) or 
       bondedto (attr store1 < 69.494  and attr store1 > 68.694 ) or 
       bondedto (attr store1 < 21.7512773688  and attr store1 > 20.9512773688 ))) 
6 0.1 0.1 peak 976 volume 39.23233 ppm1 1.040 ppm2 1.774
 
! ############### C13_CNnoesy_manual.977 folded +
assi (attr store1 < 1.59 and attr store1 > 1.49 )
     ((attr store1 < 1.069 and attr store1 > 1.009 ) and 
      (bondedto (attr store1 < 117.246722631  and attr store1 > 116.446722631 ) or 
       bondedto (attr store1 < 69.504  and attr store1 > 68.704 ) or 
       bondedto (attr store1 < 21.7612773688  and attr store1 > 20.9612773688 ))) 
6 0.1 0.1 peak 977 volume 28.65534 ppm1 1.039 ppm2 1.540
 
! ############### C13_CNnoesy_manual.978 folded +
assi (attr store1 < 1.44 and attr store1 > 1.34 )
     ((attr store1 < 1.07 and attr store1 > 1.01 ) and 
      (bondedto (attr store1 < 117.240722631  and attr store1 > 116.440722631 ) or 
       bondedto (attr store1 < 69.498  and attr store1 > 68.698 ) or 
       bondedto (attr store1 < 21.7552773688  and attr store1 > 20.9552773688 ))) 
6 0.1 0.1 peak 978 volume 48.79880 ppm1 1.040 ppm2 1.390
 
! ############### C13_CNnoesy_manual.979 folded +
assi (attr store1 < 0.828 and attr store1 > 0.728 )
     ((attr store1 < 1.07 and attr store1 > 1.01 ) and 
      (bondedto (attr store1 < 117.246722631  and attr store1 > 116.446722631 ) or 
       bondedto (attr store1 < 69.504  and attr store1 > 68.704 ) or 
       bondedto (attr store1 < 21.7612773688  and attr store1 > 20.9612773688 ))) 
6 0.1 0.1 peak 979 volume 50.75618 ppm1 1.040 ppm2 0.778
 
! ############### C13_CNnoesy_manual.980 folded +
assi (attr store1 < 0.724 and attr store1 > 0.624 )
     ((attr store1 < 1.068 and attr store1 > 1.008 ) and 
      (bondedto (attr store1 < 117.270722631  and attr store1 > 116.470722631 ) or 
       bondedto (attr store1 < 69.528  and attr store1 > 68.728 ) or 
       bondedto (attr store1 < 21.7852773688  and attr store1 > 20.9852773688 ))) 
6 0.1 0.1 peak 980 volume 24.11963 ppm1 1.038 ppm2 0.674
 
! ############### C13_CNnoesy_manual.981 folded -
assi (attr store1 < 4.134 and attr store1 > 4.034 )
     ((attr store1 < 4.128 and attr store1 > 4.068 ) and 
      (bondedto (attr store1 < 141.143083947  and attr store1 > 140.343083947 ) or 
       bondedto (attr store1 < 45.6576386844  and attr store1 > 44.8576386844 ))) 
6 0.1 0.1 peak 981 volume 61.68475 ppm1 4.098 ppm2 4.084
 
! ############### C13_CNnoesy_manual.982 folded -
assi (attr store1 < 1.083 and attr store1 > 0.983 )
     ((attr store1 < 1.349 and attr store1 > 1.289 ) and 
      (bondedto (attr store1 < 141.102083947  and attr store1 > 140.302083947 ) or 
       bondedto (attr store1 < 45.6166386844  and attr store1 > 44.8166386844 ))) 
6 0.1 0.1 peak 982 volume 17.53673 ppm1 1.319 ppm2 1.033
 
! ############### C13_CNnoesy_manual.983 folded +
assi (attr store1 < 7.365 and attr store1 > 7.265 )
     ((attr store1 < 0.852 and attr store1 > 0.792 ) and 
      (bondedto (attr store1 < 117.122722631  and attr store1 > 116.322722631 ) or 
       bondedto (attr store1 < 69.38  and attr store1 > 68.58 ) or 
       bondedto (attr store1 < 21.6372773688  and attr store1 > 20.8372773688 ))) 
6 0.1 0.1 peak 983 volume 11.03789 ppm1 0.822 ppm2 7.315
 
! ############### C13_CNnoesy_manual.984 folded +
assi (attr store1 < 3.068 and attr store1 > 2.968 )
     ((attr store1 < 0.852 and attr store1 > 0.792 ) and 
      (bondedto (attr store1 < 117.143722631  and attr store1 > 116.343722631 ) or 
       bondedto (attr store1 < 69.401  and attr store1 > 68.601 ) or 
       bondedto (attr store1 < 21.6582773688  and attr store1 > 20.8582773688 ))) 
6 0.1 0.1 peak 984 volume 10.34765 ppm1 0.822 ppm2 3.018
 
! ############### C13_CNnoesy_manual.985 folded +
assi (attr store1 < 1.772 and attr store1 > 1.672 )
     ((attr store1 < 0.852 and attr store1 > 0.792 ) and 
      (bondedto (attr store1 < 117.136722631  and attr store1 > 116.336722631 ) or 
       bondedto (attr store1 < 69.394  and attr store1 > 68.594 ) or 
       bondedto (attr store1 < 21.6512773688  and attr store1 > 20.8512773688 ))) 
6 0.1 0.1 peak 985 volume 27.40844 ppm1 0.822 ppm2 1.722
 
! ############### C13_CNnoesy_manual.986 folded +
assi (attr store1 < 1.501 and attr store1 > 1.401 )
     ((attr store1 < 0.851 and attr store1 > 0.791 ) and 
      (bondedto (attr store1 < 117.095722631  and attr store1 > 116.295722631 ) or 
       bondedto (attr store1 < 69.353  and attr store1 > 68.553 ) or 
       bondedto (attr store1 < 21.6102773688  and attr store1 > 20.8102773688 ))) 
6 0.1 0.1 peak 986 volume 13.17395 ppm1 0.821 ppm2 1.451
 
! ############### C13_CNnoesy_manual.987 folded +
assi (attr store1 < 1.374 and attr store1 > 1.274 )
     ((attr store1 < 0.858 and attr store1 > 0.798 ) and 
      (bondedto (attr store1 < 117.114722631  and attr store1 > 116.314722631 ) or 
       bondedto (attr store1 < 69.372  and attr store1 > 68.572 ) or 
       bondedto (attr store1 < 21.6292773688  and attr store1 > 20.8292773688 ))) 
6 0.1 0.1 peak 987 volume 16.36213 ppm1 0.828 ppm2 1.324
 
! ############### C13_CNnoesy_manual.988 folded +
assi (attr store1 < 0.353 and attr store1 > 0.253 )
     ((attr store1 < 0.851 and attr store1 > 0.791 ) and 
      (bondedto (attr store1 < 117.102722631  and attr store1 > 116.302722631 ) or 
       bondedto (attr store1 < 69.36  and attr store1 > 68.56 ) or 
       bondedto (attr store1 < 21.6172773688  and attr store1 > 20.8172773688 ))) 
6 0.1 0.1 peak 988 volume 88.82580 ppm1 0.821 ppm2 0.303
 
! ############### C13_CNnoesy_manual.989 folded +
assi (attr store1 < 7.376 and attr store1 > 7.276 )
     ((attr store1 < 0.33 and attr store1 > 0.27 ) and 
      (bondedto (attr store1 < 117.095722631  and attr store1 > 116.295722631 ) or 
       bondedto (attr store1 < 69.353  and attr store1 > 68.553 ) or 
       bondedto (attr store1 < 21.6102773688  and attr store1 > 20.8102773688 ))) 
6 0.1 0.1 peak 989 volume 10.20551 ppm1 0.300 ppm2 7.326
 
! ############### C13_CNnoesy_manual.990 folded +
assi (attr store1 < 6.811 and attr store1 > 6.711 )
     ((attr store1 < 0.332 and attr store1 > 0.272 ) and 
      (bondedto (attr store1 < 117.146722631  and attr store1 > 116.346722631 ) or 
       bondedto (attr store1 < 69.404  and attr store1 > 68.604 ) or 
       bondedto (attr store1 < 21.6612773688  and attr store1 > 20.8612773688 ))) 
6 0.1 0.1 peak 990 volume 9.79809 ppm1 0.302 ppm2 6.761
 
! ############### C13_CNnoesy_manual.991 folded +
assi (attr store1 < 4.892 and attr store1 > 4.792 )
     ((attr store1 < 0.333 and attr store1 > 0.273 ) and 
      (bondedto (attr store1 < 117.087722631  and attr store1 > 116.287722631 ) or 
       bondedto (attr store1 < 69.345  and attr store1 > 68.545 ) or 
       bondedto (attr store1 < 21.6022773688  and attr store1 > 20.8022773688 ))) 
6 0.1 0.1 peak 991 volume 6.36573 ppm1 0.303 ppm2 4.842
 
! ############### C13_CNnoesy_manual.992 folded +
assi (attr store1 < 3.073 and attr store1 > 2.973 )
     ((attr store1 < 0.333 and attr store1 > 0.273 ) and 
      (bondedto (attr store1 < 117.148722631  and attr store1 > 116.348722631 ) or 
       bondedto (attr store1 < 69.406  and attr store1 > 68.606 ) or 
       bondedto (attr store1 < 21.6632773688  and attr store1 > 20.8632773688 ))) 
6 0.1 0.1 peak 992 volume 8.64213 ppm1 0.303 ppm2 3.023
 
! ############### C13_CNnoesy_manual.993 folded +
assi (attr store1 < 1.779 and attr store1 > 1.679 )
     ((attr store1 < 0.33 and attr store1 > 0.27 ) and 
      (bondedto (attr store1 < 117.116722631  and attr store1 > 116.316722631 ) or 
       bondedto (attr store1 < 69.374  and attr store1 > 68.574 ) or 
       bondedto (attr store1 < 21.6312773688  and attr store1 > 20.8312773688 ))) 
6 0.1 0.1 peak 993 volume 26.93119 ppm1 0.300 ppm2 1.729
 
! ############### C13_CNnoesy_manual.994 folded +
assi (attr store1 < 1.507 and attr store1 > 1.407 )
     ((attr store1 < 0.331 and attr store1 > 0.271 ) and 
      (bondedto (attr store1 < 117.105722631  and attr store1 > 116.305722631 ) or 
       bondedto (attr store1 < 69.363  and attr store1 > 68.563 ) or 
       bondedto (attr store1 < 21.6202773688  and attr store1 > 20.8202773688 ))) 
6 0.1 0.1 peak 994 volume 15.50009 ppm1 0.301 ppm2 1.457
 
! ############### C13_CNnoesy_manual.995 folded +
assi (attr store1 < 1.379 and attr store1 > 1.279 )
     ((attr store1 < 0.33 and attr store1 > 0.27 ) and 
      (bondedto (attr store1 < 117.114722631  and attr store1 > 116.314722631 ) or 
       bondedto (attr store1 < 69.372  and attr store1 > 68.572 ) or 
       bondedto (attr store1 < 21.6292773688  and attr store1 > 20.8292773688 ))) 
6 0.1 0.1 peak 995 volume 15.92096 ppm1 0.300 ppm2 1.329
 
! ############### C13_CNnoesy_manual.996 folded +
assi (attr store1 < 0.873 and attr store1 > 0.773 )
     ((attr store1 < 0.332 and attr store1 > 0.272 ) and 
      (bondedto (attr store1 < 117.095722631  and attr store1 > 116.295722631 ) or 
       bondedto (attr store1 < 69.353  and attr store1 > 68.553 ) or 
       bondedto (attr store1 < 21.6102773688  and attr store1 > 20.8102773688 ))) 
6 0.1 0.1 peak 996 volume 81.69998 ppm1 0.302 ppm2 0.823
 
! ############### C13_CNnoesy_manual.997 folded +
assi (attr store1 < 0.352 and attr store1 > 0.252 )
     ((attr store1 < 0.332 and attr store1 > 0.272 ) and 
      (bondedto (attr store1 < 117.113722631  and attr store1 > 116.313722631 ) or 
       bondedto (attr store1 < 69.371  and attr store1 > 68.571 ) or 
       bondedto (attr store1 < 21.6282773688  and attr store1 > 20.8282773688 ))) 
6 0.1 0.1 peak 997 volume 110.91553 ppm1 0.302 ppm2 0.302
 
! ############### C13_CNnoesy_manual.998 folded -
assi (attr store1 < 0.809 and attr store1 > 0.709 )
     ((attr store1 < 4.311 and attr store1 > 4.251 ) and 
      (bondedto (attr store1 < 140.970083947  and attr store1 > 140.170083947 ) or 
       bondedto (attr store1 < 45.4846386844  and attr store1 > 44.6846386844 ))) 
6 0.1 0.1 peak 998 volume 7.55376 ppm1 4.281 ppm2 0.759
 
! ############### C13_CNnoesy_manual.999 folded +
assi (attr store1 < 8.239 and attr store1 > 8.139 )
     ((attr store1 < 8.226 and attr store1 > 8.166 ) and 
      (bondedto (attr store1 < 117.072722631  and attr store1 > 116.272722631 ) or 
       bondedto (attr store1 < 69.33  and attr store1 > 68.53 ) or 
       bondedto (attr store1 < 21.5872773688  and attr store1 > 20.7872773688 ))) 
6 0.1 0.1 peak 999 volume 6.61253 ppm1 8.196 ppm2 8.189
 
! ############### C13_CNnoesy_manual.1000 folded +
assi (attr store1 < 8.226 and attr store1 > 8.126 )
     ((attr store1 < 8.201 and attr store1 > 8.141 ) and 
      (bondedto (attr store1 < 117.041722631  and attr store1 > 116.241722631 ) or 
       bondedto (attr store1 < 69.299  and attr store1 > 68.499 ) or 
       bondedto (attr store1 < 21.5562773688  and attr store1 > 20.7562773688 ))) 
6 0.1 0.1 peak 1000 volume 8.18019 ppm1 8.171 ppm2 8.176
 
! ############### C13_CNnoesy_manual.1001 folded +
assi (attr store1 < 2.983 and attr store1 > 2.883 )
     ((attr store1 < 2.932 and attr store1 > 2.872 ) and 
      (bondedto (attr store1 < 117.031722631  and attr store1 > 116.231722631 ) or 
       bondedto (attr store1 < 69.289  and attr store1 > 68.489 ) or 
       bondedto (attr store1 < 21.5462773688  and attr store1 > 20.7462773688 ))) 
6 0.1 0.1 peak 1001 volume 12.70063 ppm1 2.902 ppm2 2.933
 
! ############### C13_CNnoesy_manual.1002 folded +
assi (attr store1 < 1.086 and attr store1 > 0.986 )
     ((attr store1 < 0.894 and attr store1 > 0.834 ) and 
      (bondedto (attr store1 < 117.029722631  and attr store1 > 116.229722631 ) or 
       bondedto (attr store1 < 69.287  and attr store1 > 68.487 ) or 
       bondedto (attr store1 < 21.5442773688  and attr store1 > 20.7442773688 ))) 
6 0.1 0.1 peak 1002 volume 95.31699 ppm1 0.864 ppm2 1.036
 
! ############### C13_CNnoesy_manual.1003 folded -
assi (attr store1 < 4.323 and attr store1 > 4.223 )
     ((attr store1 < 8.631 and attr store1 > 8.571 ) and 
      (bondedto (attr store1 < 140.915083947  and attr store1 > 140.115083947 ) or 
       bondedto (attr store1 < 45.4296386844  and attr store1 > 44.6296386844 ))) 
6 0.1 0.1 peak 1003 volume 8.41199 ppm1 8.601 ppm2 4.273
 
! ############### C13_CNnoesy_manual.1004 folded -
assi (attr store1 < 3.684 and attr store1 > 3.584 )
     ((attr store1 < 8.631 and attr store1 > 8.571 ) and 
      (bondedto (attr store1 < 140.923083947  and attr store1 > 140.123083947 ) or 
       bondedto (attr store1 < 45.4376386844  and attr store1 > 44.6376386844 ))) 
6 0.1 0.1 peak 1004 volume 5.75736 ppm1 8.601 ppm2 3.634
 
! ############### C13_CNnoesy_manual.1005 folded -
assi (attr store1 < 2.088 and attr store1 > 1.988 )
     ((attr store1 < 4.32 and attr store1 > 4.26 ) and 
      (bondedto (attr store1 < 140.928083947  and attr store1 > 140.128083947 ) or 
       bondedto (attr store1 < 45.4426386844  and attr store1 > 44.6426386844 ))) 
6 0.1 0.1 peak 1005 volume 5.84973 ppm1 4.290 ppm2 2.038
 
! ############### C13_CNnoesy_manual.1006 folded -
assi (attr store1 < 8.649 and attr store1 > 8.549 )
     ((attr store1 < 4.307 and attr store1 > 4.247 ) and 
      (bondedto (attr store1 < 140.910083947  and attr store1 > 140.110083947 ) or 
       bondedto (attr store1 < 45.4246386844  and attr store1 > 44.6246386844 ))) 
6 0.1 0.1 peak 1006 volume 7.13147 ppm1 4.277 ppm2 8.599
 
! ############### C13_CNnoesy_manual.1007 folded -
assi (attr store1 < 7.748 and attr store1 > 7.648 )
     ((attr store1 < 4.31 and attr store1 > 4.25 ) and 
      (bondedto (attr store1 < 140.956083947  and attr store1 > 140.156083947 ) or 
       bondedto (attr store1 < 45.4706386844  and attr store1 > 44.6706386844 ))) 
6 0.1 0.1 peak 1007 volume 13.50823 ppm1 4.280 ppm2 7.698
 
! ############### C13_CNnoesy_manual.1008 folded -
assi (attr store1 < 4.89 and attr store1 > 4.79 )
     ((attr store1 < 4.31 and attr store1 > 4.25 ) and 
      (bondedto (attr store1 < 140.943083947  and attr store1 > 140.143083947 ) or 
       bondedto (attr store1 < 45.4576386844  and attr store1 > 44.6576386844 ))) 
6 0.1 0.1 peak 1008 volume 16.02768 ppm1 4.280 ppm2 4.840
 
! ############### C13_CNnoesy_manual.1009 folded -
assi (attr store1 < 4.325 and attr store1 > 4.225 )
     ((attr store1 < 4.307 and attr store1 > 4.247 ) and 
      (bondedto (attr store1 < 140.916083947  and attr store1 > 140.116083947 ) or 
       bondedto (attr store1 < 45.4306386844  and attr store1 > 44.6306386844 ))) 
6 0.1 0.1 peak 1009 volume 302.7269 ppm1 4.277 ppm2 4.275
 
! ############### C13_CNnoesy_manual.1010 folded -
assi (attr store1 < 3.68 and attr store1 > 3.58 )
     ((attr store1 < 4.307 and attr store1 > 4.247 ) and 
      (bondedto (attr store1 < 140.905083947  and attr store1 > 140.105083947 ) or 
       bondedto (attr store1 < 45.4196386844  and attr store1 > 44.6196386844 ))) 
6 0.1 0.1 peak 1010 volume 238.70091 ppm1 4.277 ppm2 3.630
 
! ############### C13_CNnoesy_manual.1011 folded -
assi (attr store1 < 1.623 and attr store1 > 1.523 )
     ((attr store1 < 4.306 and attr store1 > 4.246 ) and 
      (bondedto (attr store1 < 140.901083947  and attr store1 > 140.101083947 ) or 
       bondedto (attr store1 < 45.4156386844  and attr store1 > 44.6156386844 ))) 
6 0.1 0.1 peak 1011 volume 15.8576 ppm1 4.276 ppm2 1.573
 
! ############### C13_CNnoesy_manual.1012 folded -
assi (attr store1 < 8.647 and attr store1 > 8.547 )
     ((attr store1 < 3.663 and attr store1 > 3.603 ) and 
      (bondedto (attr store1 < 140.905083947  and attr store1 > 140.105083947 ) or 
       bondedto (attr store1 < 45.4196386844  and attr store1 > 44.6196386844 ))) 
6 0.1 0.1 peak 1012 volume 7.6409 ppm1 3.633 ppm2 8.597
 
! ############### C13_CNnoesy_manual.1013 folded -
assi (attr store1 < 1.614 and attr store1 > 1.514 )
     ((attr store1 < 3.663 and attr store1 > 3.603 ) and 
      (bondedto (attr store1 < 140.928083947  and attr store1 > 140.128083947 ) or 
       bondedto (attr store1 < 45.4426386844  and attr store1 > 44.6426386844 ))) 
6 0.1 0.1 peak 1013 volume 10.93045 ppm1 3.633 ppm2 1.564
 
! ############### C13_CNnoesy_manual.1014 folded -
assi (attr store1 < 7.754 and attr store1 > 7.654 )
     ((attr store1 < 3.661 and attr store1 > 3.601 ) and 
      (bondedto (attr store1 < 140.901083947  and attr store1 > 140.101083947 ) or 
       bondedto (attr store1 < 45.4156386844  and attr store1 > 44.6156386844 ))) 
6 0.1 0.1 peak 1014 volume 11.49442 ppm1 3.631 ppm2 7.704
 
! ############### C13_CNnoesy_manual.1015 folded -
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 3.657 and attr store1 > 3.597 ) and 
      (bondedto (attr store1 < 140.918083947  and attr store1 > 140.118083947 ) or 
       bondedto (attr store1 < 45.4326386844  and attr store1 > 44.6326386844 ))) 
6 0.1 0.1 peak 1015 volume 25.11015 ppm1 3.627 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1016 folded -
assi (attr store1 < 4.328 and attr store1 > 4.228 )
     ((attr store1 < 3.66 and attr store1 > 3.6 ) and 
      (bondedto (attr store1 < 140.904083947  and attr store1 > 140.104083947 ) or 
       bondedto (attr store1 < 45.4186386844  and attr store1 > 44.6186386844 ))) 
6 0.1 0.1 peak 1016 volume 246.93413 ppm1 3.630 ppm2 4.278
 
! ############### C13_CNnoesy_manual.1017 folded -
assi (attr store1 < 3.68 and attr store1 > 3.58 )
     ((attr store1 < 3.66 and attr store1 > 3.6 ) and 
      (bondedto (attr store1 < 140.901083947  and attr store1 > 140.101083947 ) or 
       bondedto (attr store1 < 45.4156386844  and attr store1 > 44.6156386844 ))) 
6 0.1 0.1 peak 1017 volume 288.26611 ppm1 3.630 ppm2 3.630
 
! ############### C13_CNnoesy_manual.1018 folded -
assi (attr store1 < 0.789 and attr store1 > 0.689 )
     ((attr store1 < 3.649 and attr store1 > 3.589 ) and 
      (bondedto (attr store1 < 140.890083947  and attr store1 > 140.090083947 ) or 
       bondedto (attr store1 < 45.4046386844  and attr store1 > 44.6046386844 ))) 
6 0.1 0.1 peak 1018 volume 6.08 ppm1 3.619 ppm2 0.739
 
! ############### C13_CNnoesy_manual.1019 folded -
assi (attr store1 < 2.864 and attr store1 > 2.764 )
     ((attr store1 < 2.848 and attr store1 > 2.788 ) and 
      (bondedto (attr store1 < 140.887083947  and attr store1 > 140.087083947 ) or 
       bondedto (attr store1 < 45.4016386844  and attr store1 > 44.6016386844 ))) 
6 0.1 0.1 peak 1019 volume 68.95245 ppm1 2.818 ppm2 2.814
 
! ############### C13_CNnoesy_manual.1020 folded +
assi (attr store1 < 7.896 and attr store1 > 7.796 )
     ((attr store1 < 0.896 and attr store1 > 0.836 ) and 
      (bondedto (attr store1 < 116.912722631  and attr store1 > 116.112722631 ) or 
       bondedto (attr store1 < 69.17  and attr store1 > 68.37 ) or 
       bondedto (attr store1 < 21.4272773688  and attr store1 > 20.6272773688 ))) 
6 0.1 0.1 peak 1020 volume 16.88375 ppm1 0.866 ppm2 7.846
 
! ############### C13_CNnoesy_manual.1021 folded +
assi (attr store1 < 7.265 and attr store1 > 7.165 )
     ((attr store1 < 0.896 and attr store1 > 0.836 ) and 
      (bondedto (attr store1 < 116.927722631  and attr store1 > 116.127722631 ) or 
       bondedto (attr store1 < 69.185  and attr store1 > 68.385 ) or 
       bondedto (attr store1 < 21.4422773688  and attr store1 > 20.6422773688 ))) 
6 0.1 0.1 peak 1021 volume 6.40302 ppm1 0.866 ppm2 7.215
 
! ############### C13_CNnoesy_manual.1022 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 0.893 and attr store1 > 0.833 ) and 
      (bondedto (attr store1 < 116.933722631  and attr store1 > 116.133722631 ) or 
       bondedto (attr store1 < 69.191  and attr store1 > 68.391 ) or 
       bondedto (attr store1 < 21.4482773688  and attr store1 > 20.6482773688 ))) 
6 0.1 0.1 peak 1022 volume 62.36773 ppm1 0.863 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1023 folded +
assi (attr store1 < 4.214 and attr store1 > 4.114 )
     ((attr store1 < 0.894 and attr store1 > 0.834 ) and 
      (bondedto (attr store1 < 116.951722631  and attr store1 > 116.151722631 ) or 
       bondedto (attr store1 < 69.209  and attr store1 > 68.409 ) or 
       bondedto (attr store1 < 21.4662773688  and attr store1 > 20.6662773688 ))) 
6 0.1 0.1 peak 1023 volume 46.19568 ppm1 0.864 ppm2 4.164
 
! ############### C13_CNnoesy_manual.1024 folded +
assi (attr store1 < 3.929 and attr store1 > 3.829 )
     ((attr store1 < 0.894 and attr store1 > 0.834 ) and 
      (bondedto (attr store1 < 116.916722631  and attr store1 > 116.116722631 ) or 
       bondedto (attr store1 < 69.174  and attr store1 > 68.374 ) or 
       bondedto (attr store1 < 21.4312773688  and attr store1 > 20.6312773688 ))) 
6 0.1 0.1 peak 1024 volume 93.39642 ppm1 0.864 ppm2 3.879
 
! ############### C13_CNnoesy_manual.1025 folded +
assi (attr store1 < 1.185 and attr store1 > 1.085 )
     ((attr store1 < 0.891 and attr store1 > 0.831 ) and 
      (bondedto (attr store1 < 116.967722631  and attr store1 > 116.167722631 ) or 
       bondedto (attr store1 < 69.225  and attr store1 > 68.425 ) or 
       bondedto (attr store1 < 21.4822773688  and attr store1 > 20.6822773688 ))) 
6 0.1 0.1 peak 1025 volume 30.78896 ppm1 0.861 ppm2 1.135
 
! ############### C13_CNnoesy_manual.1026 folded +
assi (attr store1 < 0.915 and attr store1 > 0.815 )
     ((attr store1 < 0.895 and attr store1 > 0.835 ) and 
      (bondedto (attr store1 < 116.920722631  and attr store1 > 116.120722631 ) or 
       bondedto (attr store1 < 69.178  and attr store1 > 68.378 ) or 
       bondedto (attr store1 < 21.4352773688  and attr store1 > 20.6352773688 ))) 
6 0.1 0.1 peak 1026 volume 4813.88721 ppm1 0.865 ppm2 0.865
 
! ############### C13_CNnoesy_manual.1027 folded +
assi (attr store1 < 0.744 and attr store1 > 0.644 )
     ((attr store1 < 0.893 and attr store1 > 0.833 ) and 
      (bondedto (attr store1 < 116.924722631  and attr store1 > 116.124722631 ) or 
       bondedto (attr store1 < 69.182  and attr store1 > 68.382 ) or 
       bondedto (attr store1 < 21.4392773688  and attr store1 > 20.6392773688 ))) 
6 0.1 0.1 peak 1027 volume 66.81905 ppm1 0.863 ppm2 0.694
 
! ############### C13_CNnoesy_manual.1028 folded +
assi (attr store1 < 0.643 and attr store1 > 0.543 )
     ((attr store1 < 0.889 and attr store1 > 0.829 ) and 
      (bondedto (attr store1 < 116.924722631  and attr store1 > 116.124722631 ) or 
       bondedto (attr store1 < 69.182  and attr store1 > 68.382 ) or 
       bondedto (attr store1 < 21.4392773688  and attr store1 > 20.6392773688 ))) 
6 0.1 0.1 peak 1028 volume 19.96437 ppm1 0.859 ppm2 0.593
 
! ############### C13_CNnoesy_manual.1029 folded +
assi (attr store1 < 1.284 and attr store1 > 1.184 )
     ((attr store1 < 0.886 and attr store1 > 0.826 ) and 
      (bondedto (attr store1 < 116.976722631  and attr store1 > 116.176722631 ) or 
       bondedto (attr store1 < 69.234  and attr store1 > 68.434 ) or 
       bondedto (attr store1 < 21.4912773688  and attr store1 > 20.6912773688 ))) 
6 0.1 0.1 peak 1029 volume 20.04290 ppm1 0.856 ppm2 1.234
 
! ############### C13_CNnoesy_manual.1030 folded +
assi (attr store1 < 0.541 and attr store1 > 0.441 )
     ((attr store1 < 0.884 and attr store1 > 0.824 ) and 
      (bondedto (attr store1 < 116.903722631  and attr store1 > 116.103722631 ) or 
       bondedto (attr store1 < 69.161  and attr store1 > 68.361 ) or 
       bondedto (attr store1 < 21.4182773688  and attr store1 > 20.6182773688 ))) 
6 0.1 0.1 peak 1030 volume 11.84902 ppm1 0.854 ppm2 0.491
 
! ############### C13_CNnoesy_manual.1031 folded -
assi (attr store1 < 7.355 and attr store1 > 7.255 )
     ((attr store1 < 7.616 and attr store1 > 7.556 ) and 
      (bondedto (attr store1 < 140.832083947  and attr store1 > 140.032083947 ) or 
       bondedto (attr store1 < 45.3466386844  and attr store1 > 44.5466386844 ))) 
6 0.1 0.1 peak 1031 volume 5.72461 ppm1 7.586 ppm2 7.305
 
! ############### C13_CNnoesy_manual.1032 folded -
assi (attr store1 < 2.486 and attr store1 > 2.386 )
     ((attr store1 < 2.455 and attr store1 > 2.395 ) and 
      (bondedto (attr store1 < 140.782083947  and attr store1 > 139.982083947 ) or 
       bondedto (attr store1 < 45.2966386844  and attr store1 > 44.4966386844 ))) 
6 0.1 0.1 peak 1032 volume 9.1311 ppm1 2.425 ppm2 2.436
 
! ############### C13_CNnoesy_manual.1033 folded -
assi (attr store1 < 2.196 and attr store1 > 2.096 )
     ((attr store1 < 2.173 and attr store1 > 2.113 ) and 
      (bondedto (attr store1 < 140.779083947  and attr store1 > 139.979083947 ) or 
       bondedto (attr store1 < 45.2936386844  and attr store1 > 44.4936386844 ))) 
6 0.1 0.1 peak 1033 volume 50.95552 ppm1 2.143 ppm2 2.146
 
! ############### C13_CNnoesy_manual.1034 folded -
assi (attr store1 < 2.07 and attr store1 > 1.97 )
     ((attr store1 < 2.102 and attr store1 > 2.042 ) and 
      (bondedto (attr store1 < 140.792083947  and attr store1 > 139.992083947 ) or 
       bondedto (attr store1 < 45.3066386844  and attr store1 > 44.5066386844 ))) 
6 0.1 0.1 peak 1034 volume 6.81552 ppm1 2.072 ppm2 2.020
 
! ############### C13_CNnoesy_manual.1035 folded -
assi (attr store1 < 1.909 and attr store1 > 1.809 )
     ((attr store1 < 1.908 and attr store1 > 1.848 ) and 
      (bondedto (attr store1 < 140.795083947  and attr store1 > 139.995083947 ) or 
       bondedto (attr store1 < 45.3096386844  and attr store1 > 44.5096386844 ))) 
6 0.1 0.1 peak 1035 volume 13.23333 ppm1 1.878 ppm2 1.859
 
! ############### C13_CNnoesy_manual.1036 folded -
assi (attr store1 < 1.608 and attr store1 > 1.508 )
     ((attr store1 < 1.594 and attr store1 > 1.534 ) and 
      (bondedto (attr store1 < 140.775083947  and attr store1 > 139.975083947 ) or 
       bondedto (attr store1 < 45.2896386844  and attr store1 > 44.4896386844 ))) 
6 0.1 0.1 peak 1036 volume 292.90927 ppm1 1.564 ppm2 1.558
 
! ############### C13_CNnoesy_manual.1037 folded -
assi (attr store1 < 0.14 and attr store1 > 0.04 )
     ((attr store1 < 0.123 and attr store1 > 0.063 ) and 
      (bondedto (attr store1 < 140.845083947  and attr store1 > 140.045083947 ) or 
       bondedto (attr store1 < 45.3596386844  and attr store1 > 44.5596386844 ))) 
6 0.1 0.1 peak 1037 volume 16.95426 ppm1 0.093 ppm2 0.090
 
! ############### C13_CNnoesy_manual.1038 folded +
assi (attr store1 < 8.013 and attr store1 > 7.913 )
     ((attr store1 < 7.993 and attr store1 > 7.933 ) and 
      (bondedto (attr store1 < 116.892722631  and attr store1 > 116.092722631 ) or 
       bondedto (attr store1 < 69.15  and attr store1 > 68.35 ) or 
       bondedto (attr store1 < 21.4072773688  and attr store1 > 20.6072773688 ))) 
6 0.1 0.1 peak 1038 volume 37.44094 ppm1 7.963 ppm2 7.963
 
! ############### C13_CNnoesy_manual.1039 folded +
assi (attr store1 < 4.552 and attr store1 > 4.452 )
     ((attr store1 < 0.894 and attr store1 > 0.834 ) and 
      (bondedto (attr store1 < 116.893722631  and attr store1 > 116.093722631 ) or 
       bondedto (attr store1 < 69.151  and attr store1 > 68.351 ) or 
       bondedto (attr store1 < 21.4082773688  and attr store1 > 20.6082773688 ))) 
6 0.1 0.1 peak 1039 volume 17.41663 ppm1 0.864 ppm2 4.502
 
! ############### C13_CNnoesy_manual.1040 folded -
assi (attr store1 < 7.65 and attr store1 > 7.55 )
     ((attr store1 < 7.622 and attr store1 > 7.562 ) and 
      (bondedto (attr store1 < 140.759083947  and attr store1 > 139.959083947 ) or 
       bondedto (attr store1 < 45.2736386844  and attr store1 > 44.4736386844 ))) 
6 0.1 0.1 peak 1040 volume 25.29864 ppm1 7.592 ppm2 7.600
 
! ############### C13_CNnoesy_manual.1041 folded +
assi (attr store1 < 7.309 and attr store1 > 7.209 )
     ((attr store1 < 6.773 and attr store1 > 6.713 ) and 
      (bondedto (attr store1 < 116.685722631  and attr store1 > 115.885722631 ) or 
       bondedto (attr store1 < 68.943  and attr store1 > 68.143 ) or 
       bondedto (attr store1 < 21.2002773688  and attr store1 > 20.4002773688 ))) 
6 0.1 0.1 peak 1041 volume 7.89374 ppm1 6.743 ppm2 7.259
 
! ############### C13_CNnoesy_manual.1042 folded +
assi (attr store1 < 6.766 and attr store1 > 6.666 )
     ((attr store1 < 6.749 and attr store1 > 6.689 ) and 
      (bondedto (attr store1 < 116.635722631  and attr store1 > 115.835722631 ) or 
       bondedto (attr store1 < 68.893  and attr store1 > 68.093 ) or 
       bondedto (attr store1 < 21.1502773688  and attr store1 > 20.3502773688 ))) 
6 0.1 0.1 peak 1042 volume 81.79267 ppm1 6.719 ppm2 6.716
 
! ############### C13_CNnoesy_manual.1043 folded +
assi (attr store1 < 4.545 and attr store1 > 4.445 )
     ((attr store1 < 1.497 and attr store1 > 1.437 ) and 
      (bondedto (attr store1 < 116.698722631  and attr store1 > 115.898722631 ) or 
       bondedto (attr store1 < 68.956  and attr store1 > 68.156 ) or 
       bondedto (attr store1 < 21.2132773688  and attr store1 > 20.4132773688 ))) 
6 0.1 0.1 peak 1043 volume 7.11569 ppm1 1.467 ppm2 4.495
 
! ############### C13_CNnoesy_manual.1044 folded +
assi (attr store1 < 4.885 and attr store1 > 4.785 )
     ((attr store1 < 1.05 and attr store1 > 0.99 ) and 
      (bondedto (attr store1 < 116.644722631  and attr store1 > 115.844722631 ) or 
       bondedto (attr store1 < 68.902  and attr store1 > 68.102 ) or 
       bondedto (attr store1 < 21.1592773688  and attr store1 > 20.3592773688 ))) 
6 0.1 0.1 peak 1044 volume 8.85778 ppm1 1.020 ppm2 4.835
 
! ############### C13_CNnoesy_manual.1045 folded +
assi (attr store1 < 7.901 and attr store1 > 7.801 )
     ((attr store1 < 7.893 and attr store1 > 7.833 ) and 
      (bondedto (attr store1 < 116.540722631  and attr store1 > 115.740722631 ) or 
       bondedto (attr store1 < 68.798  and attr store1 > 67.998 ) or 
       bondedto (attr store1 < 21.0552773688  and attr store1 > 20.2552773688 ))) 
6 0.1 0.1 peak 1045 volume 14.30244 ppm1 7.863 ppm2 7.851
 
! ############### C13_CNnoesy_manual.1046 folded +
assi (attr store1 < 7.085 and attr store1 > 6.985 )
     ((attr store1 < 6.741 and attr store1 > 6.681 ) and 
      (bondedto (attr store1 < 116.587722631  and attr store1 > 115.787722631 ) or 
       bondedto (attr store1 < 68.845  and attr store1 > 68.045 ) or 
       bondedto (attr store1 < 21.1022773688  and attr store1 > 20.3022773688 ))) 
6 0.1 0.1 peak 1046 volume 12.49742 ppm1 6.711 ppm2 7.035
 
! ############### C13_CNnoesy_manual.1047 folded +
assi (attr store1 < 6.608 and attr store1 > 6.508 )
     ((attr store1 < 6.587 and attr store1 > 6.527 ) and 
      (bondedto (attr store1 < 116.586722631  and attr store1 > 115.786722631 ) or 
       bondedto (attr store1 < 68.844  and attr store1 > 68.044 ) or 
       bondedto (attr store1 < 21.1012773688  and attr store1 > 20.3012773688 ))) 
6 0.1 0.1 peak 1047 volume 26.32358 ppm1 6.557 ppm2 6.558
 
! ############### C13_CNnoesy_manual.1048 folded +
assi (attr store1 < 1.522 and attr store1 > 1.422 )
     ((attr store1 < 1.501 and attr store1 > 1.441 ) and 
      (bondedto (attr store1 < 116.575722631  and attr store1 > 115.775722631 ) or 
       bondedto (attr store1 < 68.833  and attr store1 > 68.033 ) or 
       bondedto (attr store1 < 21.0902773688  and attr store1 > 20.2902773688 ))) 
6 0.1 0.1 peak 1048 volume 248.35355 ppm1 1.471 ppm2 1.472
 
! ############### C13_CNnoesy_manual.1049 folded -
assi (attr store1 < 0.798 and attr store1 > 0.698 )
     ((attr store1 < 0.779 and attr store1 > 0.719 ) and 
      (bondedto (attr store1 < 140.478083947  and attr store1 > 139.678083947 ) or 
       bondedto (attr store1 < 44.9926386844  and attr store1 > 44.1926386844 ))) 
6 0.1 0.1 peak 1049 volume 55.16959 ppm1 0.749 ppm2 0.748
 
! ############### C13_CNnoesy_manual.1050 folded +
assi (attr store1 < 7.897 and attr store1 > 7.797 )
     ((attr store1 < 7.866 and attr store1 > 7.806 ) and 
      (bondedto (attr store1 < 116.513722631  and attr store1 > 115.713722631 ) or 
       bondedto (attr store1 < 68.771  and attr store1 > 67.971 ) or 
       bondedto (attr store1 < 21.0282773688  and attr store1 > 20.2282773688 ))) 
6 0.1 0.1 peak 1050 volume 13.59270 ppm1 7.836 ppm2 7.847
 
! ############### C13_CNnoesy_manual.1051 folded +
assi (attr store1 < 7.351 and attr store1 > 7.251 )
     ((attr store1 < 7.336 and attr store1 > 7.276 ) and 
      (bondedto (attr store1 < 116.483722631  and attr store1 > 115.683722631 ) or 
       bondedto (attr store1 < 68.741  and attr store1 > 67.941 ) or 
       bondedto (attr store1 < 20.9982773688  and attr store1 > 20.1982773688 ))) 
6 0.1 0.1 peak 1051 volume 12.95948 ppm1 7.306 ppm2 7.301
 
! ############### C13_CNnoesy_manual.1052 folded +
assi (attr store1 < 7.08 and attr store1 > 6.98 )
     ((attr store1 < 7.059 and attr store1 > 6.999 ) and 
      (bondedto (attr store1 < 116.509722631  and attr store1 > 115.709722631 ) or 
       bondedto (attr store1 < 68.767  and attr store1 > 67.967 ) or 
       bondedto (attr store1 < 21.0242773688  and attr store1 > 20.2242773688 ))) 
6 0.1 0.1 peak 1052 volume 31.24801 ppm1 7.029 ppm2 7.030
 
! ############### C13_CNnoesy_manual.1053 folded +
assi (attr store1 < 2.873 and attr store1 > 2.773 )
     ((attr store1 < 2.845 and attr store1 > 2.785 ) and 
      (bondedto (attr store1 < 116.489722631  and attr store1 > 115.689722631 ) or 
       bondedto (attr store1 < 68.747  and attr store1 > 67.947 ) or 
       bondedto (attr store1 < 21.0042773688  and attr store1 > 20.2042773688 ))) 
6 0.1 0.1 peak 1053 volume 42.67570 ppm1 2.815 ppm2 2.823
 
! ############### C13_CNnoesy_manual.1054 folded +
assi (attr store1 < 2.635 and attr store1 > 2.535 )
     ((attr store1 < 2.625 and attr store1 > 2.565 ) and 
      (bondedto (attr store1 < 116.505722631  and attr store1 > 115.705722631 ) or 
       bondedto (attr store1 < 68.763  and attr store1 > 67.963 ) or 
       bondedto (attr store1 < 21.0202773688  and attr store1 > 20.2202773688 ))) 
6 0.1 0.1 peak 1054 volume 7.36853 ppm1 2.595 ppm2 2.585
 
! ############### C13_CNnoesy_manual.1055 folded +
assi (attr store1 < 1.162 and attr store1 > 1.062 )
     ((attr store1 < 1.139 and attr store1 > 1.079 ) and 
      (bondedto (attr store1 < 116.434722631  and attr store1 > 115.634722631 ) or 
       bondedto (attr store1 < 68.692  and attr store1 > 67.892 ) or 
       bondedto (attr store1 < 20.9492773688  and attr store1 > 20.1492773688 ))) 
6 0.1 0.1 peak 1055 volume 99.97382 ppm1 1.109 ppm2 1.112
 
! ############### C13_CNnoesy_manual.1056 folded +
assi (attr store1 < 0.136 and attr store1 > 0.036 )
     ((attr store1 < 0.119 and attr store1 > 0.059 ) and 
      (bondedto (attr store1 < 116.441722631  and attr store1 > 115.641722631 ) or 
       bondedto (attr store1 < 68.699  and attr store1 > 67.899 ) or 
       bondedto (attr store1 < 20.9562773688  and attr store1 > 20.1562773688 ))) 
6 0.1 0.1 peak 1056 volume 12.47865 ppm1 0.089 ppm2 0.086
 
! ############### C13_CNnoesy_manual.1057 folded -
assi (attr store1 < 2.957 and attr store1 > 2.857 )
     ((attr store1 < 2.937 and attr store1 > 2.877 ) and 
      (bondedto (attr store1 < 140.392083947  and attr store1 > 139.592083947 ) or 
       bondedto (attr store1 < 44.9066386844  and attr store1 > 44.1066386844 ))) 
6 0.1 0.1 peak 1057 volume 29.90945 ppm1 2.907 ppm2 2.907
 
! ############### C13_CNnoesy_manual.1058 folded -
assi (attr store1 < 2.532 and attr store1 > 2.432 )
     ((attr store1 < 2.512 and attr store1 > 2.452 ) and 
      (bondedto (attr store1 < 140.355083947  and attr store1 > 139.555083947 ) or 
       bondedto (attr store1 < 44.8696386844  and attr store1 > 44.0696386844 ))) 
6 0.1 0.1 peak 1058 volume 8.41607 ppm1 2.482 ppm2 2.482
 
! ############### C13_CNnoesy_manual.1059 folded -
assi (attr store1 < 1.326 and attr store1 > 1.226 )
     ((attr store1 < 1.31 and attr store1 > 1.25 ) and 
      (bondedto (attr store1 < 140.390083947  and attr store1 > 139.590083947 ) or 
       bondedto (attr store1 < 44.9046386844  and attr store1 > 44.1046386844 ))) 
6 0.1 0.1 peak 1059 volume 44.13292 ppm1 1.280 ppm2 1.276
 
! ############### C13_CNnoesy_manual.1060 folded +
assi (attr store1 < 2.036 and attr store1 > 1.936 )
     ((attr store1 < 2.019 and attr store1 > 1.959 ) and 
      (bondedto (attr store1 < 116.350722631  and attr store1 > 115.550722631 ) or 
       bondedto (attr store1 < 68.608  and attr store1 > 67.808 ) or 
       bondedto (attr store1 < 20.8652773688  and attr store1 > 20.0652773688 ))) 
6 0.1 0.1 peak 1060 volume 20.40257 ppm1 1.989 ppm2 1.986
 
! ############### C13_CNnoesy_manual.1061 folded +
assi (attr store1 < 1.95 and attr store1 > 1.85 )
     ((attr store1 < 1.947 and attr store1 > 1.887 ) and 
      (bondedto (attr store1 < 116.401722631  and attr store1 > 115.601722631 ) or 
       bondedto (attr store1 < 68.659  and attr store1 > 67.859 ) or 
       bondedto (attr store1 < 20.9162773688  and attr store1 > 20.1162773688 ))) 
6 0.1 0.1 peak 1061 volume 28.14288 ppm1 1.917 ppm2 1.900
 
! ############### C13_CNnoesy_manual.1062 folded -
assi (attr store1 < 4.381 and attr store1 > 4.281 )
     ((attr store1 < 8.033 and attr store1 > 7.973 ) and 
      (bondedto (attr store1 < 140.242083947  and attr store1 > 139.442083947 ) or 
       bondedto (attr store1 < 44.7566386844  and attr store1 > 43.9566386844 ))) 
6 0.1 0.1 peak 1062 volume 8.15354 ppm1 8.003 ppm2 4.331
 
! ############### C13_CNnoesy_manual.1063 folded -
assi (attr store1 < 4.131 and attr store1 > 4.031 )
     ((attr store1 < 8.033 and attr store1 > 7.973 ) and 
      (bondedto (attr store1 < 140.213083947  and attr store1 > 139.413083947 ) or 
       bondedto (attr store1 < 44.7276386844  and attr store1 > 43.9276386844 ))) 
6 0.1 0.1 peak 1063 volume 9.04068 ppm1 8.003 ppm2 4.081
 
! ############### C13_CNnoesy_manual.1064 folded -
assi (attr store1 < 2.021 and attr store1 > 1.921 )
     ((attr store1 < 4.351 and attr store1 > 4.291 ) and 
      (bondedto (attr store1 < 140.227083947  and attr store1 > 139.427083947 ) or 
       bondedto (attr store1 < 44.7416386844  and attr store1 > 43.9416386844 ))) 
6 0.1 0.1 peak 1064 volume 6.11638 ppm1 4.321 ppm2 1.971
 
! ############### C13_CNnoesy_manual.1065 folded -
assi (attr store1 < 0.834 and attr store1 > 0.734 )
     ((attr store1 < 4.34 and attr store1 > 4.28 ) and 
      (bondedto (attr store1 < 140.293083947  and attr store1 > 139.493083947 ) or 
       bondedto (attr store1 < 44.8076386844  and attr store1 > 44.0076386844 ))) 
6 0.1 0.1 peak 1065 volume 5.5302 ppm1 4.310 ppm2 0.784
 
! ############### C13_CNnoesy_manual.1066 folded -
assi (attr store1 < 8.054 and attr store1 > 7.954 )
     ((attr store1 < 4.112 and attr store1 > 4.052 ) and 
      (bondedto (attr store1 < 140.219083947  and attr store1 > 139.419083947 ) or 
       bondedto (attr store1 < 44.7336386844  and attr store1 > 43.9336386844 ))) 
6 0.1 0.1 peak 1066 volume 32.84691 ppm1 4.082 ppm2 8.004
 
! ############### C13_CNnoesy_manual.1067 folded -
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 4.11 and attr store1 > 4.05 ) and 
      (bondedto (attr store1 < 140.213083947  and attr store1 > 139.413083947 ) or 
       bondedto (attr store1 < 44.7276386844  and attr store1 > 43.9276386844 ))) 
6 0.1 0.1 peak 1067 volume 17.94914 ppm1 4.080 ppm2 4.838
 
! ############### C13_CNnoesy_manual.1068 folded -
assi (attr store1 < 4.131 and attr store1 > 4.031 )
     ((attr store1 < 4.104 and attr store1 > 4.044 ) and 
      (bondedto (attr store1 < 140.260083947  and attr store1 > 139.460083947 ) or 
       bondedto (attr store1 < 44.7746386844  and attr store1 > 43.9746386844 ))) 
6 0.1 0.1 peak 1068 volume 197.02097 ppm1 4.074 ppm2 4.081
 
! ############### C13_CNnoesy_manual.1069 folded -
assi (attr store1 < 0.97 and attr store1 > 0.87 )
     ((attr store1 < 0.943 and attr store1 > 0.883 ) and 
      (bondedto (attr store1 < 140.280083947  and attr store1 > 139.480083947 ) or 
       bondedto (attr store1 < 44.7946386844  and attr store1 > 43.9946386844 ))) 
6 0.1 0.1 peak 1069 volume 216.0349 ppm1 0.913 ppm2 0.920
 
! ############### C13_CNnoesy_manual.1070 folded +
assi (attr store1 < 7.621 and attr store1 > 7.521 )
     ((attr store1 < 7.608 and attr store1 > 7.548 ) and 
      (bondedto (attr store1 < 116.310722631  and attr store1 > 115.510722631 ) or 
       bondedto (attr store1 < 68.568  and attr store1 > 67.768 ) or 
       bondedto (attr store1 < 20.8252773688  and attr store1 > 20.0252773688 ))) 
6 0.1 0.1 peak 1070 volume 17.24645 ppm1 7.578 ppm2 7.571
 
! ############### C13_CNnoesy_manual.1071 folded +
assi (attr store1 < 7.614 and attr store1 > 7.514 )
     ((attr store1 < 7.578 and attr store1 > 7.518 ) and 
      (bondedto (attr store1 < 116.313722631  and attr store1 > 115.513722631 ) or 
       bondedto (attr store1 < 68.571  and attr store1 > 67.771 ) or 
       bondedto (attr store1 < 20.8282773688  and attr store1 > 20.0282773688 ))) 
6 0.1 0.1 peak 1071 volume 12.00572 ppm1 7.548 ppm2 7.564
 
! ############### C13_CNnoesy_manual.1072 folded +
assi (attr store1 < 7.226 and attr store1 > 7.126 )
     ((attr store1 < 7.199 and attr store1 > 7.139 ) and 
      (bondedto (attr store1 < 116.324722631  and attr store1 > 115.524722631 ) or 
       bondedto (attr store1 < 68.582  and attr store1 > 67.782 ) or 
       bondedto (attr store1 < 20.8392773688  and attr store1 > 20.0392773688 ))) 
6 0.1 0.1 peak 1072 volume 5.66038 ppm1 7.169 ppm2 7.176
 
! ############### C13_CNnoesy_manual.1073 folded +
assi (attr store1 < 7.181 and attr store1 > 7.081 )
     ((attr store1 < 7.19 and attr store1 > 7.13 ) and 
      (bondedto (attr store1 < 116.334722631  and attr store1 > 115.534722631 ) or 
       bondedto (attr store1 < 68.592  and attr store1 > 67.792 ) or 
       bondedto (attr store1 < 20.8492773688  and attr store1 > 20.0492773688 ))) 
6 0.1 0.1 peak 1073 volume 6.45758 ppm1 7.160 ppm2 7.131
 
! ############### C13_CNnoesy_manual.1074 folded +
assi (attr store1 < 1.95 and attr store1 > 1.85 )
     ((attr store1 < 1.925 and attr store1 > 1.865 ) and 
      (bondedto (attr store1 < 116.292722631  and attr store1 > 115.492722631 ) or 
       bondedto (attr store1 < 68.55  and attr store1 > 67.75 ) or 
       bondedto (attr store1 < 20.8072773688  and attr store1 > 20.0072773688 ))) 
6 0.1 0.1 peak 1074 volume 41.76026 ppm1 1.895 ppm2 1.900
 
! ############### C13_CNnoesy_manual.1075 folded +
assi (attr store1 < 1.726 and attr store1 > 1.626 )
     ((attr store1 < 1.703 and attr store1 > 1.643 ) and 
      (bondedto (attr store1 < 116.333722631  and attr store1 > 115.533722631 ) or 
       bondedto (attr store1 < 68.591  and attr store1 > 67.791 ) or 
       bondedto (attr store1 < 20.8482773688  and attr store1 > 20.0482773688 ))) 
6 0.1 0.1 peak 1075 volume 142.43289 ppm1 1.673 ppm2 1.676
 
! ############### C13_CNnoesy_manual.1076 folded -
assi (attr store1 < 4.372 and attr store1 > 4.272 )
     ((attr store1 < 4.356 and attr store1 > 4.296 ) and 
      (bondedto (attr store1 < 140.199083947  and attr store1 > 139.399083947 ) or 
       bondedto (attr store1 < 44.7136386844  and attr store1 > 43.9136386844 ))) 
6 0.1 0.1 peak 1076 volume 193.27818 ppm1 4.326 ppm2 4.322
 
! ############### C13_CNnoesy_manual.1077 folded -
assi (attr store1 < 8.498 and attr store1 > 8.398 )
     ((attr store1 < 4.345 and attr store1 > 4.285 ) and 
      (bondedto (attr store1 < 140.195083947  and attr store1 > 139.395083947 ) or 
       bondedto (attr store1 < 44.7096386844  and attr store1 > 43.9096386844 ))) 
6 0.1 0.1 peak 1077 volume 6.19511 ppm1 4.315 ppm2 8.448
 
! ############### C13_CNnoesy_manual.1078 folded -
assi (attr store1 < 8.051 and attr store1 > 7.951 )
     ((attr store1 < 4.349 and attr store1 > 4.289 ) and 
      (bondedto (attr store1 < 140.207083947  and attr store1 > 139.407083947 ) or 
       bondedto (attr store1 < 44.7216386844  and attr store1 > 43.9216386844 ))) 
6 0.1 0.1 peak 1078 volume 30.97436 ppm1 4.319 ppm2 8.001
 
! ############### C13_CNnoesy_manual.1079 folded -
assi (attr store1 < 4.885 and attr store1 > 4.785 )
     ((attr store1 < 4.351 and attr store1 > 4.291 ) and 
      (bondedto (attr store1 < 140.198083947  and attr store1 > 139.398083947 ) or 
       bondedto (attr store1 < 44.7126386844  and attr store1 > 43.9126386844 ))) 
6 0.1 0.1 peak 1079 volume 21.35628 ppm1 4.321 ppm2 4.835
 
! ############### C13_CNnoesy_manual.1080 folded -
assi (attr store1 < 4.13 and attr store1 > 4.03 )
     ((attr store1 < 4.352 and attr store1 > 4.292 ) and 
      (bondedto (attr store1 < 140.208083947  and attr store1 > 139.408083947 ) or 
       bondedto (attr store1 < 44.7226386844  and attr store1 > 43.9226386844 ))) 
6 0.1 0.1 peak 1080 volume 180.45523 ppm1 4.322 ppm2 4.080
 
! ############### C13_CNnoesy_manual.1081 folded -
assi (attr store1 < 4.372 and attr store1 > 4.272 )
     ((attr store1 < 4.11 and attr store1 > 4.05 ) and 
      (bondedto (attr store1 < 140.206083947  and attr store1 > 139.406083947 ) or 
       bondedto (attr store1 < 44.7206386844  and attr store1 > 43.9206386844 ))) 
6 0.1 0.1 peak 1081 volume 173.41759 ppm1 4.080 ppm2 4.322
 
! ############### C13_CNnoesy_manual.1082 folded -
assi (attr store1 < 0.808 and attr store1 > 0.708 )
     ((attr store1 < 4.113 and attr store1 > 4.053 ) and 
      (bondedto (attr store1 < 140.190083947  and attr store1 > 139.390083947 ) or 
       bondedto (attr store1 < 44.7046386844  and attr store1 > 43.9046386844 ))) 
6 0.1 0.1 peak 1082 volume 5.89752 ppm1 4.083 ppm2 0.758
 
! ############### C13_CNnoesy_manual.1083 folded -
assi (attr store1 < 8.492 and attr store1 > 8.392 )
     ((attr store1 < 4.104 and attr store1 > 4.044 ) and 
      (bondedto (attr store1 < 140.186083947  and attr store1 > 139.386083947 ) or 
       bondedto (attr store1 < 44.7006386844  and attr store1 > 43.9006386844 ))) 
6 0.1 0.1 peak 1083 volume 6.10769 ppm1 4.074 ppm2 8.442
 
! ############### C13_CNnoesy_manual.1084 folded -
assi (attr store1 < 0.948 and attr store1 > 0.848 )
     ((attr store1 < 0.924 and attr store1 > 0.864 ) and 
      (bondedto (attr store1 < 140.201083947  and attr store1 > 139.401083947 ) or 
       bondedto (attr store1 < 44.7156386844  and attr store1 > 43.9156386844 ))) 
6 0.1 0.1 peak 1084 volume 214.02171 ppm1 0.894 ppm2 0.898
 
! ############### C13_CNnoesy_manual.1085 folded +
assi (attr store1 < 7.404 and attr store1 > 7.304 )
     ((attr store1 < 7.407 and attr store1 > 7.347 ) and 
      (bondedto (attr store1 < 116.203722631  and attr store1 > 115.403722631 ) or 
       bondedto (attr store1 < 68.461  and attr store1 > 67.661 ) or 
       bondedto (attr store1 < 20.7182773688  and attr store1 > 19.9182773688 ))) 
6 0.1 0.1 peak 1085 volume 7.46611 ppm1 7.377 ppm2 7.354
 
! ############### C13_CNnoesy_manual.1086 folded +
assi (attr store1 < 3.238 and attr store1 > 3.138 )
     ((attr store1 < 3.238 and attr store1 > 3.178 ) and 
      (bondedto (attr store1 < 116.217722631  and attr store1 > 115.417722631 ) or 
       bondedto (attr store1 < 68.475  and attr store1 > 67.675 ) or 
       bondedto (attr store1 < 20.7322773688  and attr store1 > 19.9322773688 ))) 
6 0.1 0.1 peak 1086 volume 11.58677 ppm1 3.208 ppm2 3.188
 
! ############### C13_CNnoesy_manual.1087 folded +
assi (attr store1 < 2.153 and attr store1 > 2.053 )
     ((attr store1 < 2.161 and attr store1 > 2.101 ) and 
      (bondedto (attr store1 < 116.157722631  and attr store1 > 115.357722631 ) or 
       bondedto (attr store1 < 68.415  and attr store1 > 67.615 ) or 
       bondedto (attr store1 < 20.6722773688  and attr store1 > 19.8722773688 ))) 
6 0.1 0.1 peak 1087 volume 23.15232 ppm1 2.131 ppm2 2.103
 
! ############### C13_CNnoesy_manual.1088 folded +
assi (attr store1 < 2.014 and attr store1 > 1.914 )
     ((attr store1 < 1.99 and attr store1 > 1.93 ) and 
      (bondedto (attr store1 < 116.213722631  and attr store1 > 115.413722631 ) or 
       bondedto (attr store1 < 68.471  and attr store1 > 67.671 ) or 
       bondedto (attr store1 < 20.7282773688  and attr store1 > 19.9282773688 ))) 
6 0.1 0.1 peak 1088 volume 21.61386 ppm1 1.960 ppm2 1.964
 
! ############### C13_CNnoesy_manual.1089 folded +
assi (attr store1 < 1.275 and attr store1 > 1.175 )
     ((attr store1 < 1.25 and attr store1 > 1.19 ) and 
      (bondedto (attr store1 < 116.197722631  and attr store1 > 115.397722631 ) or 
       bondedto (attr store1 < 68.455  and attr store1 > 67.655 ) or 
       bondedto (attr store1 < 20.7122773688  and attr store1 > 19.9122773688 ))) 
6 0.1 0.1 peak 1089 volume 20.21452 ppm1 1.220 ppm2 1.225
 
! ############### C13_CNnoesy_manual.1090 folded -
assi (attr store1 < 3.399 and attr store1 > 3.299 )
     ((attr store1 < 3.382 and attr store1 > 3.322 ) and 
      (bondedto (attr store1 < 140.030083947  and attr store1 > 139.230083947 ) or 
       bondedto (attr store1 < 44.5446386844  and attr store1 > 43.7446386844 ))) 
6 0.1 0.1 peak 1090 volume 34.38954 ppm1 3.352 ppm2 3.349
 
! ############### C13_CNnoesy_manual.1091 folded -
assi (attr store1 < 1.518 and attr store1 > 1.418 )
     ((attr store1 < 1.504 and attr store1 > 1.444 ) and 
      (bondedto (attr store1 < 140.043083947  and attr store1 > 139.243083947 ) or 
       bondedto (attr store1 < 44.5576386844  and attr store1 > 43.7576386844 ))) 
6 0.1 0.1 peak 1091 volume 223.59488 ppm1 1.474 ppm2 1.468
 
! ############### C13_CNnoesy_manual.1092 folded +
assi (attr store1 < 3.83 and attr store1 > 3.73 )
     ((attr store1 < 3.956 and attr store1 > 3.896 ) and 
      (bondedto (attr store1 < 116.123722631  and attr store1 > 115.323722631 ) or 
       bondedto (attr store1 < 68.381  and attr store1 > 67.581 ) or 
       bondedto (attr store1 < 20.6382773688  and attr store1 > 19.8382773688 ))) 
6 0.1 0.1 peak 1092 volume 15.22793 ppm1 3.926 ppm2 3.780
 
! ############### C13_CNnoesy_manual.1093 folded +
assi (attr store1 < 3.213 and attr store1 > 3.113 )
     ((attr store1 < 3.213 and attr store1 > 3.153 ) and 
      (bondedto (attr store1 < 116.115722631  and attr store1 > 115.315722631 ) or 
       bondedto (attr store1 < 68.373  and attr store1 > 67.573 ) or 
       bondedto (attr store1 < 20.6302773688  and attr store1 > 19.8302773688 ))) 
6 0.1 0.1 peak 1093 volume 10.39340 ppm1 3.183 ppm2 3.163
 
! ############### C13_CNnoesy_manual.1094 folded +
assi (attr store1 < 3.136 and attr store1 > 3.036 )
     ((attr store1 < 3.119 and attr store1 > 3.059 ) and 
      (bondedto (attr store1 < 116.087722631  and attr store1 > 115.287722631 ) or 
       bondedto (attr store1 < 68.345  and attr store1 > 67.545 ) or 
       bondedto (attr store1 < 20.6022773688  and attr store1 > 19.8022773688 ))) 
6 0.1 0.1 peak 1094 volume 98.55454 ppm1 3.089 ppm2 3.086
 
! ############### C13_CNnoesy_manual.1095 folded +
assi (attr store1 < 3.036 and attr store1 > 2.936 )
     ((attr store1 < 3.045 and attr store1 > 2.985 ) and 
      (bondedto (attr store1 < 116.091722631  and attr store1 > 115.291722631 ) or 
       bondedto (attr store1 < 68.349  and attr store1 > 67.549 ) or 
       bondedto (attr store1 < 20.6062773688  and attr store1 > 19.8062773688 ))) 
6 0.1 0.1 peak 1095 volume 16.13260 ppm1 3.015 ppm2 2.986
 
! ############### C13_CNnoesy_manual.1096 folded +
assi (attr store1 < 2.496 and attr store1 > 2.396 )
     ((attr store1 < 2.478 and attr store1 > 2.418 ) and 
      (bondedto (attr store1 < 116.109722631  and attr store1 > 115.309722631 ) or 
       bondedto (attr store1 < 68.367  and attr store1 > 67.567 ) or 
       bondedto (attr store1 < 20.6242773688  and attr store1 > 19.8242773688 ))) 
6 0.1 0.1 peak 1096 volume 39.60451 ppm1 2.448 ppm2 2.446
 
! ############### C13_CNnoesy_manual.1097 folded +
assi (attr store1 < 2.308 and attr store1 > 2.208 )
     ((attr store1 < 2.286 and attr store1 > 2.226 ) and 
      (bondedto (attr store1 < 116.066722631  and attr store1 > 115.266722631 ) or 
       bondedto (attr store1 < 68.324  and attr store1 > 67.524 ) or 
       bondedto (attr store1 < 20.5812773688  and attr store1 > 19.7812773688 ))) 
6 0.1 0.1 peak 1097 volume 8.25655 ppm1 2.256 ppm2 2.258
 
! ############### C13_CNnoesy_manual.1098 folded +
assi (attr store1 < 2.104 and attr store1 > 2.004 )
     ((attr store1 < 2.089 and attr store1 > 2.029 ) and 
      (bondedto (attr store1 < 116.138722631  and attr store1 > 115.338722631 ) or 
       bondedto (attr store1 < 68.396  and attr store1 > 67.596 ) or 
       bondedto (attr store1 < 20.6532773688  and attr store1 > 19.8532773688 ))) 
6 0.1 0.1 peak 1098 volume 33.93976 ppm1 2.059 ppm2 2.054
 
! ############### C13_CNnoesy_manual.1099 folded +
assi (attr store1 < 4.305 and attr store1 > 4.205 )
     ((attr store1 < 1.695 and attr store1 > 1.635 ) and 
      (bondedto (attr store1 < 116.125722631  and attr store1 > 115.325722631 ) or 
       bondedto (attr store1 < 68.383  and attr store1 > 67.583 ) or 
       bondedto (attr store1 < 20.6402773688  and attr store1 > 19.8402773688 ))) 
6 0.1 0.1 peak 1099 volume 12.02125 ppm1 1.665 ppm2 4.255
 
! ############### C13_CNnoesy_manual.1100 folded +
assi (attr store1 < 1.608 and attr store1 > 1.508 )
     ((attr store1 < 1.588 and attr store1 > 1.528 ) and 
      (bondedto (attr store1 < 116.063722631  and attr store1 > 115.263722631 ) or 
       bondedto (attr store1 < 68.321  and attr store1 > 67.521 ) or 
       bondedto (attr store1 < 20.5782773688  and attr store1 > 19.7782773688 ))) 
6 0.1 0.1 peak 1100 volume 14259.01465 ppm1 1.558 ppm2 1.558
 
! ############### C13_CNnoesy_manual.1101 folded -
assi (attr store1 < 3.839 and attr store1 > 3.739 )
     ((attr store1 < 3.794 and attr store1 > 3.734 ) and 
      (bondedto (attr store1 < 139.991083947  and attr store1 > 139.191083947 ) or 
       bondedto (attr store1 < 44.5056386844  and attr store1 > 43.7056386844 ))) 
6 0.1 0.1 peak 1101 volume 5.96654 ppm1 3.764 ppm2 3.789
 
! ############### C13_CNnoesy_manual.1102 folded -
assi (attr store1 < 3.895 and attr store1 > 3.795 )
     ((attr store1 < 3.784 and attr store1 > 3.724 ) and 
      (bondedto (attr store1 < 139.972083947  and attr store1 > 139.172083947 ) or 
       bondedto (attr store1 < 44.4866386844  and attr store1 > 43.6866386844 ))) 
6 0.1 0.1 peak 1102 volume 6.54219 ppm1 3.754 ppm2 3.845
 
! ############### C13_CNnoesy_manual.1103 folded -
assi (attr store1 < 4.163 and attr store1 > 4.063 )
     ((attr store1 < 1.587 and attr store1 > 1.527 ) and 
      (bondedto (attr store1 < 139.953083947  and attr store1 > 139.153083947 ) or 
       bondedto (attr store1 < 44.4676386844  and attr store1 > 43.6676386844 ))) 
6 0.1 0.1 peak 1103 volume 51.32137 ppm1 1.557 ppm2 4.113
 
! ############### C13_CNnoesy_manual.1104 folded +
assi (attr store1 < 3.013 and attr store1 > 2.913 )
     ((attr store1 < 3.004 and attr store1 > 2.944 ) and 
      (bondedto (attr store1 < 116.031722631  and attr store1 > 115.231722631 ) or 
       bondedto (attr store1 < 68.289  and attr store1 > 67.489 ) or 
       bondedto (attr store1 < 20.5462773688  and attr store1 > 19.7462773688 ))) 
6 0.1 0.1 peak 1104 volume 15.67686 ppm1 2.974 ppm2 2.963
 
! ############### C13_CNnoesy_manual.1105 folded +
assi (attr store1 < 2.965 and attr store1 > 2.865 )
     ((attr store1 < 2.835 and attr store1 > 2.775 ) and 
      (bondedto (attr store1 < 116.022722631  and attr store1 > 115.222722631 ) or 
       bondedto (attr store1 < 68.28  and attr store1 > 67.48 ) or 
       bondedto (attr store1 < 20.5372773688  and attr store1 > 19.7372773688 ))) 
6 0.1 0.1 peak 1105 volume 6.81904 ppm1 2.805 ppm2 2.915
 
! ############### C13_CNnoesy_manual.1106 folded +
assi (attr store1 < 1.107 and attr store1 > 1.007 )
     ((attr store1 < 1.077 and attr store1 > 1.017 ) and 
      (bondedto (attr store1 < 116.039722631  and attr store1 > 115.239722631 ) or 
       bondedto (attr store1 < 68.297  and attr store1 > 67.497 ) or 
       bondedto (attr store1 < 20.5542773688  and attr store1 > 19.7542773688 ))) 
6 0.1 0.1 peak 1106 volume 202.25571 ppm1 1.047 ppm2 1.057
 
! ############### C13_CNnoesy_manual.1107 folded -
assi (attr store1 < 4.89 and attr store1 > 4.79 )
     ((attr store1 < 1.595 and attr store1 > 1.535 ) and 
      (bondedto (attr store1 < 139.928083947  and attr store1 > 139.128083947 ) or 
       bondedto (attr store1 < 44.4426386844  and attr store1 > 43.6426386844 ))) 
6 0.1 0.1 peak 1107 volume 14.93527 ppm1 1.565 ppm2 4.840
 
! ############### C13_CNnoesy_manual.1108 folded +
assi (attr store1 < 8.015 and attr store1 > 7.915 )
     ((attr store1 < 7.995 and attr store1 > 7.935 ) and 
      (bondedto (attr store1 < 115.892722631  and attr store1 > 115.092722631 ) or 
       bondedto (attr store1 < 68.15  and attr store1 > 67.35 ) or 
       bondedto (attr store1 < 20.4072773688  and attr store1 > 19.6072773688 ))) 
6 0.1 0.1 peak 1108 volume 32.10508 ppm1 7.965 ppm2 7.965
 
! ############### C13_CNnoesy_manual.1109 folded +
assi (attr store1 < 2.962 and attr store1 > 2.862 )
     ((attr store1 < 2.943 and attr store1 > 2.883 ) and 
      (bondedto (attr store1 < 115.921722631  and attr store1 > 115.121722631 ) or 
       bondedto (attr store1 < 68.179  and attr store1 > 67.379 ) or 
       bondedto (attr store1 < 20.4362773688  and attr store1 > 19.6362773688 ))) 
6 0.1 0.1 peak 1109 volume 34.06947 ppm1 2.913 ppm2 2.912
 
! ############### C13_CNnoesy_manual.1110 folded +
assi (attr store1 < 2.56 and attr store1 > 2.46 )
     ((attr store1 < 2.538 and attr store1 > 2.478 ) and 
      (bondedto (attr store1 < 115.907722631  and attr store1 > 115.107722631 ) or 
       bondedto (attr store1 < 68.165  and attr store1 > 67.365 ) or 
       bondedto (attr store1 < 20.4222773688  and attr store1 > 19.6222773688 ))) 
6 0.1 0.1 peak 1110 volume 26.55826 ppm1 2.508 ppm2 2.510
 
! ############### C13_CNnoesy_manual.1111 folded +
assi (attr store1 < 2.271 and attr store1 > 2.171 )
     ((attr store1 < 2.25 and attr store1 > 2.19 ) and 
      (bondedto (attr store1 < 115.939722631  and attr store1 > 115.139722631 ) or 
       bondedto (attr store1 < 68.197  and attr store1 > 67.397 ) or 
       bondedto (attr store1 < 20.4542773688  and attr store1 > 19.6542773688 ))) 
6 0.1 0.1 peak 1111 volume 7.57472 ppm1 2.220 ppm2 2.221
 
! ############### C13_CNnoesy_manual.1112 folded -
assi (attr store1 < 5.523 and attr store1 > 5.423 )
     ((attr store1 < 8.357 and attr store1 > 8.297 ) and 
      (bondedto (attr store1 < 139.764083947  and attr store1 > 138.964083947 ) or 
       bondedto (attr store1 < 44.2786386844  and attr store1 > 43.4786386844 ))) 
6 0.1 0.1 peak 1112 volume 5.91359 ppm1 8.327 ppm2 5.473
 
! ############### C13_CNnoesy_manual.1113 folded -
assi (attr store1 < 5.52 and attr store1 > 5.42 )
     ((attr store1 < 8.186 and attr store1 > 8.126 ) and 
      (bondedto (attr store1 < 139.748083947  and attr store1 > 138.948083947 ) or 
       bondedto (attr store1 < 44.2626386844  and attr store1 > 43.4626386844 ))) 
6 0.1 0.1 peak 1113 volume 13.03193 ppm1 8.156 ppm2 5.470
 
! ############### C13_CNnoesy_manual.1114 folded -
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 8.185 and attr store1 > 8.125 ) and 
      (bondedto (attr store1 < 139.753083947  and attr store1 > 138.953083947 ) or 
       bondedto (attr store1 < 44.2676386844  and attr store1 > 43.4676386844 ))) 
6 0.1 0.1 peak 1114 volume 11.87662 ppm1 8.155 ppm2 4.838
 
! ############### C13_CNnoesy_manual.1115 folded -
assi (attr store1 < 5.514 and attr store1 > 5.414 )
     ((attr store1 < 8.061 and attr store1 > 8.001 ) and 
      (bondedto (attr store1 < 139.779083947  and attr store1 > 138.979083947 ) or 
       bondedto (attr store1 < 44.2936386844  and attr store1 > 43.4936386844 ))) 
6 0.1 0.1 peak 1115 volume 7.05664 ppm1 8.031 ppm2 5.464
 
! ############### C13_CNnoesy_manual.1116 folded -
assi (attr store1 < 7.507 and attr store1 > 7.407 )
     ((attr store1 < 7.487 and attr store1 > 7.427 ) and 
      (bondedto (attr store1 < 139.837083947  and attr store1 > 139.037083947 ) or 
       bondedto (attr store1 < 44.3516386844  and attr store1 > 43.5516386844 ))) 
6 0.1 0.1 peak 1116 volume 26.57292 ppm1 7.457 ppm2 7.457
 
! ############### C13_CNnoesy_manual.1117 folded +
assi (attr store1 < 1.821 and attr store1 > 1.721 )
     ((attr store1 < 1.795 and attr store1 > 1.735 ) and 
      (bondedto (attr store1 < 115.870722631  and attr store1 > 115.070722631 ) or 
       bondedto (attr store1 < 68.128  and attr store1 > 67.328 ) or 
       bondedto (attr store1 < 20.3852773688  and attr store1 > 19.5852773688 ))) 
6 0.1 0.1 peak 1117 volume 165.00438 ppm1 1.765 ppm2 1.771
 
! ############### C13_CNnoesy_manual.1118 folded +
assi (attr store1 < 0.8 and attr store1 > 0.7 )
     ((attr store1 < 0.78 and attr store1 > 0.72 ) and 
      (bondedto (attr store1 < 115.809722631  and attr store1 > 115.009722631 ) or 
       bondedto (attr store1 < 68.067  and attr store1 > 67.267 ) or 
       bondedto (attr store1 < 20.3242773688  and attr store1 > 19.5242773688 ))) 
6 0.1 0.1 peak 1118 volume 145.30435 ppm1 0.750 ppm2 0.750
 
! ############### C13_CNnoesy_manual.1119 folded -
assi (attr store1 < 8.229 and attr store1 > 8.129 )
     ((attr store1 < 8.237 and attr store1 > 8.177 ) and 
      (bondedto (attr store1 < 139.738083947  and attr store1 > 138.938083947 ) or 
       bondedto (attr store1 < 44.2526386844  and attr store1 > 43.4526386844 ))) 
6 0.1 0.1 peak 1119 volume 167.52641 ppm1 8.207 ppm2 8.179
 
! ############### C13_CNnoesy_manual.1120 folded -
assi (attr store1 < 5.518 and attr store1 > 5.418 )
     ((attr store1 < 8.235 and attr store1 > 8.175 ) and 
      (bondedto (attr store1 < 139.733083947  and attr store1 > 138.933083947 ) or 
       bondedto (attr store1 < 44.2476386844  and attr store1 > 43.4476386844 ))) 
6 0.1 0.1 peak 1120 volume 13.51322 ppm1 8.205 ppm2 5.468
 
! ############### C13_CNnoesy_manual.1121 folded -
assi (attr store1 < 4.886 and attr store1 > 4.786 )
     ((attr store1 < 8.234 and attr store1 > 8.174 ) and 
      (bondedto (attr store1 < 139.739083947  and attr store1 > 138.939083947 ) or 
       bondedto (attr store1 < 44.2536386844  and attr store1 > 43.4536386844 ))) 
6 0.1 0.1 peak 1121 volume 11.61415 ppm1 8.204 ppm2 4.836
 
! ############### C13_CNnoesy_manual.1122 folded -
assi (attr store1 < 8.23 and attr store1 > 8.13 )
     ((attr store1 < 8.183 and attr store1 > 8.123 ) and 
      (bondedto (attr store1 < 139.728083947  and attr store1 > 138.928083947 ) or 
       bondedto (attr store1 < 44.2426386844  and attr store1 > 43.4426386844 ))) 
6 0.1 0.1 peak 1122 volume 159.30241 ppm1 8.153 ppm2 8.180
 
! ############### C13_CNnoesy_manual.1123 folded -
assi (attr store1 < 5.52 and attr store1 > 5.42 )
     ((attr store1 < 8.039 and attr store1 > 7.979 ) and 
      (bondedto (attr store1 < 139.729083947  and attr store1 > 138.929083947 ) or 
       bondedto (attr store1 < 44.2436386844  and attr store1 > 43.4436386844 ))) 
6 0.1 0.1 peak 1123 volume 5.917 ppm1 8.009 ppm2 5.470
 
! ############### C13_CNnoesy_manual.1124 folded -
assi (attr store1 < 6.905 and attr store1 > 6.805 )
     ((attr store1 < 6.883 and attr store1 > 6.823 ) and 
      (bondedto (attr store1 < 139.659083947  and attr store1 > 138.859083947 ) or 
       bondedto (attr store1 < 44.1736386844  and attr store1 > 43.3736386844 ))) 
6 0.1 0.1 peak 1124 volume 12.24408 ppm1 6.853 ppm2 6.855
 
! ############### C13_CNnoesy_manual.1125 folded -
assi (attr store1 < 1.184 and attr store1 > 1.084 )
     ((attr store1 < 1.168 and attr store1 > 1.108 ) and 
      (bondedto (attr store1 < 139.719083947  and attr store1 > 138.919083947 ) or 
       bondedto (attr store1 < 44.2336386844  and attr store1 > 43.4336386844 ))) 
6 0.1 0.1 peak 1125 volume 52.72651 ppm1 1.138 ppm2 1.134
 
! ############### C13_CNnoesy_manual.1126 folded -
assi (attr store1 < 0.144 and attr store1 > 0.044 )
     ((attr store1 < 0.129 and attr store1 > 0.069 ) and 
      (bondedto (attr store1 < 139.710083947  and attr store1 > 138.910083947 ) or 
       bondedto (attr store1 < 44.2246386844  and attr store1 > 43.4246386844 ))) 
6 0.1 0.1 peak 1126 volume 12.64317 ppm1 0.099 ppm2 0.094
 
! ############### C13_CNnoesy_manual.1127 folded +
assi (attr store1 < 9.269 and attr store1 > 9.169 )
     ((attr store1 < 4.459 and attr store1 > 4.399 ) and 
      (bondedto (attr store1 < 115.690722631  and attr store1 > 114.890722631 ) or 
       bondedto (attr store1 < 67.948  and attr store1 > 67.148 ) or 
       bondedto (attr store1 < 20.2052773688  and attr store1 > 19.4052773688 ))) 
6 0.1 0.1 peak 1127 volume 7.53517 ppm1 4.429 ppm2 9.219
 
! ############### C13_CNnoesy_manual.1128 folded +
assi (attr store1 < 1.45 and attr store1 > 1.35 )
     ((attr store1 < 4.453 and attr store1 > 4.393 ) and 
      (bondedto (attr store1 < 115.687722631  and attr store1 > 114.887722631 ) or 
       bondedto (attr store1 < 67.945  and attr store1 > 67.145 ) or 
       bondedto (attr store1 < 20.2022773688  and attr store1 > 19.4022773688 ))) 
6 0.1 0.1 peak 1128 volume 47.76947 ppm1 4.423 ppm2 1.400
 
! ############### C13_CNnoesy_manual.1129 folded +
assi (attr store1 < 6.574 and attr store1 > 6.474 )
     ((attr store1 < 4.443 and attr store1 > 4.383 ) and 
      (bondedto (attr store1 < 115.731722631  and attr store1 > 114.931722631 ) or 
       bondedto (attr store1 < 67.989  and attr store1 > 67.189 ) or 
       bondedto (attr store1 < 20.2462773688  and attr store1 > 19.4462773688 ))) 
6 0.1 0.1 peak 1129 volume 6.45042 ppm1 4.413 ppm2 6.524
 
! ############### C13_CNnoesy_manual.1130 folded +
assi (attr store1 < 9.263 and attr store1 > 9.163 )
     ((attr store1 < 3.833 and attr store1 > 3.773 ) and 
      (bondedto (attr store1 < 115.724722631  and attr store1 > 114.924722631 ) or 
       bondedto (attr store1 < 67.982  and attr store1 > 67.182 ) or 
       bondedto (attr store1 < 20.2392773688  and attr store1 > 19.4392773688 ))) 
6 0.1 0.1 peak 1130 volume 12.01599 ppm1 3.803 ppm2 9.213
 
! ############### C13_CNnoesy_manual.1131 folded +
assi (attr store1 < 8.748 and attr store1 > 8.648 )
     ((attr store1 < 3.833 and attr store1 > 3.773 ) and 
      (bondedto (attr store1 < 115.718722631  and attr store1 > 114.918722631 ) or 
       bondedto (attr store1 < 67.976  and attr store1 > 67.176 ) or 
       bondedto (attr store1 < 20.2332773688  and attr store1 > 19.4332773688 ))) 
6 0.1 0.1 peak 1131 volume 11.25888 ppm1 3.803 ppm2 8.698
 
! ############### C13_CNnoesy_manual.1132 folded +
assi (attr store1 < 1.451 and attr store1 > 1.351 )
     ((attr store1 < 3.838 and attr store1 > 3.778 ) and 
      (bondedto (attr store1 < 115.720722631  and attr store1 > 114.920722631 ) or 
       bondedto (attr store1 < 67.978  and attr store1 > 67.178 ) or 
       bondedto (attr store1 < 20.2352773688  and attr store1 > 19.4352773688 ))) 
6 0.1 0.1 peak 1132 volume 56.57043 ppm1 3.808 ppm2 1.401
 
! ############### C13_CNnoesy_manual.1133 folded +
assi (attr store1 < 8.241 and attr store1 > 8.141 )
     ((attr store1 < 3.832 and attr store1 > 3.772 ) and 
      (bondedto (attr store1 < 115.721722631  and attr store1 > 114.921722631 ) or 
       bondedto (attr store1 < 67.979  and attr store1 > 67.179 ) or 
       bondedto (attr store1 < 20.2362773688  and attr store1 > 19.4362773688 ))) 
6 0.1 0.1 peak 1133 volume 11.36892 ppm1 3.802 ppm2 8.191
 
! ############### C13_CNnoesy_manual.1134 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 3.83 and attr store1 > 3.77 ) and 
      (bondedto (attr store1 < 115.719722631  and attr store1 > 114.919722631 ) or 
       bondedto (attr store1 < 67.977  and attr store1 > 67.177 ) or 
       bondedto (attr store1 < 20.2342773688  and attr store1 > 19.4342773688 ))) 
6 0.1 0.1 peak 1134 volume 17.14190 ppm1 3.800 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1135 folded +
assi (attr store1 < 4.474 and attr store1 > 4.374 )
     ((attr store1 < 3.832 and attr store1 > 3.772 ) and 
      (bondedto (attr store1 < 115.699722631  and attr store1 > 114.899722631 ) or 
       bondedto (attr store1 < 67.957  and attr store1 > 67.157 ) or 
       bondedto (attr store1 < 20.2142773688  and attr store1 > 19.4142773688 ))) 
6 0.1 0.1 peak 1135 volume 89.71845 ppm1 3.802 ppm2 4.424
 
! ############### C13_CNnoesy_manual.1136 folded +
assi (attr store1 < 3.849 and attr store1 > 3.749 )
     ((attr store1 < 3.831 and attr store1 > 3.771 ) and 
      (bondedto (attr store1 < 115.687722631  and attr store1 > 114.887722631 ) or 
       bondedto (attr store1 < 67.945  and attr store1 > 67.145 ) or 
       bondedto (attr store1 < 20.2022773688  and attr store1 > 19.4022773688 ))) 
6 0.1 0.1 peak 1136 volume 186.15315 ppm1 3.801 ppm2 3.799
 
! ############### C13_CNnoesy_manual.1137 folded +
assi (attr store1 < 2.078 and attr store1 > 1.978 )
     ((attr store1 < 3.832 and attr store1 > 3.772 ) and 
      (bondedto (attr store1 < 115.712722631  and attr store1 > 114.912722631 ) or 
       bondedto (attr store1 < 67.97  and attr store1 > 67.17 ) or 
       bondedto (attr store1 < 20.2272773688  and attr store1 > 19.4272773688 ))) 
6 0.1 0.1 peak 1137 volume 29.40153 ppm1 3.802 ppm2 2.028
 
! ############### C13_CNnoesy_manual.1138 folded +
assi (attr store1 < 1.083 and attr store1 > 0.983 )
     ((attr store1 < 3.831 and attr store1 > 3.771 ) and 
      (bondedto (attr store1 < 115.712722631  and attr store1 > 114.912722631 ) or 
       bondedto (attr store1 < 67.97  and attr store1 > 67.17 ) or 
       bondedto (attr store1 < 20.2272773688  and attr store1 > 19.4272773688 ))) 
6 0.1 0.1 peak 1138 volume 22.34082 ppm1 3.801 ppm2 1.033
 
! ############### C13_CNnoesy_manual.1139 folded +
assi (attr store1 < 0.928 and attr store1 > 0.828 )
     ((attr store1 < 3.831 and attr store1 > 3.771 ) and 
      (bondedto (attr store1 < 115.718722631  and attr store1 > 114.918722631 ) or 
       bondedto (attr store1 < 67.976  and attr store1 > 67.176 ) or 
       bondedto (attr store1 < 20.2332773688  and attr store1 > 19.4332773688 ))) 
6 0.1 0.1 peak 1139 volume 34.26818 ppm1 3.801 ppm2 0.878
 
! ############### C13_CNnoesy_manual.1140 folded +
assi (attr store1 < 2.264 and attr store1 > 2.164 )
     ((attr store1 < 2.247 and attr store1 > 2.187 ) and 
      (bondedto (attr store1 < 115.695722631  and attr store1 > 114.895722631 ) or 
       bondedto (attr store1 < 67.953  and attr store1 > 67.153 ) or 
       bondedto (attr store1 < 20.2102773688  and attr store1 > 19.4102773688 ))) 
6 0.1 0.1 peak 1140 volume 7.70848 ppm1 2.217 ppm2 2.214
 
! ############### C13_CNnoesy_manual.1141 folded +
assi (attr store1 < 2.109 and attr store1 > 2.009 )
     ((attr store1 < 2.252 and attr store1 > 2.192 ) and 
      (bondedto (attr store1 < 115.724722631  and attr store1 > 114.924722631 ) or 
       bondedto (attr store1 < 67.982  and attr store1 > 67.182 ) or 
       bondedto (attr store1 < 20.2392773688  and attr store1 > 19.4392773688 ))) 
6 0.1 0.1 peak 1141 volume 14.87169 ppm1 2.222 ppm2 2.059
 
! ############### C13_CNnoesy_manual.1142 folded +
assi (attr store1 < 2.261 and attr store1 > 2.161 )
     ((attr store1 < 2.087 and attr store1 > 2.027 ) and 
      (bondedto (attr store1 < 115.708722631  and attr store1 > 114.908722631 ) or 
       bondedto (attr store1 < 67.966  and attr store1 > 67.166 ) or 
       bondedto (attr store1 < 20.2232773688  and attr store1 > 19.4232773688 ))) 
6 0.1 0.1 peak 1142 volume 16.65528 ppm1 2.057 ppm2 2.211
 
! ############### C13_CNnoesy_manual.1143 folded +
assi (attr store1 < 2.629 and attr store1 > 2.529 )
     ((attr store1 < 1.394 and attr store1 > 1.334 ) and 
      (bondedto (attr store1 < 115.698722631  and attr store1 > 114.898722631 ) or 
       bondedto (attr store1 < 67.956  and attr store1 > 67.156 ) or 
       bondedto (attr store1 < 20.2132773688  and attr store1 > 19.4132773688 ))) 
6 0.1 0.1 peak 1143 volume 7.85382 ppm1 1.364 ppm2 2.579
 
! ############### C13_CNnoesy_manual.1144 folded +
assi (attr store1 < 2.348 and attr store1 > 2.248 )
     ((attr store1 < 1.392 and attr store1 > 1.332 ) and 
      (bondedto (attr store1 < 115.708722631  and attr store1 > 114.908722631 ) or 
       bondedto (attr store1 < 67.966  and attr store1 > 67.166 ) or 
       bondedto (attr store1 < 20.2232773688  and attr store1 > 19.4232773688 ))) 
6 0.1 0.1 peak 1144 volume 7.77390 ppm1 1.362 ppm2 2.298
 
! ############### C13_CNnoesy_manual.1145 folded +
assi (attr store1 < 2.011 and attr store1 > 1.911 )
     ((attr store1 < 1.391 and attr store1 > 1.331 ) and 
      (bondedto (attr store1 < 115.690722631  and attr store1 > 114.890722631 ) or 
       bondedto (attr store1 < 67.948  and attr store1 > 67.148 ) or 
       bondedto (attr store1 < 20.2052773688  and attr store1 > 19.4052773688 ))) 
6 0.1 0.1 peak 1145 volume 17.47747 ppm1 1.361 ppm2 1.961
 
! ############### C13_CNnoesy_manual.1146 folded +
assi (attr store1 < 1.886 and attr store1 > 1.786 )
     ((attr store1 < 1.392 and attr store1 > 1.332 ) and 
      (bondedto (attr store1 < 115.705722631  and attr store1 > 114.905722631 ) or 
       bondedto (attr store1 < 67.963  and attr store1 > 67.163 ) or 
       bondedto (attr store1 < 20.2202773688  and attr store1 > 19.4202773688 ))) 
6 0.1 0.1 peak 1146 volume 9.94006 ppm1 1.362 ppm2 1.836
 
! ############### C13_CNnoesy_manual.1147 folded +
assi (attr store1 < 1.806 and attr store1 > 1.706 )
     ((attr store1 < 1.389 and attr store1 > 1.329 ) and 
      (bondedto (attr store1 < 115.696722631  and attr store1 > 114.896722631 ) or 
       bondedto (attr store1 < 67.954  and attr store1 > 67.154 ) or 
       bondedto (attr store1 < 20.2112773688  and attr store1 > 19.4112773688 ))) 
6 0.1 0.1 peak 1147 volume 10.38861 ppm1 1.359 ppm2 1.756
 
! ############### C13_CNnoesy_manual.1148 folded +
assi (attr store1 < 8.744 and attr store1 > 8.644 )
     ((attr store1 < 4.452 and attr store1 > 4.392 ) and 
      (bondedto (attr store1 < 115.657722631  and attr store1 > 114.857722631 ) or 
       bondedto (attr store1 < 67.915  and attr store1 > 67.115 ) or 
       bondedto (attr store1 < 20.1722773688  and attr store1 > 19.3722773688 ))) 
6 0.1 0.1 peak 1148 volume 9.65414 ppm1 4.422 ppm2 8.694
 
! ############### C13_CNnoesy_manual.1149 folded +
assi (attr store1 < 8.23 and attr store1 > 8.13 )
     ((attr store1 < 4.453 and attr store1 > 4.393 ) and 
      (bondedto (attr store1 < 115.654722631  and attr store1 > 114.854722631 ) or 
       bondedto (attr store1 < 67.912  and attr store1 > 67.112 ) or 
       bondedto (attr store1 < 20.1692773688  and attr store1 > 19.3692773688 ))) 
6 0.1 0.1 peak 1149 volume 5.87487 ppm1 4.423 ppm2 8.180
 
! ############### C13_CNnoesy_manual.1150 folded +
assi (attr store1 < 4.469 and attr store1 > 4.369 )
     ((attr store1 < 4.451 and attr store1 > 4.391 ) and 
      (bondedto (attr store1 < 115.665722631  and attr store1 > 114.865722631 ) or 
       bondedto (attr store1 < 67.923  and attr store1 > 67.123 ) or 
       bondedto (attr store1 < 20.1802773688  and attr store1 > 19.3802773688 ))) 
6 0.1 0.1 peak 1150 volume 198.11345 ppm1 4.421 ppm2 4.419
 
! ############### C13_CNnoesy_manual.1151 folded +
assi (attr store1 < 3.852 and attr store1 > 3.752 )
     ((attr store1 < 4.453 and attr store1 > 4.393 ) and 
      (bondedto (attr store1 < 115.685722631  and attr store1 > 114.885722631 ) or 
       bondedto (attr store1 < 67.943  and attr store1 > 67.143 ) or 
       bondedto (attr store1 < 20.2002773688  and attr store1 > 19.4002773688 ))) 
6 0.1 0.1 peak 1151 volume 107.67916 ppm1 4.423 ppm2 3.802
 
! ############### C13_CNnoesy_manual.1152 folded +
assi (attr store1 < 2.071 and attr store1 > 1.971 )
     ((attr store1 < 4.453 and attr store1 > 4.393 ) and 
      (bondedto (attr store1 < 115.666722631  and attr store1 > 114.866722631 ) or 
       bondedto (attr store1 < 67.924  and attr store1 > 67.124 ) or 
       bondedto (attr store1 < 20.1812773688  and attr store1 > 19.3812773688 ))) 
6 0.1 0.1 peak 1152 volume 18.86640 ppm1 4.423 ppm2 2.021
 
! ############### C13_CNnoesy_manual.1153 folded +
assi (attr store1 < 1.083 and attr store1 > 0.983 )
     ((attr store1 < 4.453 and attr store1 > 4.393 ) and 
      (bondedto (attr store1 < 115.670722631  and attr store1 > 114.870722631 ) or 
       bondedto (attr store1 < 67.928  and attr store1 > 67.128 ) or 
       bondedto (attr store1 < 20.1852773688  and attr store1 > 19.3852773688 ))) 
6 0.1 0.1 peak 1153 volume 31.11616 ppm1 4.423 ppm2 1.033
 
! ############### C13_CNnoesy_manual.1154 folded +
assi (attr store1 < 0.945 and attr store1 > 0.845 )
     ((attr store1 < 4.452 and attr store1 > 4.392 ) and 
      (bondedto (attr store1 < 115.651722631  and attr store1 > 114.851722631 ) or 
       bondedto (attr store1 < 67.909  and attr store1 > 67.109 ) or 
       bondedto (attr store1 < 20.1662773688  and attr store1 > 19.3662773688 ))) 
6 0.1 0.1 peak 1154 volume 27.88779 ppm1 4.422 ppm2 0.895
 
! ############### C13_CNnoesy_manual.1155 folded +
assi (attr store1 < 4.43 and attr store1 > 4.33 )
     ((attr store1 < 4.412 and attr store1 > 4.352 ) and 
      (bondedto (attr store1 < 115.599722631  and attr store1 > 114.799722631 ) or 
       bondedto (attr store1 < 67.857  and attr store1 > 67.057 ) or 
       bondedto (attr store1 < 20.1142773688  and attr store1 > 19.3142773688 ))) 
6 0.1 0.1 peak 1155 volume 199.50610 ppm1 4.382 ppm2 4.380
 
! ############### C13_CNnoesy_manual.1156 folded +
assi (attr store1 < 7.674 and attr store1 > 7.574 )
     ((attr store1 < 4.4 and attr store1 > 4.34 ) and 
      (bondedto (attr store1 < 115.611722631  and attr store1 > 114.811722631 ) or 
       bondedto (attr store1 < 67.869  and attr store1 > 67.069 ) or 
       bondedto (attr store1 < 20.1262773688  and attr store1 > 19.3262773688 ))) 
6 0.1 0.1 peak 1156 volume 5.65038 ppm1 4.370 ppm2 7.624
 
! ############### C13_CNnoesy_manual.1157 folded +
assi (attr store1 < 4.403 and attr store1 > 4.303 )
     ((attr store1 < 4.335 and attr store1 > 4.275 ) and 
      (bondedto (attr store1 < 115.624722631  and attr store1 > 114.824722631 ) or 
       bondedto (attr store1 < 67.882  and attr store1 > 67.082 ) or 
       bondedto (attr store1 < 20.1392773688  and attr store1 > 19.3392773688 ))) 
6 0.1 0.1 peak 1157 volume 10.52679 ppm1 4.305 ppm2 4.353
 
! ############### C13_CNnoesy_manual.1158 folded +
assi (attr store1 < 7.677 and attr store1 > 7.577 )
     ((attr store1 < 4.094 and attr store1 > 4.034 ) and 
      (bondedto (attr store1 < 115.597722631  and attr store1 > 114.797722631 ) or 
       bondedto (attr store1 < 67.855  and attr store1 > 67.055 ) or 
       bondedto (attr store1 < 20.1122773688  and attr store1 > 19.3122773688 ))) 
6 0.1 0.1 peak 1158 volume 7.30023 ppm1 4.064 ppm2 7.627
 
! ############### C13_CNnoesy_manual.1159 folded +
assi (attr store1 < 4.123 and attr store1 > 4.023 )
     ((attr store1 < 4.097 and attr store1 > 4.037 ) and 
      (bondedto (attr store1 < 115.599722631  and attr store1 > 114.799722631 ) or 
       bondedto (attr store1 < 67.857  and attr store1 > 67.057 ) or 
       bondedto (attr store1 < 20.1142773688  and attr store1 > 19.3142773688 ))) 
6 0.1 0.1 peak 1159 volume 177.63062 ppm1 4.067 ppm2 4.073
 
! ############### C13_CNnoesy_manual.1160 folded +
assi (attr store1 < 3.313 and attr store1 > 3.213 )
     ((attr store1 < 3.508 and attr store1 > 3.448 ) and 
      (bondedto (attr store1 < 115.648722631  and attr store1 > 114.848722631 ) or 
       bondedto (attr store1 < 67.906  and attr store1 > 67.106 ) or 
       bondedto (attr store1 < 20.1632773688  and attr store1 > 19.3632773688 ))) 
6 0.1 0.1 peak 1160 volume 6.61239 ppm1 3.478 ppm2 3.263
 
! ############### C13_CNnoesy_manual.1161 folded +
assi (attr store1 < 4.154 and attr store1 > 4.054 )
     ((attr store1 < 1.615 and attr store1 > 1.555 ) and 
      (bondedto (attr store1 < 115.652722631  and attr store1 > 114.852722631 ) or 
       bondedto (attr store1 < 67.91  and attr store1 > 67.11 ) or 
       bondedto (attr store1 < 20.1672773688  and attr store1 > 19.3672773688 ))) 
6 0.1 0.1 peak 1161 volume 15.44321 ppm1 1.585 ppm2 4.104
 
! ############### C13_CNnoesy_manual.1162 folded +
assi (attr store1 < 4.062 and attr store1 > 3.962 )
     ((attr store1 < 1.599 and attr store1 > 1.539 ) and 
      (bondedto (attr store1 < 115.653722631  and attr store1 > 114.853722631 ) or 
       bondedto (attr store1 < 67.911  and attr store1 > 67.111 ) or 
       bondedto (attr store1 < 20.1682773688  and attr store1 > 19.3682773688 ))) 
6 0.1 0.1 peak 1162 volume 5.92862 ppm1 1.569 ppm2 4.012
 
! ############### C13_CNnoesy_manual.1163 folded +
assi (attr store1 < 4.469 and attr store1 > 4.369 )
     ((attr store1 < 1.431 and attr store1 > 1.371 ) and 
      (bondedto (attr store1 < 115.625722631  and attr store1 > 114.825722631 ) or 
       bondedto (attr store1 < 67.883  and attr store1 > 67.083 ) or 
       bondedto (attr store1 < 20.1402773688  and attr store1 > 19.3402773688 ))) 
6 0.1 0.1 peak 1163 volume 11.97851 ppm1 1.401 ppm2 4.419
 
! ############### C13_CNnoesy_manual.1164 folded +
assi (attr store1 < 8.71 and attr store1 > 8.61 )
     ((attr store1 < 1.395 and attr store1 > 1.335 ) and 
      (bondedto (attr store1 < 115.641722631  and attr store1 > 114.841722631 ) or 
       bondedto (attr store1 < 67.899  and attr store1 > 67.099 ) or 
       bondedto (attr store1 < 20.1562773688  and attr store1 > 19.3562773688 ))) 
6 0.1 0.1 peak 1164 volume 72.80090 ppm1 1.365 ppm2 8.660
 
! ############### C13_CNnoesy_manual.1165 folded +
assi (attr store1 < 8.47 and attr store1 > 8.37 )
     ((attr store1 < 1.393 and attr store1 > 1.333 ) and 
      (bondedto (attr store1 < 115.625722631  and attr store1 > 114.825722631 ) or 
       bondedto (attr store1 < 67.883  and attr store1 > 67.083 ) or 
       bondedto (attr store1 < 20.1402773688  and attr store1 > 19.3402773688 ))) 
6 0.1 0.1 peak 1165 volume 6.04597 ppm1 1.363 ppm2 8.420
 
! ############### C13_CNnoesy_manual.1166 folded +
assi (attr store1 < 8.163 and attr store1 > 8.063 )
     ((attr store1 < 1.395 and attr store1 > 1.335 ) and 
      (bondedto (attr store1 < 115.638722631  and attr store1 > 114.838722631 ) or 
       bondedto (attr store1 < 67.896  and attr store1 > 67.096 ) or 
       bondedto (attr store1 < 20.1532773688  and attr store1 > 19.3532773688 ))) 
6 0.1 0.1 peak 1166 volume 41.53337 ppm1 1.365 ppm2 8.113
 
! ############### C13_CNnoesy_manual.1167 folded +
assi (attr store1 < 7.897 and attr store1 > 7.797 )
     ((attr store1 < 1.395 and attr store1 > 1.335 ) and 
      (bondedto (attr store1 < 115.641722631  and attr store1 > 114.841722631 ) or 
       bondedto (attr store1 < 67.899  and attr store1 > 67.099 ) or 
       bondedto (attr store1 < 20.1562773688  and attr store1 > 19.3562773688 ))) 
6 0.1 0.1 peak 1167 volume 13.91848 ppm1 1.365 ppm2 7.847
 
! ############### C13_CNnoesy_manual.1168 folded +
assi (attr store1 < 7.733 and attr store1 > 7.633 )
     ((attr store1 < 1.395 and attr store1 > 1.335 ) and 
      (bondedto (attr store1 < 115.666722631  and attr store1 > 114.866722631 ) or 
       bondedto (attr store1 < 67.924  and attr store1 > 67.124 ) or 
       bondedto (attr store1 < 20.1812773688  and attr store1 > 19.3812773688 ))) 
6 0.1 0.1 peak 1168 volume 9.02610 ppm1 1.365 ppm2 7.683
 
! ############### C13_CNnoesy_manual.1169 folded +
assi (attr store1 < 7.02 and attr store1 > 6.92 )
     ((attr store1 < 1.393 and attr store1 > 1.333 ) and 
      (bondedto (attr store1 < 115.639722631  and attr store1 > 114.839722631 ) or 
       bondedto (attr store1 < 67.897  and attr store1 > 67.097 ) or 
       bondedto (attr store1 < 20.1542773688  and attr store1 > 19.3542773688 ))) 
6 0.1 0.1 peak 1169 volume 24.15549 ppm1 1.363 ppm2 6.970
 
! ############### C13_CNnoesy_manual.1170 folded +
assi (attr store1 < 6.91 and attr store1 > 6.81 )
     ((attr store1 < 1.394 and attr store1 > 1.334 ) and 
      (bondedto (attr store1 < 115.643722631  and attr store1 > 114.843722631 ) or 
       bondedto (attr store1 < 67.901  and attr store1 > 67.101 ) or 
       bondedto (attr store1 < 20.1582773688  and attr store1 > 19.3582773688 ))) 
6 0.1 0.1 peak 1170 volume 34.41581 ppm1 1.364 ppm2 6.860
 
! ############### C13_CNnoesy_manual.1171 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 1.391 and attr store1 > 1.331 ) and 
      (bondedto (attr store1 < 115.627722631  and attr store1 > 114.827722631 ) or 
       bondedto (attr store1 < 67.885  and attr store1 > 67.085 ) or 
       bondedto (attr store1 < 20.1422773688  and attr store1 > 19.3422773688 ))) 
6 0.1 0.1 peak 1171 volume 20.04712 ppm1 1.361 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1172 folded +
assi (attr store1 < 4.14 and attr store1 > 4.04 )
     ((attr store1 < 1.395 and attr store1 > 1.335 ) and 
      (bondedto (attr store1 < 115.644722631  and attr store1 > 114.844722631 ) or 
       bondedto (attr store1 < 67.902  and attr store1 > 67.102 ) or 
       bondedto (attr store1 < 20.1592773688  and attr store1 > 19.3592773688 ))) 
6 0.1 0.1 peak 1172 volume 61.38330 ppm1 1.365 ppm2 4.090
 
! ############### C13_CNnoesy_manual.1173 folded +
assi (attr store1 < 3.884 and attr store1 > 3.784 )
     ((attr store1 < 1.395 and attr store1 > 1.335 ) and 
      (bondedto (attr store1 < 115.632722631  and attr store1 > 114.832722631 ) or 
       bondedto (attr store1 < 67.89  and attr store1 > 67.09 ) or 
       bondedto (attr store1 < 20.1472773688  and attr store1 > 19.3472773688 ))) 
6 0.1 0.1 peak 1173 volume 89.41508 ppm1 1.365 ppm2 3.834
 
! ############### C13_CNnoesy_manual.1174 folded +
assi (attr store1 < 2.8 and attr store1 > 2.7 )
     ((attr store1 < 1.392 and attr store1 > 1.332 ) and 
      (bondedto (attr store1 < 115.685722631  and attr store1 > 114.885722631 ) or 
       bondedto (attr store1 < 67.943  and attr store1 > 67.143 ) or 
       bondedto (attr store1 < 20.2002773688  and attr store1 > 19.4002773688 ))) 
6 0.1 0.1 peak 1174 volume 7.61547 ppm1 1.362 ppm2 2.750
 
! ############### C13_CNnoesy_manual.1175 folded +
assi (attr store1 < 2.175 and attr store1 > 2.075 )
     ((attr store1 < 1.391 and attr store1 > 1.331 ) and 
      (bondedto (attr store1 < 115.622722631  and attr store1 > 114.822722631 ) or 
       bondedto (attr store1 < 67.88  and attr store1 > 67.08 ) or 
       bondedto (attr store1 < 20.1372773688  and attr store1 > 19.3372773688 ))) 
6 0.1 0.1 peak 1175 volume 12.47471 ppm1 1.361 ppm2 2.125
 
! ############### C13_CNnoesy_manual.1176 folded +
assi (attr store1 < 1.415 and attr store1 > 1.315 )
     ((attr store1 < 1.395 and attr store1 > 1.335 ) and 
      (bondedto (attr store1 < 115.643722631  and attr store1 > 114.843722631 ) or 
       bondedto (attr store1 < 67.901  and attr store1 > 67.101 ) or 
       bondedto (attr store1 < 20.1582773688  and attr store1 > 19.3582773688 ))) 
6 0.1 0.1 peak 1176 volume 2090.29688 ppm1 1.365 ppm2 1.365
 
! ############### C13_CNnoesy_manual.1177 folded +
assi (attr store1 < 1.162 and attr store1 > 1.062 )
     ((attr store1 < 1.388 and attr store1 > 1.328 ) and 
      (bondedto (attr store1 < 115.630722631  and attr store1 > 114.830722631 ) or 
       bondedto (attr store1 < 67.888  and attr store1 > 67.088 ) or 
       bondedto (attr store1 < 20.1452773688  and attr store1 > 19.3452773688 ))) 
6 0.1 0.1 peak 1177 volume 18.78167 ppm1 1.358 ppm2 1.112
 
! ############### C13_CNnoesy_manual.1178 folded +
assi (attr store1 < 0.818 and attr store1 > 0.718 )
     ((attr store1 < 1.395 and attr store1 > 1.335 ) and 
      (bondedto (attr store1 < 115.636722631  and attr store1 > 114.836722631 ) or 
       bondedto (attr store1 < 67.894  and attr store1 > 67.094 ) or 
       bondedto (attr store1 < 20.1512773688  and attr store1 > 19.3512773688 ))) 
6 0.1 0.1 peak 1178 volume 73.64352 ppm1 1.365 ppm2 0.768
 
! ############### C13_CNnoesy_manual.1179 folded -
assi (attr store1 < 4.885 and attr store1 > 4.785 )
     ((attr store1 < 1.689 and attr store1 > 1.629 ) and 
      (bondedto (attr store1 < 139.467083947  and attr store1 > 138.667083947 ) or 
       bondedto (attr store1 < 43.9816386844  and attr store1 > 43.1816386844 ))) 
6 0.1 0.1 peak 1179 volume 13.87916 ppm1 1.659 ppm2 4.835
 
! ############### C13_CNnoesy_manual.1180 folded +
assi (attr store1 < 9.043 and attr store1 > 8.943 )
     ((attr store1 < 4.409 and attr store1 > 4.349 ) and 
      (bondedto (attr store1 < 115.543722631  and attr store1 > 114.743722631 ) or 
       bondedto (attr store1 < 67.801  and attr store1 > 67.001 ) or 
       bondedto (attr store1 < 20.0582773688  and attr store1 > 19.2582773688 ))) 
6 0.1 0.1 peak 1180 volume 6.36208 ppm1 4.379 ppm2 8.993
 
! ############### C13_CNnoesy_manual.1181 folded +
assi (attr store1 < 5.038 and attr store1 > 4.938 )
     ((attr store1 < 4.406 and attr store1 > 4.346 ) and 
      (bondedto (attr store1 < 115.571722631  and attr store1 > 114.771722631 ) or 
       bondedto (attr store1 < 67.829  and attr store1 > 67.029 ) or 
       bondedto (attr store1 < 20.0862773688  and attr store1 > 19.2862773688 ))) 
6 0.1 0.1 peak 1181 volume 41.32034 ppm1 4.376 ppm2 4.988
 
! ############### C13_CNnoesy_manual.1182 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 4.409 and attr store1 > 4.349 ) and 
      (bondedto (attr store1 < 115.585722631  and attr store1 > 114.785722631 ) or 
       bondedto (attr store1 < 67.843  and attr store1 > 67.043 ) or 
       bondedto (attr store1 < 20.1002773688  and attr store1 > 19.3002773688 ))) 
6 0.1 0.1 peak 1182 volume 51.41856 ppm1 4.379 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1183 folded +
assi (attr store1 < 4.114 and attr store1 > 4.014 )
     ((attr store1 < 4.406 and attr store1 > 4.346 ) and 
      (bondedto (attr store1 < 115.570722631  and attr store1 > 114.770722631 ) or 
       bondedto (attr store1 < 67.828  and attr store1 > 67.028 ) or 
       bondedto (attr store1 < 20.0852773688  and attr store1 > 19.2852773688 ))) 
6 0.1 0.1 peak 1183 volume 136.80202 ppm1 4.376 ppm2 4.064
 
! ############### C13_CNnoesy_manual.1184 folded +
assi (attr store1 < 5.039 and attr store1 > 4.939 )
     ((attr store1 < 4.094 and attr store1 > 4.034 ) and 
      (bondedto (attr store1 < 115.572722631  and attr store1 > 114.772722631 ) or 
       bondedto (attr store1 < 67.83  and attr store1 > 67.03 ) or 
       bondedto (attr store1 < 20.0872773688  and attr store1 > 19.2872773688 ))) 
6 0.1 0.1 peak 1184 volume 41.61477 ppm1 4.064 ppm2 4.989
 
! ############### C13_CNnoesy_manual.1185 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 4.093 and attr store1 > 4.033 ) and 
      (bondedto (attr store1 < 115.582722631  and attr store1 > 114.782722631 ) or 
       bondedto (attr store1 < 67.84  and attr store1 > 67.04 ) or 
       bondedto (attr store1 < 20.0972773688  and attr store1 > 19.2972773688 ))) 
6 0.1 0.1 peak 1185 volume 47.66912 ppm1 4.063 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1186 folded +
assi (attr store1 < 4.425 and attr store1 > 4.325 )
     ((attr store1 < 4.094 and attr store1 > 4.034 ) and 
      (bondedto (attr store1 < 115.556722631  and attr store1 > 114.756722631 ) or 
       bondedto (attr store1 < 67.814  and attr store1 > 67.014 ) or 
       bondedto (attr store1 < 20.0712773688  and attr store1 > 19.2712773688 ))) 
6 0.1 0.1 peak 1186 volume 133.08542 ppm1 4.064 ppm2 4.375
 
! ############### C13_CNnoesy_manual.1187 folded +
assi (attr store1 < 1.636 and attr store1 > 1.536 )
     ((attr store1 < 1.803 and attr store1 > 1.743 ) and 
      (bondedto (attr store1 < 115.526722631  and attr store1 > 114.726722631 ) or 
       bondedto (attr store1 < 67.784  and attr store1 > 66.984 ) or 
       bondedto (attr store1 < 20.0412773688  and attr store1 > 19.2412773688 ))) 
6 0.1 0.1 peak 1187 volume 11.10436 ppm1 1.773 ppm2 1.586
 
! ############### C13_CNnoesy_manual.1188 folded +
assi (attr store1 < 9.262 and attr store1 > 9.162 )
     ((attr store1 < 0.935 and attr store1 > 0.875 ) and 
      (bondedto (attr store1 < 115.584722631  and attr store1 > 114.784722631 ) or 
       bondedto (attr store1 < 67.842  and attr store1 > 67.042 ) or 
       bondedto (attr store1 < 20.0992773688  and attr store1 > 19.2992773688 ))) 
6 0.1 0.1 peak 1188 volume 14.60803 ppm1 0.905 ppm2 9.212
 
! ############### C13_CNnoesy_manual.1189 folded +
assi (attr store1 < 8.494 and attr store1 > 8.394 )
     ((attr store1 < 0.939 and attr store1 > 0.879 ) and 
      (bondedto (attr store1 < 115.544722631  and attr store1 > 114.744722631 ) or 
       bondedto (attr store1 < 67.802  and attr store1 > 67.002 ) or 
       bondedto (attr store1 < 20.0592773688  and attr store1 > 19.2592773688 ))) 
6 0.1 0.1 peak 1189 volume 7.49682 ppm1 0.909 ppm2 8.444
 
! ############### C13_CNnoesy_manual.1190 folded +
assi (attr store1 < 8.234 and attr store1 > 8.134 )
     ((attr store1 < 0.936 and attr store1 > 0.876 ) and 
      (bondedto (attr store1 < 115.544722631  and attr store1 > 114.744722631 ) or 
       bondedto (attr store1 < 67.802  and attr store1 > 67.002 ) or 
       bondedto (attr store1 < 20.0592773688  and attr store1 > 19.2592773688 ))) 
6 0.1 0.1 peak 1190 volume 12.45879 ppm1 0.906 ppm2 8.184
 
! ############### C13_CNnoesy_manual.1191 folded +
assi (attr store1 < 7.365 and attr store1 > 7.265 )
     ((attr store1 < 0.936 and attr store1 > 0.876 ) and 
      (bondedto (attr store1 < 115.563722631  and attr store1 > 114.763722631 ) or 
       bondedto (attr store1 < 67.821  and attr store1 > 67.021 ) or 
       bondedto (attr store1 < 20.0782773688  and attr store1 > 19.2782773688 ))) 
6 0.1 0.1 peak 1191 volume 14.43938 ppm1 0.906 ppm2 7.315
 
! ############### C13_CNnoesy_manual.1192 folded +
assi (attr store1 < 7.063 and attr store1 > 6.963 )
     ((attr store1 < 0.936 and attr store1 > 0.876 ) and 
      (bondedto (attr store1 < 115.551722631  and attr store1 > 114.751722631 ) or 
       bondedto (attr store1 < 67.809  and attr store1 > 67.009 ) or 
       bondedto (attr store1 < 20.0662773688  and attr store1 > 19.2662773688 ))) 
6 0.1 0.1 peak 1192 volume 5.89711 ppm1 0.906 ppm2 7.013
 
! ############### C13_CNnoesy_manual.1193 folded +
assi (attr store1 < 4.89 and attr store1 > 4.79 )
     ((attr store1 < 0.932 and attr store1 > 0.872 ) and 
      (bondedto (attr store1 < 115.577722631  and attr store1 > 114.777722631 ) or 
       bondedto (attr store1 < 67.835  and attr store1 > 67.035 ) or 
       bondedto (attr store1 < 20.0922773688  and attr store1 > 19.2922773688 ))) 
6 0.1 0.1 peak 1193 volume 7.19549 ppm1 0.902 ppm2 4.840
 
! ############### C13_CNnoesy_manual.1194 folded +
assi (attr store1 < 4.142 and attr store1 > 4.042 )
     ((attr store1 < 0.936 and attr store1 > 0.876 ) and 
      (bondedto (attr store1 < 115.544722631  and attr store1 > 114.744722631 ) or 
       bondedto (attr store1 < 67.802  and attr store1 > 67.002 ) or 
       bondedto (attr store1 < 20.0592773688  and attr store1 > 19.2592773688 ))) 
6 0.1 0.1 peak 1194 volume 73.09327 ppm1 0.906 ppm2 4.092
 
! ############### C13_CNnoesy_manual.1195 folded +
assi (attr store1 < 3.857 and attr store1 > 3.757 )
     ((attr store1 < 0.937 and attr store1 > 0.877 ) and 
      (bondedto (attr store1 < 115.552722631  and attr store1 > 114.752722631 ) or 
       bondedto (attr store1 < 67.81  and attr store1 > 67.01 ) or 
       bondedto (attr store1 < 20.0672773688  and attr store1 > 19.2672773688 ))) 
6 0.1 0.1 peak 1195 volume 15.70266 ppm1 0.907 ppm2 3.807
 
! ############### C13_CNnoesy_manual.1196 folded +
assi (attr store1 < 3.579 and attr store1 > 3.479 )
     ((attr store1 < 0.936 and attr store1 > 0.876 ) and 
      (bondedto (attr store1 < 115.561722631  and attr store1 > 114.761722631 ) or 
       bondedto (attr store1 < 67.819  and attr store1 > 67.019 ) or 
       bondedto (attr store1 < 20.0762773688  and attr store1 > 19.2762773688 ))) 
6 0.1 0.1 peak 1196 volume 24.01874 ppm1 0.906 ppm2 3.529
 
! ############### C13_CNnoesy_manual.1197 folded +
assi (attr store1 < 3.039 and attr store1 > 2.939 )
     ((attr store1 < 0.937 and attr store1 > 0.877 ) and 
      (bondedto (attr store1 < 115.553722631  and attr store1 > 114.753722631 ) or 
       bondedto (attr store1 < 67.811  and attr store1 > 67.011 ) or 
       bondedto (attr store1 < 20.0682773688  and attr store1 > 19.2682773688 ))) 
6 0.1 0.1 peak 1197 volume 7.22540 ppm1 0.907 ppm2 2.989
 
! ############### C13_CNnoesy_manual.1198 folded +
assi (attr store1 < 2.218 and attr store1 > 2.118 )
     ((attr store1 < 0.937 and attr store1 > 0.877 ) and 
      (bondedto (attr store1 < 115.550722631  and attr store1 > 114.750722631 ) or 
       bondedto (attr store1 < 67.808  and attr store1 > 67.008 ) or 
       bondedto (attr store1 < 20.0652773688  and attr store1 > 19.2652773688 ))) 
6 0.1 0.1 peak 1198 volume 22.45439 ppm1 0.907 ppm2 2.168
 
! ############### C13_CNnoesy_manual.1199 folded +
assi (attr store1 < 1.972 and attr store1 > 1.872 )
     ((attr store1 < 0.936 and attr store1 > 0.876 ) and 
      (bondedto (attr store1 < 115.558722631  and attr store1 > 114.758722631 ) or 
       bondedto (attr store1 < 67.816  and attr store1 > 67.016 ) or 
       bondedto (attr store1 < 20.0732773688  and attr store1 > 19.2732773688 ))) 
6 0.1 0.1 peak 1199 volume 76.27686 ppm1 0.906 ppm2 1.922
 
! ############### C13_CNnoesy_manual.1200 folded +
assi (attr store1 < 1.451 and attr store1 > 1.351 )
     ((attr store1 < 0.935 and attr store1 > 0.875 ) and 
      (bondedto (attr store1 < 115.547722631  and attr store1 > 114.747722631 ) or 
       bondedto (attr store1 < 67.805  and attr store1 > 67.005 ) or 
       bondedto (attr store1 < 20.0622773688  and attr store1 > 19.2622773688 ))) 
6 0.1 0.1 peak 1200 volume 29.21629 ppm1 0.905 ppm2 1.401
 
! ############### C13_CNnoesy_manual.1201 folded +
assi (attr store1 < 1.324 and attr store1 > 1.224 )
     ((attr store1 < 0.933 and attr store1 > 0.873 ) and 
      (bondedto (attr store1 < 115.541722631  and attr store1 > 114.741722631 ) or 
       bondedto (attr store1 < 67.799  and attr store1 > 66.999 ) or 
       bondedto (attr store1 < 20.0562773688  and attr store1 > 19.2562773688 ))) 
6 0.1 0.1 peak 1201 volume 16.16541 ppm1 0.903 ppm2 1.274
 
! ############### C13_CNnoesy_manual.1202 folded +
assi (attr store1 < 0.955 and attr store1 > 0.855 )
     ((attr store1 < 0.936 and attr store1 > 0.876 ) and 
      (bondedto (attr store1 < 115.561722631  and attr store1 > 114.761722631 ) or 
       bondedto (attr store1 < 67.819  and attr store1 > 67.019 ) or 
       bondedto (attr store1 < 20.0762773688  and attr store1 > 19.2762773688 ))) 
6 0.1 0.1 peak 1202 volume 2694.15869 ppm1 0.906 ppm2 0.905
 
! ############### C13_CNnoesy_manual.1203 folded +
assi (attr store1 < 0.699 and attr store1 > 0.599 )
     ((attr store1 < 0.935 and attr store1 > 0.875 ) and 
      (bondedto (attr store1 < 115.559722631  and attr store1 > 114.759722631 ) or 
       bondedto (attr store1 < 67.817  and attr store1 > 67.017 ) or 
       bondedto (attr store1 < 20.0742773688  and attr store1 > 19.2742773688 ))) 
6 0.1 0.1 peak 1203 volume 76.26036 ppm1 0.905 ppm2 0.649
 
! ############### C13_CNnoesy_manual.1204 folded +
assi (attr store1 < 0.489 and attr store1 > 0.389 )
     ((attr store1 < 0.934 and attr store1 > 0.874 ) and 
      (bondedto (attr store1 < 115.534722631  and attr store1 > 114.734722631 ) or 
       bondedto (attr store1 < 67.792  and attr store1 > 66.992 ) or 
       bondedto (attr store1 < 20.0492773688  and attr store1 > 19.2492773688 ))) 
6 0.1 0.1 peak 1204 volume 6.36476 ppm1 0.904 ppm2 0.439
 
! ############### C13_CNnoesy_manual.1205 folded -
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 8.048 and attr store1 > 7.988 ) and 
      (bondedto (attr store1 < 139.436083947  and attr store1 > 138.636083947 ) or 
       bondedto (attr store1 < 43.9506386844  and attr store1 > 43.1506386844 ))) 
6 0.1 0.1 peak 1205 volume 7.51301 ppm1 8.018 ppm2 4.838
 
! ############### C13_CNnoesy_manual.1206 folded -
assi (attr store1 < 7.359 and attr store1 > 7.259 )
     ((attr store1 < 7.338 and attr store1 > 7.278 ) and 
      (bondedto (attr store1 < 139.455083947  and attr store1 > 138.655083947 ) or 
       bondedto (attr store1 < 43.9696386844  and attr store1 > 43.1696386844 ))) 
6 0.1 0.1 peak 1206 volume 10.89446 ppm1 7.308 ppm2 7.309
 
! ############### C13_CNnoesy_manual.1207 folded -
assi (attr store1 < 4.436 and attr store1 > 4.336 )
     ((attr store1 < 3.312 and attr store1 > 3.252 ) and 
      (bondedto (attr store1 < 139.444083947  and attr store1 > 138.644083947 ) or 
       bondedto (attr store1 < 43.9586386844  and attr store1 > 43.1586386844 ))) 
6 0.1 0.1 peak 1207 volume 11.57967 ppm1 3.282 ppm2 4.386
 
! ############### C13_CNnoesy_manual.1208 folded -
assi (attr store1 < 1.944 and attr store1 > 1.844 )
     ((attr store1 < 3.312 and attr store1 > 3.252 ) and 
      (bondedto (attr store1 < 139.442083947  and attr store1 > 138.642083947 ) or 
       bondedto (attr store1 < 43.9566386844  and attr store1 > 43.1566386844 ))) 
6 0.1 0.1 peak 1208 volume 49.46127 ppm1 3.282 ppm2 1.894
 
! ############### C13_CNnoesy_manual.1209 folded -
assi (attr store1 < 1.758 and attr store1 > 1.658 )
     ((attr store1 < 3.312 and attr store1 > 3.252 ) and 
      (bondedto (attr store1 < 139.441083947  and attr store1 > 138.641083947 ) or 
       bondedto (attr store1 < 43.9556386844  and attr store1 > 43.1556386844 ))) 
6 0.1 0.1 peak 1209 volume 96.70187 ppm1 3.282 ppm2 1.708
 
! ############### C13_CNnoesy_manual.1210 folded -
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 3.308 and attr store1 > 3.248 ) and 
      (bondedto (attr store1 < 139.431083947  and attr store1 > 138.631083947 ) or 
       bondedto (attr store1 < 43.9456386844  and attr store1 > 43.1456386844 ))) 
6 0.1 0.1 peak 1210 volume 42.07948 ppm1 3.278 ppm2 4.838
 
! ############### C13_CNnoesy_manual.1211 folded -
assi (attr store1 < 3.329 and attr store1 > 3.229 )
     ((attr store1 < 3.311 and attr store1 > 3.251 ) and 
      (bondedto (attr store1 < 139.464083947  and attr store1 > 138.664083947 ) or 
       bondedto (attr store1 < 43.9786386844  and attr store1 > 43.1786386844 ))) 
6 0.1 0.1 peak 1211 volume 4863.30176 ppm1 3.281 ppm2 3.279
 
! ############### C13_CNnoesy_manual.1212 folded -
assi (attr store1 < 2.201 and attr store1 > 2.101 )
     ((attr store1 < 2.177 and attr store1 > 2.117 ) and 
      (bondedto (attr store1 < 139.390083947  and attr store1 > 138.590083947 ) or 
       bondedto (attr store1 < 43.9046386844  and attr store1 > 43.1046386844 ))) 
6 0.1 0.1 peak 1212 volume 25.61325 ppm1 2.147 ppm2 2.151
 
! ############### C13_CNnoesy_manual.1213 folded -
assi (attr store1 < 3.333 and attr store1 > 3.233 )
     ((attr store1 < 1.74 and attr store1 > 1.68 ) and 
      (bondedto (attr store1 < 139.442083947  and attr store1 > 138.642083947 ) or 
       bondedto (attr store1 < 43.9566386844  and attr store1 > 43.1566386844 ))) 
6 0.1 0.1 peak 1213 volume 66.77079 ppm1 1.710 ppm2 3.283
 
! ############### C13_CNnoesy_manual.1214 folded -
assi (attr store1 < 8.053 and attr store1 > 7.953 )
     ((attr store1 < 1.692 and attr store1 > 1.632 ) and 
      (bondedto (attr store1 < 139.395083947  and attr store1 > 138.595083947 ) or 
       bondedto (attr store1 < 43.9096386844  and attr store1 > 43.1096386844 ))) 
6 0.1 0.1 peak 1214 volume 27.85466 ppm1 1.662 ppm2 8.003
 
! ############### C13_CNnoesy_manual.1215 folded -
assi (attr store1 < 1.711 and attr store1 > 1.611 )
     ((attr store1 < 1.692 and attr store1 > 1.632 ) and 
      (bondedto (attr store1 < 139.391083947  and attr store1 > 138.591083947 ) or 
       bondedto (attr store1 < 43.9056386844  and attr store1 > 43.1056386844 ))) 
6 0.1 0.1 peak 1215 volume 3543.05737 ppm1 1.662 ppm2 1.661
 
! ############### C13_CNnoesy_manual.1216 folded -
assi (attr store1 < 1.003 and attr store1 > 0.903 )
     ((attr store1 < 1.691 and attr store1 > 1.631 ) and 
      (bondedto (attr store1 < 139.410083947  and attr store1 > 138.610083947 ) or 
       bondedto (attr store1 < 43.9246386844  and attr store1 > 43.1246386844 ))) 
6 0.1 0.1 peak 1216 volume 44.00104 ppm1 1.661 ppm2 0.953
 
! ############### C13_CNnoesy_manual.1217 folded -
assi (attr store1 < 4.323 and attr store1 > 4.223 )
     ((attr store1 < 1.68 and attr store1 > 1.62 ) and 
      (bondedto (attr store1 < 139.372083947  and attr store1 > 138.572083947 ) or 
       bondedto (attr store1 < 43.8866386844  and attr store1 > 43.0866386844 ))) 
6 0.1 0.1 peak 1217 volume 14.62801 ppm1 1.650 ppm2 4.273
 
! ############### C13_CNnoesy_manual.1218 folded +
assi (attr store1 < 4.722 and attr store1 > 4.622 )
     ((attr store1 < 1.496 and attr store1 > 1.436 ) and 
      (bondedto (attr store1 < 115.470722631  and attr store1 > 114.670722631 ) or 
       bondedto (attr store1 < 67.728  and attr store1 > 66.928 ) or 
       bondedto (attr store1 < 19.9852773688  and attr store1 > 19.1852773688 ))) 
6 0.1 0.1 peak 1218 volume 5.64408 ppm1 1.466 ppm2 4.672
 
! ############### C13_CNnoesy_manual.1219 folded +
assi (attr store1 < 4.522 and attr store1 > 4.422 )
     ((attr store1 < 1.5 and attr store1 > 1.44 ) and 
      (bondedto (attr store1 < 115.419722631  and attr store1 > 114.619722631 ) or 
       bondedto (attr store1 < 67.677  and attr store1 > 66.877 ) or 
       bondedto (attr store1 < 19.9342773688  and attr store1 > 19.1342773688 ))) 
6 0.1 0.1 peak 1219 volume 111.78709 ppm1 1.470 ppm2 4.472
 
! ############### C13_CNnoesy_manual.1220 folded +
assi (attr store1 < 4.181 and attr store1 > 4.081 )
     ((attr store1 < 1.498 and attr store1 > 1.438 ) and 
      (bondedto (attr store1 < 115.413722631  and attr store1 > 114.613722631 ) or 
       bondedto (attr store1 < 67.671  and attr store1 > 66.871 ) or 
       bondedto (attr store1 < 19.9282773688  and attr store1 > 19.1282773688 ))) 
6 0.1 0.1 peak 1220 volume 8.39926 ppm1 1.468 ppm2 4.131
 
! ############### C13_CNnoesy_manual.1221 folded -
assi (attr store1 < 4.887 and attr store1 > 4.787 )
     ((attr store1 < 7.887 and attr store1 > 7.827 ) and 
      (bondedto (attr store1 < 139.294083947  and attr store1 > 138.494083947 ) or 
       bondedto (attr store1 < 43.8086386844  and attr store1 > 43.0086386844 ))) 
6 0.1 0.1 peak 1221 volume 18.38858 ppm1 7.857 ppm2 4.837
 
! ############### C13_CNnoesy_manual.1222 folded -
assi (attr store1 < 4.89 and attr store1 > 4.79 )
     ((attr store1 < 7.86 and attr store1 > 7.8 ) and 
      (bondedto (attr store1 < 139.294083947  and attr store1 > 138.494083947 ) or 
       bondedto (attr store1 < 43.8086386844  and attr store1 > 43.0086386844 ))) 
6 0.1 0.1 peak 1222 volume 18.66944 ppm1 7.830 ppm2 4.840
 
! ############### C13_CNnoesy_manual.1223 folded -
assi (attr store1 < 4.063 and attr store1 > 3.963 )
     ((attr store1 < 2.821 and attr store1 > 2.761 ) and 
      (bondedto (attr store1 < 139.295083947  and attr store1 > 138.495083947 ) or 
       bondedto (attr store1 < 43.8096386844  and attr store1 > 43.0096386844 ))) 
6 0.1 0.1 peak 1223 volume 11.94255 ppm1 2.791 ppm2 4.013
 
! ############### C13_CNnoesy_manual.1224 folded -
assi (attr store1 < 1.886 and attr store1 > 1.786 )
     ((attr store1 < 1.692 and attr store1 > 1.632 ) and 
      (bondedto (attr store1 < 139.316083947  and attr store1 > 138.516083947 ) or 
       bondedto (attr store1 < 43.8306386844  and attr store1 > 43.0306386844 ))) 
6 0.1 0.1 peak 1224 volume 38.83051 ppm1 1.662 ppm2 1.836
 
! ############### C13_CNnoesy_manual.1225 folded -
assi (attr store1 < 1.539 and attr store1 > 1.439 )
     ((attr store1 < 1.69 and attr store1 > 1.63 ) and 
      (bondedto (attr store1 < 139.336083947  and attr store1 > 138.536083947 ) or 
       bondedto (attr store1 < 43.8506386844  and attr store1 > 43.0506386844 ))) 
6 0.1 0.1 peak 1225 volume 47.10315 ppm1 1.660 ppm2 1.489
 
! ############### C13_CNnoesy_manual.1226 folded -
assi (attr store1 < 2.841 and attr store1 > 2.741 )
     ((attr store1 < 1.215 and attr store1 > 1.155 ) and 
      (bondedto (attr store1 < 139.281083947  and attr store1 > 138.481083947 ) or 
       bondedto (attr store1 < 43.7956386844  and attr store1 > 42.9956386844 ))) 
6 0.1 0.1 peak 1226 volume 14.50719 ppm1 1.185 ppm2 2.791
 
! ############### C13_CNnoesy_manual.1227 folded +
assi (attr store1 < 8.425 and attr store1 > 8.325 )
     ((attr store1 < 1.502 and attr store1 > 1.442 ) and 
      (bondedto (attr store1 < 115.367722631  and attr store1 > 114.567722631 ) or 
       bondedto (attr store1 < 67.625  and attr store1 > 66.825 ) or 
       bondedto (attr store1 < 19.8822773688  and attr store1 > 19.0822773688 ))) 
6 0.1 0.1 peak 1227 volume 6.40354 ppm1 1.472 ppm2 8.375
 
! ############### C13_CNnoesy_manual.1228 folded +
assi (attr store1 < 1.523 and attr store1 > 1.423 )
     ((attr store1 < 1.502 and attr store1 > 1.442 ) and 
      (bondedto (attr store1 < 115.406722631  and attr store1 > 114.606722631 ) or 
       bondedto (attr store1 < 67.664  and attr store1 > 66.864 ) or 
       bondedto (attr store1 < 19.9212773688  and attr store1 > 19.1212773688 ))) 
6 0.1 0.1 peak 1228 volume 8723.61230 ppm1 1.472 ppm2 1.473
 
! ############### C13_CNnoesy_manual.1229 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 1.499 and attr store1 > 1.439 ) and 
      (bondedto (attr store1 < 115.395722631  and attr store1 > 114.595722631 ) or 
       bondedto (attr store1 < 67.653  and attr store1 > 66.853 ) or 
       bondedto (attr store1 < 19.9102773688  and attr store1 > 19.1102773688 ))) 
6 0.1 0.1 peak 1229 volume 62.13544 ppm1 1.469 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1230 folded -
assi (attr store1 < 0.923 and attr store1 > 0.823 )
     ((attr store1 < 7.888 and attr store1 > 7.828 ) and 
      (bondedto (attr store1 < 139.261083947  and attr store1 > 138.461083947 ) or 
       bondedto (attr store1 < 43.7756386844  and attr store1 > 42.9756386844 ))) 
6 0.1 0.1 peak 1230 volume 7.95614 ppm1 7.858 ppm2 0.873
 
! ############### C13_CNnoesy_manual.1231 folded -
assi (attr store1 < 0.914 and attr store1 > 0.814 )
     ((attr store1 < 7.866 and attr store1 > 7.806 ) and 
      (bondedto (attr store1 < 139.264083947  and attr store1 > 138.464083947 ) or 
       bondedto (attr store1 < 43.7786386844  and attr store1 > 42.9786386844 ))) 
6 0.1 0.1 peak 1231 volume 8.09653 ppm1 7.836 ppm2 0.864
 
! ############### C13_CNnoesy_manual.1232 folded -
assi (attr store1 < 7.084 and attr store1 > 6.984 )
     ((attr store1 < 2.822 and attr store1 > 2.762 ) and 
      (bondedto (attr store1 < 139.245083947  and attr store1 > 138.445083947 ) or 
       bondedto (attr store1 < 43.7596386844  and attr store1 > 42.9596386844 ))) 
6 0.1 0.1 peak 1232 volume 7.46275 ppm1 2.792 ppm2 7.034
 
! ############### C13_CNnoesy_manual.1233 folded -
assi (attr store1 < 6.773 and attr store1 > 6.673 )
     ((attr store1 < 2.819 and attr store1 > 2.759 ) and 
      (bondedto (attr store1 < 139.269083947  and attr store1 > 138.469083947 ) or 
       bondedto (attr store1 < 43.7836386844  and attr store1 > 42.9836386844 ))) 
6 0.1 0.1 peak 1233 volume 17.60909 ppm1 2.789 ppm2 6.723
 
! ############### C13_CNnoesy_manual.1234 folded -
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 2.82 and attr store1 > 2.76 ) and 
      (bondedto (attr store1 < 139.278083947  and attr store1 > 138.478083947 ) or 
       bondedto (attr store1 < 43.7926386844  and attr store1 > 42.9926386844 ))) 
6 0.1 0.1 peak 1234 volume 45.1589 ppm1 2.790 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1235 folded -
assi (attr store1 < 2.84 and attr store1 > 2.74 )
     ((attr store1 < 2.819 and attr store1 > 2.759 ) and 
      (bondedto (attr store1 < 139.266083947  and attr store1 > 138.466083947 ) or 
       bondedto (attr store1 < 43.7806386844  and attr store1 > 42.9806386844 ))) 
6 0.1 0.1 peak 1235 volume 1158.27478 ppm1 2.789 ppm2 2.790
 
! ############### C13_CNnoesy_manual.1236 folded -
assi (attr store1 < 1.72 and attr store1 > 1.62 )
     ((attr store1 < 2.82 and attr store1 > 2.76 ) and 
      (bondedto (attr store1 < 139.269083947  and attr store1 > 138.469083947 ) or 
       bondedto (attr store1 < 43.7836386844  and attr store1 > 42.9836386844 ))) 
6 0.1 0.1 peak 1236 volume 35.94118 ppm1 2.790 ppm2 1.670
 
! ############### C13_CNnoesy_manual.1237 folded -
assi (attr store1 < 1.464 and attr store1 > 1.364 )
     ((attr store1 < 2.821 and attr store1 > 2.761 ) and 
      (bondedto (attr store1 < 139.268083947  and attr store1 > 138.468083947 ) or 
       bondedto (attr store1 < 43.7826386844  and attr store1 > 42.9826386844 ))) 
6 0.1 0.1 peak 1237 volume 28.85736 ppm1 2.791 ppm2 1.414
 
! ############### C13_CNnoesy_manual.1238 folded -
assi (attr store1 < 1.217 and attr store1 > 1.117 )
     ((attr store1 < 2.821 and attr store1 > 2.761 ) and 
      (bondedto (attr store1 < 139.261083947  and attr store1 > 138.461083947 ) or 
       bondedto (attr store1 < 43.7756386844  and attr store1 > 42.9756386844 ))) 
6 0.1 0.1 peak 1238 volume 62.97831 ppm1 2.791 ppm2 1.167
 
! ############### C13_CNnoesy_manual.1239 folded -
assi (attr store1 < 2.84 and attr store1 > 2.74 )
     ((attr store1 < 1.702 and attr store1 > 1.642 ) and 
      (bondedto (attr store1 < 139.265083947  and attr store1 > 138.465083947 ) or 
       bondedto (attr store1 < 43.7796386844  and attr store1 > 42.9796386844 ))) 
6 0.1 0.1 peak 1239 volume 18.42452 ppm1 1.672 ppm2 2.790
 
! ############### C13_CNnoesy_manual.1240 folded -
assi (attr store1 < 1.082 and attr store1 > 0.982 )
     ((attr store1 < 1.073 and attr store1 > 1.013 ) and 
      (bondedto (attr store1 < 139.207083947  and attr store1 > 138.407083947 ) or 
       bondedto (attr store1 < 43.7216386844  and attr store1 > 42.9216386844 ))) 
6 0.1 0.1 peak 1240 volume 251.71957 ppm1 1.043 ppm2 1.032
 
! ############### C13_CNnoesy_manual.1241 folded -
assi (attr store1 < 4.352 and attr store1 > 4.252 )
     ((attr store1 < 3.379 and attr store1 > 3.319 ) and 
      (bondedto (attr store1 < 139.144083947  and attr store1 > 138.344083947 ) or 
       bondedto (attr store1 < 43.6586386844  and attr store1 > 42.8586386844 ))) 
6 0.1 0.1 peak 1241 volume 23.04045 ppm1 3.349 ppm2 4.302
 
! ############### C13_CNnoesy_manual.1242 folded -
assi (attr store1 < 3.403 and attr store1 > 3.303 )
     ((attr store1 < 3.383 and attr store1 > 3.323 ) and 
      (bondedto (attr store1 < 139.135083947  and attr store1 > 138.335083947 ) or 
       bondedto (attr store1 < 43.6496386844  and attr store1 > 42.8496386844 ))) 
6 0.1 0.1 peak 1242 volume 1882.12769 ppm1 3.353 ppm2 3.353
 
! ############### C13_CNnoesy_manual.1243 folded -
assi (attr store1 < 1.875 and attr store1 > 1.775 )
     ((attr store1 < 3.379 and attr store1 > 3.319 ) and 
      (bondedto (attr store1 < 139.138083947  and attr store1 > 138.338083947 ) or 
       bondedto (attr store1 < 43.6526386844  and attr store1 > 42.8526386844 ))) 
6 0.1 0.1 peak 1243 volume 64.87701 ppm1 3.349 ppm2 1.825
 
! ############### C13_CNnoesy_manual.1244 folded -
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 3.37 and attr store1 > 3.31 ) and 
      (bondedto (attr store1 < 139.157083947  and attr store1 > 138.357083947 ) or 
       bondedto (attr store1 < 43.6716386844  and attr store1 > 42.8716386844 ))) 
6 0.1 0.1 peak 1244 volume 30.57738 ppm1 3.340 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1245 folded -
assi (attr store1 < 3.045 and attr store1 > 2.945 )
     ((attr store1 < 2.038 and attr store1 > 1.978 ) and 
      (bondedto (attr store1 < 138.749083947  and attr store1 > 137.949083947 ) or 
       bondedto (attr store1 < 43.2636386844  and attr store1 > 42.4636386844 ))) 
6 0.1 0.1 peak 1245 volume 6.94387 ppm1 2.008 ppm2 2.995
 
! ############### C13_CNnoesy_manual.1246 folded -
assi (attr store1 < 1.323 and attr store1 > 1.223 )
     ((attr store1 < 2.037 and attr store1 > 1.977 ) and 
      (bondedto (attr store1 < 138.742083947  and attr store1 > 137.942083947 ) or 
       bondedto (attr store1 < 43.2566386844  and attr store1 > 42.4566386844 ))) 
6 0.1 0.1 peak 1246 volume 104.46986 ppm1 2.007 ppm2 1.273
 
! ############### C13_CNnoesy_manual.1247 folded -
assi (attr store1 < 7.685 and attr store1 > 7.585 )
     ((attr store1 < 1.912 and attr store1 > 1.852 ) and 
      (bondedto (attr store1 < 138.755083947  and attr store1 > 137.955083947 ) or 
       bondedto (attr store1 < 43.2696386844  and attr store1 > 42.4696386844 ))) 
6 0.1 0.1 peak 1247 volume 23.95117 ppm1 1.882 ppm2 7.635
 
! ############### C13_CNnoesy_manual.1248 folded -
assi (attr store1 < 4.599 and attr store1 > 4.499 )
     ((attr store1 < 1.912 and attr store1 > 1.852 ) and 
      (bondedto (attr store1 < 138.744083947  and attr store1 > 137.944083947 ) or 
       bondedto (attr store1 < 43.2586386844  and attr store1 > 42.4586386844 ))) 
6 0.1 0.1 peak 1248 volume 23.87968 ppm1 1.882 ppm2 4.549
 
! ############### C13_CNnoesy_manual.1249 folded -
assi (attr store1 < 1.754 and attr store1 > 1.654 )
     ((attr store1 < 1.912 and attr store1 > 1.852 ) and 
      (bondedto (attr store1 < 138.756083947  and attr store1 > 137.956083947 ) or 
       bondedto (attr store1 < 43.2706386844  and attr store1 > 42.4706386844 ))) 
6 0.1 0.1 peak 1249 volume 228.00269 ppm1 1.882 ppm2 1.704
 
! ############### C13_CNnoesy_manual.1250 folded -
assi (attr store1 < 7.683 and attr store1 > 7.583 )
     ((attr store1 < 1.728 and attr store1 > 1.668 ) and 
      (bondedto (attr store1 < 138.775083947  and attr store1 > 137.975083947 ) or 
       bondedto (attr store1 < 43.2896386844  and attr store1 > 42.4896386844 ))) 
6 0.1 0.1 peak 1250 volume 25.60084 ppm1 1.698 ppm2 7.633
 
! ############### C13_CNnoesy_manual.1251 folded -
assi (attr store1 < 4.593 and attr store1 > 4.493 )
     ((attr store1 < 1.729 and attr store1 > 1.669 ) and 
      (bondedto (attr store1 < 138.740083947  and attr store1 > 137.940083947 ) or 
       bondedto (attr store1 < 43.2546386844  and attr store1 > 42.4546386844 ))) 
6 0.1 0.1 peak 1251 volume 31.71129 ppm1 1.699 ppm2 4.543
 
! ############### C13_CNnoesy_manual.1252 folded -
assi (attr store1 < 1.93 and attr store1 > 1.83 )
     ((attr store1 < 1.729 and attr store1 > 1.669 ) and 
      (bondedto (attr store1 < 138.736083947  and attr store1 > 137.936083947 ) or 
       bondedto (attr store1 < 43.2506386844  and attr store1 > 42.4506386844 ))) 
6 0.1 0.1 peak 1252 volume 167.19829 ppm1 1.699 ppm2 1.880
 
! ############### C13_CNnoesy_manual.1253 folded -
assi (attr store1 < 1.322 and attr store1 > 1.222 )
     ((attr store1 < 1.306 and attr store1 > 1.246 ) and 
      (bondedto (attr store1 < 138.761083947  and attr store1 > 137.961083947 ) or 
       bondedto (attr store1 < 43.2756386844  and attr store1 > 42.4756386844 ))) 
6 0.1 0.1 peak 1253 volume 137.92612 ppm1 1.276 ppm2 1.272
 
! ############### C13_CNnoesy_manual.1254 folded -
assi (attr store1 < 8.705 and attr store1 > 8.605 )
     ((attr store1 < 1.301 and attr store1 > 1.241 ) and 
      (bondedto (attr store1 < 138.794083947  and attr store1 > 137.994083947 ) or 
       bondedto (attr store1 < 43.3086386844  and attr store1 > 42.5086386844 ))) 
6 0.1 0.1 peak 1254 volume 9.17352 ppm1 1.271 ppm2 8.655
 
! ############### C13_CNnoesy_manual.1255 folded -
assi (attr store1 < 8.463 and attr store1 > 8.363 )
     ((attr store1 < 1.3 and attr store1 > 1.24 ) and 
      (bondedto (attr store1 < 138.765083947  and attr store1 > 137.965083947 ) or 
       bondedto (attr store1 < 43.2796386844  and attr store1 > 42.4796386844 ))) 
6 0.1 0.1 peak 1255 volume 17.76391 ppm1 1.270 ppm2 8.413
 
! ############### C13_CNnoesy_manual.1256 folded -
assi (attr store1 < 4.128 and attr store1 > 4.028 )
     ((attr store1 < 1.302 and attr store1 > 1.242 ) and 
      (bondedto (attr store1 < 138.766083947  and attr store1 > 137.966083947 ) or 
       bondedto (attr store1 < 43.2806386844  and attr store1 > 42.4806386844 ))) 
6 0.1 0.1 peak 1256 volume 22.11522 ppm1 1.272 ppm2 4.078
 
! ############### C13_CNnoesy_manual.1257 folded -
assi (attr store1 < 3.526 and attr store1 > 3.426 )
     ((attr store1 < 1.304 and attr store1 > 1.244 ) and 
      (bondedto (attr store1 < 138.767083947  and attr store1 > 137.967083947 ) or 
       bondedto (attr store1 < 43.2816386844  and attr store1 > 42.4816386844 ))) 
6 0.1 0.1 peak 1257 volume 8.29839 ppm1 1.274 ppm2 3.476
 
! ############### C13_CNnoesy_manual.1258 folded -
assi (attr store1 < 3.045 and attr store1 > 2.945 )
     ((attr store1 < 1.296 and attr store1 > 1.236 ) and 
      (bondedto (attr store1 < 138.721083947  and attr store1 > 137.921083947 ) or 
       bondedto (attr store1 < 43.2356386844  and attr store1 > 42.4356386844 ))) 
6 0.1 0.1 peak 1258 volume 11.43202 ppm1 1.266 ppm2 2.995
 
! ############### C13_CNnoesy_manual.1259 folded -
assi (attr store1 < 2.476 and attr store1 > 2.376 )
     ((attr store1 < 1.3 and attr store1 > 1.24 ) and 
      (bondedto (attr store1 < 138.779083947  and attr store1 > 137.979083947 ) or 
       bondedto (attr store1 < 43.2936386844  and attr store1 > 42.4936386844 ))) 
6 0.1 0.1 peak 1259 volume 12.41468 ppm1 1.270 ppm2 2.426
 
! ############### C13_CNnoesy_manual.1260 folded -
assi (attr store1 < 2.057 and attr store1 > 1.957 )
     ((attr store1 < 1.301 and attr store1 > 1.241 ) and 
      (bondedto (attr store1 < 138.748083947  and attr store1 > 137.948083947 ) or 
       bondedto (attr store1 < 43.2626386844  and attr store1 > 42.4626386844 ))) 
6 0.1 0.1 peak 1260 volume 102.99393 ppm1 1.271 ppm2 2.007
 
! ############### C13_CNnoesy_manual.1261 folded -
assi (attr store1 < 1.855 and attr store1 > 1.755 )
     ((attr store1 < 1.301 and attr store1 > 1.241 ) and 
      (bondedto (attr store1 < 138.748083947  and attr store1 > 137.948083947 ) or 
       bondedto (attr store1 < 43.2626386844  and attr store1 > 42.4626386844 ))) 
6 0.1 0.1 peak 1261 volume 23.98557 ppm1 1.271 ppm2 1.805
 
! ############### C13_CNnoesy_manual.1262 folded -
assi (attr store1 < 0.833 and attr store1 > 0.733 )
     ((attr store1 < 1.301 and attr store1 > 1.241 ) and 
      (bondedto (attr store1 < 138.759083947  and attr store1 > 137.959083947 ) or 
       bondedto (attr store1 < 43.2736386844  and attr store1 > 42.4736386844 ))) 
6 0.1 0.1 peak 1262 volume 55.33488 ppm1 1.271 ppm2 0.783
 
! ############### C13_CNnoesy_manual.1263 folded -
assi (attr store1 < 8.707 and attr store1 > 8.607 )
     ((attr store1 < 2.038 and attr store1 > 1.978 ) and 
      (bondedto (attr store1 < 138.635083947  and attr store1 > 137.835083947 ) or 
       bondedto (attr store1 < 43.1496386844  and attr store1 > 42.3496386844 ))) 
6 0.1 0.1 peak 1263 volume 28.35498 ppm1 2.008 ppm2 8.657
 
! ############### C13_CNnoesy_manual.1264 folded -
assi (attr store1 < 3.525 and attr store1 > 3.425 )
     ((attr store1 < 2.042 and attr store1 > 1.982 ) and 
      (bondedto (attr store1 < 138.696083947  and attr store1 > 137.896083947 ) or 
       bondedto (attr store1 < 43.2106386844  and attr store1 > 42.4106386844 ))) 
6 0.1 0.1 peak 1264 volume 14.18198 ppm1 2.012 ppm2 3.475
 
! ############### C13_CNnoesy_manual.1265 folded -
assi (attr store1 < 0.843 and attr store1 > 0.743 )
     ((attr store1 < 2.045 and attr store1 > 1.985 ) and 
      (bondedto (attr store1 < 138.692083947  and attr store1 > 137.892083947 ) or 
       bondedto (attr store1 < 43.2066386844  and attr store1 > 42.4066386844 ))) 
6 0.1 0.1 peak 1265 volume 79.21827 ppm1 2.015 ppm2 0.793
 
! ############### C13_CNnoesy_manual.1266 folded -
assi (attr store1 < 8.493 and attr store1 > 8.393 )
     ((attr store1 < 2.034 and attr store1 > 1.974 ) and 
      (bondedto (attr store1 < 138.652083947  and attr store1 > 137.852083947 ) or 
       bondedto (attr store1 < 43.1666386844  and attr store1 > 42.3666386844 ))) 
6 0.1 0.1 peak 1266 volume 46.84703 ppm1 2.004 ppm2 8.443
 
! ############### C13_CNnoesy_manual.1267 folded -
assi (attr store1 < 4.885 and attr store1 > 4.785 )
     ((attr store1 < 1.905 and attr store1 > 1.845 ) and 
      (bondedto (attr store1 < 138.704083947  and attr store1 > 137.904083947 ) or 
       bondedto (attr store1 < 43.2186386844  and attr store1 > 42.4186386844 ))) 
6 0.1 0.1 peak 1267 volume 8.5155 ppm1 1.875 ppm2 4.835
 
! ############### C13_CNnoesy_manual.1268 folded -
assi (attr store1 < 1.08 and attr store1 > 0.98 )
     ((attr store1 < 1.902 and attr store1 > 1.842 ) and 
      (bondedto (attr store1 < 138.633083947  and attr store1 > 137.833083947 ) or 
       bondedto (attr store1 < 43.1476386844  and attr store1 > 42.3476386844 ))) 
6 0.1 0.1 peak 1268 volume 89.37364 ppm1 1.872 ppm2 1.030
 
! ############### C13_CNnoesy_manual.1269 folded -
assi (attr store1 < 1.084 and attr store1 > 0.984 )
     ((attr store1 < 1.729 and attr store1 > 1.669 ) and 
      (bondedto (attr store1 < 138.659083947  and attr store1 > 137.859083947 ) or 
       bondedto (attr store1 < 43.1736386844  and attr store1 > 42.3736386844 ))) 
6 0.1 0.1 peak 1269 volume 85.10616 ppm1 1.699 ppm2 1.034
 
! ############### C13_CNnoesy_manual.1270 folded -
assi (attr store1 < 0.933 and attr store1 > 0.833 )
     ((attr store1 < 1.515 and attr store1 > 1.455 ) and 
      (bondedto (attr store1 < 138.669083947  and attr store1 > 137.869083947 ) or 
       bondedto (attr store1 < 43.1836386844  and attr store1 > 42.3836386844 ))) 
6 0.1 0.1 peak 1270 volume 39.14211 ppm1 1.485 ppm2 0.883
 
! ############### C13_CNnoesy_manual.1271 folded +
assi (attr store1 < 8.739 and attr store1 > 8.639 )
     ((attr store1 < 3.503 and attr store1 > 3.443 ) and 
      (bondedto (attr store1 < 114.679722631  and attr store1 > 113.879722631 ) or 
       bondedto (attr store1 < 66.937  and attr store1 > 66.137 ) or 
       bondedto (attr store1 < 19.1942773688  and attr store1 > 18.3942773688 ))) 
6 0.1 0.1 peak 1271 volume 28.95572 ppm1 3.473 ppm2 8.689
 
! ############### C13_CNnoesy_manual.1272 folded +
assi (attr store1 < 8.464 and attr store1 > 8.364 )
     ((attr store1 < 3.502 and attr store1 > 3.442 ) and 
      (bondedto (attr store1 < 114.665722631  and attr store1 > 113.865722631 ) or 
       bondedto (attr store1 < 66.923  and attr store1 > 66.123 ) or 
       bondedto (attr store1 < 19.1802773688  and attr store1 > 18.3802773688 ))) 
6 0.1 0.1 peak 1272 volume 11.32563 ppm1 3.472 ppm2 8.414
 
! ############### C13_CNnoesy_manual.1273 folded +
assi (attr store1 < 8.063 and attr store1 > 7.963 )
     ((attr store1 < 3.503 and attr store1 > 3.443 ) and 
      (bondedto (attr store1 < 114.681722631  and attr store1 > 113.881722631 ) or 
       bondedto (attr store1 < 66.939  and attr store1 > 66.139 ) or 
       bondedto (attr store1 < 19.1962773688  and attr store1 > 18.3962773688 ))) 
6 0.1 0.1 peak 1273 volume 10.71173 ppm1 3.473 ppm2 8.013
 
! ############### C13_CNnoesy_manual.1274 folded +
assi (attr store1 < 4.491 and attr store1 > 4.391 )
     ((attr store1 < 3.502 and attr store1 > 3.442 ) and 
      (bondedto (attr store1 < 114.670722631  and attr store1 > 113.870722631 ) or 
       bondedto (attr store1 < 66.928  and attr store1 > 66.128 ) or 
       bondedto (attr store1 < 19.1852773688  and attr store1 > 18.3852773688 ))) 
6 0.1 0.1 peak 1274 volume 7.26140 ppm1 3.472 ppm2 4.441
 
! ############### C13_CNnoesy_manual.1275 folded +
assi (attr store1 < 4.26 and attr store1 > 4.16 )
     ((attr store1 < 3.502 and attr store1 > 3.442 ) and 
      (bondedto (attr store1 < 114.666722631  and attr store1 > 113.866722631 ) or 
       bondedto (attr store1 < 66.924  and attr store1 > 66.124 ) or 
       bondedto (attr store1 < 19.1812773688  and attr store1 > 18.3812773688 ))) 
6 0.1 0.1 peak 1275 volume 7.76573 ppm1 3.472 ppm2 4.210
 
! ############### C13_CNnoesy_manual.1276 folded +
assi (attr store1 < 2.063 and attr store1 > 1.963 )
     ((attr store1 < 3.503 and attr store1 > 3.443 ) and 
      (bondedto (attr store1 < 114.674722631  and attr store1 > 113.874722631 ) or 
       bondedto (attr store1 < 66.932  and attr store1 > 66.132 ) or 
       bondedto (attr store1 < 19.1892773688  and attr store1 > 18.3892773688 ))) 
6 0.1 0.1 peak 1276 volume 63.42658 ppm1 3.473 ppm2 2.013
 
! ############### C13_CNnoesy_manual.1277 folded +
assi (attr store1 < 1.86 and attr store1 > 1.76 )
     ((attr store1 < 3.501 and attr store1 > 3.441 ) and 
      (bondedto (attr store1 < 114.669722631  and attr store1 > 113.869722631 ) or 
       bondedto (attr store1 < 66.927  and attr store1 > 66.127 ) or 
       bondedto (attr store1 < 19.1842773688  and attr store1 > 18.3842773688 ))) 
6 0.1 0.1 peak 1277 volume 11.67243 ppm1 3.471 ppm2 1.810
 
! ############### C13_CNnoesy_manual.1278 folded +
assi (attr store1 < 1.45 and attr store1 > 1.35 )
     ((attr store1 < 3.502 and attr store1 > 3.442 ) and 
      (bondedto (attr store1 < 114.670722631  and attr store1 > 113.870722631 ) or 
       bondedto (attr store1 < 66.928  and attr store1 > 66.128 ) or 
       bondedto (attr store1 < 19.1852773688  and attr store1 > 18.3852773688 ))) 
6 0.1 0.1 peak 1278 volume 39.80687 ppm1 3.472 ppm2 1.400
 
! ############### C13_CNnoesy_manual.1279 folded +
assi (attr store1 < 0.136 and attr store1 > 0.036 )
     ((attr store1 < 1.597 and attr store1 > 1.537 ) and 
      (bondedto (attr store1 < 114.699722631  and attr store1 > 113.899722631 ) or 
       bondedto (attr store1 < 66.957  and attr store1 > 66.157 ) or 
       bondedto (attr store1 < 19.2142773688  and attr store1 > 18.4142773688 ))) 
6 0.1 0.1 peak 1279 volume 12.52531 ppm1 1.567 ppm2 0.086
 
! ############### C13_CNnoesy_manual.1280 folded -
assi (attr store1 < 8.239 and attr store1 > 8.139 )
     ((attr store1 < 2.071 and attr store1 > 2.011 ) and 
      (bondedto (attr store1 < 138.603083947  and attr store1 > 137.803083947 ) or 
       bondedto (attr store1 < 43.1176386844  and attr store1 > 42.3176386844 ))) 
6 0.1 0.1 peak 1280 volume 18.99181 ppm1 2.041 ppm2 8.189
 
! ############### C13_CNnoesy_manual.1281 folded -
assi (attr store1 < 3.855 and attr store1 > 3.755 )
     ((attr store1 < 2.068 and attr store1 > 2.008 ) and 
      (bondedto (attr store1 < 138.594083947  and attr store1 > 137.794083947 ) or 
       bondedto (attr store1 < 43.1086386844  and attr store1 > 42.3086386844 ))) 
6 0.1 0.1 peak 1281 volume 17.05953 ppm1 2.038 ppm2 3.805
 
! ############### C13_CNnoesy_manual.1282 folded -
assi (attr store1 < 1.546 and attr store1 > 1.446 )
     ((attr store1 < 2.07 and attr store1 > 2.01 ) and 
      (bondedto (attr store1 < 138.600083947  and attr store1 > 137.800083947 ) or 
       bondedto (attr store1 < 43.1146386844  and attr store1 > 42.3146386844 ))) 
6 0.1 0.1 peak 1282 volume 93.54454 ppm1 2.040 ppm2 1.496
 
! ############### C13_CNnoesy_manual.1283 folded -
assi (attr store1 < 4.249 and attr store1 > 4.149 )
     ((attr store1 < 2.042 and attr store1 > 1.982 ) and 
      (bondedto (attr store1 < 138.565083947  and attr store1 > 137.765083947 ) or 
       bondedto (attr store1 < 43.0796386844  and attr store1 > 42.2796386844 ))) 
6 0.1 0.1 peak 1283 volume 35.82825 ppm1 2.012 ppm2 4.199
 
! ############### C13_CNnoesy_manual.1284 folded -
assi (attr store1 < 4.102 and attr store1 > 4.002 )
     ((attr store1 < 2.036 and attr store1 > 1.976 ) and 
      (bondedto (attr store1 < 138.618083947  and attr store1 > 137.818083947 ) or 
       bondedto (attr store1 < 43.1326386844  and attr store1 > 42.3326386844 ))) 
6 0.1 0.1 peak 1284 volume 37.31067 ppm1 2.006 ppm2 4.052
 
! ############### C13_CNnoesy_manual.1285 folded -
assi (attr store1 < 2.056 and attr store1 > 1.956 )
     ((attr store1 < 2.037 and attr store1 > 1.977 ) and 
      (bondedto (attr store1 < 138.617083947  and attr store1 > 137.817083947 ) or 
       bondedto (attr store1 < 43.1316386844  and attr store1 > 42.3316386844 ))) 
6 0.1 0.1 peak 1285 volume 345.89676 ppm1 2.007 ppm2 2.006
 
! ############### C13_CNnoesy_manual.1286 folded -
assi (attr store1 < 1.911 and attr store1 > 1.811 )
     ((attr store1 < 2.032 and attr store1 > 1.972 ) and 
      (bondedto (attr store1 < 138.552083947  and attr store1 > 137.752083947 ) or 
       bondedto (attr store1 < 43.0666386844  and attr store1 > 42.2666386844 ))) 
6 0.1 0.1 peak 1286 volume 224.7805 ppm1 2.002 ppm2 1.861
 
! ############### C13_CNnoesy_manual.1287 folded -
assi (attr store1 < 1.919 and attr store1 > 1.819 )
     ((attr store1 < 1.897 and attr store1 > 1.837 ) and 
      (bondedto (attr store1 < 138.624083947  and attr store1 > 137.824083947 ) or 
       bondedto (attr store1 < 43.1386386844  and attr store1 > 42.3386386844 ))) 
6 0.1 0.1 peak 1287 volume 475.00101 ppm1 1.867 ppm2 1.869
 
! ############### C13_CNnoesy_manual.1288 folded -
assi (attr store1 < 8.69 and attr store1 > 8.59 )
     ((attr store1 < 1.891 and attr store1 > 1.831 ) and 
      (bondedto (attr store1 < 138.554083947  and attr store1 > 137.754083947 ) or 
       bondedto (attr store1 < 43.0686386844  and attr store1 > 42.2686386844 ))) 
6 0.1 0.1 peak 1288 volume 16.45791 ppm1 1.861 ppm2 8.640
 
! ############### C13_CNnoesy_manual.1289 folded -
assi (attr store1 < 4.257 and attr store1 > 4.157 )
     ((attr store1 < 1.89 and attr store1 > 1.83 ) and 
      (bondedto (attr store1 < 138.540083947  and attr store1 > 137.740083947 ) or 
       bondedto (attr store1 < 43.0546386844  and attr store1 > 42.2546386844 ))) 
6 0.1 0.1 peak 1289 volume 31.79191 ppm1 1.860 ppm2 4.207
 
! ############### C13_CNnoesy_manual.1290 folded +
assi (attr store1 < 3.524 and attr store1 > 3.424 )
     ((attr store1 < 3.503 and attr store1 > 3.443 ) and 
      (bondedto (attr store1 < 114.659722631  and attr store1 > 113.859722631 ) or 
       bondedto (attr store1 < 66.917  and attr store1 > 66.117 ) or 
       bondedto (attr store1 < 19.1742773688  and attr store1 > 18.3742773688 ))) 
6 0.1 0.1 peak 1290 volume 395.59158 ppm1 3.473 ppm2 3.474
 
! ############### C13_CNnoesy_manual.1291 folded +
assi (attr store1 < 1.081 and attr store1 > 0.981 )
     ((attr store1 < 3.503 and attr store1 > 3.443 ) and 
      (bondedto (attr store1 < 114.660722631  and attr store1 > 113.860722631 ) or 
       bondedto (attr store1 < 66.918  and attr store1 > 66.118 ) or 
       bondedto (attr store1 < 19.1752773688  and attr store1 > 18.3752773688 ))) 
6 0.1 0.1 peak 1291 volume 51.37854 ppm1 3.473 ppm2 1.031
 
! ############### C13_CNnoesy_manual.1292 folded +
assi (attr store1 < 0.929 and attr store1 > 0.829 )
     ((attr store1 < 3.505 and attr store1 > 3.445 ) and 
      (bondedto (attr store1 < 114.652722631  and attr store1 > 113.852722631 ) or 
       bondedto (attr store1 < 66.91  and attr store1 > 66.11 ) or 
       bondedto (attr store1 < 19.1672773688  and attr store1 > 18.3672773688 ))) 
6 0.1 0.1 peak 1292 volume 69.18172 ppm1 3.475 ppm2 0.879
 
! ############### C13_CNnoesy_manual.1293 folded +
assi (attr store1 < 8.072 and attr store1 > 7.972 )
     ((attr store1 < 1.597 and attr store1 > 1.537 ) and 
      (bondedto (attr store1 < 114.625722631  and attr store1 > 113.825722631 ) or 
       bondedto (attr store1 < 66.883  and attr store1 > 66.083 ) or 
       bondedto (attr store1 < 19.1402773688  and attr store1 > 18.3402773688 ))) 
6 0.1 0.1 peak 1293 volume 130.40518 ppm1 1.567 ppm2 8.022
 
! ############### C13_CNnoesy_manual.1294 folded +
assi (attr store1 < 0.801 and attr store1 > 0.701 )
     ((attr store1 < 1.596 and attr store1 > 1.536 ) and 
      (bondedto (attr store1 < 114.627722631  and attr store1 > 113.827722631 ) or 
       bondedto (attr store1 < 66.885  and attr store1 > 66.085 ) or 
       bondedto (attr store1 < 19.1422773688  and attr store1 > 18.3422773688 ))) 
6 0.1 0.1 peak 1294 volume 213.28435 ppm1 1.566 ppm2 0.751
 
! ############### C13_CNnoesy_manual.1295 folded +
assi (attr store1 < 8.737 and attr store1 > 8.637 )
     ((attr store1 < 1.556 and attr store1 > 1.496 ) and 
      (bondedto (attr store1 < 114.611722631  and attr store1 > 113.811722631 ) or 
       bondedto (attr store1 < 66.869  and attr store1 > 66.069 ) or 
       bondedto (attr store1 < 19.1262773688  and attr store1 > 18.3262773688 ))) 
6 0.1 0.1 peak 1295 volume 36.72739 ppm1 1.526 ppm2 8.687
 
! ############### C13_CNnoesy_manual.1296 folded +
assi (attr store1 < 7.789 and attr store1 > 7.689 )
     ((attr store1 < 1.554 and attr store1 > 1.494 ) and 
      (bondedto (attr store1 < 114.623722631  and attr store1 > 113.823722631 ) or 
       bondedto (attr store1 < 66.881  and attr store1 > 66.081 ) or 
       bondedto (attr store1 < 19.1382773688  and attr store1 > 18.3382773688 ))) 
6 0.1 0.1 peak 1296 volume 94.38865 ppm1 1.524 ppm2 7.739
 
! ############### C13_CNnoesy_manual.1297 folded +
assi (attr store1 < 4.109 and attr store1 > 4.009 )
     ((attr store1 < 1.557 and attr store1 > 1.497 ) and 
      (bondedto (attr store1 < 114.609722631  and attr store1 > 113.809722631 ) or 
       bondedto (attr store1 < 66.867  and attr store1 > 66.067 ) or 
       bondedto (attr store1 < 19.1242773688  and attr store1 > 18.3242773688 ))) 
6 0.1 0.1 peak 1297 volume 145.02373 ppm1 1.527 ppm2 4.059
 
! ############### C13_CNnoesy_manual.1298 folded +
assi (attr store1 < 3.517 and attr store1 > 3.417 )
     ((attr store1 < 1.559 and attr store1 > 1.499 ) and 
      (bondedto (attr store1 < 114.583722631  and attr store1 > 113.783722631 ) or 
       bondedto (attr store1 < 66.841  and attr store1 > 66.041 ) or 
       bondedto (attr store1 < 19.0982773688  and attr store1 > 18.2982773688 ))) 
6 0.1 0.1 peak 1298 volume 6.54423 ppm1 1.529 ppm2 3.467
 
! ############### C13_CNnoesy_manual.1299 folded +
assi (attr store1 < 2.643 and attr store1 > 2.543 )
     ((attr store1 < 1.554 and attr store1 > 1.494 ) and 
      (bondedto (attr store1 < 114.615722631  and attr store1 > 113.815722631 ) or 
       bondedto (attr store1 < 66.873  and attr store1 > 66.073 ) or 
       bondedto (attr store1 < 19.1302773688  and attr store1 > 18.3302773688 ))) 
6 0.1 0.1 peak 1299 volume 34.24100 ppm1 1.524 ppm2 2.593
 
! ############### C13_CNnoesy_manual.1300 folded +
assi (attr store1 < 2.433 and attr store1 > 2.333 )
     ((attr store1 < 1.556 and attr store1 > 1.496 ) and 
      (bondedto (attr store1 < 114.615722631  and attr store1 > 113.815722631 ) or 
       bondedto (attr store1 < 66.873  and attr store1 > 66.073 ) or 
       bondedto (attr store1 < 19.1302773688  and attr store1 > 18.3302773688 ))) 
6 0.1 0.1 peak 1300 volume 28.84854 ppm1 1.526 ppm2 2.383
 
! ############### C13_CNnoesy_manual.1301 folded +
assi (attr store1 < 1.582 and attr store1 > 1.482 )
     ((attr store1 < 1.558 and attr store1 > 1.498 ) and 
      (bondedto (attr store1 < 114.604722631  and attr store1 > 113.804722631 ) or 
       bondedto (attr store1 < 66.862  and attr store1 > 66.062 ) or 
       bondedto (attr store1 < 19.1192773688  and attr store1 > 18.3192773688 ))) 
6 0.1 0.1 peak 1301 volume 2653.55664 ppm1 1.528 ppm2 1.532
 
! ############### C13_CNnoesy_manual.1302 folded +
assi (attr store1 < 0.818 and attr store1 > 0.718 )
     ((attr store1 < 1.564 and attr store1 > 1.504 ) and 
      (bondedto (attr store1 < 114.617722631  and attr store1 > 113.817722631 ) or 
       bondedto (attr store1 < 66.875  and attr store1 > 66.075 ) or 
       bondedto (attr store1 < 19.1322773688  and attr store1 > 18.3322773688 ))) 
6 0.1 0.1 peak 1302 volume 140.70163 ppm1 1.534 ppm2 0.768
 
! ############### C13_CNnoesy_manual.1303 folded -
assi (attr store1 < 8.519 and attr store1 > 8.419 )
     ((attr store1 < 1.89 and attr store1 > 1.83 ) and 
      (bondedto (attr store1 < 138.528083947  and attr store1 > 137.728083947 ) or 
       bondedto (attr store1 < 43.0426386844  and attr store1 > 42.2426386844 ))) 
6 0.1 0.1 peak 1303 volume 28.19529 ppm1 1.860 ppm2 8.469
 
! ############### C13_CNnoesy_manual.1304 folded -
assi (attr store1 < 4.087 and attr store1 > 3.987 )
     ((attr store1 < 1.889 and attr store1 > 1.829 ) and 
      (bondedto (attr store1 < 138.520083947  and attr store1 > 137.720083947 ) or 
       bondedto (attr store1 < 43.0346386844  and attr store1 > 42.2346386844 ))) 
6 0.1 0.1 peak 1304 volume 24.03581 ppm1 1.859 ppm2 4.037
 
! ############### C13_CNnoesy_manual.1305 folded -
assi (attr store1 < 4.886 and attr store1 > 4.786 )
     ((attr store1 < 1.736 and attr store1 > 1.676 ) and 
      (bondedto (attr store1 < 138.489083947  and attr store1 > 137.689083947 ) or 
       bondedto (attr store1 < 43.0036386844  and attr store1 > 42.2036386844 ))) 
6 0.1 0.1 peak 1305 volume 19.6155 ppm1 1.706 ppm2 4.836
 
! ############### C13_CNnoesy_manual.1306 folded -
assi (attr store1 < 1.741 and attr store1 > 1.641 )
     ((attr store1 < 1.743 and attr store1 > 1.683 ) and 
      (bondedto (attr store1 < 138.478083947  and attr store1 > 137.678083947 ) or 
       bondedto (attr store1 < 42.9926386844  and attr store1 > 42.1926386844 ))) 
6 0.1 0.1 peak 1306 volume 1081.47095 ppm1 1.713 ppm2 1.691
 
! ############### C13_CNnoesy_manual.1307 folded +
assi (attr store1 < 7.861 and attr store1 > 7.761 )
     ((attr store1 < 3.759 and attr store1 > 3.699 ) and 
      (bondedto (attr store1 < 114.534722631  and attr store1 > 113.734722631 ) or 
       bondedto (attr store1 < 66.792  and attr store1 > 65.992 ) or 
       bondedto (attr store1 < 19.0492773688  and attr store1 > 18.2492773688 ))) 
6 0.1 0.1 peak 1307 volume 11.09785 ppm1 3.729 ppm2 7.811
 
! ############### C13_CNnoesy_manual.1308 folded +
assi (attr store1 < 7.361 and attr store1 > 7.261 )
     ((attr store1 < 3.76 and attr store1 > 3.7 ) and 
      (bondedto (attr store1 < 114.521722631  and attr store1 > 113.721722631 ) or 
       bondedto (attr store1 < 66.779  and attr store1 > 65.979 ) or 
       bondedto (attr store1 < 19.0362773688  and attr store1 > 18.2362773688 ))) 
6 0.1 0.1 peak 1308 volume 12.83422 ppm1 3.730 ppm2 7.311
 
! ############### C13_CNnoesy_manual.1309 folded +
assi (attr store1 < 7.174 and attr store1 > 7.074 )
     ((attr store1 < 3.761 and attr store1 > 3.701 ) and 
      (bondedto (attr store1 < 114.514722631  and attr store1 > 113.714722631 ) or 
       bondedto (attr store1 < 66.772  and attr store1 > 65.972 ) or 
       bondedto (attr store1 < 19.0292773688  and attr store1 > 18.2292773688 ))) 
6 0.1 0.1 peak 1309 volume 37.51464 ppm1 3.731 ppm2 7.124
 
! ############### C13_CNnoesy_manual.1310 folded +
assi (attr store1 < 3.78 and attr store1 > 3.68 )
     ((attr store1 < 3.76 and attr store1 > 3.7 ) and 
      (bondedto (attr store1 < 114.514722631  and attr store1 > 113.714722631 ) or 
       bondedto (attr store1 < 66.772  and attr store1 > 65.972 ) or 
       bondedto (attr store1 < 19.0292773688  and attr store1 > 18.2292773688 ))) 
6 0.1 0.1 peak 1310 volume 834.70471 ppm1 3.730 ppm2 3.730
 
! ############### C13_CNnoesy_manual.1311 folded +
assi (attr store1 < 2.32 and attr store1 > 2.22 )
     ((attr store1 < 3.76 and attr store1 > 3.7 ) and 
      (bondedto (attr store1 < 114.513722631  and attr store1 > 113.713722631 ) or 
       bondedto (attr store1 < 66.771  and attr store1 > 65.971 ) or 
       bondedto (attr store1 < 19.0282773688  and attr store1 > 18.2282773688 ))) 
6 0.1 0.1 peak 1311 volume 41.75832 ppm1 3.730 ppm2 2.270
 
! ############### C13_CNnoesy_manual.1312 folded +
assi (attr store1 < 2.029 and attr store1 > 1.929 )
     ((attr store1 < 3.76 and attr store1 > 3.7 ) and 
      (bondedto (attr store1 < 114.516722631  and attr store1 > 113.716722631 ) or 
       bondedto (attr store1 < 66.774  and attr store1 > 65.974 ) or 
       bondedto (attr store1 < 19.0312773688  and attr store1 > 18.2312773688 ))) 
6 0.1 0.1 peak 1312 volume 39.70766 ppm1 3.730 ppm2 1.979
 
! ############### C13_CNnoesy_manual.1313 folded +
assi (attr store1 < 1.808 and attr store1 > 1.708 )
     ((attr store1 < 3.76 and attr store1 > 3.7 ) and 
      (bondedto (attr store1 < 114.508722631  and attr store1 > 113.708722631 ) or 
       bondedto (attr store1 < 66.766  and attr store1 > 65.966 ) or 
       bondedto (attr store1 < 19.0232773688  and attr store1 > 18.2232773688 ))) 
6 0.1 0.1 peak 1313 volume 19.65587 ppm1 3.730 ppm2 1.758
 
! ############### C13_CNnoesy_manual.1314 folded +
assi (attr store1 < 1.292 and attr store1 > 1.192 )
     ((attr store1 < 3.76 and attr store1 > 3.7 ) and 
      (bondedto (attr store1 < 114.515722631  and attr store1 > 113.715722631 ) or 
       bondedto (attr store1 < 66.773  and attr store1 > 65.973 ) or 
       bondedto (attr store1 < 19.0302773688  and attr store1 > 18.2302773688 ))) 
6 0.1 0.1 peak 1314 volume 103.42814 ppm1 3.730 ppm2 1.242
 
! ############### C13_CNnoesy_manual.1315 folded +
assi (attr store1 < 1.092 and attr store1 > 0.992 )
     ((attr store1 < 3.76 and attr store1 > 3.7 ) and 
      (bondedto (attr store1 < 114.512722631  and attr store1 > 113.712722631 ) or 
       bondedto (attr store1 < 66.77  and attr store1 > 65.97 ) or 
       bondedto (attr store1 < 19.0272773688  and attr store1 > 18.2272773688 ))) 
6 0.1 0.1 peak 1315 volume 81.02277 ppm1 3.730 ppm2 1.042
 
! ############### C13_CNnoesy_manual.1316 folded +
assi (attr store1 < 6.785 and attr store1 > 6.685 )
     ((attr store1 < 1.608 and attr store1 > 1.548 ) and 
      (bondedto (attr store1 < 114.476722631  and attr store1 > 113.676722631 ) or 
       bondedto (attr store1 < 66.734  and attr store1 > 65.934 ) or 
       bondedto (attr store1 < 18.9912773688  and attr store1 > 18.1912773688 ))) 
6 0.1 0.1 peak 1316 volume 9.06213 ppm1 1.578 ppm2 6.735
 
! ############### C13_CNnoesy_manual.1317 folded +
assi (attr store1 < 8.732 and attr store1 > 8.632 )
     ((attr store1 < 1.593 and attr store1 > 1.533 ) and 
      (bondedto (attr store1 < 114.534722631  and attr store1 > 113.734722631 ) or 
       bondedto (attr store1 < 66.792  and attr store1 > 65.992 ) or 
       bondedto (attr store1 < 19.0492773688  and attr store1 > 18.2492773688 ))) 
6 0.1 0.1 peak 1317 volume 22.15481 ppm1 1.563 ppm2 8.682
 
! ############### C13_CNnoesy_manual.1318 folded +
assi (attr store1 < 4.11 and attr store1 > 4.01 )
     ((attr store1 < 1.602 and attr store1 > 1.542 ) and 
      (bondedto (attr store1 < 114.516722631  and attr store1 > 113.716722631 ) or 
       bondedto (attr store1 < 66.774  and attr store1 > 65.974 ) or 
       bondedto (attr store1 < 19.0312773688  and attr store1 > 18.2312773688 ))) 
6 0.1 0.1 peak 1318 volume 165.12729 ppm1 1.572 ppm2 4.060
 
! ############### C13_CNnoesy_manual.1319 folded +
assi (attr store1 < 1.619 and attr store1 > 1.519 )
     ((attr store1 < 1.603 and attr store1 > 1.543 ) and 
      (bondedto (attr store1 < 114.497722631  and attr store1 > 113.697722631 ) or 
       bondedto (attr store1 < 66.755  and attr store1 > 65.955 ) or 
       bondedto (attr store1 < 19.0122773688  and attr store1 > 18.2122773688 ))) 
6 0.1 0.1 peak 1319 volume 4889.18115 ppm1 1.573 ppm2 1.569
 
! ############### C13_CNnoesy_manual.1320 folded -
assi (attr store1 < 4.36 and attr store1 > 4.26 )
     ((attr store1 < 3.159 and attr store1 > 3.099 ) and 
      (bondedto (attr store1 < 138.349083947  and attr store1 > 137.549083947 ) or 
       bondedto (attr store1 < 42.8636386844  and attr store1 > 42.0636386844 ))) 
6 0.1 0.1 peak 1320 volume 14.16586 ppm1 3.129 ppm2 4.310
 
! ############### C13_CNnoesy_manual.1321 folded -
assi (attr store1 < 1.083 and attr store1 > 0.983 )
     ((attr store1 < 3.16 and attr store1 > 3.1 ) and 
      (bondedto (attr store1 < 138.361083947  and attr store1 > 137.561083947 ) or 
       bondedto (attr store1 < 42.8756386844  and attr store1 > 42.0756386844 ))) 
6 0.1 0.1 peak 1321 volume 35.01947 ppm1 3.130 ppm2 1.033
 
! ############### C13_CNnoesy_manual.1322 folded -
assi (attr store1 < 0.965 and attr store1 > 0.865 )
     ((attr store1 < 3.159 and attr store1 > 3.099 ) and 
      (bondedto (attr store1 < 138.355083947  and attr store1 > 137.555083947 ) or 
       bondedto (attr store1 < 42.8696386844  and attr store1 > 42.0696386844 ))) 
6 0.1 0.1 peak 1322 volume 20.1206 ppm1 3.129 ppm2 0.915
 
! ############### C13_CNnoesy_manual.1323 folded -
assi (attr store1 < 4.486 and attr store1 > 4.386 )
     ((attr store1 < 1.745 and attr store1 > 1.685 ) and 
      (bondedto (attr store1 < 138.423083947  and attr store1 > 137.623083947 ) or 
       bondedto (attr store1 < 42.9376386844  and attr store1 > 42.1376386844 ))) 
6 0.1 0.1 peak 1323 volume 30.36719 ppm1 1.715 ppm2 4.436
 
! ############### C13_CNnoesy_manual.1324 folded -
assi (attr store1 < 4.481 and attr store1 > 4.381 )
     ((attr store1 < 1.702 and attr store1 > 1.642 ) and 
      (bondedto (attr store1 < 138.409083947  and attr store1 > 137.609083947 ) or 
       bondedto (attr store1 < 42.9236386844  and attr store1 > 42.1236386844 ))) 
6 0.1 0.1 peak 1324 volume 29.7384 ppm1 1.672 ppm2 4.431
 
! ############### C13_CNnoesy_manual.1325 folded +
assi (attr store1 < 8.242 and attr store1 > 8.142 )
     ((attr store1 < 1.629 and attr store1 > 1.569 ) and 
      (bondedto (attr store1 < 114.433722631  and attr store1 > 113.633722631 ) or 
       bondedto (attr store1 < 66.691  and attr store1 > 65.891 ) or 
       bondedto (attr store1 < 18.9482773688  and attr store1 > 18.1482773688 ))) 
6 0.1 0.1 peak 1325 volume 123.98446 ppm1 1.599 ppm2 8.192
 
! ############### C13_CNnoesy_manual.1326 folded +
assi (attr store1 < 7.093 and attr store1 > 6.993 )
     ((attr store1 < 1.621 and attr store1 > 1.561 ) and 
      (bondedto (attr store1 < 114.427722631  and attr store1 > 113.627722631 ) or 
       bondedto (attr store1 < 66.685  and attr store1 > 65.885 ) or 
       bondedto (attr store1 < 18.9422773688  and attr store1 > 18.1422773688 ))) 
6 0.1 0.1 peak 1326 volume 13.88067 ppm1 1.591 ppm2 7.043
 
! ############### C13_CNnoesy_manual.1327 folded +
assi (attr store1 < 4.205 and attr store1 > 4.105 )
     ((attr store1 < 1.627 and attr store1 > 1.567 ) and 
      (bondedto (attr store1 < 114.429722631  and attr store1 > 113.629722631 ) or 
       bondedto (attr store1 < 66.687  and attr store1 > 65.887 ) or 
       bondedto (attr store1 < 18.9442773688  and attr store1 > 18.1442773688 ))) 
6 0.1 0.1 peak 1327 volume 196.65211 ppm1 1.597 ppm2 4.155
 
! ############### C13_CNnoesy_manual.1328 folded +
assi (attr store1 < 8.586 and attr store1 > 8.486 )
     ((attr store1 < 1.599 and attr store1 > 1.539 ) and 
      (bondedto (attr store1 < 114.404722631  and attr store1 > 113.604722631 ) or 
       bondedto (attr store1 < 66.662  and attr store1 > 65.862 ) or 
       bondedto (attr store1 < 18.9192773688  and attr store1 > 18.1192773688 ))) 
6 0.1 0.1 peak 1328 volume 91.75537 ppm1 1.569 ppm2 8.536
 
! ############### C13_CNnoesy_manual.1329 folded +
assi (attr store1 < 7.851 and attr store1 > 7.751 )
     ((attr store1 < 1.597 and attr store1 > 1.537 ) and 
      (bondedto (attr store1 < 114.431722631  and attr store1 > 113.631722631 ) or 
       bondedto (attr store1 < 66.689  and attr store1 > 65.889 ) or 
       bondedto (attr store1 < 18.9462773688  and attr store1 > 18.1462773688 ))) 
6 0.1 0.1 peak 1329 volume 49.32995 ppm1 1.567 ppm2 7.801
 
! ############### C13_CNnoesy_manual.1330 folded +
assi (attr store1 < 7.326 and attr store1 > 7.226 )
     ((attr store1 < 1.602 and attr store1 > 1.542 ) and 
      (bondedto (attr store1 < 114.437722631  and attr store1 > 113.637722631 ) or 
       bondedto (attr store1 < 66.695  and attr store1 > 65.895 ) or 
       bondedto (attr store1 < 18.9522773688  and attr store1 > 18.1522773688 ))) 
6 0.1 0.1 peak 1330 volume 23.75319 ppm1 1.572 ppm2 7.276
 
! ############### C13_CNnoesy_manual.1331 folded +
assi (attr store1 < 3.87 and attr store1 > 3.77 )
     ((attr store1 < 1.6 and attr store1 > 1.54 ) and 
      (bondedto (attr store1 < 114.389722631  and attr store1 > 113.589722631 ) or 
       bondedto (attr store1 < 66.647  and attr store1 > 65.847 ) or 
       bondedto (attr store1 < 18.9042773688  and attr store1 > 18.1042773688 ))) 
6 0.1 0.1 peak 1331 volume 106.70864 ppm1 1.570 ppm2 3.820
 
! ############### C13_CNnoesy_manual.1332 folded +
assi (attr store1 < 2.019 and attr store1 > 1.919 )
     ((attr store1 < 1.597 and attr store1 > 1.537 ) and 
      (bondedto (attr store1 < 114.436722631  and attr store1 > 113.636722631 ) or 
       bondedto (attr store1 < 66.694  and attr store1 > 65.894 ) or 
       bondedto (attr store1 < 18.9512773688  and attr store1 > 18.1512773688 ))) 
6 0.1 0.1 peak 1332 volume 36.00995 ppm1 1.567 ppm2 1.969
 
! ############### C13_CNnoesy_manual.1333 folded +
assi (attr store1 < 0.953 and attr store1 > 0.853 )
     ((attr store1 < 1.596 and attr store1 > 1.536 ) and 
      (bondedto (attr store1 < 114.467722631  and attr store1 > 113.667722631 ) or 
       bondedto (attr store1 < 66.725  and attr store1 > 65.925 ) or 
       bondedto (attr store1 < 18.9822773688  and attr store1 > 18.1822773688 ))) 
6 0.1 0.1 peak 1333 volume 89.68736 ppm1 1.566 ppm2 0.903
 
! ############### C13_CNnoesy_manual.1334 folded +
assi (attr store1 < 1.785 and attr store1 > 1.685 )
     ((attr store1 < 1.591 and attr store1 > 1.531 ) and 
      (bondedto (attr store1 < 114.457722631  and attr store1 > 113.657722631 ) or 
       bondedto (attr store1 < 66.715  and attr store1 > 65.915 ) or 
       bondedto (attr store1 < 18.9722773688  and attr store1 > 18.1722773688 ))) 
6 0.1 0.1 peak 1334 volume 75.65025 ppm1 1.561 ppm2 1.735
 
! ############### C13_CNnoesy_manual.1335 folded +
assi (attr store1 < 8.695 and attr store1 > 8.595 )
     ((attr store1 < 1.139 and attr store1 > 1.079 ) and 
      (bondedto (attr store1 < 114.417722631  and attr store1 > 113.617722631 ) or 
       bondedto (attr store1 < 66.675  and attr store1 > 65.875 ) or 
       bondedto (attr store1 < 18.9322773688  and attr store1 > 18.1322773688 ))) 
6 0.1 0.1 peak 1335 volume 8.82598 ppm1 1.109 ppm2 8.645
 
! ############### C13_CNnoesy_manual.1336 folded +
assi (attr store1 < 8.516 and attr store1 > 8.416 )
     ((attr store1 < 1.136 and attr store1 > 1.076 ) and 
      (bondedto (attr store1 < 114.425722631  and attr store1 > 113.625722631 ) or 
       bondedto (attr store1 < 66.683  and attr store1 > 65.883 ) or 
       bondedto (attr store1 < 18.9402773688  and attr store1 > 18.1402773688 ))) 
6 0.1 0.1 peak 1336 volume 8.33214 ppm1 1.106 ppm2 8.466
 
! ############### C13_CNnoesy_manual.1337 folded +
assi (attr store1 < 8.064 and attr store1 > 7.964 )
     ((attr store1 < 1.14 and attr store1 > 1.08 ) and 
      (bondedto (attr store1 < 114.422722631  and attr store1 > 113.622722631 ) or 
       bondedto (attr store1 < 66.68  and attr store1 > 65.88 ) or 
       bondedto (attr store1 < 18.9372773688  and attr store1 > 18.1372773688 ))) 
6 0.1 0.1 peak 1337 volume 45.31050 ppm1 1.110 ppm2 8.014
 
! ############### C13_CNnoesy_manual.1338 folded +
assi (attr store1 < 7.032 and attr store1 > 6.932 )
     ((attr store1 < 1.14 and attr store1 > 1.08 ) and 
      (bondedto (attr store1 < 114.423722631  and attr store1 > 113.623722631 ) or 
       bondedto (attr store1 < 66.681  and attr store1 > 65.881 ) or 
       bondedto (attr store1 < 18.9382773688  and attr store1 > 18.1382773688 ))) 
6 0.1 0.1 peak 1338 volume 15.14567 ppm1 1.110 ppm2 6.982
 
! ############### C13_CNnoesy_manual.1339 folded +
assi (attr store1 < 4.098 and attr store1 > 3.998 )
     ((attr store1 < 1.14 and attr store1 > 1.08 ) and 
      (bondedto (attr store1 < 114.421722631  and attr store1 > 113.621722631 ) or 
       bondedto (attr store1 < 66.679  and attr store1 > 65.879 ) or 
       bondedto (attr store1 < 18.9362773688  and attr store1 > 18.1362773688 ))) 
6 0.1 0.1 peak 1339 volume 90.96690 ppm1 1.110 ppm2 4.048
 
! ############### C13_CNnoesy_manual.1340 folded +
assi (attr store1 < 2.656 and attr store1 > 2.556 )
     ((attr store1 < 1.14 and attr store1 > 1.08 ) and 
      (bondedto (attr store1 < 114.417722631  and attr store1 > 113.617722631 ) or 
       bondedto (attr store1 < 66.675  and attr store1 > 65.875 ) or 
       bondedto (attr store1 < 18.9322773688  and attr store1 > 18.1322773688 ))) 
6 0.1 0.1 peak 1340 volume 38.66027 ppm1 1.110 ppm2 2.606
 
! ############### C13_CNnoesy_manual.1341 folded +
assi (attr store1 < 2.278 and attr store1 > 2.178 )
     ((attr store1 < 1.139 and attr store1 > 1.079 ) and 
      (bondedto (attr store1 < 114.433722631  and attr store1 > 113.633722631 ) or 
       bondedto (attr store1 < 66.691  and attr store1 > 65.891 ) or 
       bondedto (attr store1 < 18.9482773688  and attr store1 > 18.1482773688 ))) 
6 0.1 0.1 peak 1341 volume 130.42451 ppm1 1.109 ppm2 2.228
 
! ############### C13_CNnoesy_manual.1342 folded +
assi (attr store1 < 2.015 and attr store1 > 1.915 )
     ((attr store1 < 1.139 and attr store1 > 1.079 ) and 
      (bondedto (attr store1 < 114.412722631  and attr store1 > 113.612722631 ) or 
       bondedto (attr store1 < 66.67  and attr store1 > 65.87 ) or 
       bondedto (attr store1 < 18.9272773688  and attr store1 > 18.1272773688 ))) 
6 0.1 0.1 peak 1342 volume 54.48531 ppm1 1.109 ppm2 1.965
 
! ############### C13_CNnoesy_manual.1343 folded +
assi (attr store1 < 1.537 and attr store1 > 1.437 )
     ((attr store1 < 1.14 and attr store1 > 1.08 ) and 
      (bondedto (attr store1 < 114.429722631  and attr store1 > 113.629722631 ) or 
       bondedto (attr store1 < 66.687  and attr store1 > 65.887 ) or 
       bondedto (attr store1 < 18.9442773688  and attr store1 > 18.1442773688 ))) 
6 0.1 0.1 peak 1343 volume 74.93580 ppm1 1.110 ppm2 1.487
 
! ############### C13_CNnoesy_manual.1344 folded +
assi (attr store1 < 1.328 and attr store1 > 1.228 )
     ((attr store1 < 1.137 and attr store1 > 1.077 ) and 
      (bondedto (attr store1 < 114.408722631  and attr store1 > 113.608722631 ) or 
       bondedto (attr store1 < 66.666  and attr store1 > 65.866 ) or 
       bondedto (attr store1 < 18.9232773688  and attr store1 > 18.1232773688 ))) 
6 0.1 0.1 peak 1344 volume 62.37633 ppm1 1.107 ppm2 1.278
 
! ############### C13_CNnoesy_manual.1345 folded +
assi (attr store1 < 1.159 and attr store1 > 1.059 )
     ((attr store1 < 1.14 and attr store1 > 1.08 ) and 
      (bondedto (attr store1 < 114.420722631  and attr store1 > 113.620722631 ) or 
       bondedto (attr store1 < 66.678  and attr store1 > 65.878 ) or 
       bondedto (attr store1 < 18.9352773688  and attr store1 > 18.1352773688 ))) 
6 0.1 0.1 peak 1345 volume 4381.11230 ppm1 1.110 ppm2 1.109
 
! ############### C13_CNnoesy_manual.1346 folded +
assi (attr store1 < 0.8 and attr store1 > 0.7 )
     ((attr store1 < 1.14 and attr store1 > 1.08 ) and 
      (bondedto (attr store1 < 114.424722631  and attr store1 > 113.624722631 ) or 
       bondedto (attr store1 < 66.682  and attr store1 > 65.882 ) or 
       bondedto (attr store1 < 18.9392773688  and attr store1 > 18.1392773688 ))) 
6 0.1 0.1 peak 1346 volume 121.21295 ppm1 1.110 ppm2 0.750
 
! ############### C13_CNnoesy_manual.1347 folded +
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 1.129 and attr store1 > 1.069 ) and 
      (bondedto (attr store1 < 114.417722631  and attr store1 > 113.617722631 ) or 
       bondedto (attr store1 < 66.675  and attr store1 > 65.875 ) or 
       bondedto (attr store1 < 18.9322773688  and attr store1 > 18.1322773688 ))) 
6 0.1 0.1 peak 1347 volume 13.83659 ppm1 1.099 ppm2 4.838
 
! ############### C13_CNnoesy_manual.1348 folded -
assi (attr store1 < 7.06 and attr store1 > 6.96 )
     ((attr store1 < 3.158 and attr store1 > 3.098 ) and 
      (bondedto (attr store1 < 138.339083947  and attr store1 > 137.539083947 ) or 
       bondedto (attr store1 < 42.8536386844  and attr store1 > 42.0536386844 ))) 
6 0.1 0.1 peak 1348 volume 5.74455 ppm1 3.128 ppm2 7.010
 
! ############### C13_CNnoesy_manual.1349 folded -
assi (attr store1 < 4.153 and attr store1 > 4.053 )
     ((attr store1 < 3.156 and attr store1 > 3.096 ) and 
      (bondedto (attr store1 < 138.307083947  and attr store1 > 137.507083947 ) or 
       bondedto (attr store1 < 42.8216386844  and attr store1 > 42.0216386844 ))) 
6 0.1 0.1 peak 1349 volume 13.02049 ppm1 3.126 ppm2 4.103
 
! ############### C13_CNnoesy_manual.1350 folded -
assi (attr store1 < 2.03 and attr store1 > 1.93 )
     ((attr store1 < 3.157 and attr store1 > 3.097 ) and 
      (bondedto (attr store1 < 138.302083947  and attr store1 > 137.502083947 ) or 
       bondedto (attr store1 < 42.8166386844  and attr store1 > 42.0166386844 ))) 
6 0.1 0.1 peak 1350 volume 32.66838 ppm1 3.127 ppm2 1.980
 
! ############### C13_CNnoesy_manual.1351 folded -
assi (attr store1 < 1.856 and attr store1 > 1.756 )
     ((attr store1 < 3.157 and attr store1 > 3.097 ) and 
      (bondedto (attr store1 < 138.310083947  and attr store1 > 137.510083947 ) or 
       bondedto (attr store1 < 42.8246386844  and attr store1 > 42.0246386844 ))) 
6 0.1 0.1 peak 1351 volume 217.7509 ppm1 3.127 ppm2 1.806
 
! ############### C13_CNnoesy_manual.1352 folded -
assi (attr store1 < 4.887 and attr store1 > 4.787 )
     ((attr store1 < 3.154 and attr store1 > 3.094 ) and 
      (bondedto (attr store1 < 138.283083947  and attr store1 > 137.483083947 ) or 
       bondedto (attr store1 < 42.7976386844  and attr store1 > 41.9976386844 ))) 
6 0.1 0.1 peak 1352 volume 80.10229 ppm1 3.124 ppm2 4.837
 
! ############### C13_CNnoesy_manual.1353 folded +
assi (attr store1 < 1.614 and attr store1 > 1.514 )
     ((attr store1 < 3.847 and attr store1 > 3.787 ) and 
      (bondedto (attr store1 < 114.303722631  and attr store1 > 113.503722631 ) or 
       bondedto (attr store1 < 66.561  and attr store1 > 65.761 ) or 
       bondedto (attr store1 < 18.8182773688  and attr store1 > 18.0182773688 ))) 
6 0.1 0.1 peak 1353 volume 9.87559 ppm1 3.817 ppm2 1.564
 
! ############### C13_CNnoesy_manual.1354 folded +
assi (attr store1 < 8.484 and attr store1 > 8.384 )
     ((attr store1 < 3.562 and attr store1 > 3.502 ) and 
      (bondedto (attr store1 < 114.328722631  and attr store1 > 113.528722631 ) or 
       bondedto (attr store1 < 66.586  and attr store1 > 65.786 ) or 
       bondedto (attr store1 < 18.8432773688  and attr store1 > 18.0432773688 ))) 
6 0.1 0.1 peak 1354 volume 27.82474 ppm1 3.532 ppm2 8.434
 
! ############### C13_CNnoesy_manual.1355 folded +
assi (attr store1 < 8.221 and attr store1 > 8.121 )
     ((attr store1 < 3.56 and attr store1 > 3.5 ) and 
      (bondedto (attr store1 < 114.300722631  and attr store1 > 113.500722631 ) or 
       bondedto (attr store1 < 66.558  and attr store1 > 65.758 ) or 
       bondedto (attr store1 < 18.8152773688  and attr store1 > 18.0152773688 ))) 
6 0.1 0.1 peak 1355 volume 13.03355 ppm1 3.530 ppm2 8.171
 
! ############### C13_CNnoesy_manual.1356 folded +
assi (attr store1 < 8.05 and attr store1 > 7.95 )
     ((attr store1 < 3.563 and attr store1 > 3.503 ) and 
      (bondedto (attr store1 < 114.297722631  and attr store1 > 113.497722631 ) or 
       bondedto (attr store1 < 66.555  and attr store1 > 65.755 ) or 
       bondedto (attr store1 < 18.8122773688  and attr store1 > 18.0122773688 ))) 
6 0.1 0.1 peak 1356 volume 11.14463 ppm1 3.533 ppm2 8.000
 
! ############### C13_CNnoesy_manual.1357 folded +
assi (attr store1 < 3.581 and attr store1 > 3.481 )
     ((attr store1 < 3.561 and attr store1 > 3.501 ) and 
      (bondedto (attr store1 < 114.305722631  and attr store1 > 113.505722631 ) or 
       bondedto (attr store1 < 66.563  and attr store1 > 65.763 ) or 
       bondedto (attr store1 < 18.8202773688  and attr store1 > 18.0202773688 ))) 
6 0.1 0.1 peak 1357 volume 438.75122 ppm1 3.531 ppm2 3.531
 
! ############### C13_CNnoesy_manual.1358 folded +
assi (attr store1 < 2.219 and attr store1 > 2.119 )
     ((attr store1 < 3.561 and attr store1 > 3.501 ) and 
      (bondedto (attr store1 < 114.309722631  and attr store1 > 113.509722631 ) or 
       bondedto (attr store1 < 66.567  and attr store1 > 65.767 ) or 
       bondedto (attr store1 < 18.8242773688  and attr store1 > 18.0242773688 ))) 
6 0.1 0.1 peak 1358 volume 39.20041 ppm1 3.531 ppm2 2.169
 
! ############### C13_CNnoesy_manual.1359 folded +
assi (attr store1 < 1.955 and attr store1 > 1.855 )
     ((attr store1 < 3.561 and attr store1 > 3.501 ) and 
      (bondedto (attr store1 < 114.301722631  and attr store1 > 113.501722631 ) or 
       bondedto (attr store1 < 66.559  and attr store1 > 65.759 ) or 
       bondedto (attr store1 < 18.8162773688  and attr store1 > 18.0162773688 ))) 
6 0.1 0.1 peak 1359 volume 50.06430 ppm1 3.531 ppm2 1.905
 
! ############### C13_CNnoesy_manual.1360 folded +
assi (attr store1 < 0.934 and attr store1 > 0.834 )
     ((attr store1 < 3.561 and attr store1 > 3.501 ) and 
      (bondedto (attr store1 < 114.309722631  and attr store1 > 113.509722631 ) or 
       bondedto (attr store1 < 66.567  and attr store1 > 65.767 ) or 
       bondedto (attr store1 < 18.8242773688  and attr store1 > 18.0242773688 ))) 
6 0.1 0.1 peak 1360 volume 146.34003 ppm1 3.531 ppm2 0.884
 
! ############### C13_CNnoesy_manual.1361 folded +
assi (attr store1 < 3.263 and attr store1 > 3.163 )
     ((attr store1 < 1.601 and attr store1 > 1.541 ) and 
      (bondedto (attr store1 < 114.350722631  and attr store1 > 113.550722631 ) or 
       bondedto (attr store1 < 66.608  and attr store1 > 65.808 ) or 
       bondedto (attr store1 < 18.8652773688  and attr store1 > 18.0652773688 ))) 
6 0.1 0.1 peak 1361 volume 31.76526 ppm1 1.571 ppm2 3.213
 
! ############### C13_CNnoesy_manual.1362 folded -
assi (attr store1 < 3.141 and attr store1 > 3.041 )
     ((attr store1 < 3.12 and attr store1 > 3.06 ) and 
      (bondedto (attr store1 < 138.200083947  and attr store1 > 137.400083947 ) or 
       bondedto (attr store1 < 42.7146386844  and attr store1 > 41.9146386844 ))) 
6 0.1 0.1 peak 1362 volume 17670.91992 ppm1 3.090 ppm2 3.091
 
! ############### C13_CNnoesy_manual.1363 folded +
assi (attr store1 < 8.521 and attr store1 > 8.421 )
     ((attr store1 < 1.078 and attr store1 > 1.018 ) and 
      (bondedto (attr store1 < 114.242722631  and attr store1 > 113.442722631 ) or 
       bondedto (attr store1 < 66.5  and attr store1 > 65.7 ) or 
       bondedto (attr store1 < 18.7572773688  and attr store1 > 17.9572773688 ))) 
6 0.1 0.1 peak 1363 volume 23.49656 ppm1 1.048 ppm2 8.471
 
! ############### C13_CNnoesy_manual.1364 folded +
assi (attr store1 < 8.227 and attr store1 > 8.127 )
     ((attr store1 < 1.077 and attr store1 > 1.017 ) and 
      (bondedto (attr store1 < 114.248722631  and attr store1 > 113.448722631 ) or 
       bondedto (attr store1 < 66.506  and attr store1 > 65.706 ) or 
       bondedto (attr store1 < 18.7632773688  and attr store1 > 17.9632773688 ))) 
6 0.1 0.1 peak 1364 volume 31.18802 ppm1 1.047 ppm2 8.177
 
! ############### C13_CNnoesy_manual.1365 folded +
assi (attr store1 < 7.065 and attr store1 > 6.965 )
     ((attr store1 < 1.078 and attr store1 > 1.018 ) and 
      (bondedto (attr store1 < 114.247722631  and attr store1 > 113.447722631 ) or 
       bondedto (attr store1 < 66.505  and attr store1 > 65.705 ) or 
       bondedto (attr store1 < 18.7622773688  and attr store1 > 17.9622773688 ))) 
6 0.1 0.1 peak 1365 volume 11.66502 ppm1 1.048 ppm2 7.015
 
! ############### C13_CNnoesy_manual.1366 folded +
assi (attr store1 < 4.145 and attr store1 > 4.045 )
     ((attr store1 < 1.078 and attr store1 > 1.018 ) and 
      (bondedto (attr store1 < 114.258722631  and attr store1 > 113.458722631 ) or 
       bondedto (attr store1 < 66.516  and attr store1 > 65.716 ) or 
       bondedto (attr store1 < 18.7732773688  and attr store1 > 17.9732773688 ))) 
6 0.1 0.1 peak 1366 volume 79.99877 ppm1 1.048 ppm2 4.095
 
! ############### C13_CNnoesy_manual.1367 folded +
assi (attr store1 < 3.868 and attr store1 > 3.768 )
     ((attr store1 < 1.077 and attr store1 > 1.017 ) and 
      (bondedto (attr store1 < 114.249722631  and attr store1 > 113.449722631 ) or 
       bondedto (attr store1 < 66.507  and attr store1 > 65.707 ) or 
       bondedto (attr store1 < 18.7642773688  and attr store1 > 17.9642773688 ))) 
6 0.1 0.1 peak 1367 volume 75.66050 ppm1 1.047 ppm2 3.818
 
! ############### C13_CNnoesy_manual.1368 folded +
assi (attr store1 < 2.225 and attr store1 > 2.125 )
     ((attr store1 < 1.077 and attr store1 > 1.017 ) and 
      (bondedto (attr store1 < 114.249722631  and attr store1 > 113.449722631 ) or 
       bondedto (attr store1 < 66.507  and attr store1 > 65.707 ) or 
       bondedto (attr store1 < 18.7642773688  and attr store1 > 17.9642773688 ))) 
6 0.1 0.1 peak 1368 volume 131.21504 ppm1 1.047 ppm2 2.175
 
! ############### C13_CNnoesy_manual.1369 folded +
assi (attr store1 < 1.254 and attr store1 > 1.154 )
     ((attr store1 < 1.077 and attr store1 > 1.017 ) and 
      (bondedto (attr store1 < 114.222722631  and attr store1 > 113.422722631 ) or 
       bondedto (attr store1 < 66.48  and attr store1 > 65.68 ) or 
       bondedto (attr store1 < 18.7372773688  and attr store1 > 17.9372773688 ))) 
6 0.1 0.1 peak 1369 volume 134.64938 ppm1 1.047 ppm2 1.204
 
! ############### C13_CNnoesy_manual.1370 folded +
assi (attr store1 < 0.721 and attr store1 > 0.621 )
     ((attr store1 < 1.074 and attr store1 > 1.014 ) and 
      (bondedto (attr store1 < 114.226722631  and attr store1 > 113.426722631 ) or 
       bondedto (attr store1 < 66.484  and attr store1 > 65.684 ) or 
       bondedto (attr store1 < 18.7412773688  and attr store1 > 17.9412773688 ))) 
6 0.1 0.1 peak 1370 volume 32.05294 ppm1 1.044 ppm2 0.671
 
! ############### C13_CNnoesy_manual.1371 folded -
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 3.09 and attr store1 > 3.03 ) and 
      (bondedto (attr store1 < 138.109083947  and attr store1 > 137.309083947 ) or 
       bondedto (attr store1 < 42.6236386844  and attr store1 > 41.8236386844 ))) 
6 0.1 0.1 peak 1371 volume 140.34052 ppm1 3.060 ppm2 4.838
 
! ############### C13_CNnoesy_manual.1372 folded -
assi (attr store1 < 2.058 and attr store1 > 1.958 )
     ((attr store1 < 3.091 and attr store1 > 3.031 ) and 
      (bondedto (attr store1 < 138.076083947  and attr store1 > 137.276083947 ) or 
       bondedto (attr store1 < 42.5906386844  and attr store1 > 41.7906386844 ))) 
6 0.1 0.1 peak 1372 volume 47.36066 ppm1 3.061 ppm2 2.008
 
! ############### C13_CNnoesy_manual.1373 folded -
assi (attr store1 < 1.842 and attr store1 > 1.742 )
     ((attr store1 < 3.091 and attr store1 > 3.031 ) and 
      (bondedto (attr store1 < 138.105083947  and attr store1 > 137.305083947 ) or 
       bondedto (attr store1 < 42.6196386844  and attr store1 > 41.8196386844 ))) 
6 0.1 0.1 peak 1373 volume 246.92999 ppm1 3.061 ppm2 1.792
 
! ############### C13_CNnoesy_manual.1374 folded -
assi (attr store1 < 1.051 and attr store1 > 0.951 )
     ((attr store1 < 3.093 and attr store1 > 3.033 ) and 
      (bondedto (attr store1 < 138.067083947  and attr store1 > 137.267083947 ) or 
       bondedto (attr store1 < 42.5816386844  and attr store1 > 41.7816386844 ))) 
6 0.1 0.1 peak 1374 volume 60.78323 ppm1 3.063 ppm2 1.001
 
! ############### C13_CNnoesy_manual.1375 folded -
assi (attr store1 < 1.631 and attr store1 > 1.531 )
     ((attr store1 < 3.089 and attr store1 > 3.029 ) and 
      (bondedto (attr store1 < 138.110083947  and attr store1 > 137.310083947 ) or 
       bondedto (attr store1 < 42.6246386844  and attr store1 > 41.8246386844 ))) 
6 0.1 0.1 peak 1375 volume 70.59238 ppm1 3.059 ppm2 1.581
 
! ############### C13_CNnoesy_manual.1376 folded -
assi (attr store1 < 2.069 and attr store1 > 1.969 )
     ((attr store1 < 2.908 and attr store1 > 2.848 ) and 
      (bondedto (attr store1 < 138.098083947  and attr store1 > 137.298083947 ) or 
       bondedto (attr store1 < 42.6126386844  and attr store1 > 41.8126386844 ))) 
6 0.1 0.1 peak 1376 volume 11.42602 ppm1 2.878 ppm2 2.019
 
! ############### C13_CNnoesy_manual.1377 folded -
assi (attr store1 < 1.83 and attr store1 > 1.73 )
     ((attr store1 < 2.915 and attr store1 > 2.855 ) and 
      (bondedto (attr store1 < 138.116083947  and attr store1 > 137.316083947 ) or 
       bondedto (attr store1 < 42.6306386844  and attr store1 > 41.8306386844 ))) 
6 0.1 0.1 peak 1377 volume 62.39889 ppm1 2.885 ppm2 1.780
 
! ############### C13_CNnoesy_manual.1378 folded -
assi (attr store1 < 1.083 and attr store1 > 0.983 )
     ((attr store1 < 2.916 and attr store1 > 2.856 ) and 
      (bondedto (attr store1 < 138.112083947  and attr store1 > 137.312083947 ) or 
       bondedto (attr store1 < 42.6266386844  and attr store1 > 41.8266386844 ))) 
6 0.1 0.1 peak 1378 volume 52.40939 ppm1 2.886 ppm2 1.033
 
! ############### C13_CNnoesy_manual.1379 folded +
assi (attr store1 < 1.095 and attr store1 > 0.995 )
     ((attr store1 < 1.074 and attr store1 > 1.014 ) and 
      (bondedto (attr store1 < 114.143722631  and attr store1 > 113.343722631 ) or 
       bondedto (attr store1 < 66.401  and attr store1 > 65.601 ) or 
       bondedto (attr store1 < 18.6582773688  and attr store1 > 17.8582773688 ))) 
6 0.1 0.1 peak 1379 volume 3682.12524 ppm1 1.044 ppm2 1.045
 
! ############### C13_CNnoesy_manual.1380 folded -
assi (attr store1 < 7.317 and attr store1 > 7.217 )
     ((attr store1 < 7.293 and attr store1 > 7.233 ) and 
      (bondedto (attr store1 < 138.027083947  and attr store1 > 137.227083947 ) or 
       bondedto (attr store1 < 42.5416386844  and attr store1 > 41.7416386844 ))) 
6 0.1 0.1 peak 1380 volume 23.95336 ppm1 7.263 ppm2 7.267
 
! ############### C13_CNnoesy_manual.1381 folded -
assi (attr store1 < 6.79 and attr store1 > 6.69 )
     ((attr store1 < 7.288 and attr store1 > 7.228 ) and 
      (bondedto (attr store1 < 138.019083947  and attr store1 > 137.219083947 ) or 
       bondedto (attr store1 < 42.5336386844  and attr store1 > 41.7336386844 ))) 
6 0.1 0.1 peak 1381 volume 6.03041 ppm1 7.258 ppm2 6.740
 
! ############### C13_CNnoesy_manual.1382 folded -
assi (attr store1 < 7.761 and attr store1 > 7.661 )
     ((attr store1 < 3.097 and attr store1 > 3.037 ) and 
      (bondedto (attr store1 < 138.001083947  and attr store1 > 137.201083947 ) or 
       bondedto (attr store1 < 42.5156386844  and attr store1 > 41.7156386844 ))) 
6 0.1 0.1 peak 1382 volume 5.85186 ppm1 3.067 ppm2 7.711
 
! ############### C13_CNnoesy_manual.1383 folded -
assi (attr store1 < 1.072 and attr store1 > 0.972 )
     ((attr store1 < 3.037 and attr store1 > 2.977 ) and 
      (bondedto (attr store1 < 138.059083947  and attr store1 > 137.259083947 ) or 
       bondedto (attr store1 < 42.5736386844  and attr store1 > 41.7736386844 ))) 
6 0.1 0.1 peak 1383 volume 45.55613 ppm1 3.007 ppm2 1.022
 
! ############### C13_CNnoesy_manual.1384 folded -
assi (attr store1 < 2.959 and attr store1 > 2.859 )
     ((attr store1 < 2.939 and attr store1 > 2.879 ) and 
      (bondedto (attr store1 < 138.017083947  and attr store1 > 137.217083947 ) or 
       bondedto (attr store1 < 42.5316386844  and attr store1 > 41.7316386844 ))) 
6 0.1 0.1 peak 1384 volume 5444.37109 ppm1 2.909 ppm2 2.909
 
! ############### C13_CNnoesy_manual.1385 folded -
assi (attr store1 < 1.685 and attr store1 > 1.585 )
     ((attr store1 < 2.939 and attr store1 > 2.879 ) and 
      (bondedto (attr store1 < 138.022083947  and attr store1 > 137.222083947 ) or 
       bondedto (attr store1 < 42.5366386844  and attr store1 > 41.7366386844 ))) 
6 0.1 0.1 peak 1385 volume 101.39083 ppm1 2.909 ppm2 1.635
 
! ############### C13_CNnoesy_manual.1386 folded -
assi (attr store1 < 1.331 and attr store1 > 1.231 )
     ((attr store1 < 2.939 and attr store1 > 2.879 ) and 
      (bondedto (attr store1 < 138.025083947  and attr store1 > 137.225083947 ) or 
       bondedto (attr store1 < 42.5396386844  and attr store1 > 41.7396386844 ))) 
6 0.1 0.1 peak 1386 volume 51.2714 ppm1 2.909 ppm2 1.281
 
! ############### C13_CNnoesy_manual.1387 folded -
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 2.933 and attr store1 > 2.873 ) and 
      (bondedto (attr store1 < 138.051083947  and attr store1 > 137.251083947 ) or 
       bondedto (attr store1 < 42.5656386844  and attr store1 > 41.7656386844 ))) 
6 0.1 0.1 peak 1387 volume 81.30595 ppm1 2.903 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1388 folded +
assi (attr store1 < 1.088 and attr store1 > 0.988 )
     ((attr store1 < 2.706 and attr store1 > 2.646 ) and 
      (bondedto (attr store1 < 114.057722631  and attr store1 > 113.257722631 ) or 
       bondedto (attr store1 < 66.315  and attr store1 > 65.515 ) or 
       bondedto (attr store1 < 18.5722773688  and attr store1 > 17.7722773688 ))) 
6 0.1 0.1 peak 1388 volume 8.20288 ppm1 2.676 ppm2 1.038
 
! ############### C13_CNnoesy_manual.1389 folded +
assi (attr store1 < 8.736 and attr store1 > 8.636 )
     ((attr store1 < 1.701 and attr store1 > 1.641 ) and 
      (bondedto (attr store1 < 114.008722631  and attr store1 > 113.208722631 ) or 
       bondedto (attr store1 < 66.266  and attr store1 > 65.466 ) or 
       bondedto (attr store1 < 18.5232773688  and attr store1 > 17.7232773688 ))) 
6 0.1 0.1 peak 1389 volume 7.48438 ppm1 1.671 ppm2 8.686
 
! ############### C13_CNnoesy_manual.1390 folded +
assi (attr store1 < 8.404 and attr store1 > 8.304 )
     ((attr store1 < 1.701 and attr store1 > 1.641 ) and 
      (bondedto (attr store1 < 114.019722631  and attr store1 > 113.219722631 ) or 
       bondedto (attr store1 < 66.277  and attr store1 > 65.477 ) or 
       bondedto (attr store1 < 18.5342773688  and attr store1 > 17.7342773688 ))) 
6 0.1 0.1 peak 1390 volume 104.84155 ppm1 1.671 ppm2 8.354
 
! ############### C13_CNnoesy_manual.1391 folded +
assi (attr store1 < 8.071 and attr store1 > 7.971 )
     ((attr store1 < 1.702 and attr store1 > 1.642 ) and 
      (bondedto (attr store1 < 114.030722631  and attr store1 > 113.230722631 ) or 
       bondedto (attr store1 < 66.288  and attr store1 > 65.488 ) or 
       bondedto (attr store1 < 18.5452773688  and attr store1 > 17.7452773688 ))) 
6 0.1 0.1 peak 1391 volume 6.35542 ppm1 1.672 ppm2 8.021
 
! ############### C13_CNnoesy_manual.1392 folded +
assi (attr store1 < 7.791 and attr store1 > 7.691 )
     ((attr store1 < 1.7 and attr store1 > 1.64 ) and 
      (bondedto (attr store1 < 114.017722631  and attr store1 > 113.217722631 ) or 
       bondedto (attr store1 < 66.275  and attr store1 > 65.475 ) or 
       bondedto (attr store1 < 18.5322773688  and attr store1 > 17.7322773688 ))) 
6 0.1 0.1 peak 1392 volume 9.82563 ppm1 1.670 ppm2 7.741
 
! ############### C13_CNnoesy_manual.1393 folded +
assi (attr store1 < 4.271 and attr store1 > 4.171 )
     ((attr store1 < 1.7 and attr store1 > 1.64 ) and 
      (bondedto (attr store1 < 114.014722631  and attr store1 > 113.214722631 ) or 
       bondedto (attr store1 < 66.272  and attr store1 > 65.472 ) or 
       bondedto (attr store1 < 18.5292773688  and attr store1 > 17.7292773688 ))) 
6 0.1 0.1 peak 1393 volume 184.29329 ppm1 1.670 ppm2 4.221
 
! ############### C13_CNnoesy_manual.1394 folded +
assi (attr store1 < 1.719 and attr store1 > 1.619 )
     ((attr store1 < 1.701 and attr store1 > 1.641 ) and 
      (bondedto (attr store1 < 114.013722631  and attr store1 > 113.213722631 ) or 
       bondedto (attr store1 < 66.271  and attr store1 > 65.471 ) or 
       bondedto (attr store1 < 18.5282773688  and attr store1 > 17.7282773688 ))) 
6 0.1 0.1 peak 1394 volume 3421.06787 ppm1 1.671 ppm2 1.669
 
! ############### C13_CNnoesy_manual.1395 folded +
assi (attr store1 < 1.563 and attr store1 > 1.463 )
     ((attr store1 < 1.698 and attr store1 > 1.638 ) and 
      (bondedto (attr store1 < 114.012722631  and attr store1 > 113.212722631 ) or 
       bondedto (attr store1 < 66.27  and attr store1 > 65.47 ) or 
       bondedto (attr store1 < 18.5272773688  and attr store1 > 17.7272773688 ))) 
6 0.1 0.1 peak 1395 volume 88.01343 ppm1 1.668 ppm2 1.513
 
! ############### C13_CNnoesy_manual.1396 folded +
assi (attr store1 < 1.031 and attr store1 > 0.931 )
     ((attr store1 < 1.699 and attr store1 > 1.639 ) and 
      (bondedto (attr store1 < 114.014722631  and attr store1 > 113.214722631 ) or 
       bondedto (attr store1 < 66.272  and attr store1 > 65.472 ) or 
       bondedto (attr store1 < 18.5292773688  and attr store1 > 17.7292773688 ))) 
6 0.1 0.1 peak 1396 volume 38.38030 ppm1 1.669 ppm2 0.981
 
! ############### C13_CNnoesy_manual.1397 folded +
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 1.693 and attr store1 > 1.633 ) and 
      (bondedto (attr store1 < 114.024722631  and attr store1 > 113.224722631 ) or 
       bondedto (attr store1 < 66.282  and attr store1 > 65.482 ) or 
       bondedto (attr store1 < 18.5392773688  and attr store1 > 17.7392773688 ))) 
6 0.1 0.1 peak 1397 volume 12.76286 ppm1 1.663 ppm2 4.838
 
! ############### C13_CNnoesy_manual.1398 folded -
assi (attr store1 < 8.711 and attr store1 > 8.611 )
     ((attr store1 < 3.023 and attr store1 > 2.963 ) and 
      (bondedto (attr store1 < 137.915083947  and attr store1 > 137.115083947 ) or 
       bondedto (attr store1 < 42.4296386844  and attr store1 > 41.6296386844 ))) 
6 0.1 0.1 peak 1398 volume 11.45154 ppm1 2.993 ppm2 8.661
 
! ############### C13_CNnoesy_manual.1399 folded -
assi (attr store1 < 7.838 and attr store1 > 7.738 )
     ((attr store1 < 3.022 and attr store1 > 2.962 ) and 
      (bondedto (attr store1 < 137.910083947  and attr store1 > 137.110083947 ) or 
       bondedto (attr store1 < 42.4246386844  and attr store1 > 41.6246386844 ))) 
6 0.1 0.1 peak 1399 volume 12.62986 ppm1 2.992 ppm2 7.788
 
! ############### C13_CNnoesy_manual.1400 folded -
assi (attr store1 < 5.519 and attr store1 > 5.419 )
     ((attr store1 < 3.018 and attr store1 > 2.958 ) and 
      (bondedto (attr store1 < 137.894083947  and attr store1 > 137.094083947 ) or 
       bondedto (attr store1 < 42.4086386844  and attr store1 > 41.6086386844 ))) 
6 0.1 0.1 peak 1400 volume 19.19487 ppm1 2.988 ppm2 5.469
 
! ############### C13_CNnoesy_manual.1401 folded -
assi (attr store1 < 2.472 and attr store1 > 2.372 )
     ((attr store1 < 3.021 and attr store1 > 2.961 ) and 
      (bondedto (attr store1 < 137.904083947  and attr store1 > 137.104083947 ) or 
       bondedto (attr store1 < 42.4186386844  and attr store1 > 41.6186386844 ))) 
6 0.1 0.1 peak 1401 volume 91.00517 ppm1 2.991 ppm2 2.422
 
! ############### C13_CNnoesy_manual.1402 folded -
assi (attr store1 < 1.318 and attr store1 > 1.218 )
     ((attr store1 < 3.02 and attr store1 > 2.96 ) and 
      (bondedto (attr store1 < 137.923083947  and attr store1 > 137.123083947 ) or 
       bondedto (attr store1 < 42.4376386844  and attr store1 > 41.6376386844 ))) 
6 0.1 0.1 peak 1402 volume 14.99408 ppm1 2.990 ppm2 1.268
 
! ############### C13_CNnoesy_manual.1403 folded -
assi (attr store1 < 2.483 and attr store1 > 2.383 )
     ((attr store1 < 2.946 and attr store1 > 2.886 ) and 
      (bondedto (attr store1 < 137.936083947  and attr store1 > 137.136083947 ) or 
       bondedto (attr store1 < 42.4506386844  and attr store1 > 41.6506386844 ))) 
6 0.1 0.1 peak 1403 volume 9.25677 ppm1 2.916 ppm2 2.433
 
! ############### C13_CNnoesy_manual.1404 folded -
assi (attr store1 < 7.843 and attr store1 > 7.743 )
     ((attr store1 < 2.454 and attr store1 > 2.394 ) and 
      (bondedto (attr store1 < 137.916083947  and attr store1 > 137.116083947 ) or 
       bondedto (attr store1 < 42.4306386844  and attr store1 > 41.6306386844 ))) 
6 0.1 0.1 peak 1404 volume 13.43251 ppm1 2.424 ppm2 7.793
 
! ############### C13_CNnoesy_manual.1405 folded -
assi (attr store1 < 7.493 and attr store1 > 7.393 )
     ((attr store1 < 2.452 and attr store1 > 2.392 ) and 
      (bondedto (attr store1 < 137.940083947  and attr store1 > 137.140083947 ) or 
       bondedto (attr store1 < 42.4546386844  and attr store1 > 41.6546386844 ))) 
6 0.1 0.1 peak 1405 volume 6.90142 ppm1 2.422 ppm2 7.443
 
! ############### C13_CNnoesy_manual.1406 folded -
assi (attr store1 < 5.518 and attr store1 > 5.418 )
     ((attr store1 < 2.453 and attr store1 > 2.393 ) and 
      (bondedto (attr store1 < 137.916083947  and attr store1 > 137.116083947 ) or 
       bondedto (attr store1 < 42.4306386844  and attr store1 > 41.6306386844 ))) 
6 0.1 0.1 peak 1406 volume 11.08043 ppm1 2.423 ppm2 5.468
 
! ############### C13_CNnoesy_manual.1407 folded -
assi (attr store1 < 3.042 and attr store1 > 2.942 )
     ((attr store1 < 2.452 and attr store1 > 2.392 ) and 
      (bondedto (attr store1 < 137.910083947  and attr store1 > 137.110083947 ) or 
       bondedto (attr store1 < 42.4246386844  and attr store1 > 41.6246386844 ))) 
6 0.1 0.1 peak 1407 volume 80.00146 ppm1 2.422 ppm2 2.992
 
! ############### C13_CNnoesy_manual.1408 folded -
assi (attr store1 < 2.476 and attr store1 > 2.376 )
     ((attr store1 < 2.456 and attr store1 > 2.396 ) and 
      (bondedto (attr store1 < 137.911083947  and attr store1 > 137.111083947 ) or 
       bondedto (attr store1 < 42.4256386844  and attr store1 > 41.6256386844 ))) 
6 0.1 0.1 peak 1408 volume 79.06201 ppm1 2.426 ppm2 2.426
 
! ############### C13_CNnoesy_manual.1409 folded -
assi (attr store1 < 1.789 and attr store1 > 1.689 )
     ((attr store1 < 2.455 and attr store1 > 2.395 ) and 
      (bondedto (attr store1 < 137.911083947  and attr store1 > 137.111083947 ) or 
       bondedto (attr store1 < 42.4256386844  and attr store1 > 41.6256386844 ))) 
6 0.1 0.1 peak 1409 volume 9.14871 ppm1 2.425 ppm2 1.739
 
! ############### C13_CNnoesy_manual.1410 folded -
assi (attr store1 < 1.438 and attr store1 > 1.338 )
     ((attr store1 < 2.454 and attr store1 > 2.394 ) and 
      (bondedto (attr store1 < 137.885083947  and attr store1 > 137.085083947 ) or 
       bondedto (attr store1 < 42.3996386844  and attr store1 > 41.5996386844 ))) 
6 0.1 0.1 peak 1410 volume 10.10428 ppm1 2.424 ppm2 1.388
 
! ############### C13_CNnoesy_manual.1411 folded -
assi (attr store1 < 1.323 and attr store1 > 1.223 )
     ((attr store1 < 2.453 and attr store1 > 2.393 ) and 
      (bondedto (attr store1 < 137.893083947  and attr store1 > 137.093083947 ) or 
       bondedto (attr store1 < 42.4076386844  and attr store1 > 41.6076386844 ))) 
6 0.1 0.1 peak 1411 volume 11.50028 ppm1 2.423 ppm2 1.273
 
! ############### C13_CNnoesy_manual.1412 folded -
assi (attr store1 < 8.716 and attr store1 > 8.616 )
     ((attr store1 < 2.451 and attr store1 > 2.391 ) and 
      (bondedto (attr store1 < 137.901083947  and attr store1 > 137.101083947 ) or 
       bondedto (attr store1 < 42.4156386844  and attr store1 > 41.6156386844 ))) 
6 0.1 0.1 peak 1412 volume 9.44274 ppm1 2.421 ppm2 8.666
 
! ############### C13_CNnoesy_manual.1413 folded -
assi (attr store1 < 3.017 and attr store1 > 2.917 )
     ((attr store1 < 2.346 and attr store1 > 2.286 ) and 
      (bondedto (attr store1 < 137.941083947  and attr store1 > 137.141083947 ) or 
       bondedto (attr store1 < 42.4556386844  and attr store1 > 41.6556386844 ))) 
6 0.1 0.1 peak 1413 volume 8.3849 ppm1 2.316 ppm2 2.967
 
! ############### C13_CNnoesy_manual.1414 folded -
assi (attr store1 < 8.233 and attr store1 > 8.133 )
     ((attr store1 < 1.898 and attr store1 > 1.838 ) and 
      (bondedto (attr store1 < 137.902083947  and attr store1 > 137.102083947 ) or 
       bondedto (attr store1 < 42.4166386844  and attr store1 > 41.6166386844 ))) 
6 0.1 0.1 peak 1414 volume 33.64393 ppm1 1.868 ppm2 8.183
 
! ############### C13_CNnoesy_manual.1415 folded -
assi (attr store1 < 4.619 and attr store1 > 4.519 )
     ((attr store1 < 1.896 and attr store1 > 1.836 ) and 
      (bondedto (attr store1 < 137.897083947  and attr store1 > 137.097083947 ) or 
       bondedto (attr store1 < 42.4116386844  and attr store1 > 41.6116386844 ))) 
6 0.1 0.1 peak 1415 volume 12.03262 ppm1 1.866 ppm2 4.569
 
! ############### C13_CNnoesy_manual.1416 folded -
assi (attr store1 < 4.346 and attr store1 > 4.246 )
     ((attr store1 < 1.899 and attr store1 > 1.839 ) and 
      (bondedto (attr store1 < 137.891083947  and attr store1 > 137.091083947 ) or 
       bondedto (attr store1 < 42.4056386844  and attr store1 > 41.6056386844 ))) 
6 0.1 0.1 peak 1416 volume 32.79137 ppm1 1.869 ppm2 4.296
 
! ############### C13_CNnoesy_manual.1417 folded -
assi (attr store1 < 1.863 and attr store1 > 1.763 )
     ((attr store1 < 1.898 and attr store1 > 1.838 ) and 
      (bondedto (attr store1 < 137.909083947  and attr store1 > 137.109083947 ) or 
       bondedto (attr store1 < 42.4236386844  and attr store1 > 41.6236386844 ))) 
6 0.1 0.1 peak 1417 volume 388.10114 ppm1 1.868 ppm2 1.813
 
! ############### C13_CNnoesy_manual.1418 folded -
assi (attr store1 < 1.049 and attr store1 > 0.949 )
     ((attr store1 < 1.894 and attr store1 > 1.834 ) and 
      (bondedto (attr store1 < 137.957083947  and attr store1 > 137.157083947 ) or 
       bondedto (attr store1 < 42.4716386844  and attr store1 > 41.6716386844 ))) 
6 0.1 0.1 peak 1418 volume 55.26607 ppm1 1.864 ppm2 0.999
 
! ############### C13_CNnoesy_manual.1419 folded -
assi (attr store1 < 8.231 and attr store1 > 8.131 )
     ((attr store1 < 1.803 and attr store1 > 1.743 ) and 
      (bondedto (attr store1 < 137.901083947  and attr store1 > 137.101083947 ) or 
       bondedto (attr store1 < 42.4156386844  and attr store1 > 41.6156386844 ))) 
6 0.1 0.1 peak 1419 volume 31.29658 ppm1 1.773 ppm2 8.181
 
! ############### C13_CNnoesy_manual.1420 folded -
assi (attr store1 < 4.612 and attr store1 > 4.512 )
     ((attr store1 < 1.805 and attr store1 > 1.745 ) and 
      (bondedto (attr store1 < 137.927083947  and attr store1 > 137.127083947 ) or 
       bondedto (attr store1 < 42.4416386844  and attr store1 > 41.6416386844 ))) 
6 0.1 0.1 peak 1420 volume 11.70481 ppm1 1.775 ppm2 4.562
 
! ############### C13_CNnoesy_manual.1421 folded -
assi (attr store1 < 4.346 and attr store1 > 4.246 )
     ((attr store1 < 1.806 and attr store1 > 1.746 ) and 
      (bondedto (attr store1 < 137.885083947  and attr store1 > 137.085083947 ) or 
       bondedto (attr store1 < 42.3996386844  and attr store1 > 41.5996386844 ))) 
6 0.1 0.1 peak 1421 volume 31.68202 ppm1 1.776 ppm2 4.296
 
! ############### C13_CNnoesy_manual.1422 folded +
assi (attr store1 < 2.091 and attr store1 > 1.991 )
     ((attr store1 < 1.698 and attr store1 > 1.638 ) and 
      (bondedto (attr store1 < 114.002722631  and attr store1 > 113.202722631 ) or 
       bondedto (attr store1 < 66.26  and attr store1 > 65.46 ) or 
       bondedto (attr store1 < 18.5172773688  and attr store1 > 17.7172773688 ))) 
6 0.1 0.1 peak 1422 volume 32.78072 ppm1 1.668 ppm2 2.041
 
! ############### C13_CNnoesy_manual.1423 folded +
assi (attr store1 < 2.008 and attr store1 > 1.908 )
     ((attr store1 < 1.697 and attr store1 > 1.637 ) and 
      (bondedto (attr store1 < 113.987722631  and attr store1 > 113.187722631 ) or 
       bondedto (attr store1 < 66.245  and attr store1 > 65.445 ) or 
       bondedto (attr store1 < 18.5022773688  and attr store1 > 17.7022773688 ))) 
6 0.1 0.1 peak 1423 volume 24.27078 ppm1 1.667 ppm2 1.958
 
! ############### C13_CNnoesy_manual.1424 folded +
assi (attr store1 < 1.888 and attr store1 > 1.788 )
     ((attr store1 < 1.698 and attr store1 > 1.638 ) and 
      (bondedto (attr store1 < 113.990722631  and attr store1 > 113.190722631 ) or 
       bondedto (attr store1 < 66.248  and attr store1 > 65.448 ) or 
       bondedto (attr store1 < 18.5052773688  and attr store1 > 17.7052773688 ))) 
6 0.1 0.1 peak 1424 volume 59.66444 ppm1 1.668 ppm2 1.838
 
! ############### C13_CNnoesy_manual.1425 folded +
assi (attr store1 < 1.348 and attr store1 > 1.248 )
     ((attr store1 < 1.698 and attr store1 > 1.638 ) and 
      (bondedto (attr store1 < 114.004722631  and attr store1 > 113.204722631 ) or 
       bondedto (attr store1 < 66.262  and attr store1 > 65.462 ) or 
       bondedto (attr store1 < 18.5192773688  and attr store1 > 17.7192773688 ))) 
6 0.1 0.1 peak 1425 volume 13.61442 ppm1 1.668 ppm2 1.298
 
! ############### C13_CNnoesy_manual.1426 folded +
assi (attr store1 < 6.779 and attr store1 > 6.679 )
     ((attr store1 < 1.394 and attr store1 > 1.334 ) and 
      (bondedto (attr store1 < 113.926722631  and attr store1 > 113.126722631 ) or 
       bondedto (attr store1 < 66.184  and attr store1 > 65.384 ) or 
       bondedto (attr store1 < 18.4412773688  and attr store1 > 17.6412773688 ))) 
6 0.1 0.1 peak 1426 volume 5.88705 ppm1 1.364 ppm2 6.729
 
! ############### C13_CNnoesy_manual.1427 folded +
assi (attr store1 < 8.061 and attr store1 > 7.961 )
     ((attr store1 < 1.066 and attr store1 > 1.006 ) and 
      (bondedto (attr store1 < 113.932722631  and attr store1 > 113.132722631 ) or 
       bondedto (attr store1 < 66.19  and attr store1 > 65.39 ) or 
       bondedto (attr store1 < 18.4472773688  and attr store1 > 17.6472773688 ))) 
6 0.1 0.1 peak 1427 volume 29.16612 ppm1 1.036 ppm2 8.011
 
! ############### C13_CNnoesy_manual.1428 folded +
assi (attr store1 < 4.89 and attr store1 > 4.79 )
     ((attr store1 < 1.065 and attr store1 > 1.005 ) and 
      (bondedto (attr store1 < 113.980722631  and attr store1 > 113.180722631 ) or 
       bondedto (attr store1 < 66.238  and attr store1 > 65.438 ) or 
       bondedto (attr store1 < 18.4952773688  and attr store1 > 17.6952773688 ))) 
6 0.1 0.1 peak 1428 volume 30.45580 ppm1 1.035 ppm2 4.840
 
! ############### C13_CNnoesy_manual.1429 folded +
assi (attr store1 < 4.488 and attr store1 > 4.388 )
     ((attr store1 < 1.067 and attr store1 > 1.007 ) and 
      (bondedto (attr store1 < 113.917722631  and attr store1 > 113.117722631 ) or 
       bondedto (attr store1 < 66.175  and attr store1 > 65.375 ) or 
       bondedto (attr store1 < 18.4322773688  and attr store1 > 17.6322773688 ))) 
6 0.1 0.1 peak 1429 volume 65.06769 ppm1 1.037 ppm2 4.438
 
! ############### C13_CNnoesy_manual.1430 folded +
assi (attr store1 < 2.635 and attr store1 > 2.535 )
     ((attr store1 < 1.069 and attr store1 > 1.009 ) and 
      (bondedto (attr store1 < 113.915722631  and attr store1 > 113.115722631 ) or 
       bondedto (attr store1 < 66.173  and attr store1 > 65.373 ) or 
       bondedto (attr store1 < 18.4302773688  and attr store1 > 17.6302773688 ))) 
6 0.1 0.1 peak 1430 volume 19.31360 ppm1 1.039 ppm2 2.585
 
! ############### C13_CNnoesy_manual.1431 folded +
assi (attr store1 < 2.125 and attr store1 > 2.025 )
     ((attr store1 < 1.067 and attr store1 > 1.007 ) and 
      (bondedto (attr store1 < 113.940722631  and attr store1 > 113.140722631 ) or 
       bondedto (attr store1 < 66.198  and attr store1 > 65.398 ) or 
       bondedto (attr store1 < 18.4552773688  and attr store1 > 17.6552773688 ))) 
6 0.1 0.1 peak 1431 volume 162.08258 ppm1 1.037 ppm2 2.075
 
! ############### C13_CNnoesy_manual.1432 folded +
assi (attr store1 < 1.839 and attr store1 > 1.739 )
     ((attr store1 < 1.068 and attr store1 > 1.008 ) and 
      (bondedto (attr store1 < 114.002722631  and attr store1 > 113.202722631 ) or 
       bondedto (attr store1 < 66.26  and attr store1 > 65.46 ) or 
       bondedto (attr store1 < 18.5172773688  and attr store1 > 17.7172773688 ))) 
6 0.1 0.1 peak 1432 volume 84.92055 ppm1 1.038 ppm2 1.789
 
! ############### C13_CNnoesy_manual.1433 folded +
assi (attr store1 < 1.45 and attr store1 > 1.35 )
     ((attr store1 < 1.067 and attr store1 > 1.007 ) and 
      (bondedto (attr store1 < 113.915722631  and attr store1 > 113.115722631 ) or 
       bondedto (attr store1 < 66.173  and attr store1 > 65.373 ) or 
       bondedto (attr store1 < 18.4302773688  and attr store1 > 17.6302773688 ))) 
6 0.1 0.1 peak 1433 volume 86.63398 ppm1 1.037 ppm2 1.400
 
! ############### C13_CNnoesy_manual.1434 folded +
assi (attr store1 < 1.43 and attr store1 > 1.33 )
     ((attr store1 < 0.916 and attr store1 > 0.856 ) and 
      (bondedto (attr store1 < 113.929722631  and attr store1 > 113.129722631 ) or 
       bondedto (attr store1 < 66.187  and attr store1 > 65.387 ) or 
       bondedto (attr store1 < 18.4442773688  and attr store1 > 17.6442773688 ))) 
6 0.1 0.1 peak 1434 volume 7.94809 ppm1 0.886 ppm2 1.380
 
! ############### C13_CNnoesy_manual.1435 folded +
assi (attr store1 < 1.722 and attr store1 > 1.622 )
     ((attr store1 < 0.849 and attr store1 > 0.789 ) and 
      (bondedto (attr store1 < 113.956722631  and attr store1 > 113.156722631 ) or 
       bondedto (attr store1 < 66.214  and attr store1 > 65.414 ) or 
       bondedto (attr store1 < 18.4712773688  and attr store1 > 17.6712773688 ))) 
6 0.1 0.1 peak 1435 volume 10.17115 ppm1 0.819 ppm2 1.672
 
! ############### C13_CNnoesy_manual.1436 folded +
assi (attr store1 < 8.71 and attr store1 > 8.61 )
     ((attr store1 < 0.789 and attr store1 > 0.729 ) and 
      (bondedto (attr store1 < 113.934722631  and attr store1 > 113.134722631 ) or 
       bondedto (attr store1 < 66.192  and attr store1 > 65.392 ) or 
       bondedto (attr store1 < 18.4492773688  and attr store1 > 17.6492773688 ))) 
6 0.1 0.1 peak 1436 volume 33.91435 ppm1 0.759 ppm2 8.660
 
! ############### C13_CNnoesy_manual.1437 folded +
assi (attr store1 < 8.06 and attr store1 > 7.96 )
     ((attr store1 < 0.79 and attr store1 > 0.73 ) and 
      (bondedto (attr store1 < 113.918722631  and attr store1 > 113.118722631 ) or 
       bondedto (attr store1 < 66.176  and attr store1 > 65.376 ) or 
       bondedto (attr store1 < 18.4332773688  and attr store1 > 17.6332773688 ))) 
6 0.1 0.1 peak 1437 volume 28.90047 ppm1 0.760 ppm2 8.010
 
! ############### C13_CNnoesy_manual.1438 folded +
assi (attr store1 < 4.612 and attr store1 > 4.512 )
     ((attr store1 < 0.787 and attr store1 > 0.727 ) and 
      (bondedto (attr store1 < 113.918722631  and attr store1 > 113.118722631 ) or 
       bondedto (attr store1 < 66.176  and attr store1 > 65.376 ) or 
       bondedto (attr store1 < 18.4332773688  and attr store1 > 17.6332773688 ))) 
6 0.1 0.1 peak 1438 volume 7.00769 ppm1 0.757 ppm2 4.562
 
! ############### C13_CNnoesy_manual.1439 folded +
assi (attr store1 < 4.353 and attr store1 > 4.253 )
     ((attr store1 < 0.788 and attr store1 > 0.728 ) and 
      (bondedto (attr store1 < 113.953722631  and attr store1 > 113.153722631 ) or 
       bondedto (attr store1 < 66.211  and attr store1 > 65.411 ) or 
       bondedto (attr store1 < 18.4682773688  and attr store1 > 17.6682773688 ))) 
6 0.1 0.1 peak 1439 volume 10.78234 ppm1 0.758 ppm2 4.303
 
! ############### C13_CNnoesy_manual.1440 folded +
assi (attr store1 < 4.163 and attr store1 > 4.063 )
     ((attr store1 < 0.789 and attr store1 > 0.729 ) and 
      (bondedto (attr store1 < 113.928722631  and attr store1 > 113.128722631 ) or 
       bondedto (attr store1 < 66.186  and attr store1 > 65.386 ) or 
       bondedto (attr store1 < 18.4432773688  and attr store1 > 17.6432773688 ))) 
6 0.1 0.1 peak 1440 volume 82.93981 ppm1 0.759 ppm2 4.113
 
! ############### C13_CNnoesy_manual.1441 folded +
assi (attr store1 < 3.882 and attr store1 > 3.782 )
     ((attr store1 < 0.788 and attr store1 > 0.728 ) and 
      (bondedto (attr store1 < 113.922722631  and attr store1 > 113.122722631 ) or 
       bondedto (attr store1 < 66.18  and attr store1 > 65.38 ) or 
       bondedto (attr store1 < 18.4372773688  and attr store1 > 17.6372773688 ))) 
6 0.1 0.1 peak 1441 volume 40.44288 ppm1 0.758 ppm2 3.832
 
! ############### C13_CNnoesy_manual.1442 folded +
assi (attr store1 < 2.349 and attr store1 > 2.249 )
     ((attr store1 < 0.789 and attr store1 > 0.729 ) and 
      (bondedto (attr store1 < 113.927722631  and attr store1 > 113.127722631 ) or 
       bondedto (attr store1 < 66.185  and attr store1 > 65.385 ) or 
       bondedto (attr store1 < 18.4422773688  and attr store1 > 17.6422773688 ))) 
6 0.1 0.1 peak 1442 volume 107.70229 ppm1 0.759 ppm2 2.299
 
! ############### C13_CNnoesy_manual.1443 folded +
assi (attr store1 < 2.193 and attr store1 > 2.093 )
     ((attr store1 < 0.789 and attr store1 > 0.729 ) and 
      (bondedto (attr store1 < 113.918722631  and attr store1 > 113.118722631 ) or 
       bondedto (attr store1 < 66.176  and attr store1 > 65.376 ) or 
       bondedto (attr store1 < 18.4332773688  and attr store1 > 17.6332773688 ))) 
6 0.1 0.1 peak 1443 volume 41.28991 ppm1 0.759 ppm2 2.143
 
! ############### C13_CNnoesy_manual.1444 folded +
assi (attr store1 < 1.975 and attr store1 > 1.875 )
     ((attr store1 < 0.788 and attr store1 > 0.728 ) and 
      (bondedto (attr store1 < 113.914722631  and attr store1 > 113.114722631 ) or 
       bondedto (attr store1 < 66.172  and attr store1 > 65.372 ) or 
       bondedto (attr store1 < 18.4292773688  and attr store1 > 17.6292773688 ))) 
6 0.1 0.1 peak 1444 volume 50.16371 ppm1 0.758 ppm2 1.925
 
! ############### C13_CNnoesy_manual.1445 folded +
assi (attr store1 < 1.749 and attr store1 > 1.649 )
     ((attr store1 < 0.787 and attr store1 > 0.727 ) and 
      (bondedto (attr store1 < 113.924722631  and attr store1 > 113.124722631 ) or 
       bondedto (attr store1 < 66.182  and attr store1 > 65.382 ) or 
       bondedto (attr store1 < 18.4392773688  and attr store1 > 17.6392773688 ))) 
6 0.1 0.1 peak 1445 volume 21.94893 ppm1 0.757 ppm2 1.699
 
! ############### C13_CNnoesy_manual.1446 folded +
assi (attr store1 < 1.591 and attr store1 > 1.491 )
     ((attr store1 < 0.786 and attr store1 > 0.726 ) and 
      (bondedto (attr store1 < 113.930722631  and attr store1 > 113.130722631 ) or 
       bondedto (attr store1 < 66.188  and attr store1 > 65.388 ) or 
       bondedto (attr store1 < 18.4452773688  and attr store1 > 17.6452773688 ))) 
6 0.1 0.1 peak 1446 volume 42.12255 ppm1 0.756 ppm2 1.541
 
! ############### C13_CNnoesy_manual.1447 folded +
assi (attr store1 < 1.415 and attr store1 > 1.315 )
     ((attr store1 < 0.789 and attr store1 > 0.729 ) and 
      (bondedto (attr store1 < 113.926722631  and attr store1 > 113.126722631 ) or 
       bondedto (attr store1 < 66.184  and attr store1 > 65.384 ) or 
       bondedto (attr store1 < 18.4412773688  and attr store1 > 17.6412773688 ))) 
6 0.1 0.1 peak 1447 volume 151.22270 ppm1 0.759 ppm2 1.365
 
! ############### C13_CNnoesy_manual.1448 folded +
assi (attr store1 < 0.808 and attr store1 > 0.708 )
     ((attr store1 < 0.788 and attr store1 > 0.728 ) and 
      (bondedto (attr store1 < 113.930722631  and attr store1 > 113.130722631 ) or 
       bondedto (attr store1 < 66.188  and attr store1 > 65.388 ) or 
       bondedto (attr store1 < 18.4452773688  and attr store1 > 17.6452773688 ))) 
6 0.1 0.1 peak 1448 volume 2676.28833 ppm1 0.758 ppm2 0.758
 
! ############### C13_CNnoesy_manual.1449 folded +
assi (attr store1 < 0.644 and attr store1 > 0.544 )
     ((attr store1 < 0.787 and attr store1 > 0.727 ) and 
      (bondedto (attr store1 < 113.924722631  and attr store1 > 113.124722631 ) or 
       bondedto (attr store1 < 66.182  and attr store1 > 65.382 ) or 
       bondedto (attr store1 < 18.4392773688  and attr store1 > 17.6392773688 ))) 
6 0.1 0.1 peak 1449 volume 54.60461 ppm1 0.757 ppm2 0.594
 
! ############### C13_CNnoesy_manual.1450 folded +
assi (attr store1 < 0.538 and attr store1 > 0.438 )
     ((attr store1 < 0.783 and attr store1 > 0.723 ) and 
      (bondedto (attr store1 < 113.926722631  and attr store1 > 113.126722631 ) or 
       bondedto (attr store1 < 66.184  and attr store1 > 65.384 ) or 
       bondedto (attr store1 < 18.4412773688  and attr store1 > 17.6412773688 ))) 
6 0.1 0.1 peak 1450 volume 18.66610 ppm1 0.753 ppm2 0.488
 
! ############### C13_CNnoesy_manual.1451 folded +
assi (attr store1 < 0.128 and attr store1 > 0.028 )
     ((attr store1 < 0.78 and attr store1 > 0.72 ) and 
      (bondedto (attr store1 < 113.923722631  and attr store1 > 113.123722631 ) or 
       bondedto (attr store1 < 66.181  and attr store1 > 65.381 ) or 
       bondedto (attr store1 < 18.4382773688  and attr store1 > 17.6382773688 ))) 
6 0.1 0.1 peak 1451 volume 15.84888 ppm1 0.750 ppm2 0.078
 
! ############### C13_CNnoesy_manual.1452 folded -
assi (attr store1 < 2.225 and attr store1 > 2.125 )
     ((attr store1 < 3.12 and attr store1 > 3.06 ) and 
      (bondedto (attr store1 < 137.825083947  and attr store1 > 137.025083947 ) or 
       bondedto (attr store1 < 42.3396386844  and attr store1 > 41.5396386844 ))) 
6 0.1 0.1 peak 1452 volume 19.48107 ppm1 3.090 ppm2 2.175
 
! ############### C13_CNnoesy_manual.1453 folded -
assi (attr store1 < 2.221 and attr store1 > 2.121 )
     ((attr store1 < 3.048 and attr store1 > 2.988 ) and 
      (bondedto (attr store1 < 137.847083947  and attr store1 > 137.047083947 ) or 
       bondedto (attr store1 < 42.3616386844  and attr store1 > 41.5616386844 ))) 
6 0.1 0.1 peak 1453 volume 21.00914 ppm1 3.018 ppm2 2.171
 
! ############### C13_CNnoesy_manual.1454 folded -
assi (attr store1 < 0.827 and attr store1 > 0.727 )
     ((attr store1 < 2.459 and attr store1 > 2.399 ) and 
      (bondedto (attr store1 < 137.852083947  and attr store1 > 137.052083947 ) or 
       bondedto (attr store1 < 42.3666386844  and attr store1 > 41.5666386844 ))) 
6 0.1 0.1 peak 1454 volume 15.35302 ppm1 2.429 ppm2 0.777
 
! ############### C13_CNnoesy_manual.1455 folded -
assi (attr store1 < 4.884 and attr store1 > 4.784 )
     ((attr store1 < 1.906 and attr store1 > 1.846 ) and 
      (bondedto (attr store1 < 137.798083947  and attr store1 > 136.998083947 ) or 
       bondedto (attr store1 < 42.3126386844  and attr store1 > 41.5126386844 ))) 
6 0.1 0.1 peak 1455 volume 7.67669 ppm1 1.876 ppm2 4.834
 
! ############### C13_CNnoesy_manual.1456 folded -
assi (attr store1 < 1.854 and attr store1 > 1.754 )
     ((attr store1 < 1.806 and attr store1 > 1.746 ) and 
      (bondedto (attr store1 < 137.831083947  and attr store1 > 137.031083947 ) or 
       bondedto (attr store1 < 42.3456386844  and attr store1 > 41.5456386844 ))) 
6 0.1 0.1 peak 1456 volume 447.15271 ppm1 1.776 ppm2 1.804
 
! ############### C13_CNnoesy_manual.1457 folded -
assi (attr store1 < 1.054 and attr store1 > 0.954 )
     ((attr store1 < 1.806 and attr store1 > 1.746 ) and 
      (bondedto (attr store1 < 137.792083947  and attr store1 > 136.992083947 ) or 
       bondedto (attr store1 < 42.3066386844  and attr store1 > 41.5066386844 ))) 
6 0.1 0.1 peak 1457 volume 77.32434 ppm1 1.776 ppm2 1.004
 
! ############### C13_CNnoesy_manual.1458 folded +
assi (attr store1 < 3.099 and attr store1 > 2.999 )
     ((attr store1 < 1.975 and attr store1 > 1.915 ) and 
      (bondedto (attr store1 < 113.898722631  and attr store1 > 113.098722631 ) or 
       bondedto (attr store1 < 66.156  and attr store1 > 65.356 ) or 
       bondedto (attr store1 < 18.4132773688  and attr store1 > 17.6132773688 ))) 
6 0.1 0.1 peak 1458 volume 8.92564 ppm1 1.945 ppm2 3.049
 
! ############### C13_CNnoesy_manual.1459 folded +
assi (attr store1 < 7.738 and attr store1 > 7.638 )
     ((attr store1 < 1.397 and attr store1 > 1.337 ) and 
      (bondedto (attr store1 < 113.849722631  and attr store1 > 113.049722631 ) or 
       bondedto (attr store1 < 66.107  and attr store1 > 65.307 ) or 
       bondedto (attr store1 < 18.3642773688  and attr store1 > 17.5642773688 ))) 
6 0.1 0.1 peak 1459 volume 111.19912 ppm1 1.367 ppm2 7.688
 
! ############### C13_CNnoesy_manual.1460 folded +
assi (attr store1 < 4.527 and attr store1 > 4.427 )
     ((attr store1 < 1.398 and attr store1 > 1.338 ) and 
      (bondedto (attr store1 < 113.871722631  and attr store1 > 113.071722631 ) or 
       bondedto (attr store1 < 66.129  and attr store1 > 65.329 ) or 
       bondedto (attr store1 < 18.3862773688  and attr store1 > 17.5862773688 ))) 
6 0.1 0.1 peak 1460 volume 8.70247 ppm1 1.368 ppm2 4.477
 
! ############### C13_CNnoesy_manual.1461 folded +
assi (attr store1 < 4.231 and attr store1 > 4.131 )
     ((attr store1 < 1.397 and attr store1 > 1.337 ) and 
      (bondedto (attr store1 < 113.847722631  and attr store1 > 113.047722631 ) or 
       bondedto (attr store1 < 66.105  and attr store1 > 65.305 ) or 
       bondedto (attr store1 < 18.3622773688  and attr store1 > 17.5622773688 ))) 
6 0.1 0.1 peak 1461 volume 169.29231 ppm1 1.367 ppm2 4.181
 
! ############### C13_CNnoesy_manual.1462 folded +
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 1.395 and attr store1 > 1.335 ) and 
      (bondedto (attr store1 < 113.838722631  and attr store1 > 113.038722631 ) or 
       bondedto (attr store1 < 66.096  and attr store1 > 65.296 ) or 
       bondedto (attr store1 < 18.3532773688  and attr store1 > 17.5532773688 ))) 
6 0.1 0.1 peak 1462 volume 34.26006 ppm1 1.365 ppm2 4.838
 
! ############### C13_CNnoesy_manual.1463 folded +
assi (attr store1 < 1.69 and attr store1 > 1.59 )
     ((attr store1 < 1.396 and attr store1 > 1.336 ) and 
      (bondedto (attr store1 < 113.869722631  and attr store1 > 113.069722631 ) or 
       bondedto (attr store1 < 66.127  and attr store1 > 65.327 ) or 
       bondedto (attr store1 < 18.3842773688  and attr store1 > 17.5842773688 ))) 
6 0.1 0.1 peak 1463 volume 38.94644 ppm1 1.366 ppm2 1.640
 
! ############### C13_CNnoesy_manual.1464 folded +
assi (attr store1 < 8.739 and attr store1 > 8.639 )
     ((attr store1 < 1.066 and attr store1 > 1.006 ) and 
      (bondedto (attr store1 < 113.909722631  and attr store1 > 113.109722631 ) or 
       bondedto (attr store1 < 66.167  and attr store1 > 65.367 ) or 
       bondedto (attr store1 < 18.4242773688  and attr store1 > 17.6242773688 ))) 
6 0.1 0.1 peak 1464 volume 34.55825 ppm1 1.036 ppm2 8.689
 
! ############### C13_CNnoesy_manual.1465 folded +
assi (attr store1 < 3.526 and attr store1 > 3.426 )
     ((attr store1 < 1.067 and attr store1 > 1.007 ) and 
      (bondedto (attr store1 < 113.907722631  and attr store1 > 113.107722631 ) or 
       bondedto (attr store1 < 66.165  and attr store1 > 65.365 ) or 
       bondedto (attr store1 < 18.4222773688  and attr store1 > 17.6222773688 ))) 
6 0.1 0.1 peak 1465 volume 66.71593 ppm1 1.037 ppm2 3.476
 
! ############### C13_CNnoesy_manual.1466 folded +
assi (attr store1 < 2.939 and attr store1 > 2.839 )
     ((attr store1 < 1.066 and attr store1 > 1.006 ) and 
      (bondedto (attr store1 < 113.902722631  and attr store1 > 113.102722631 ) or 
       bondedto (attr store1 < 66.16  and attr store1 > 65.36 ) or 
       bondedto (attr store1 < 18.4172773688  and attr store1 > 17.6172773688 ))) 
6 0.1 0.1 peak 1466 volume 62.39362 ppm1 1.036 ppm2 2.889
 
! ############### C13_CNnoesy_manual.1467 folded +
assi (attr store1 < 2.46 and attr store1 > 2.36 )
     ((attr store1 < 1.066 and attr store1 > 1.006 ) and 
      (bondedto (attr store1 < 113.914722631  and attr store1 > 113.114722631 ) or 
       bondedto (attr store1 < 66.172  and attr store1 > 65.372 ) or 
       bondedto (attr store1 < 18.4292773688  and attr store1 > 17.6292773688 ))) 
6 0.1 0.1 peak 1467 volume 24.07559 ppm1 1.036 ppm2 2.410
 
! ############### C13_CNnoesy_manual.1468 folded +
assi (attr store1 < 7.75 and attr store1 > 7.65 )
     ((attr store1 < 0.789 and attr store1 > 0.729 ) and 
      (bondedto (attr store1 < 113.910722631  and attr store1 > 113.110722631 ) or 
       bondedto (attr store1 < 66.168  and attr store1 > 65.368 ) or 
       bondedto (attr store1 < 18.4252773688  and attr store1 > 17.6252773688 ))) 
6 0.1 0.1 peak 1468 volume 19.84641 ppm1 0.759 ppm2 7.700
 
! ############### C13_CNnoesy_manual.1469 folded +
assi (attr store1 < 4.892 and attr store1 > 4.792 )
     ((attr store1 < 0.786 and attr store1 > 0.726 ) and 
      (bondedto (attr store1 < 113.885722631  and attr store1 > 113.085722631 ) or 
       bondedto (attr store1 < 66.143  and attr store1 > 65.343 ) or 
       bondedto (attr store1 < 18.4002773688  and attr store1 > 17.6002773688 ))) 
6 0.1 0.1 peak 1469 volume 11.23253 ppm1 0.756 ppm2 4.842
 
! ############### C13_CNnoesy_manual.1470 folded +
assi (attr store1 < 2.642 and attr store1 > 2.542 )
     ((attr store1 < 0.789 and attr store1 > 0.729 ) and 
      (bondedto (attr store1 < 113.904722631  and attr store1 > 113.104722631 ) or 
       bondedto (attr store1 < 66.162  and attr store1 > 65.362 ) or 
       bondedto (attr store1 < 18.4192773688  and attr store1 > 17.6192773688 ))) 
6 0.1 0.1 peak 1470 volume 22.00295 ppm1 0.759 ppm2 2.592
 
! ############### C13_CNnoesy_manual.1471 folded +
assi (attr store1 < 7.56 and attr store1 > 7.46 )
     ((attr store1 < 1.399 and attr store1 > 1.339 ) and 
      (bondedto (attr store1 < 113.801722631  and attr store1 > 113.001722631 ) or 
       bondedto (attr store1 < 66.059  and attr store1 > 65.259 ) or 
       bondedto (attr store1 < 18.3162773688  and attr store1 > 17.5162773688 ))) 
6 0.1 0.1 peak 1471 volume 7.86537 ppm1 1.369 ppm2 7.510
 
! ############### C13_CNnoesy_manual.1472 folded +
assi (attr store1 < 7.079 and attr store1 > 6.979 )
     ((attr store1 < 1.398 and attr store1 > 1.338 ) and 
      (bondedto (attr store1 < 113.780722631  and attr store1 > 112.980722631 ) or 
       bondedto (attr store1 < 66.038  and attr store1 > 65.238 ) or 
       bondedto (attr store1 < 18.2952773688  and attr store1 > 17.4952773688 ))) 
6 0.1 0.1 peak 1472 volume 10.42416 ppm1 1.368 ppm2 7.029
 
! ############### C13_CNnoesy_manual.1473 folded +
assi (attr store1 < 4.006 and attr store1 > 3.906 )
     ((attr store1 < 1.399 and attr store1 > 1.339 ) and 
      (bondedto (attr store1 < 113.808722631  and attr store1 > 113.008722631 ) or 
       bondedto (attr store1 < 66.066  and attr store1 > 65.266 ) or 
       bondedto (attr store1 < 18.3232773688  and attr store1 > 17.5232773688 ))) 
6 0.1 0.1 peak 1473 volume 67.13847 ppm1 1.369 ppm2 3.956
 
! ############### C13_CNnoesy_manual.1474 folded +
assi (attr store1 < 1.583 and attr store1 > 1.483 )
     ((attr store1 < 1.399 and attr store1 > 1.339 ) and 
      (bondedto (attr store1 < 113.754722631  and attr store1 > 112.954722631 ) or 
       bondedto (attr store1 < 66.012  and attr store1 > 65.212 ) or 
       bondedto (attr store1 < 18.2692773688  and attr store1 > 17.4692773688 ))) 
6 0.1 0.1 peak 1474 volume 88.46592 ppm1 1.369 ppm2 1.533
 
! ############### C13_CNnoesy_manual.1475 folded +
assi (attr store1 < 1.42 and attr store1 > 1.32 )
     ((attr store1 < 1.401 and attr store1 > 1.341 ) and 
      (bondedto (attr store1 < 113.769722631  and attr store1 > 112.969722631 ) or 
       bondedto (attr store1 < 66.027  and attr store1 > 65.227 ) or 
       bondedto (attr store1 < 18.2842773688  and attr store1 > 17.4842773688 ))) 
6 0.1 0.1 peak 1475 volume 4190.61865 ppm1 1.371 ppm2 1.370
 
! ############### C13_CNnoesy_manual.1476 folded +
assi (attr store1 < 1.253 and attr store1 > 1.153 )
     ((attr store1 < 1.397 and attr store1 > 1.337 ) and 
      (bondedto (attr store1 < 113.788722631  and attr store1 > 112.988722631 ) or 
       bondedto (attr store1 < 66.046  and attr store1 > 65.246 ) or 
       bondedto (attr store1 < 18.3032773688  and attr store1 > 17.5032773688 ))) 
6 0.1 0.1 peak 1476 volume 80.30231 ppm1 1.367 ppm2 1.203
 
! ############### C13_CNnoesy_manual.1477 folded +
assi (attr store1 < 1.142 and attr store1 > 1.042 )
     ((attr store1 < 1.397 and attr store1 > 1.337 ) and 
      (bondedto (attr store1 < 113.781722631  and attr store1 > 112.981722631 ) or 
       bondedto (attr store1 < 66.039  and attr store1 > 65.239 ) or 
       bondedto (attr store1 < 18.2962773688  and attr store1 > 17.4962773688 ))) 
6 0.1 0.1 peak 1477 volume 49.27270 ppm1 1.367 ppm2 1.092
 
! ############### C13_CNnoesy_manual.1478 folded +
assi (attr store1 < 1.428 and attr store1 > 1.328 )
     ((attr store1 < 1.177 and attr store1 > 1.117 ) and 
      (bondedto (attr store1 < 113.765722631  and attr store1 > 112.965722631 ) or 
       bondedto (attr store1 < 66.023  and attr store1 > 65.223 ) or 
       bondedto (attr store1 < 18.2802773688  and attr store1 > 17.4802773688 ))) 
6 0.1 0.1 peak 1478 volume 18.53950 ppm1 1.147 ppm2 1.378
 
! ############### C13_CNnoesy_manual.1479 folded +
assi (attr store1 < 1.418 and attr store1 > 1.318 )
     ((attr store1 < 1.134 and attr store1 > 1.074 ) and 
      (bondedto (attr store1 < 113.795722631  and attr store1 > 112.995722631 ) or 
       bondedto (attr store1 < 66.053  and attr store1 > 65.253 ) or 
       bondedto (attr store1 < 18.3102773688  and attr store1 > 17.5102773688 ))) 
6 0.1 0.1 peak 1479 volume 17.77737 ppm1 1.104 ppm2 1.368
 
! ############### C13_CNnoesy_manual.1480 folded +
assi (attr store1 < 2.315 and attr store1 > 2.215 )
     ((attr store1 < 1.405 and attr store1 > 1.345 ) and 
      (bondedto (attr store1 < 113.654722631  and attr store1 > 112.854722631 ) or 
       bondedto (attr store1 < 65.912  and attr store1 > 65.112 ) or 
       bondedto (attr store1 < 18.1692773688  and attr store1 > 17.3692773688 ))) 
6 0.1 0.1 peak 1480 volume 18.28116 ppm1 1.375 ppm2 2.265
 
! ############### C13_CNnoesy_manual.1481 folded +
assi (attr store1 < 2.015 and attr store1 > 1.915 )
     ((attr store1 < 1.403 and attr store1 > 1.343 ) and 
      (bondedto (attr store1 < 113.686722631  and attr store1 > 112.886722631 ) or 
       bondedto (attr store1 < 65.944  and attr store1 > 65.144 ) or 
       bondedto (attr store1 < 18.2012773688  and attr store1 > 17.4012773688 ))) 
6 0.1 0.1 peak 1481 volume 25.71787 ppm1 1.373 ppm2 1.965
 
! ############### C13_CNnoesy_manual.1482 folded -
assi (attr store1 < 2.863 and attr store1 > 2.763 )
     ((attr store1 < 2.844 and attr store1 > 2.784 ) and 
      (bondedto (attr store1 < 137.532083947  and attr store1 > 136.732083947 ) or 
       bondedto (attr store1 < 42.0466386844  and attr store1 > 41.2466386844 ))) 
6 0.1 0.1 peak 1482 volume 10348.65332 ppm1 2.814 ppm2 2.813
 
! ############### C13_CNnoesy_manual.1483 folded -
assi (attr store1 < 7.363 and attr store1 > 7.263 )
     ((attr store1 < 1.817 and attr store1 > 1.757 ) and 
      (bondedto (attr store1 < 137.520083947  and attr store1 > 136.720083947 ) or 
       bondedto (attr store1 < 42.0346386844  and attr store1 > 41.2346386844 ))) 
6 0.1 0.1 peak 1483 volume 27.27422 ppm1 1.787 ppm2 7.313
 
! ############### C13_CNnoesy_manual.1484 folded -
assi (attr store1 < 6.786 and attr store1 > 6.686 )
     ((attr store1 < 1.82 and attr store1 > 1.76 ) and 
      (bondedto (attr store1 < 137.511083947  and attr store1 > 136.711083947 ) or 
       bondedto (attr store1 < 42.0256386844  and attr store1 > 41.2256386844 ))) 
6 0.1 0.1 peak 1484 volume 9.47227 ppm1 1.790 ppm2 6.736
 
! ############### C13_CNnoesy_manual.1485 folded -
assi (attr store1 < 4.133 and attr store1 > 4.033 )
     ((attr store1 < 1.557 and attr store1 > 1.497 ) and 
      (bondedto (attr store1 < 137.530083947  and attr store1 > 136.730083947 ) or 
       bondedto (attr store1 < 42.0446386844  and attr store1 > 41.2446386844 ))) 
6 0.1 0.1 peak 1485 volume 6.82064 ppm1 1.527 ppm2 4.083
 
! ############### C13_CNnoesy_manual.1486 folded -
assi (attr store1 < 8.592 and attr store1 > 8.492 )
     ((attr store1 < 1.223 and attr store1 > 1.163 ) and 
      (bondedto (attr store1 < 137.509083947  and attr store1 > 136.709083947 ) or 
       bondedto (attr store1 < 42.0236386844  and attr store1 > 41.2236386844 ))) 
6 0.1 0.1 peak 1486 volume 10.93536 ppm1 1.193 ppm2 8.542
 
! ############### C13_CNnoesy_manual.1487 folded -
assi (attr store1 < 7.361 and attr store1 > 7.261 )
     ((attr store1 < 1.225 and attr store1 > 1.165 ) and 
      (bondedto (attr store1 < 137.524083947  and attr store1 > 136.724083947 ) or 
       bondedto (attr store1 < 42.0386386844  and attr store1 > 41.2386386844 ))) 
6 0.1 0.1 peak 1487 volume 17.927 ppm1 1.195 ppm2 7.311
 
! ############### C13_CNnoesy_manual.1488 folded -
assi (attr store1 < 4.247 and attr store1 > 4.147 )
     ((attr store1 < 1.222 and attr store1 > 1.162 ) and 
      (bondedto (attr store1 < 137.518083947  and attr store1 > 136.718083947 ) or 
       bondedto (attr store1 < 42.0326386844  and attr store1 > 41.2326386844 ))) 
6 0.1 0.1 peak 1488 volume 9.01901 ppm1 1.192 ppm2 4.197
 
! ############### C13_CNnoesy_manual.1489 folded -
assi (attr store1 < 4.005 and attr store1 > 3.905 )
     ((attr store1 < 1.223 and attr store1 > 1.163 ) and 
      (bondedto (attr store1 < 137.507083947  and attr store1 > 136.707083947 ) or 
       bondedto (attr store1 < 42.0216386844  and attr store1 > 41.2216386844 ))) 
6 0.1 0.1 peak 1489 volume 26.90008 ppm1 1.193 ppm2 3.955
 
! ############### C13_CNnoesy_manual.1490 folded -
assi (attr store1 < 0.937 and attr store1 > 0.837 )
     ((attr store1 < 1.223 and attr store1 > 1.163 ) and 
      (bondedto (attr store1 < 137.510083947  and attr store1 > 136.710083947 ) or 
       bondedto (attr store1 < 42.0246386844  and attr store1 > 41.2246386844 ))) 
6 0.1 0.1 peak 1490 volume 29.48872 ppm1 1.193 ppm2 0.887
 
! ############### C13_CNnoesy_manual.1491 folded -
assi (attr store1 < 2.862 and attr store1 > 2.762 )
     ((attr store1 < 1.198 and attr store1 > 1.138 ) and 
      (bondedto (attr store1 < 137.530083947  and attr store1 > 136.730083947 ) or 
       bondedto (attr store1 < 42.0446386844  and attr store1 > 41.2446386844 ))) 
6 0.1 0.1 peak 1491 volume 48.77054 ppm1 1.168 ppm2 2.812
 
! ############### C13_CNnoesy_manual.1492 folded +
assi (attr store1 < 2.861 and attr store1 > 2.761 )
     ((attr store1 < 1.165 and attr store1 > 1.105 ) and 
      (bondedto (attr store1 < 113.620722631  and attr store1 > 112.820722631 ) or 
       bondedto (attr store1 < 65.878  and attr store1 > 65.078 ) or 
       bondedto (attr store1 < 18.1352773688  and attr store1 > 17.3352773688 ))) 
6 0.1 0.1 peak 1492 volume 10.45508 ppm1 1.135 ppm2 2.811
 
! ############### C13_CNnoesy_manual.1493 folded +
assi (attr store1 < 4.886 and attr store1 > 4.786 )
     ((attr store1 < 1.001 and attr store1 > 0.941 ) and 
      (bondedto (attr store1 < 113.625722631  and attr store1 > 112.825722631 ) or 
       bondedto (attr store1 < 65.883  and attr store1 > 65.083 ) or 
       bondedto (attr store1 < 18.1402773688  and attr store1 > 17.3402773688 ))) 
6 0.1 0.1 peak 1493 volume 23.24052 ppm1 0.971 ppm2 4.836
 
! ############### C13_CNnoesy_manual.1494 folded +
assi (attr store1 < 1.019 and attr store1 > 0.919 )
     ((attr store1 < 1.002 and attr store1 > 0.942 ) and 
      (bondedto (attr store1 < 113.598722631  and attr store1 > 112.798722631 ) or 
       bondedto (attr store1 < 65.856  and attr store1 > 65.056 ) or 
       bondedto (attr store1 < 18.1132773688  and attr store1 > 17.3132773688 ))) 
6 0.1 0.1 peak 1494 volume 1678.44189 ppm1 0.972 ppm2 0.969
 
! ############### C13_CNnoesy_manual.1495 folded +
assi (attr store1 < 1.991 and attr store1 > 1.891 )
     ((attr store1 < 0.989 and attr store1 > 0.929 ) and 
      (bondedto (attr store1 < 113.611722631  and attr store1 > 112.811722631 ) or 
       bondedto (attr store1 < 65.869  and attr store1 > 65.069 ) or 
       bondedto (attr store1 < 18.1262773688  and attr store1 > 17.3262773688 ))) 
6 0.1 0.1 peak 1495 volume 17.34129 ppm1 0.959 ppm2 1.941
 
! ############### C13_CNnoesy_manual.1496 folded -
assi (attr store1 < 8.59 and attr store1 > 8.49 )
     ((attr store1 < 1.815 and attr store1 > 1.755 ) and 
      (bondedto (attr store1 < 137.483083947  and attr store1 > 136.683083947 ) or 
       bondedto (attr store1 < 41.9976386844  and attr store1 > 41.1976386844 ))) 
6 0.1 0.1 peak 1496 volume 13.95931 ppm1 1.785 ppm2 8.540
 
! ############### C13_CNnoesy_manual.1497 folded -
assi (attr store1 < 4.004 and attr store1 > 3.904 )
     ((attr store1 < 1.816 and attr store1 > 1.756 ) and 
      (bondedto (attr store1 < 137.491083947  and attr store1 > 136.691083947 ) or 
       bondedto (attr store1 < 42.0056386844  and attr store1 > 41.2056386844 ))) 
6 0.1 0.1 peak 1497 volume 21.99043 ppm1 1.786 ppm2 3.954
 
! ############### C13_CNnoesy_manual.1498 folded -
assi (attr store1 < 1.243 and attr store1 > 1.143 )
     ((attr store1 < 1.816 and attr store1 > 1.756 ) and 
      (bondedto (attr store1 < 137.504083947  and attr store1 > 136.704083947 ) or 
       bondedto (attr store1 < 42.0186386844  and attr store1 > 41.2186386844 ))) 
6 0.1 0.1 peak 1498 volume 124.31797 ppm1 1.786 ppm2 1.193
 
! ############### C13_CNnoesy_manual.1499 folded -
assi (attr store1 < 6.784 and attr store1 > 6.684 )
     ((attr store1 < 1.22 and attr store1 > 1.16 ) and 
      (bondedto (attr store1 < 137.475083947  and attr store1 > 136.675083947 ) or 
       bondedto (attr store1 < 41.9896386844  and attr store1 > 41.1896386844 ))) 
6 0.1 0.1 peak 1499 volume 10.80002 ppm1 1.190 ppm2 6.734
 
! ############### C13_CNnoesy_manual.1500 folded -
assi (attr store1 < 1.836 and attr store1 > 1.736 )
     ((attr store1 < 1.223 and attr store1 > 1.163 ) and 
      (bondedto (attr store1 < 137.503083947  and attr store1 > 136.703083947 ) or 
       bondedto (attr store1 < 42.0176386844  and attr store1 > 41.2176386844 ))) 
6 0.1 0.1 peak 1500 volume 139.14072 ppm1 1.193 ppm2 1.786
 
! ############### C13_CNnoesy_manual.1501 folded -
assi (attr store1 < 1.242 and attr store1 > 1.142 )
     ((attr store1 < 1.222 and attr store1 > 1.162 ) and 
      (bondedto (attr store1 < 137.505083947  and attr store1 > 136.705083947 ) or 
       bondedto (attr store1 < 42.0196386844  and attr store1 > 41.2196386844 ))) 
6 0.1 0.1 peak 1501 volume 165.23656 ppm1 1.192 ppm2 1.192
 
! ############### C13_CNnoesy_manual.1502 folded -
assi (attr store1 < 1.053 and attr store1 > 0.953 )
     ((attr store1 < 1.225 and attr store1 > 1.165 ) and 
      (bondedto (attr store1 < 137.474083947  and attr store1 > 136.674083947 ) or 
       bondedto (attr store1 < 41.9886386844  and attr store1 > 41.1886386844 ))) 
6 0.1 0.1 peak 1502 volume 34.94633 ppm1 1.195 ppm2 1.003
 
! ############### C13_CNnoesy_manual.1503 folded +
assi (attr store1 < 8.362 and attr store1 > 8.262 )
     ((attr store1 < 4.012 and attr store1 > 3.952 ) and 
      (bondedto (attr store1 < 113.524722631  and attr store1 > 112.724722631 ) or 
       bondedto (attr store1 < 65.782  and attr store1 > 64.982 ) or 
       bondedto (attr store1 < 18.0392773688  and attr store1 > 17.2392773688 ))) 
6 0.1 0.1 peak 1503 volume 18.58943 ppm1 3.982 ppm2 8.312
 
! ############### C13_CNnoesy_manual.1504 folded +
assi (attr store1 < 7.848 and attr store1 > 7.748 )
     ((attr store1 < 4.01 and attr store1 > 3.95 ) and 
      (bondedto (attr store1 < 113.539722631  and attr store1 > 112.739722631 ) or 
       bondedto (attr store1 < 65.797  and attr store1 > 64.997 ) or 
       bondedto (attr store1 < 18.0542773688  and attr store1 > 17.2542773688 ))) 
6 0.1 0.1 peak 1504 volume 9.64954 ppm1 3.980 ppm2 7.798
 
! ############### C13_CNnoesy_manual.1505 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 4.007 and attr store1 > 3.947 ) and 
      (bondedto (attr store1 < 113.486722631  and attr store1 > 112.686722631 ) or 
       bondedto (attr store1 < 65.744  and attr store1 > 64.944 ) or 
       bondedto (attr store1 < 18.0012773688  and attr store1 > 17.2012773688 ))) 
6 0.1 0.1 peak 1505 volume 11.87100 ppm1 3.977 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1506 folded +
assi (attr store1 < 4.029 and attr store1 > 3.929 )
     ((attr store1 < 4.011 and attr store1 > 3.951 ) and 
      (bondedto (attr store1 < 113.520722631  and attr store1 > 112.720722631 ) or 
       bondedto (attr store1 < 65.778  and attr store1 > 64.978 ) or 
       bondedto (attr store1 < 18.0352773688  and attr store1 > 17.2352773688 ))) 
6 0.1 0.1 peak 1506 volume 848.29028 ppm1 3.981 ppm2 3.979
 
! ############### C13_CNnoesy_manual.1507 folded +
assi (attr store1 < 2.348 and attr store1 > 2.248 )
     ((attr store1 < 4.012 and attr store1 > 3.952 ) and 
      (bondedto (attr store1 < 113.519722631  and attr store1 > 112.719722631 ) or 
       bondedto (attr store1 < 65.777  and attr store1 > 64.977 ) or 
       bondedto (attr store1 < 18.0342773688  and attr store1 > 17.2342773688 ))) 
6 0.1 0.1 peak 1507 volume 45.94125 ppm1 3.982 ppm2 2.298
 
! ############### C13_CNnoesy_manual.1508 folded +
assi (attr store1 < 1.15 and attr store1 > 1.05 )
     ((attr store1 < 4.013 and attr store1 > 3.953 ) and 
      (bondedto (attr store1 < 113.517722631  and attr store1 > 112.717722631 ) or 
       bondedto (attr store1 < 65.775  and attr store1 > 64.975 ) or 
       bondedto (attr store1 < 18.0322773688  and attr store1 > 17.2322773688 ))) 
6 0.1 0.1 peak 1508 volume 90.16852 ppm1 3.983 ppm2 1.100
 
! ############### C13_CNnoesy_manual.1509 folded +
assi (attr store1 < 1.436 and attr store1 > 1.336 )
     ((attr store1 < 3.846 and attr store1 > 3.786 ) and 
      (bondedto (attr store1 < 113.487722631  and attr store1 > 112.687722631 ) or 
       bondedto (attr store1 < 65.745  and attr store1 > 64.945 ) or 
       bondedto (attr store1 < 18.0022773688  and attr store1 > 17.2022773688 ))) 
6 0.1 0.1 peak 1509 volume 24.45499 ppm1 3.816 ppm2 1.386
 
! ############### C13_CNnoesy_manual.1510 folded +
assi (attr store1 < 8.202 and attr store1 > 8.102 )
     ((attr store1 < 1.414 and attr store1 > 1.354 ) and 
      (bondedto (attr store1 < 113.516722631  and attr store1 > 112.716722631 ) or 
       bondedto (attr store1 < 65.774  and attr store1 > 64.974 ) or 
       bondedto (attr store1 < 18.0312773688  and attr store1 > 17.2312773688 ))) 
6 0.1 0.1 peak 1510 volume 89.08898 ppm1 1.384 ppm2 8.152
 
! ############### C13_CNnoesy_manual.1511 folded +
assi (attr store1 < 7.898 and attr store1 > 7.798 )
     ((attr store1 < 1.413 and attr store1 > 1.353 ) and 
      (bondedto (attr store1 < 113.529722631  and attr store1 > 112.729722631 ) or 
       bondedto (attr store1 < 65.787  and attr store1 > 64.987 ) or 
       bondedto (attr store1 < 18.0442773688  and attr store1 > 17.2442773688 ))) 
6 0.1 0.1 peak 1511 volume 37.52832 ppm1 1.383 ppm2 7.848
 
! ############### C13_CNnoesy_manual.1512 folded +
assi (attr store1 < 4.08 and attr store1 > 3.98 )
     ((attr store1 < 1.414 and attr store1 > 1.354 ) and 
      (bondedto (attr store1 < 113.540722631  and attr store1 > 112.740722631 ) or 
       bondedto (attr store1 < 65.798  and attr store1 > 64.998 ) or 
       bondedto (attr store1 < 18.0552773688  and attr store1 > 17.2552773688 ))) 
6 0.1 0.1 peak 1512 volume 52.60226 ppm1 1.384 ppm2 4.030
 
! ############### C13_CNnoesy_manual.1513 folded +
assi (attr store1 < 3.873 and attr store1 > 3.773 )
     ((attr store1 < 1.414 and attr store1 > 1.354 ) and 
      (bondedto (attr store1 < 113.499722631  and attr store1 > 112.699722631 ) or 
       bondedto (attr store1 < 65.757  and attr store1 > 64.957 ) or 
       bondedto (attr store1 < 18.0142773688  and attr store1 > 17.2142773688 ))) 
6 0.1 0.1 peak 1513 volume 149.71414 ppm1 1.384 ppm2 3.823
 
! ############### C13_CNnoesy_manual.1514 folded +
assi (attr store1 < 2.154 and attr store1 > 2.054 )
     ((attr store1 < 1.415 and attr store1 > 1.355 ) and 
      (bondedto (attr store1 < 113.499722631  and attr store1 > 112.699722631 ) or 
       bondedto (attr store1 < 65.757  and attr store1 > 64.957 ) or 
       bondedto (attr store1 < 18.0142773688  and attr store1 > 17.2142773688 ))) 
6 0.1 0.1 peak 1514 volume 23.13962 ppm1 1.385 ppm2 2.104
 
! ############### C13_CNnoesy_manual.1515 folded +
assi (attr store1 < 0.924 and attr store1 > 0.824 )
     ((attr store1 < 1.414 and attr store1 > 1.354 ) and 
      (bondedto (attr store1 < 113.516722631  and attr store1 > 112.716722631 ) or 
       bondedto (attr store1 < 65.774  and attr store1 > 64.974 ) or 
       bondedto (attr store1 < 18.0312773688  and attr store1 > 17.2312773688 ))) 
6 0.1 0.1 peak 1515 volume 169.38947 ppm1 1.384 ppm2 0.874
 
! ############### C13_CNnoesy_manual.1516 folded +
assi (attr store1 < 0.137 and attr store1 > 0.037 )
     ((attr store1 < 1.416 and attr store1 > 1.356 ) and 
      (bondedto (attr store1 < 113.499722631  and attr store1 > 112.699722631 ) or 
       bondedto (attr store1 < 65.757  and attr store1 > 64.957 ) or 
       bondedto (attr store1 < 18.0142773688  and attr store1 > 17.2142773688 ))) 
6 0.1 0.1 peak 1516 volume 19.11931 ppm1 1.386 ppm2 0.087
 
! ############### C13_CNnoesy_manual.1517 folded -
assi (attr store1 < 4.716 and attr store1 > 4.616 )
     ((attr store1 < 2.749 and attr store1 > 2.689 ) and 
      (bondedto (attr store1 < 137.228083947  and attr store1 > 136.428083947 ) or 
       bondedto (attr store1 < 41.7426386844  and attr store1 > 40.9426386844 ))) 
6 0.1 0.1 peak 1517 volume 8.24207 ppm1 2.719 ppm2 4.666
 
! ############### C13_CNnoesy_manual.1518 folded +
assi (attr store1 < 8.519 and attr store1 > 8.419 )
     ((attr store1 < 3.848 and attr store1 > 3.788 ) and 
      (bondedto (attr store1 < 113.164722631  and attr store1 > 112.364722631 ) or 
       bondedto (attr store1 < 65.422  and attr store1 > 64.622 ) or 
       bondedto (attr store1 < 17.6792773688  and attr store1 > 16.8792773688 ))) 
6 0.1 0.1 peak 1518 volume 10.97608 ppm1 3.818 ppm2 8.469
 
! ############### C13_CNnoesy_manual.1519 folded +
assi (attr store1 < 8.224 and attr store1 > 8.124 )
     ((attr store1 < 3.849 and attr store1 > 3.789 ) and 
      (bondedto (attr store1 < 113.137722631  and attr store1 > 112.337722631 ) or 
       bondedto (attr store1 < 65.395  and attr store1 > 64.595 ) or 
       bondedto (attr store1 < 17.6522773688  and attr store1 > 16.8522773688 ))) 
6 0.1 0.1 peak 1519 volume 34.39304 ppm1 3.819 ppm2 8.174
 
! ############### C13_CNnoesy_manual.1520 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 3.846 and attr store1 > 3.786 ) and 
      (bondedto (attr store1 < 113.138722631  and attr store1 > 112.338722631 ) or 
       bondedto (attr store1 < 65.396  and attr store1 > 64.596 ) or 
       bondedto (attr store1 < 17.6532773688  and attr store1 > 16.8532773688 ))) 
6 0.1 0.1 peak 1520 volume 13.21193 ppm1 3.816 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1521 folded +
assi (attr store1 < 4.188 and attr store1 > 4.088 )
     ((attr store1 < 3.848 and attr store1 > 3.788 ) and 
      (bondedto (attr store1 < 113.133722631  and attr store1 > 112.333722631 ) or 
       bondedto (attr store1 < 65.391  and attr store1 > 64.591 ) or 
       bondedto (attr store1 < 17.6482773688  and attr store1 > 16.8482773688 ))) 
6 0.1 0.1 peak 1521 volume 23.02120 ppm1 3.818 ppm2 4.138
 
! ############### C13_CNnoesy_manual.1522 folded +
assi (attr store1 < 3.869 and attr store1 > 3.769 )
     ((attr store1 < 3.848 and attr store1 > 3.788 ) and 
      (bondedto (attr store1 < 113.131722631  and attr store1 > 112.331722631 ) or 
       bondedto (attr store1 < 65.389  and attr store1 > 64.589 ) or 
       bondedto (attr store1 < 17.6462773688  and attr store1 > 16.8462773688 ))) 
6 0.1 0.1 peak 1522 volume 624.43787 ppm1 3.818 ppm2 3.819
 
! ############### C13_CNnoesy_manual.1523 folded +
assi (attr store1 < 2.246 and attr store1 > 2.146 )
     ((attr store1 < 3.849 and attr store1 > 3.789 ) and 
      (bondedto (attr store1 < 113.149722631  and attr store1 > 112.349722631 ) or 
       bondedto (attr store1 < 65.407  and attr store1 > 64.607 ) or 
       bondedto (attr store1 < 17.6642773688  and attr store1 > 16.8642773688 ))) 
6 0.1 0.1 peak 1523 volume 35.41082 ppm1 3.819 ppm2 2.196
 
! ############### C13_CNnoesy_manual.1524 folded +
assi (attr store1 < 1.965 and attr store1 > 1.865 )
     ((attr store1 < 3.848 and attr store1 > 3.788 ) and 
      (bondedto (attr store1 < 113.118722631  and attr store1 > 112.318722631 ) or 
       bondedto (attr store1 < 65.376  and attr store1 > 64.576 ) or 
       bondedto (attr store1 < 17.6332773688  and attr store1 > 16.8332773688 ))) 
6 0.1 0.1 peak 1524 volume 47.72829 ppm1 3.818 ppm2 1.915
 
! ############### C13_CNnoesy_manual.1525 folded +
assi (attr store1 < 1.262 and attr store1 > 1.162 )
     ((attr store1 < 3.848 and attr store1 > 3.788 ) and 
      (bondedto (attr store1 < 113.136722631  and attr store1 > 112.336722631 ) or 
       bondedto (attr store1 < 65.394  and attr store1 > 64.594 ) or 
       bondedto (attr store1 < 17.6512773688  and attr store1 > 16.8512773688 ))) 
6 0.1 0.1 peak 1525 volume 54.17022 ppm1 3.818 ppm2 1.212
 
! ############### C13_CNnoesy_manual.1526 folded +
assi (attr store1 < 1.097 and attr store1 > 0.997 )
     ((attr store1 < 3.848 and attr store1 > 3.788 ) and 
      (bondedto (attr store1 < 113.142722631  and attr store1 > 112.342722631 ) or 
       bondedto (attr store1 < 65.4  and attr store1 > 64.6 ) or 
       bondedto (attr store1 < 17.6572773688  and attr store1 > 16.8572773688 ))) 
6 0.1 0.1 peak 1526 volume 70.87081 ppm1 3.818 ppm2 1.047
 
! ############### C13_CNnoesy_manual.1527 folded +
assi (attr store1 < 0.937 and attr store1 > 0.837 )
     ((attr store1 < 3.847 and attr store1 > 3.787 ) and 
      (bondedto (attr store1 < 113.132722631  and attr store1 > 112.332722631 ) or 
       bondedto (attr store1 < 65.39  and attr store1 > 64.59 ) or 
       bondedto (attr store1 < 17.6472773688  and attr store1 > 16.8472773688 ))) 
6 0.1 0.1 peak 1527 volume 29.22754 ppm1 3.817 ppm2 0.887
 
! ############### C13_CNnoesy_manual.1528 folded +
assi (attr store1 < 3.871 and attr store1 > 3.771 )
     ((attr store1 < 2.217 and attr store1 > 2.157 ) and 
      (bondedto (attr store1 < 113.117722631  and attr store1 > 112.317722631 ) or 
       bondedto (attr store1 < 65.375  and attr store1 > 64.575 ) or 
       bondedto (attr store1 < 17.6322773688  and attr store1 > 16.8322773688 ))) 
6 0.1 0.1 peak 1528 volume 19.87552 ppm1 2.187 ppm2 3.821
 
! ############### C13_CNnoesy_manual.1529 folded +
assi (attr store1 < 2.228 and attr store1 > 2.128 )
     ((attr store1 < 2.21 and attr store1 > 2.15 ) and 
      (bondedto (attr store1 < 113.093722631  and attr store1 > 112.293722631 ) or 
       bondedto (attr store1 < 65.351  and attr store1 > 64.551 ) or 
       bondedto (attr store1 < 17.6082773688  and attr store1 > 16.8082773688 ))) 
6 0.1 0.1 peak 1529 volume 237.23039 ppm1 2.180 ppm2 2.178
 
! ############### C13_CNnoesy_manual.1530 folded +
assi (attr store1 < 8.061 and attr store1 > 7.961 )
     ((attr store1 < 0.777 and attr store1 > 0.717 ) and 
      (bondedto (attr store1 < 112.924722631  and attr store1 > 112.124722631 ) or 
       bondedto (attr store1 < 65.182  and attr store1 > 64.382 ) or 
       bondedto (attr store1 < 17.4392773688  and attr store1 > 16.6392773688 ))) 
6 0.1 0.1 peak 1530 volume 5.69874 ppm1 0.747 ppm2 8.011
 
! ############### C13_CNnoesy_manual.1531 folded +
assi (attr store1 < 7.286 and attr store1 > 7.186 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 112.922722631  and attr store1 > 112.122722631 ) or 
       bondedto (attr store1 < 65.18  and attr store1 > 64.38 ) or 
       bondedto (attr store1 < 17.4372773688  and attr store1 > 16.6372773688 ))) 
6 0.1 0.1 peak 1531 volume 18.86987 ppm1 0.746 ppm2 7.236
 
! ############### C13_CNnoesy_manual.1532 folded +
assi (attr store1 < 4.386 and attr store1 > 4.286 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 112.896722631  and attr store1 > 112.096722631 ) or 
       bondedto (attr store1 < 65.154  and attr store1 > 64.354 ) or 
       bondedto (attr store1 < 17.4112773688  and attr store1 > 16.6112773688 ))) 
6 0.1 0.1 peak 1532 volume 32.00233 ppm1 0.746 ppm2 4.336
 
! ############### C13_CNnoesy_manual.1533 folded +
assi (attr store1 < 2.352 and attr store1 > 2.252 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 112.896722631  and attr store1 > 112.096722631 ) or 
       bondedto (attr store1 < 65.154  and attr store1 > 64.354 ) or 
       bondedto (attr store1 < 17.4112773688  and attr store1 > 16.6112773688 ))) 
6 0.1 0.1 peak 1533 volume 20.46310 ppm1 0.746 ppm2 2.302
 
! ############### C13_CNnoesy_manual.1534 folded +
assi (attr store1 < 1.754 and attr store1 > 1.654 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 112.897722631  and attr store1 > 112.097722631 ) or 
       bondedto (attr store1 < 65.155  and attr store1 > 64.355 ) or 
       bondedto (attr store1 < 17.4122773688  and attr store1 > 16.6122773688 ))) 
6 0.1 0.1 peak 1534 volume 96.37828 ppm1 0.746 ppm2 1.704
 
! ############### C13_CNnoesy_manual.1535 folded +
assi (attr store1 < 1.625 and attr store1 > 1.525 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 112.889722631  and attr store1 > 112.089722631 ) or 
       bondedto (attr store1 < 65.147  and attr store1 > 64.347 ) or 
       bondedto (attr store1 < 17.4042773688  and attr store1 > 16.6042773688 ))) 
6 0.1 0.1 peak 1535 volume 133.71794 ppm1 0.746 ppm2 1.575
 
! ############### C13_CNnoesy_manual.1536 folded -
assi (attr store1 < 7.384 and attr store1 > 7.284 )
     ((attr store1 < 3.047 and attr store1 > 2.987 ) and 
      (bondedto (attr store1 < 136.775083947  and attr store1 > 135.975083947 ) or 
       bondedto (attr store1 < 41.2896386844  and attr store1 > 40.4896386844 ))) 
6 0.1 0.1 peak 1536 volume 6.58919 ppm1 3.017 ppm2 7.334
 
! ############### C13_CNnoesy_manual.1537 folded +
assi (attr store1 < 8.46 and attr store1 > 8.36 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 112.830722631  and attr store1 > 112.030722631 ) or 
       bondedto (attr store1 < 65.088  and attr store1 > 64.288 ) or 
       bondedto (attr store1 < 17.3452773688  and attr store1 > 16.5452773688 ))) 
6 0.1 0.1 peak 1537 volume 6.13194 ppm1 0.746 ppm2 8.410
 
! ############### C13_CNnoesy_manual.1538 folded +
assi (attr store1 < 7.739 and attr store1 > 7.639 )
     ((attr store1 < 0.775 and attr store1 > 0.715 ) and 
      (bondedto (attr store1 < 112.874722631  and attr store1 > 112.074722631 ) or 
       bondedto (attr store1 < 65.132  and attr store1 > 64.332 ) or 
       bondedto (attr store1 < 17.3892773688  and attr store1 > 16.5892773688 ))) 
6 0.1 0.1 peak 1538 volume 22.34875 ppm1 0.745 ppm2 7.689
 
! ############### C13_CNnoesy_manual.1539 folded +
assi (attr store1 < 4.153 and attr store1 > 4.053 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 112.886722631  and attr store1 > 112.086722631 ) or 
       bondedto (attr store1 < 65.144  and attr store1 > 64.344 ) or 
       bondedto (attr store1 < 17.4012773688  and attr store1 > 16.6012773688 ))) 
6 0.1 0.1 peak 1539 volume 72.79756 ppm1 0.746 ppm2 4.103
 
! ############### C13_CNnoesy_manual.1540 folded +
assi (attr store1 < 3.856 and attr store1 > 3.756 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 112.885722631  and attr store1 > 112.085722631 ) or 
       bondedto (attr store1 < 65.143  and attr store1 > 64.343 ) or 
       bondedto (attr store1 < 17.4002773688  and attr store1 > 16.6002773688 ))) 
6 0.1 0.1 peak 1540 volume 51.32240 ppm1 0.746 ppm2 3.806
 
! ############### C13_CNnoesy_manual.1541 folded +
assi (attr store1 < 3.688 and attr store1 > 3.588 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 112.882722631  and attr store1 > 112.082722631 ) or 
       bondedto (attr store1 < 65.14  and attr store1 > 64.34 ) or 
       bondedto (attr store1 < 17.3972773688  and attr store1 > 16.5972773688 ))) 
6 0.1 0.1 peak 1541 volume 9.84629 ppm1 0.746 ppm2 3.638
 
! ############### C13_CNnoesy_manual.1542 folded +
assi (attr store1 < 2.064 and attr store1 > 1.964 )
     ((attr store1 < 0.778 and attr store1 > 0.718 ) and 
      (bondedto (attr store1 < 112.855722631  and attr store1 > 112.055722631 ) or 
       bondedto (attr store1 < 65.113  and attr store1 > 64.313 ) or 
       bondedto (attr store1 < 17.3702773688  and attr store1 > 16.5702773688 ))) 
6 0.1 0.1 peak 1542 volume 7.76993 ppm1 0.748 ppm2 2.014
 
! ############### C13_CNnoesy_manual.1543 folded +
assi (attr store1 < 1.405 and attr store1 > 1.305 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 112.886722631  and attr store1 > 112.086722631 ) or 
       bondedto (attr store1 < 65.144  and attr store1 > 64.344 ) or 
       bondedto (attr store1 < 17.4012773688  and attr store1 > 16.6012773688 ))) 
6 0.1 0.1 peak 1543 volume 35.54228 ppm1 0.746 ppm2 1.355
 
! ############### C13_CNnoesy_manual.1544 folded +
assi (attr store1 < 0.952 and attr store1 > 0.852 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 112.847722631  and attr store1 > 112.047722631 ) or 
       bondedto (attr store1 < 65.105  and attr store1 > 64.305 ) or 
       bondedto (attr store1 < 17.3622773688  and attr store1 > 16.5622773688 ))) 
6 0.1 0.1 peak 1544 volume 87.19889 ppm1 0.746 ppm2 0.902
 
! ############### C13_CNnoesy_manual.1545 folded +
assi (attr store1 < 0.796 and attr store1 > 0.696 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 112.874722631  and attr store1 > 112.074722631 ) or 
       bondedto (attr store1 < 65.132  and attr store1 > 64.332 ) or 
       bondedto (attr store1 < 17.3892773688  and attr store1 > 16.5892773688 ))) 
6 0.1 0.1 peak 1545 volume 2500.91064 ppm1 0.746 ppm2 0.746
 
! ############### C13_CNnoesy_manual.1546 folded +
assi (attr store1 < 0.637 and attr store1 > 0.537 )
     ((attr store1 < 0.775 and attr store1 > 0.715 ) and 
      (bondedto (attr store1 < 112.885722631  and attr store1 > 112.085722631 ) or 
       bondedto (attr store1 < 65.143  and attr store1 > 64.343 ) or 
       bondedto (attr store1 < 17.4002773688  and attr store1 > 16.6002773688 ))) 
6 0.1 0.1 peak 1546 volume 43.85971 ppm1 0.745 ppm2 0.587
 
! ############### C13_CNnoesy_manual.1547 folded +
assi (attr store1 < 0.129 and attr store1 > 0.029 )
     ((attr store1 < 0.776 and attr store1 > 0.716 ) and 
      (bondedto (attr store1 < 112.886722631  and attr store1 > 112.086722631 ) or 
       bondedto (attr store1 < 65.144  and attr store1 > 64.344 ) or 
       bondedto (attr store1 < 17.4012773688  and attr store1 > 16.6012773688 ))) 
6 0.1 0.1 peak 1547 volume 141.78156 ppm1 0.746 ppm2 0.079
 
! ############### C13_CNnoesy_manual.1548 folded -
assi (attr store1 < 4.24 and attr store1 > 4.14 )
     ((attr store1 < 3.056 and attr store1 > 2.996 ) and 
      (bondedto (attr store1 < 136.701083947  and attr store1 > 135.901083947 ) or 
       bondedto (attr store1 < 41.2156386844  and attr store1 > 40.4156386844 ))) 
6 0.1 0.1 peak 1548 volume 6.01079 ppm1 3.026 ppm2 4.190
 
! ############### C13_CNnoesy_manual.1549 folded -
assi (attr store1 < 3.711 and attr store1 > 3.611 )
     ((attr store1 < 3.054 and attr store1 > 2.994 ) and 
      (bondedto (attr store1 < 136.719083947  and attr store1 > 135.919083947 ) or 
       bondedto (attr store1 < 41.2336386844  and attr store1 > 40.4336386844 ))) 
6 0.1 0.1 peak 1549 volume 11.83545 ppm1 3.024 ppm2 3.661
 
! ############### C13_CNnoesy_manual.1550 folded -
assi (attr store1 < 3.067 and attr store1 > 2.967 )
     ((attr store1 < 3.051 and attr store1 > 2.991 ) and 
      (bondedto (attr store1 < 136.688083947  and attr store1 > 135.888083947 ) or 
       bondedto (attr store1 < 41.2026386844  and attr store1 > 40.4026386844 ))) 
6 0.1 0.1 peak 1550 volume 1009.62817 ppm1 3.021 ppm2 3.017
 
! ############### C13_CNnoesy_manual.1551 folded -
assi (attr store1 < 1.778 and attr store1 > 1.678 )
     ((attr store1 < 3.054 and attr store1 > 2.994 ) and 
      (bondedto (attr store1 < 136.694083947  and attr store1 > 135.894083947 ) or 
       bondedto (attr store1 < 41.2086386844  and attr store1 > 40.4086386844 ))) 
6 0.1 0.1 peak 1551 volume 68.31851 ppm1 3.024 ppm2 1.728
 
! ############### C13_CNnoesy_manual.1552 folded -
assi (attr store1 < 1.509 and attr store1 > 1.409 )
     ((attr store1 < 3.053 and attr store1 > 2.993 ) and 
      (bondedto (attr store1 < 136.693083947  and attr store1 > 135.893083947 ) or 
       bondedto (attr store1 < 41.2076386844  and attr store1 > 40.4076386844 ))) 
6 0.1 0.1 peak 1552 volume 56.02534 ppm1 3.023 ppm2 1.459
 
! ############### C13_CNnoesy_manual.1553 folded -
assi (attr store1 < 0.878 and attr store1 > 0.778 )
     ((attr store1 < 3.055 and attr store1 > 2.995 ) and 
      (bondedto (attr store1 < 136.711083947  and attr store1 > 135.911083947 ) or 
       bondedto (attr store1 < 41.2256386844  and attr store1 > 40.4256386844 ))) 
6 0.1 0.1 peak 1553 volume 16.23396 ppm1 3.025 ppm2 0.828
 
! ############### C13_CNnoesy_manual.1554 folded -
assi (attr store1 < 0.352 and attr store1 > 0.252 )
     ((attr store1 < 3.059 and attr store1 > 2.999 ) and 
      (bondedto (attr store1 < 136.707083947  and attr store1 > 135.907083947 ) or 
       bondedto (attr store1 < 41.2216386844  and attr store1 > 40.4216386844 ))) 
6 0.1 0.1 peak 1554 volume 14.06895 ppm1 3.029 ppm2 0.302
 
! ############### C13_CNnoesy_manual.1555 folded -
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 3.047 and attr store1 > 2.987 ) and 
      (bondedto (attr store1 < 136.729083947  and attr store1 > 135.929083947 ) or 
       bondedto (attr store1 < 41.2436386844  and attr store1 > 40.4436386844 ))) 
6 0.1 0.1 peak 1555 volume 55.68074 ppm1 3.017 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1556 folded +
assi (attr store1 < 0.977 and attr store1 > 0.877 )
     ((attr store1 < 0.971 and attr store1 > 0.911 ) and 
      (bondedto (attr store1 < 112.734722631  and attr store1 > 111.934722631 ) or 
       bondedto (attr store1 < 64.992  and attr store1 > 64.192 ) or 
       bondedto (attr store1 < 17.2492773688  and attr store1 > 16.4492773688 ))) 
6 0.1 0.1 peak 1556 volume 163.11977 ppm1 0.941 ppm2 0.927
 
! ############### C13_CNnoesy_manual.1557 folded +
assi (attr store1 < 8.487 and attr store1 > 8.387 )
     ((attr store1 < 0.902 and attr store1 > 0.842 ) and 
      (bondedto (attr store1 < 112.749722631  and attr store1 > 111.949722631 ) or 
       bondedto (attr store1 < 65.007  and attr store1 > 64.207 ) or 
       bondedto (attr store1 < 17.2642773688  and attr store1 > 16.4642773688 ))) 
6 0.1 0.1 peak 1557 volume 26.08971 ppm1 0.872 ppm2 8.437
 
! ############### C13_CNnoesy_manual.1558 folded +
assi (attr store1 < 8.046 and attr store1 > 7.946 )
     ((attr store1 < 0.902 and attr store1 > 0.842 ) and 
      (bondedto (attr store1 < 112.739722631  and attr store1 > 111.939722631 ) or 
       bondedto (attr store1 < 64.997  and attr store1 > 64.197 ) or 
       bondedto (attr store1 < 17.2542773688  and attr store1 > 16.4542773688 ))) 
6 0.1 0.1 peak 1558 volume 21.60350 ppm1 0.872 ppm2 7.996
 
! ############### C13_CNnoesy_manual.1559 folded +
assi (attr store1 < 4.098 and attr store1 > 3.998 )
     ((attr store1 < 0.902 and attr store1 > 0.842 ) and 
      (bondedto (attr store1 < 112.750722631  and attr store1 > 111.950722631 ) or 
       bondedto (attr store1 < 65.008  and attr store1 > 64.208 ) or 
       bondedto (attr store1 < 17.2652773688  and attr store1 > 16.4652773688 ))) 
6 0.1 0.1 peak 1559 volume 21.41326 ppm1 0.872 ppm2 4.048
 
! ############### C13_CNnoesy_manual.1560 folded +
assi (attr store1 < 3.881 and attr store1 > 3.781 )
     ((attr store1 < 0.902 and attr store1 > 0.842 ) and 
      (bondedto (attr store1 < 112.737722631  and attr store1 > 111.937722631 ) or 
       bondedto (attr store1 < 64.995  and attr store1 > 64.195 ) or 
       bondedto (attr store1 < 17.2522773688  and attr store1 > 16.4522773688 ))) 
6 0.1 0.1 peak 1560 volume 21.74045 ppm1 0.872 ppm2 3.831
 
! ############### C13_CNnoesy_manual.1561 folded +
assi (attr store1 < 3.581 and attr store1 > 3.481 )
     ((attr store1 < 0.902 and attr store1 > 0.842 ) and 
      (bondedto (attr store1 < 112.735722631  and attr store1 > 111.935722631 ) or 
       bondedto (attr store1 < 64.993  and attr store1 > 64.193 ) or 
       bondedto (attr store1 < 17.2502773688  and attr store1 > 16.4502773688 ))) 
6 0.1 0.1 peak 1561 volume 58.08245 ppm1 0.872 ppm2 3.531
 
! ############### C13_CNnoesy_manual.1562 folded +
assi (attr store1 < 2.432 and attr store1 > 2.332 )
     ((attr store1 < 0.905 and attr store1 > 0.845 ) and 
      (bondedto (attr store1 < 112.736722631  and attr store1 > 111.936722631 ) or 
       bondedto (attr store1 < 64.994  and attr store1 > 64.194 ) or 
       bondedto (attr store1 < 17.2512773688  and attr store1 > 16.4512773688 ))) 
6 0.1 0.1 peak 1562 volume 7.00793 ppm1 0.875 ppm2 2.382
 
! ############### C13_CNnoesy_manual.1563 folded +
assi (attr store1 < 2.138 and attr store1 > 2.038 )
     ((attr store1 < 0.902 and attr store1 > 0.842 ) and 
      (bondedto (attr store1 < 112.738722631  and attr store1 > 111.938722631 ) or 
       bondedto (attr store1 < 64.996  and attr store1 > 64.196 ) or 
       bondedto (attr store1 < 17.2532773688  and attr store1 > 16.4532773688 ))) 
6 0.1 0.1 peak 1563 volume 103.65217 ppm1 0.872 ppm2 2.088
 
! ############### C13_CNnoesy_manual.1564 folded +
assi (attr store1 < 0.923 and attr store1 > 0.823 )
     ((attr store1 < 0.902 and attr store1 > 0.842 ) and 
      (bondedto (attr store1 < 112.742722631  and attr store1 > 111.942722631 ) or 
       bondedto (attr store1 < 65.0  and attr store1 > 64.2 ) or 
       bondedto (attr store1 < 17.2572773688  and attr store1 > 16.4572773688 ))) 
6 0.1 0.1 peak 1564 volume 2618.28613 ppm1 0.872 ppm2 0.873
 
! ############### C13_CNnoesy_manual.1565 folded +
assi (attr store1 < 8.215 and attr store1 > 8.115 )
     ((attr store1 < 0.899 and attr store1 > 0.839 ) and 
      (bondedto (attr store1 < 112.751722631  and attr store1 > 111.951722631 ) or 
       bondedto (attr store1 < 65.009  and attr store1 > 64.209 ) or 
       bondedto (attr store1 < 17.2662773688  and attr store1 > 16.4662773688 ))) 
6 0.1 0.1 peak 1565 volume 7.49896 ppm1 0.869 ppm2 8.165
 
! ############### C13_CNnoesy_manual.1566 folded +
assi (attr store1 < 1.945 and attr store1 > 1.845 )
     ((attr store1 < 0.901 and attr store1 > 0.841 ) and 
      (bondedto (attr store1 < 112.740722631  and attr store1 > 111.940722631 ) or 
       bondedto (attr store1 < 64.998  and attr store1 > 64.198 ) or 
       bondedto (attr store1 < 17.2552773688  and attr store1 > 16.4552773688 ))) 
6 0.1 0.1 peak 1566 volume 76.08576 ppm1 0.871 ppm2 1.895
 
! ############### C13_CNnoesy_manual.1567 folded +
assi (attr store1 < 1.585 and attr store1 > 1.485 )
     ((attr store1 < 0.897 and attr store1 > 0.837 ) and 
      (bondedto (attr store1 < 112.782722631  and attr store1 > 111.982722631 ) or 
       bondedto (attr store1 < 65.04  and attr store1 > 64.24 ) or 
       bondedto (attr store1 < 17.2972773688  and attr store1 > 16.4972773688 ))) 
6 0.1 0.1 peak 1567 volume 13.27919 ppm1 0.867 ppm2 1.535
 
! ############### C13_CNnoesy_manual.1568 folded +
assi (attr store1 < 1.427 and attr store1 > 1.327 )
     ((attr store1 < 0.901 and attr store1 > 0.841 ) and 
      (bondedto (attr store1 < 112.748722631  and attr store1 > 111.948722631 ) or 
       bondedto (attr store1 < 65.006  and attr store1 > 64.206 ) or 
       bondedto (attr store1 < 17.2632773688  and attr store1 > 16.4632773688 ))) 
6 0.1 0.1 peak 1568 volume 56.04559 ppm1 0.871 ppm2 1.377
 
! ############### C13_CNnoesy_manual.1569 folded +
assi (attr store1 < 4.753 and attr store1 > 4.653 )
     ((attr store1 < 4.188 and attr store1 > 4.128 ) and 
      (bondedto (attr store1 < 112.630722631  and attr store1 > 111.830722631 ) or 
       bondedto (attr store1 < 64.888  and attr store1 > 64.088 ) or 
       bondedto (attr store1 < 17.1452773688  and attr store1 > 16.3452773688 ))) 
6 0.1 0.1 peak 1569 volume 58.49603 ppm1 4.158 ppm2 4.703
 
! ############### C13_CNnoesy_manual.1570 folded +
assi (attr store1 < 7.634 and attr store1 > 7.534 )
     ((attr store1 < 4.134 and attr store1 > 4.074 ) and 
      (bondedto (attr store1 < 112.621722631  and attr store1 > 111.821722631 ) or 
       bondedto (attr store1 < 64.879  and attr store1 > 64.079 ) or 
       bondedto (attr store1 < 17.1362773688  and attr store1 > 16.3362773688 ))) 
6 0.1 0.1 peak 1570 volume 8.59780 ppm1 4.104 ppm2 7.584
 
! ############### C13_CNnoesy_manual.1571 folded +
assi (attr store1 < 7.459 and attr store1 > 7.359 )
     ((attr store1 < 4.137 and attr store1 > 4.077 ) and 
      (bondedto (attr store1 < 112.633722631  and attr store1 > 111.833722631 ) or 
       bondedto (attr store1 < 64.891  and attr store1 > 64.091 ) or 
       bondedto (attr store1 < 17.1482773688  and attr store1 > 16.3482773688 ))) 
6 0.1 0.1 peak 1571 volume 28.71860 ppm1 4.107 ppm2 7.409
 
! ############### C13_CNnoesy_manual.1572 folded +
assi (attr store1 < 4.754 and attr store1 > 4.654 )
     ((attr store1 < 4.137 and attr store1 > 4.077 ) and 
      (bondedto (attr store1 < 112.625722631  and attr store1 > 111.825722631 ) or 
       bondedto (attr store1 < 64.883  and attr store1 > 64.083 ) or 
       bondedto (attr store1 < 17.1402773688  and attr store1 > 16.3402773688 ))) 
6 0.1 0.1 peak 1572 volume 62.22394 ppm1 4.107 ppm2 4.704
 
! ############### C13_CNnoesy_manual.1573 folded +
assi (attr store1 < 7.48 and attr store1 > 7.38 )
     ((attr store1 < 4.19 and attr store1 > 4.13 ) and 
      (bondedto (attr store1 < 112.608722631  and attr store1 > 111.808722631 ) or 
       bondedto (attr store1 < 64.866  and attr store1 > 64.066 ) or 
       bondedto (attr store1 < 17.1232773688  and attr store1 > 16.3232773688 ))) 
6 0.1 0.1 peak 1573 volume 29.13359 ppm1 4.160 ppm2 7.430
 
! ############### C13_CNnoesy_manual.1574 folded +
assi (attr store1 < 3.675 and attr store1 > 3.575 )
     ((attr store1 < 4.355 and attr store1 > 4.295 ) and 
      (bondedto (attr store1 < 112.500722631  and attr store1 > 111.700722631 ) or 
       bondedto (attr store1 < 64.758  and attr store1 > 63.958 ) or 
       bondedto (attr store1 < 17.0152773688  and attr store1 > 16.2152773688 ))) 
6 0.1 0.1 peak 1574 volume 6.60324 ppm1 4.325 ppm2 3.625
 
! ############### C13_CNnoesy_manual.1575 folded +
assi (attr store1 < 7.75 and attr store1 > 7.65 )
     ((attr store1 < 4.35 and attr store1 > 4.29 ) and 
      (bondedto (attr store1 < 112.427722631  and attr store1 > 111.627722631 ) or 
       bondedto (attr store1 < 64.685  and attr store1 > 63.885 ) or 
       bondedto (attr store1 < 16.9422773688  and attr store1 > 16.1422773688 ))) 
6 0.1 0.1 peak 1575 volume 10.68750 ppm1 4.320 ppm2 7.700
 
! ############### C13_CNnoesy_manual.1576 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 4.35 and attr store1 > 4.29 ) and 
      (bondedto (attr store1 < 112.447722631  and attr store1 > 111.647722631 ) or 
       bondedto (attr store1 < 64.705  and attr store1 > 63.905 ) or 
       bondedto (attr store1 < 16.9622773688  and attr store1 > 16.1622773688 ))) 
6 0.1 0.1 peak 1576 volume 60.69876 ppm1 4.320 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1577 folded +
assi (attr store1 < 4.369 and attr store1 > 4.269 )
     ((attr store1 < 4.349 and attr store1 > 4.289 ) and 
      (bondedto (attr store1 < 112.446722631  and attr store1 > 111.646722631 ) or 
       bondedto (attr store1 < 64.704  and attr store1 > 63.904 ) or 
       bondedto (attr store1 < 16.9612773688  and attr store1 > 16.1612773688 ))) 
6 0.1 0.1 peak 1577 volume 447.74512 ppm1 4.319 ppm2 4.319
 
! ############### C13_CNnoesy_manual.1578 folded +
assi (attr store1 < 4.199 and attr store1 > 4.099 )
     ((attr store1 < 4.346 and attr store1 > 4.286 ) and 
      (bondedto (attr store1 < 112.443722631  and attr store1 > 111.643722631 ) or 
       bondedto (attr store1 < 64.701  and attr store1 > 63.901 ) or 
       bondedto (attr store1 < 16.9582773688  and attr store1 > 16.1582773688 ))) 
6 0.1 0.1 peak 1578 volume 14.75786 ppm1 4.316 ppm2 4.149
 
! ############### C13_CNnoesy_manual.1579 folded +
assi (attr store1 < 2.444 and attr store1 > 2.344 )
     ((attr store1 < 4.35 and attr store1 > 4.29 ) and 
      (bondedto (attr store1 < 112.440722631  and attr store1 > 111.640722631 ) or 
       bondedto (attr store1 < 64.698  and attr store1 > 63.898 ) or 
       bondedto (attr store1 < 16.9552773688  and attr store1 > 16.1552773688 ))) 
6 0.1 0.1 peak 1579 volume 78.43537 ppm1 4.320 ppm2 2.394
 
! ############### C13_CNnoesy_manual.1580 folded +
assi (attr store1 < 2.065 and attr store1 > 1.965 )
     ((attr store1 < 4.35 and attr store1 > 4.29 ) and 
      (bondedto (attr store1 < 112.440722631  and attr store1 > 111.640722631 ) or 
       bondedto (attr store1 < 64.698  and attr store1 > 63.898 ) or 
       bondedto (attr store1 < 16.9552773688  and attr store1 > 16.1552773688 ))) 
6 0.1 0.1 peak 1580 volume 41.74986 ppm1 4.320 ppm2 2.015
 
! ############### C13_CNnoesy_manual.1581 folded +
assi (attr store1 < 0.793 and attr store1 > 0.693 )
     ((attr store1 < 4.346 and attr store1 > 4.286 ) and 
      (bondedto (attr store1 < 112.498722631  and attr store1 > 111.698722631 ) or 
       bondedto (attr store1 < 64.756  and attr store1 > 63.956 ) or 
       bondedto (attr store1 < 17.0132773688  and attr store1 > 16.2132773688 ))) 
6 0.1 0.1 peak 1581 volume 6.78722 ppm1 4.316 ppm2 0.743
 
! ############### C13_CNnoesy_manual.1582 folded +
assi (attr store1 < 7.539 and attr store1 > 7.439 )
     ((attr store1 < 4.087 and attr store1 > 4.027 ) and 
      (bondedto (attr store1 < 112.453722631  and attr store1 > 111.653722631 ) or 
       bondedto (attr store1 < 64.711  and attr store1 > 63.911 ) or 
       bondedto (attr store1 < 16.9682773688  and attr store1 > 16.1682773688 ))) 
6 0.1 0.1 peak 1582 volume 22.30210 ppm1 4.057 ppm2 7.489
 
! ############### C13_CNnoesy_manual.1583 folded +
assi (attr store1 < 8.65 and attr store1 > 8.55 )
     ((attr store1 < 4.35 and attr store1 > 4.29 ) and 
      (bondedto (attr store1 < 112.420722631  and attr store1 > 111.620722631 ) or 
       bondedto (attr store1 < 64.678  and attr store1 > 63.878 ) or 
       bondedto (attr store1 < 16.9352773688  and attr store1 > 16.1352773688 ))) 
6 0.1 0.1 peak 1583 volume 15.87975 ppm1 4.320 ppm2 8.600
 
! ############### C13_CNnoesy_manual.1584 folded +
assi (attr store1 < 3.853 and attr store1 > 3.753 )
     ((attr store1 < 4.35 and attr store1 > 4.29 ) and 
      (bondedto (attr store1 < 112.399722631  and attr store1 > 111.599722631 ) or 
       bondedto (attr store1 < 64.657  and attr store1 > 63.857 ) or 
       bondedto (attr store1 < 16.9142773688  and attr store1 > 16.1142773688 ))) 
6 0.1 0.1 peak 1584 volume 8.40289 ppm1 4.320 ppm2 3.803
 
! ############### C13_CNnoesy_manual.1585 folded +
assi (attr store1 < 4.553 and attr store1 > 4.453 )
     ((attr store1 < 4.088 and attr store1 > 4.028 ) and 
      (bondedto (attr store1 < 112.421722631  and attr store1 > 111.621722631 ) or 
       bondedto (attr store1 < 64.679  and attr store1 > 63.879 ) or 
       bondedto (attr store1 < 16.9362773688  and attr store1 > 16.1362773688 ))) 
6 0.1 0.1 peak 1585 volume 70.39383 ppm1 4.058 ppm2 4.503
 
! ############### C13_CNnoesy_manual.1586 folded -
assi (attr store1 < 4.144 and attr store1 > 4.044 )
     ((attr store1 < 1.795 and attr store1 > 1.735 ) and 
      (bondedto (attr store1 < 136.202083947  and attr store1 > 135.402083947 ) or 
       bondedto (attr store1 < 40.7166386844  and attr store1 > 39.9166386844 ))) 
6 0.1 0.1 peak 1586 volume 10.89516 ppm1 1.765 ppm2 4.094
 
! ############### C13_CNnoesy_manual.1587 folded +
assi (attr store1 < 8.119 and attr store1 > 8.019 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 112.266722631  and attr store1 > 111.466722631 ) or 
       bondedto (attr store1 < 64.524  and attr store1 > 63.724 ) or 
       bondedto (attr store1 < 16.7812773688  and attr store1 > 15.9812773688 ))) 
6 0.1 0.1 peak 1587 volume 41.17141 ppm1 4.132 ppm2 8.069
 
! ############### C13_CNnoesy_manual.1588 folded +
assi (attr store1 < 4.887 and attr store1 > 4.787 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 112.315722631  and attr store1 > 111.515722631 ) or 
       bondedto (attr store1 < 64.573  and attr store1 > 63.773 ) or 
       bondedto (attr store1 < 16.8302773688  and attr store1 > 16.0302773688 ))) 
6 0.1 0.1 peak 1588 volume 77.07022 ppm1 4.132 ppm2 4.837
 
! ############### C13_CNnoesy_manual.1589 folded +
assi (attr store1 < 4.599 and attr store1 > 4.499 )
     ((attr store1 < 4.163 and attr store1 > 4.103 ) and 
      (bondedto (attr store1 < 112.280722631  and attr store1 > 111.480722631 ) or 
       bondedto (attr store1 < 64.538  and attr store1 > 63.738 ) or 
       bondedto (attr store1 < 16.7952773688  and attr store1 > 15.9952773688 ))) 
6 0.1 0.1 peak 1589 volume 145.99709 ppm1 4.133 ppm2 4.549
 
! ############### C13_CNnoesy_manual.1590 folded +
assi (attr store1 < 4.181 and attr store1 > 4.081 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 112.307722631  and attr store1 > 111.507722631 ) or 
       bondedto (attr store1 < 64.565  and attr store1 > 63.765 ) or 
       bondedto (attr store1 < 16.8222773688  and attr store1 > 16.0222773688 ))) 
6 0.1 0.1 peak 1590 volume 2165.68091 ppm1 4.132 ppm2 4.131
 
! ############### C13_CNnoesy_manual.1591 folded +
assi (attr store1 < 3.895 and attr store1 > 3.795 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 112.295722631  and attr store1 > 111.495722631 ) or 
       bondedto (attr store1 < 64.553  and attr store1 > 63.753 ) or 
       bondedto (attr store1 < 16.8102773688  and attr store1 > 16.0102773688 ))) 
6 0.1 0.1 peak 1591 volume 30.70110 ppm1 4.132 ppm2 3.845
 
! ############### C13_CNnoesy_manual.1592 folded +
assi (attr store1 < 2.261 and attr store1 > 2.161 )
     ((attr store1 < 4.161 and attr store1 > 4.101 ) and 
      (bondedto (attr store1 < 112.276722631  and attr store1 > 111.476722631 ) or 
       bondedto (attr store1 < 64.534  and attr store1 > 63.734 ) or 
       bondedto (attr store1 < 16.7912773688  and attr store1 > 15.9912773688 ))) 
6 0.1 0.1 peak 1592 volume 10.77007 ppm1 4.131 ppm2 2.211
 
! ############### C13_CNnoesy_manual.1593 folded +
assi (attr store1 < 1.074 and attr store1 > 0.974 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 112.274722631  and attr store1 > 111.474722631 ) or 
       bondedto (attr store1 < 64.532  and attr store1 > 63.732 ) or 
       bondedto (attr store1 < 16.7892773688  and attr store1 > 15.9892773688 ))) 
6 0.1 0.1 peak 1593 volume 11.26692 ppm1 4.132 ppm2 1.024
 
! ############### C13_CNnoesy_manual.1594 folded -
assi (attr store1 < 3.152 and attr store1 > 3.052 )
     ((attr store1 < 3.131 and attr store1 > 3.071 ) and 
      (bondedto (attr store1 < 136.170083947  and attr store1 > 135.370083947 ) or 
       bondedto (attr store1 < 40.6846386844  and attr store1 > 39.8846386844 ))) 
6 0.1 0.1 peak 1594 volume 106.92201 ppm1 3.101 ppm2 3.102
 
! ############### C13_CNnoesy_manual.1595 folded -
assi (attr store1 < 5.06 and attr store1 > 4.96 )
     ((attr store1 < 3.126 and attr store1 > 3.066 ) and 
      (bondedto (attr store1 < 136.112083947  and attr store1 > 135.312083947 ) or 
       bondedto (attr store1 < 40.6266386844  and attr store1 > 39.8266386844 ))) 
6 0.1 0.1 peak 1595 volume 16.43491 ppm1 3.096 ppm2 5.010
 
! ############### C13_CNnoesy_manual.1596 folded -
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 3.124 and attr store1 > 3.064 ) and 
      (bondedto (attr store1 < 136.152083947  and attr store1 > 135.352083947 ) or 
       bondedto (attr store1 < 40.6666386844  and attr store1 > 39.8666386844 ))) 
6 0.1 0.1 peak 1596 volume 13.80075 ppm1 3.094 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1597 folded -
assi (attr store1 < 2.857 and attr store1 > 2.757 )
     ((attr store1 < 3.121 and attr store1 > 3.061 ) and 
      (bondedto (attr store1 < 136.118083947  and attr store1 > 135.318083947 ) or 
       bondedto (attr store1 < 40.6326386844  and attr store1 > 39.8326386844 ))) 
6 0.1 0.1 peak 1597 volume 12.81602 ppm1 3.091 ppm2 2.807
 
! ############### C13_CNnoesy_manual.1598 folded -
assi (attr store1 < 2.5 and attr store1 > 2.4 )
     ((attr store1 < 3.12 and attr store1 > 3.06 ) and 
      (bondedto (attr store1 < 136.149083947  and attr store1 > 135.349083947 ) or 
       bondedto (attr store1 < 40.6636386844  and attr store1 > 39.8636386844 ))) 
6 0.1 0.1 peak 1598 volume 5.91505 ppm1 3.090 ppm2 2.450
 
! ############### C13_CNnoesy_manual.1599 folded -
assi (attr store1 < 1.192 and attr store1 > 1.092 )
     ((attr store1 < 3.126 and attr store1 > 3.066 ) and 
      (bondedto (attr store1 < 136.118083947  and attr store1 > 135.318083947 ) or 
       bondedto (attr store1 < 40.6326386844  and attr store1 > 39.8326386844 ))) 
6 0.1 0.1 peak 1599 volume 6.64144 ppm1 3.096 ppm2 1.142
 
! ############### C13_CNnoesy_manual.1600 folded -
assi (attr store1 < 8.334 and attr store1 > 8.234 )
     ((attr store1 < 2.664 and attr store1 > 2.604 ) and 
      (bondedto (attr store1 < 136.143083947  and attr store1 > 135.343083947 ) or 
       bondedto (attr store1 < 40.6576386844  and attr store1 > 39.8576386844 ))) 
6 0.1 0.1 peak 1600 volume 8.453 ppm1 2.634 ppm2 8.284
 
! ############### C13_CNnoesy_manual.1601 folded -
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 2.661 and attr store1 > 2.601 ) and 
      (bondedto (attr store1 < 136.130083947  and attr store1 > 135.330083947 ) or 
       bondedto (attr store1 < 40.6446386844  and attr store1 > 39.8446386844 ))) 
6 0.1 0.1 peak 1601 volume 12.81936 ppm1 2.631 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1602 folded -
assi (attr store1 < 9.262 and attr store1 > 9.162 )
     ((attr store1 < 1.795 and attr store1 > 1.735 ) and 
      (bondedto (attr store1 < 136.190083947  and attr store1 > 135.390083947 ) or 
       bondedto (attr store1 < 40.7046386844  and attr store1 > 39.9046386844 ))) 
6 0.1 0.1 peak 1602 volume 21.18045 ppm1 1.765 ppm2 9.212
 
! ############### C13_CNnoesy_manual.1603 folded -
assi (attr store1 < 7.367 and attr store1 > 7.267 )
     ((attr store1 < 1.794 and attr store1 > 1.734 ) and 
      (bondedto (attr store1 < 136.170083947  and attr store1 > 135.370083947 ) or 
       bondedto (attr store1 < 40.6846386844  and attr store1 > 39.8846386844 ))) 
6 0.1 0.1 peak 1603 volume 23.649 ppm1 1.764 ppm2 7.317
 
! ############### C13_CNnoesy_manual.1604 folded -
assi (attr store1 < 2.477 and attr store1 > 2.377 )
     ((attr store1 < 1.798 and attr store1 > 1.738 ) and 
      (bondedto (attr store1 < 136.114083947  and attr store1 > 135.314083947 ) or 
       bondedto (attr store1 < 40.6286386844  and attr store1 > 39.8286386844 ))) 
6 0.1 0.1 peak 1604 volume 6.96063 ppm1 1.768 ppm2 2.427
 
! ############### C13_CNnoesy_manual.1605 folded -
assi (attr store1 < 1.811 and attr store1 > 1.711 )
     ((attr store1 < 1.799 and attr store1 > 1.739 ) and 
      (bondedto (attr store1 < 136.174083947  and attr store1 > 135.374083947 ) or 
       bondedto (attr store1 < 40.6886386844  and attr store1 > 39.8886386844 ))) 
6 0.1 0.1 peak 1605 volume 175.07941 ppm1 1.769 ppm2 1.761
 
! ############### C13_CNnoesy_manual.1606 folded -
assi (attr store1 < 1.44 and attr store1 > 1.34 )
     ((attr store1 < 1.79 and attr store1 > 1.73 ) and 
      (bondedto (attr store1 < 136.124083947  and attr store1 > 135.324083947 ) or 
       bondedto (attr store1 < 40.6386386844  and attr store1 > 39.8386386844 ))) 
6 0.1 0.1 peak 1606 volume 10.83349 ppm1 1.760 ppm2 1.390
 
! ############### C13_CNnoesy_manual.1607 folded -
assi (attr store1 < 0.977 and attr store1 > 0.877 )
     ((attr store1 < 1.793 and attr store1 > 1.733 ) and 
      (bondedto (attr store1 < 136.176083947  and attr store1 > 135.376083947 ) or 
       bondedto (attr store1 < 40.6906386844  and attr store1 > 39.8906386844 ))) 
6 0.1 0.1 peak 1607 volume 89.14364 ppm1 1.763 ppm2 0.927
 
! ############### C13_CNnoesy_manual.1608 folded -
assi (attr store1 < 0.689 and attr store1 > 0.589 )
     ((attr store1 < 1.797 and attr store1 > 1.737 ) and 
      (bondedto (attr store1 < 136.177083947  and attr store1 > 135.377083947 ) or 
       bondedto (attr store1 < 40.6916386844  and attr store1 > 39.8916386844 ))) 
6 0.1 0.1 peak 1608 volume 14.27218 ppm1 1.767 ppm2 0.639
 
! ############### C13_CNnoesy_manual.1609 folded -
assi (attr store1 < 8.329 and attr store1 > 8.229 )
     ((attr store1 < 3.134 and attr store1 > 3.074 ) and 
      (bondedto (attr store1 < 136.101083947  and attr store1 > 135.301083947 ) or 
       bondedto (attr store1 < 40.6156386844  and attr store1 > 39.8156386844 ))) 
6 0.1 0.1 peak 1609 volume 6.29778 ppm1 3.104 ppm2 8.279
 
! ############### C13_CNnoesy_manual.1610 folded -
assi (attr store1 < 7.095 and attr store1 > 6.995 )
     ((attr store1 < 3.125 and attr store1 > 3.065 ) and 
      (bondedto (attr store1 < 136.055083947  and attr store1 > 135.255083947 ) or 
       bondedto (attr store1 < 40.5696386844  and attr store1 > 39.7696386844 ))) 
6 0.1 0.1 peak 1610 volume 12.28645 ppm1 3.095 ppm2 7.045
 
! ############### C13_CNnoesy_manual.1611 folded -
assi (attr store1 < 3.422 and attr store1 > 3.322 )
     ((attr store1 < 3.125 and attr store1 > 3.065 ) and 
      (bondedto (attr store1 < 136.076083947  and attr store1 > 135.276083947 ) or 
       bondedto (attr store1 < 40.5906386844  and attr store1 > 39.7906386844 ))) 
6 0.1 0.1 peak 1611 volume 15.98256 ppm1 3.095 ppm2 3.372
 
! ############### C13_CNnoesy_manual.1612 folded -
assi (attr store1 < 2.681 and attr store1 > 2.581 )
     ((attr store1 < 3.128 and attr store1 > 3.068 ) and 
      (bondedto (attr store1 < 136.098083947  and attr store1 > 135.298083947 ) or 
       bondedto (attr store1 < 40.6126386844  and attr store1 > 39.8126386844 ))) 
6 0.1 0.1 peak 1612 volume 143.78577 ppm1 3.098 ppm2 2.631
 
! ############### C13_CNnoesy_manual.1613 folded -
assi (attr store1 < 2.7 and attr store1 > 2.6 )
     ((attr store1 < 2.751 and attr store1 > 2.691 ) and 
      (bondedto (attr store1 < 136.091083947  and attr store1 > 135.291083947 ) or 
       bondedto (attr store1 < 40.6056386844  and attr store1 > 39.8056386844 ))) 
6 0.1 0.1 peak 1613 volume 6.72367 ppm1 2.721 ppm2 2.650
 
! ############### C13_CNnoesy_manual.1614 folded -
assi (attr store1 < 7.087 and attr store1 > 6.987 )
     ((attr store1 < 2.662 and attr store1 > 2.602 ) and 
      (bondedto (attr store1 < 136.078083947  and attr store1 > 135.278083947 ) or 
       bondedto (attr store1 < 40.5926386844  and attr store1 > 39.7926386844 ))) 
6 0.1 0.1 peak 1614 volume 9.80368 ppm1 2.632 ppm2 7.037
 
! ############### C13_CNnoesy_manual.1615 folded -
assi (attr store1 < 5.062 and attr store1 > 4.962 )
     ((attr store1 < 2.663 and attr store1 > 2.603 ) and 
      (bondedto (attr store1 < 136.095083947  and attr store1 > 135.295083947 ) or 
       bondedto (attr store1 < 40.6096386844  and attr store1 > 39.8096386844 ))) 
6 0.1 0.1 peak 1615 volume 25.2835 ppm1 2.633 ppm2 5.012
 
! ############### C13_CNnoesy_manual.1616 folded -
assi (attr store1 < 3.428 and attr store1 > 3.328 )
     ((attr store1 < 2.664 and attr store1 > 2.604 ) and 
      (bondedto (attr store1 < 136.065083947  and attr store1 > 135.265083947 ) or 
       bondedto (attr store1 < 40.5796386844  and attr store1 > 39.7796386844 ))) 
6 0.1 0.1 peak 1616 volume 10.9715 ppm1 2.634 ppm2 3.378
 
! ############### C13_CNnoesy_manual.1617 folded -
assi (attr store1 < 3.147 and attr store1 > 3.047 )
     ((attr store1 < 2.663 and attr store1 > 2.603 ) and 
      (bondedto (attr store1 < 136.096083947  and attr store1 > 135.296083947 ) or 
       bondedto (attr store1 < 40.6106386844  and attr store1 > 39.8106386844 ))) 
6 0.1 0.1 peak 1617 volume 157.07268 ppm1 2.633 ppm2 3.097
 
! ############### C13_CNnoesy_manual.1618 folded -
assi (attr store1 < 2.681 and attr store1 > 2.581 )
     ((attr store1 < 2.664 and attr store1 > 2.604 ) and 
      (bondedto (attr store1 < 136.101083947  and attr store1 > 135.301083947 ) or 
       bondedto (attr store1 < 40.6156386844  and attr store1 > 39.8156386844 ))) 
6 0.1 0.1 peak 1618 volume 227.97739 ppm1 2.634 ppm2 2.631
 
! ############### C13_CNnoesy_manual.1619 folded +
assi (attr store1 < 4.042 and attr store1 > 3.942 )
     ((attr store1 < 4.051 and attr store1 > 3.991 ) and 
      (bondedto (attr store1 < 112.062722631  and attr store1 > 111.262722631 ) or 
       bondedto (attr store1 < 64.32  and attr store1 > 63.52 ) or 
       bondedto (attr store1 < 16.5772773688  and attr store1 > 15.7772773688 ))) 
6 0.1 0.1 peak 1619 volume 4740.88916 ppm1 4.021 ppm2 3.992
 
! ############### C13_CNnoesy_manual.1620 folded +
assi (attr store1 < 4.591 and attr store1 > 4.491 )
     ((attr store1 < 3.999 and attr store1 > 3.939 ) and 
      (bondedto (attr store1 < 112.089722631  and attr store1 > 111.289722631 ) or 
       bondedto (attr store1 < 64.347  and attr store1 > 63.547 ) or 
       bondedto (attr store1 < 16.6042773688  and attr store1 > 15.8042773688 ))) 
6 0.1 0.1 peak 1620 volume 37.02309 ppm1 3.969 ppm2 4.541
 
! ############### C13_CNnoesy_manual.1621 folded +
assi (attr store1 < 4.052 and attr store1 > 3.952 )
     ((attr store1 < 4.001 and attr store1 > 3.941 ) and 
      (bondedto (attr store1 < 112.055722631  and attr store1 > 111.255722631 ) or 
       bondedto (attr store1 < 64.313  and attr store1 > 63.513 ) or 
       bondedto (attr store1 < 16.5702773688  and attr store1 > 15.7702773688 ))) 
6 0.1 0.1 peak 1621 volume 5314.24219 ppm1 3.971 ppm2 4.002
 
! ############### C13_CNnoesy_manual.1622 folded +
assi (attr store1 < 3.859 and attr store1 > 3.759 )
     ((attr store1 < 3.987 and attr store1 > 3.927 ) and 
      (bondedto (attr store1 < 112.099722631  and attr store1 > 111.299722631 ) or 
       bondedto (attr store1 < 64.357  and attr store1 > 63.557 ) or 
       bondedto (attr store1 < 16.6142773688  and attr store1 > 15.8142773688 ))) 
6 0.1 0.1 peak 1622 volume 30.09402 ppm1 3.957 ppm2 3.809
 
! ############### C13_CNnoesy_manual.1623 folded -
assi (attr store1 < 7.658 and attr store1 > 7.558 )
     ((attr store1 < 3.662 and attr store1 > 3.602 ) and 
      (bondedto (attr store1 < 135.828083947  and attr store1 > 135.028083947 ) or 
       bondedto (attr store1 < 40.3426386844  and attr store1 > 39.5426386844 ))) 
6 0.1 0.1 peak 1623 volume 36.86614 ppm1 3.632 ppm2 7.608
 
! ############### C13_CNnoesy_manual.1624 folded -
assi (attr store1 < 4.917 and attr store1 > 4.817 )
     ((attr store1 < 3.038 and attr store1 > 2.978 ) and 
      (bondedto (attr store1 < 135.839083947  and attr store1 > 135.039083947 ) or 
       bondedto (attr store1 < 40.3536386844  and attr store1 > 39.5536386844 ))) 
6 0.1 0.1 peak 1624 volume 19.36966 ppm1 3.008 ppm2 4.867
 
! ############### C13_CNnoesy_manual.1625 folded -
assi (attr store1 < 0.919 and attr store1 > 0.819 )
     ((attr store1 < 3.038 and attr store1 > 2.978 ) and 
      (bondedto (attr store1 < 135.845083947  and attr store1 > 135.045083947 ) or 
       bondedto (attr store1 < 40.3596386844  and attr store1 > 39.5596386844 ))) 
6 0.1 0.1 peak 1625 volume 6.89396 ppm1 3.008 ppm2 0.869
 
! ############### C13_CNnoesy_manual.1626 folded -
assi (attr store1 < 0.826 and attr store1 > 0.726 )
     ((attr store1 < 3.034 and attr store1 > 2.974 ) and 
      (bondedto (attr store1 < 135.844083947  and attr store1 > 135.044083947 ) or 
       bondedto (attr store1 < 40.3586386844  and attr store1 > 39.5586386844 ))) 
6 0.1 0.1 peak 1626 volume 10.27901 ppm1 3.004 ppm2 0.776
 
! ############### C13_CNnoesy_manual.1627 folded -
assi (attr store1 < 4.874 and attr store1 > 4.774 )
     ((attr store1 < 4.232 and attr store1 > 4.172 ) and 
      (bondedto (attr store1 < 135.780083947  and attr store1 > 134.980083947 ) or 
       bondedto (attr store1 < 40.2946386844  and attr store1 > 39.4946386844 ))) 
6 0.1 0.1 peak 1627 volume 9.07835 ppm1 4.202 ppm2 4.824
 
! ############### C13_CNnoesy_manual.1628 folded -
assi (attr store1 < 3.682 and attr store1 > 3.582 )
     ((attr store1 < 3.664 and attr store1 > 3.604 ) and 
      (bondedto (attr store1 < 135.797083947  and attr store1 > 134.997083947 ) or 
       bondedto (attr store1 < 40.3116386844  and attr store1 > 39.5116386844 ))) 
6 0.1 0.1 peak 1628 volume 113.4707 ppm1 3.634 ppm2 3.632
 
! ############### C13_CNnoesy_manual.1629 folded -
assi (attr store1 < 7.476 and attr store1 > 7.376 )
     ((attr store1 < 3.661 and attr store1 > 3.601 ) and 
      (bondedto (attr store1 < 135.795083947  and attr store1 > 134.995083947 ) or 
       bondedto (attr store1 < 40.3096386844  and attr store1 > 39.5096386844 ))) 
6 0.1 0.1 peak 1629 volume 7.38379 ppm1 3.631 ppm2 7.426
 
! ############### C13_CNnoesy_manual.1630 folded -
assi (attr store1 < 4.925 and attr store1 > 4.825 )
     ((attr store1 < 3.661 and attr store1 > 3.601 ) and 
      (bondedto (attr store1 < 135.801083947  and attr store1 > 135.001083947 ) or 
       bondedto (attr store1 < 40.3156386844  and attr store1 > 39.5156386844 ))) 
6 0.1 0.1 peak 1630 volume 21.49631 ppm1 3.631 ppm2 4.875
 
! ############### C13_CNnoesy_manual.1631 folded -
assi (attr store1 < 3.056 and attr store1 > 2.956 )
     ((attr store1 < 3.662 and attr store1 > 3.602 ) and 
      (bondedto (attr store1 < 135.810083947  and attr store1 > 135.010083947 ) or 
       bondedto (attr store1 < 40.3246386844  and attr store1 > 39.5246386844 ))) 
6 0.1 0.1 peak 1631 volume 89.63058 ppm1 3.632 ppm2 3.006
 
! ############### C13_CNnoesy_manual.1632 folded -
assi (attr store1 < 0.816 and attr store1 > 0.716 )
     ((attr store1 < 3.663 and attr store1 > 3.603 ) and 
      (bondedto (attr store1 < 135.796083947  and attr store1 > 134.996083947 ) or 
       bondedto (attr store1 < 40.3106386844  and attr store1 > 39.5106386844 ))) 
6 0.1 0.1 peak 1632 volume 12.9302 ppm1 3.633 ppm2 0.766
 
! ############### C13_CNnoesy_manual.1633 folded -
assi (attr store1 < 0.132 and attr store1 > 0.032 )
     ((attr store1 < 3.657 and attr store1 > 3.597 ) and 
      (bondedto (attr store1 < 135.822083947  and attr store1 > 135.022083947 ) or 
       bondedto (attr store1 < 40.3366386844  and attr store1 > 39.5366386844 ))) 
6 0.1 0.1 peak 1633 volume 7.1753 ppm1 3.627 ppm2 0.082
 
! ############### C13_CNnoesy_manual.1634 folded -
assi (attr store1 < 4.139 and attr store1 > 4.039 )
     ((attr store1 < 3.039 and attr store1 > 2.979 ) and 
      (bondedto (attr store1 < 135.801083947  and attr store1 > 135.001083947 ) or 
       bondedto (attr store1 < 40.3156386844  and attr store1 > 39.5156386844 ))) 
6 0.1 0.1 peak 1634 volume 11.45624 ppm1 3.009 ppm2 4.089
 
! ############### C13_CNnoesy_manual.1635 folded -
assi (attr store1 < 7.678 and attr store1 > 7.578 )
     ((attr store1 < 3.035 and attr store1 > 2.975 ) and 
      (bondedto (attr store1 < 135.813083947  and attr store1 > 135.013083947 ) or 
       bondedto (attr store1 < 40.3276386844  and attr store1 > 39.5276386844 ))) 
6 0.1 0.1 peak 1635 volume 36.32918 ppm1 3.005 ppm2 7.628
 
! ############### C13_CNnoesy_manual.1636 folded -
assi (attr store1 < 7.48 and attr store1 > 7.38 )
     ((attr store1 < 3.034 and attr store1 > 2.974 ) and 
      (bondedto (attr store1 < 135.792083947  and attr store1 > 134.992083947 ) or 
       bondedto (attr store1 < 40.3066386844  and attr store1 > 39.5066386844 ))) 
6 0.1 0.1 peak 1636 volume 9.4761 ppm1 3.004 ppm2 7.430
 
! ############### C13_CNnoesy_manual.1637 folded -
assi (attr store1 < 3.683 and attr store1 > 3.583 )
     ((attr store1 < 3.036 and attr store1 > 2.976 ) and 
      (bondedto (attr store1 < 135.806083947  and attr store1 > 135.006083947 ) or 
       bondedto (attr store1 < 40.3206386844  and attr store1 > 39.5206386844 ))) 
6 0.1 0.1 peak 1637 volume 91.00335 ppm1 3.006 ppm2 3.633
 
! ############### C13_CNnoesy_manual.1638 folded +
assi (attr store1 < 8.725 and attr store1 > 8.625 )
     ((attr store1 < 1.364 and attr store1 > 1.304 ) and 
      (bondedto (attr store1 < 111.807722631  and attr store1 > 111.007722631 ) or 
       bondedto (attr store1 < 64.065  and attr store1 > 63.265 ) or 
       bondedto (attr store1 < 16.3222773688  and attr store1 > 15.5222773688 ))) 
6 0.1 0.1 peak 1638 volume 9.89923 ppm1 1.334 ppm2 8.675
 
! ############### C13_CNnoesy_manual.1639 folded +
assi (attr store1 < 8.461 and attr store1 > 8.361 )
     ((attr store1 < 1.364 and attr store1 > 1.304 ) and 
      (bondedto (attr store1 < 111.800722631  and attr store1 > 111.000722631 ) or 
       bondedto (attr store1 < 64.058  and attr store1 > 63.258 ) or 
       bondedto (attr store1 < 16.3152773688  and attr store1 > 15.5152773688 ))) 
6 0.1 0.1 peak 1639 volume 9.15509 ppm1 1.334 ppm2 8.411
 
! ############### C13_CNnoesy_manual.1640 folded +
assi (attr store1 < 8.305 and attr store1 > 8.205 )
     ((attr store1 < 1.365 and attr store1 > 1.305 ) and 
      (bondedto (attr store1 < 111.819722631  and attr store1 > 111.019722631 ) or 
       bondedto (attr store1 < 64.077  and attr store1 > 63.277 ) or 
       bondedto (attr store1 < 16.3342773688  and attr store1 > 15.5342773688 ))) 
6 0.1 0.1 peak 1640 volume 12.26348 ppm1 1.335 ppm2 8.255
 
! ############### C13_CNnoesy_manual.1641 folded +
assi (attr store1 < 8.056 and attr store1 > 7.956 )
     ((attr store1 < 1.364 and attr store1 > 1.304 ) and 
      (bondedto (attr store1 < 111.817722631  and attr store1 > 111.017722631 ) or 
       bondedto (attr store1 < 64.075  and attr store1 > 63.275 ) or 
       bondedto (attr store1 < 16.3322773688  and attr store1 > 15.5322773688 ))) 
6 0.1 0.1 peak 1641 volume 12.12338 ppm1 1.334 ppm2 8.006
 
! ############### C13_CNnoesy_manual.1642 folded +
assi (attr store1 < 7.773 and attr store1 > 7.673 )
     ((attr store1 < 1.365 and attr store1 > 1.305 ) and 
      (bondedto (attr store1 < 111.807722631  and attr store1 > 111.007722631 ) or 
       bondedto (attr store1 < 64.065  and attr store1 > 63.265 ) or 
       bondedto (attr store1 < 16.3222773688  and attr store1 > 15.5222773688 ))) 
6 0.1 0.1 peak 1642 volume 13.77258 ppm1 1.335 ppm2 7.723
 
! ############### C13_CNnoesy_manual.1643 folded +
assi (attr store1 < 7.309 and attr store1 > 7.209 )
     ((attr store1 < 1.365 and attr store1 > 1.305 ) and 
      (bondedto (attr store1 < 111.810722631  and attr store1 > 111.010722631 ) or 
       bondedto (attr store1 < 64.068  and attr store1 > 63.268 ) or 
       bondedto (attr store1 < 16.3252773688  and attr store1 > 15.5252773688 ))) 
6 0.1 0.1 peak 1643 volume 24.50156 ppm1 1.335 ppm2 7.259
 
! ############### C13_CNnoesy_manual.1644 folded +
assi (attr store1 < 6.793 and attr store1 > 6.693 )
     ((attr store1 < 1.365 and attr store1 > 1.305 ) and 
      (bondedto (attr store1 < 111.814722631  and attr store1 > 111.014722631 ) or 
       bondedto (attr store1 < 64.072  and attr store1 > 63.272 ) or 
       bondedto (attr store1 < 16.3292773688  and attr store1 > 15.5292773688 ))) 
6 0.1 0.1 peak 1644 volume 27.32999 ppm1 1.335 ppm2 6.743
 
! ############### C13_CNnoesy_manual.1645 folded +
assi (attr store1 < 4.886 and attr store1 > 4.786 )
     ((attr store1 < 1.362 and attr store1 > 1.302 ) and 
      (bondedto (attr store1 < 111.829722631  and attr store1 > 111.029722631 ) or 
       bondedto (attr store1 < 64.087  and attr store1 > 63.287 ) or 
       bondedto (attr store1 < 16.3442773688  and attr store1 > 15.5442773688 ))) 
6 0.1 0.1 peak 1645 volume 14.81980 ppm1 1.332 ppm2 4.836
 
! ############### C13_CNnoesy_manual.1646 folded +
assi (attr store1 < 4.612 and attr store1 > 4.512 )
     ((attr store1 < 1.363 and attr store1 > 1.303 ) and 
      (bondedto (attr store1 < 111.804722631  and attr store1 > 111.004722631 ) or 
       bondedto (attr store1 < 64.062  and attr store1 > 63.262 ) or 
       bondedto (attr store1 < 16.3192773688  and attr store1 > 15.5192773688 ))) 
6 0.1 0.1 peak 1646 volume 27.21535 ppm1 1.333 ppm2 4.562
 
! ############### C13_CNnoesy_manual.1647 folded +
assi (attr store1 < 4.267 and attr store1 > 4.167 )
     ((attr store1 < 1.364 and attr store1 > 1.304 ) and 
      (bondedto (attr store1 < 111.827722631  and attr store1 > 111.027722631 ) or 
       bondedto (attr store1 < 64.085  and attr store1 > 63.285 ) or 
       bondedto (attr store1 < 16.3422773688  and attr store1 > 15.5422773688 ))) 
6 0.1 0.1 peak 1647 volume 64.04650 ppm1 1.334 ppm2 4.217
 
! ############### C13_CNnoesy_manual.1648 folded +
assi (attr store1 < 4.078 and attr store1 > 3.978 )
     ((attr store1 < 1.364 and attr store1 > 1.304 ) and 
      (bondedto (attr store1 < 111.799722631  and attr store1 > 110.999722631 ) or 
       bondedto (attr store1 < 64.057  and attr store1 > 63.257 ) or 
       bondedto (attr store1 < 16.3142773688  and attr store1 > 15.5142773688 ))) 
6 0.1 0.1 peak 1648 volume 17.40559 ppm1 1.334 ppm2 4.028
 
! ############### C13_CNnoesy_manual.1649 folded +
assi (attr store1 < 3.92 and attr store1 > 3.82 )
     ((attr store1 < 1.366 and attr store1 > 1.306 ) and 
      (bondedto (attr store1 < 111.802722631  and attr store1 > 111.002722631 ) or 
       bondedto (attr store1 < 64.06  and attr store1 > 63.26 ) or 
       bondedto (attr store1 < 16.3172773688  and attr store1 > 15.5172773688 ))) 
6 0.1 0.1 peak 1649 volume 9.36459 ppm1 1.336 ppm2 3.870
 
! ############### C13_CNnoesy_manual.1650 folded +
assi (attr store1 < 2.643 and attr store1 > 2.543 )
     ((attr store1 < 1.364 and attr store1 > 1.304 ) and 
      (bondedto (attr store1 < 111.793722631  and attr store1 > 110.993722631 ) or 
       bondedto (attr store1 < 64.051  and attr store1 > 63.251 ) or 
       bondedto (attr store1 < 16.3082773688  and attr store1 > 15.5082773688 ))) 
6 0.1 0.1 peak 1650 volume 41.63393 ppm1 1.334 ppm2 2.593
 
! ############### C13_CNnoesy_manual.1651 folded +
assi (attr store1 < 2.434 and attr store1 > 2.334 )
     ((attr store1 < 1.363 and attr store1 > 1.303 ) and 
      (bondedto (attr store1 < 111.804722631  and attr store1 > 111.004722631 ) or 
       bondedto (attr store1 < 64.062  and attr store1 > 63.262 ) or 
       bondedto (attr store1 < 16.3192773688  and attr store1 > 15.5192773688 ))) 
6 0.1 0.1 peak 1651 volume 31.87061 ppm1 1.333 ppm2 2.384
 
! ############### C13_CNnoesy_manual.1652 folded +
assi (attr store1 < 2.2 and attr store1 > 2.1 )
     ((attr store1 < 1.364 and attr store1 > 1.304 ) and 
      (bondedto (attr store1 < 111.809722631  and attr store1 > 111.009722631 ) or 
       bondedto (attr store1 < 64.067  and attr store1 > 63.267 ) or 
       bondedto (attr store1 < 16.3242773688  and attr store1 > 15.5242773688 ))) 
6 0.1 0.1 peak 1652 volume 76.22369 ppm1 1.334 ppm2 2.150
 
! ############### C13_CNnoesy_manual.1653 folded +
assi (attr store1 < 1.964 and attr store1 > 1.864 )
     ((attr store1 < 1.363 and attr store1 > 1.303 ) and 
      (bondedto (attr store1 < 111.801722631  and attr store1 > 111.001722631 ) or 
       bondedto (attr store1 < 64.059  and attr store1 > 63.259 ) or 
       bondedto (attr store1 < 16.3162773688  and attr store1 > 15.5162773688 ))) 
6 0.1 0.1 peak 1653 volume 70.72723 ppm1 1.333 ppm2 1.914
 
! ############### C13_CNnoesy_manual.1654 folded +
assi (attr store1 < 1.56 and attr store1 > 1.46 )
     ((attr store1 < 1.363 and attr store1 > 1.303 ) and 
      (bondedto (attr store1 < 111.803722631  and attr store1 > 111.003722631 ) or 
       bondedto (attr store1 < 64.061  and attr store1 > 63.261 ) or 
       bondedto (attr store1 < 16.3182773688  and attr store1 > 15.5182773688 ))) 
6 0.1 0.1 peak 1654 volume 168.59894 ppm1 1.333 ppm2 1.510
 
! ############### C13_CNnoesy_manual.1655 folded +
assi (attr store1 < 1.385 and attr store1 > 1.285 )
     ((attr store1 < 1.365 and attr store1 > 1.305 ) and 
      (bondedto (attr store1 < 111.798722631  and attr store1 > 110.998722631 ) or 
       bondedto (attr store1 < 64.056  and attr store1 > 63.256 ) or 
       bondedto (attr store1 < 16.3132773688  and attr store1 > 15.5132773688 ))) 
6 0.1 0.1 peak 1655 volume 5276.92822 ppm1 1.335 ppm2 1.335
 
! ############### C13_CNnoesy_manual.1656 folded +
assi (attr store1 < 1.214 and attr store1 > 1.114 )
     ((attr store1 < 1.362 and attr store1 > 1.302 ) and 
      (bondedto (attr store1 < 111.807722631  and attr store1 > 111.007722631 ) or 
       bondedto (attr store1 < 64.065  and attr store1 > 63.265 ) or 
       bondedto (attr store1 < 16.3222773688  and attr store1 > 15.5222773688 ))) 
6 0.1 0.1 peak 1656 volume 82.38540 ppm1 1.332 ppm2 1.164
 
! ############### C13_CNnoesy_manual.1657 folded +
assi (attr store1 < 1.105 and attr store1 > 1.005 )
     ((attr store1 < 1.36 and attr store1 > 1.3 ) and 
      (bondedto (attr store1 < 111.819722631  and attr store1 > 111.019722631 ) or 
       bondedto (attr store1 < 64.077  and attr store1 > 63.277 ) or 
       bondedto (attr store1 < 16.3342773688  and attr store1 > 15.5342773688 ))) 
6 0.1 0.1 peak 1657 volume 34.54873 ppm1 1.330 ppm2 1.055
 
! ############### C13_CNnoesy_manual.1658 folded +
assi (attr store1 < 0.893 and attr store1 > 0.793 )
     ((attr store1 < 1.363 and attr store1 > 1.303 ) and 
      (bondedto (attr store1 < 111.798722631  and attr store1 > 110.998722631 ) or 
       bondedto (attr store1 < 64.056  and attr store1 > 63.256 ) or 
       bondedto (attr store1 < 16.3132773688  and attr store1 > 15.5132773688 ))) 
6 0.1 0.1 peak 1658 volume 91.05222 ppm1 1.333 ppm2 0.843
 
! ############### C13_CNnoesy_manual.1659 folded +
assi (attr store1 < 4.616 and attr store1 > 4.516 )
     ((attr store1 < 4.596 and attr store1 > 4.536 ) and 
      (bondedto (attr store1 < 111.591722631  and attr store1 > 110.791722631 ) or 
       bondedto (attr store1 < 63.849  and attr store1 > 63.049 ) or 
       bondedto (attr store1 < 16.1062773688  and attr store1 > 15.3062773688 ))) 
6 0.1 0.1 peak 1659 volume 3830.55688 ppm1 4.566 ppm2 4.566
 
! ############### C13_CNnoesy_manual.1660 folded +
assi (attr store1 < 9.272 and attr store1 > 9.172 )
     ((attr store1 < 4.127 and attr store1 > 4.067 ) and 
      (bondedto (attr store1 < 111.448722631  and attr store1 > 110.648722631 ) or 
       bondedto (attr store1 < 63.706  and attr store1 > 62.906 ) or 
       bondedto (attr store1 < 15.9632773688  and attr store1 > 15.1632773688 ))) 
6 0.1 0.1 peak 1660 volume 11.00755 ppm1 4.097 ppm2 9.222
 
! ############### C13_CNnoesy_manual.1661 folded +
assi (attr store1 < 7.361 and attr store1 > 7.261 )
     ((attr store1 < 4.121 and attr store1 > 4.061 ) and 
      (bondedto (attr store1 < 111.472722631  and attr store1 > 110.672722631 ) or 
       bondedto (attr store1 < 63.73  and attr store1 > 62.93 ) or 
       bondedto (attr store1 < 15.9872773688  and attr store1 > 15.1872773688 ))) 
6 0.1 0.1 peak 1661 volume 21.01858 ppm1 4.091 ppm2 7.311
 
! ############### C13_CNnoesy_manual.1662 folded +
assi (attr store1 < 2.126 and attr store1 > 2.026 )
     ((attr store1 < 4.125 and attr store1 > 4.065 ) and 
      (bondedto (attr store1 < 111.405722631  and attr store1 > 110.605722631 ) or 
       bondedto (attr store1 < 63.663  and attr store1 > 62.863 ) or 
       bondedto (attr store1 < 15.9202773688  and attr store1 > 15.1202773688 ))) 
6 0.1 0.1 peak 1662 volume 12.05796 ppm1 4.095 ppm2 2.076
 
! ############### C13_CNnoesy_manual.1663 folded +
assi (attr store1 < 1.08 and attr store1 > 0.98 )
     ((attr store1 < 4.122 and attr store1 > 4.062 ) and 
      (bondedto (attr store1 < 111.420722631  and attr store1 > 110.620722631 ) or 
       bondedto (attr store1 < 63.678  and attr store1 > 62.878 ) or 
       bondedto (attr store1 < 15.9352773688  and attr store1 > 15.1352773688 ))) 
6 0.1 0.1 peak 1663 volume 83.42818 ppm1 4.092 ppm2 1.030
 
! ############### C13_CNnoesy_manual.1664 folded +
assi (attr store1 < 0.963 and attr store1 > 0.863 )
     ((attr store1 < 4.123 and attr store1 > 4.063 ) and 
      (bondedto (attr store1 < 111.430722631  and attr store1 > 110.630722631 ) or 
       bondedto (attr store1 < 63.688  and attr store1 > 62.888 ) or 
       bondedto (attr store1 < 15.9452773688  and attr store1 > 15.1452773688 ))) 
6 0.1 0.1 peak 1664 volume 96.10784 ppm1 4.093 ppm2 0.913
 
! ############### C13_CNnoesy_manual.1665 folded +
assi (attr store1 < 7.072 and attr store1 > 6.972 )
     ((attr store1 < 4.118 and attr store1 > 4.058 ) and 
      (bondedto (attr store1 < 111.429722631  and attr store1 > 110.629722631 ) or 
       bondedto (attr store1 < 63.687  and attr store1 > 62.887 ) or 
       bondedto (attr store1 < 15.9442773688  and attr store1 > 15.1442773688 ))) 
6 0.1 0.1 peak 1665 volume 8.11598 ppm1 4.088 ppm2 7.022
 
! ############### C13_CNnoesy_manual.1666 folded +
assi (attr store1 < 4.14 and attr store1 > 4.04 )
     ((attr store1 < 1.794 and attr store1 > 1.734 ) and 
      (bondedto (attr store1 < 111.439722631  and attr store1 > 110.639722631 ) or 
       bondedto (attr store1 < 63.697  and attr store1 > 62.897 ) or 
       bondedto (attr store1 < 15.9542773688  and attr store1 > 15.1542773688 ))) 
6 0.1 0.1 peak 1666 volume 17.49507 ppm1 1.764 ppm2 4.090
 
! ############### C13_CNnoesy_manual.1667 folded +
assi (attr store1 < 2.18 and attr store1 > 2.08 )
     ((attr store1 < 4.224 and attr store1 > 4.164 ) and 
      (bondedto (attr store1 < 111.308722631  and attr store1 > 110.508722631 ) or 
       bondedto (attr store1 < 63.566  and attr store1 > 62.766 ) or 
       bondedto (attr store1 < 15.8232773688  and attr store1 > 15.0232773688 ))) 
6 0.1 0.1 peak 1667 volume 8.70510 ppm1 4.194 ppm2 2.130
 
! ############### C13_CNnoesy_manual.1668 folded +
assi (attr store1 < 9.629 and attr store1 > 9.529 )
     ((attr store1 < 4.223 and attr store1 > 4.163 ) and 
      (bondedto (attr store1 < 111.349722631  and attr store1 > 110.549722631 ) or 
       bondedto (attr store1 < 63.607  and attr store1 > 62.807 ) or 
       bondedto (attr store1 < 15.8642773688  and attr store1 > 15.0642773688 ))) 
6 0.1 0.1 peak 1668 volume 17.69731 ppm1 4.193 ppm2 9.579
 
! ############### C13_CNnoesy_manual.1669 folded +
assi (attr store1 < 9.298 and attr store1 > 9.198 )
     ((attr store1 < 4.221 and attr store1 > 4.161 ) and 
      (bondedto (attr store1 < 111.356722631  and attr store1 > 110.556722631 ) or 
       bondedto (attr store1 < 63.614  and attr store1 > 62.814 ) or 
       bondedto (attr store1 < 15.8712773688  and attr store1 > 15.0712773688 ))) 
6 0.1 0.1 peak 1669 volume 85.49905 ppm1 4.191 ppm2 9.248
 
! ############### C13_CNnoesy_manual.1670 folded +
assi (attr store1 < 7.679 and attr store1 > 7.579 )
     ((attr store1 < 4.221 and attr store1 > 4.161 ) and 
      (bondedto (attr store1 < 111.358722631  and attr store1 > 110.558722631 ) or 
       bondedto (attr store1 < 63.616  and attr store1 > 62.816 ) or 
       bondedto (attr store1 < 15.8732773688  and attr store1 > 15.0732773688 ))) 
6 0.1 0.1 peak 1670 volume 14.95452 ppm1 4.191 ppm2 7.629
 
! ############### C13_CNnoesy_manual.1671 folded +
assi (attr store1 < 2.314 and attr store1 > 2.214 )
     ((attr store1 < 4.222 and attr store1 > 4.162 ) and 
      (bondedto (attr store1 < 111.345722631  and attr store1 > 110.545722631 ) or 
       bondedto (attr store1 < 63.603  and attr store1 > 62.803 ) or 
       bondedto (attr store1 < 15.8602773688  and attr store1 > 15.0602773688 ))) 
6 0.1 0.1 peak 1671 volume 10.83343 ppm1 4.192 ppm2 2.264
 
! ############### C13_CNnoesy_manual.1672 folded +
assi (attr store1 < 1.938 and attr store1 > 1.838 )
     ((attr store1 < 4.22 and attr store1 > 4.16 ) and 
      (bondedto (attr store1 < 111.353722631  and attr store1 > 110.553722631 ) or 
       bondedto (attr store1 < 63.611  and attr store1 > 62.811 ) or 
       bondedto (attr store1 < 15.8682773688  and attr store1 > 15.0682773688 ))) 
6 0.1 0.1 peak 1672 volume 23.77171 ppm1 4.190 ppm2 1.888
 
! ############### C13_CNnoesy_manual.1673 folded +
assi (attr store1 < 0.941 and attr store1 > 0.841 )
     ((attr store1 < 4.222 and attr store1 > 4.162 ) and 
      (bondedto (attr store1 < 111.348722631  and attr store1 > 110.548722631 ) or 
       bondedto (attr store1 < 63.606  and attr store1 > 62.806 ) or 
       bondedto (attr store1 < 15.8632773688  and attr store1 > 15.0632773688 ))) 
6 0.1 0.1 peak 1673 volume 103.37406 ppm1 4.192 ppm2 0.891
 
! ############### C13_CNnoesy_manual.1674 folded +
assi (attr store1 < 1.816 and attr store1 > 1.716 )
     ((attr store1 < 4.125 and attr store1 > 4.065 ) and 
      (bondedto (attr store1 < 111.378722631  and attr store1 > 110.578722631 ) or 
       bondedto (attr store1 < 63.636  and attr store1 > 62.836 ) or 
       bondedto (attr store1 < 15.8932773688  and attr store1 > 15.0932773688 ))) 
6 0.1 0.1 peak 1674 volume 25.89870 ppm1 4.095 ppm2 1.766
 
! ############### C13_CNnoesy_manual.1675 folded +
assi (attr store1 < 4.261 and attr store1 > 4.161 )
     ((attr store1 < 4.233 and attr store1 > 4.173 ) and 
      (bondedto (attr store1 < 111.211722631  and attr store1 > 110.411722631 ) or 
       bondedto (attr store1 < 63.469  and attr store1 > 62.669 ) or 
       bondedto (attr store1 < 15.7262773688  and attr store1 > 14.9262773688 ))) 
6 0.1 0.1 peak 1675 volume 615.82330 ppm1 4.203 ppm2 4.211
 
! ############### C13_CNnoesy_manual.1676 folded +
assi (attr store1 < 2.029 and attr store1 > 1.929 )
     ((attr store1 < 4.117 and attr store1 > 4.057 ) and 
      (bondedto (attr store1 < 111.277722631  and attr store1 > 110.477722631 ) or 
       bondedto (attr store1 < 63.535  and attr store1 > 62.735 ) or 
       bondedto (attr store1 < 15.7922773688  and attr store1 > 14.9922773688 ))) 
6 0.1 0.1 peak 1676 volume 11.27007 ppm1 4.087 ppm2 1.979
 
! ############### C13_CNnoesy_manual.1677 folded +
assi (attr store1 < 8.32 and attr store1 > 8.22 )
     ((attr store1 < 4.248 and attr store1 > 4.188 ) and 
      (bondedto (attr store1 < 111.118722631  and attr store1 > 110.318722631 ) or 
       bondedto (attr store1 < 63.376  and attr store1 > 62.576 ) or 
       bondedto (attr store1 < 15.6332773688  and attr store1 > 14.8332773688 ))) 
6 0.1 0.1 peak 1677 volume 20.75469 ppm1 4.218 ppm2 8.270
 
! ############### C13_CNnoesy_manual.1678 folded +
assi (attr store1 < 7.783 and attr store1 > 7.683 )
     ((attr store1 < 4.245 and attr store1 > 4.185 ) and 
      (bondedto (attr store1 < 111.137722631  and attr store1 > 110.337722631 ) or 
       bondedto (attr store1 < 63.395  and attr store1 > 62.595 ) or 
       bondedto (attr store1 < 15.6522773688  and attr store1 > 14.8522773688 ))) 
6 0.1 0.1 peak 1678 volume 14.28917 ppm1 4.215 ppm2 7.733
 
! ############### C13_CNnoesy_manual.1679 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 4.133 and attr store1 > 4.073 ) and 
      (bondedto (attr store1 < 111.129722631  and attr store1 > 110.329722631 ) or 
       bondedto (attr store1 < 63.387  and attr store1 > 62.587 ) or 
       bondedto (attr store1 < 15.6442773688  and attr store1 > 14.8442773688 ))) 
6 0.1 0.1 peak 1679 volume 50.71355 ppm1 4.103 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1680 folded +
assi (attr store1 < 4.152 and attr store1 > 4.052 )
     ((attr store1 < 4.128 and attr store1 > 4.068 ) and 
      (bondedto (attr store1 < 111.160722631  and attr store1 > 110.360722631 ) or 
       bondedto (attr store1 < 63.418  and attr store1 > 62.618 ) or 
       bondedto (attr store1 < 15.6752773688  and attr store1 > 14.8752773688 ))) 
6 0.1 0.1 peak 1680 volume 1291.99854 ppm1 4.098 ppm2 4.102
 
! ############### C13_CNnoesy_manual.1681 folded +
assi (attr store1 < 8.479 and attr store1 > 8.379 )
     ((attr store1 < 0.859 and attr store1 > 0.799 ) and 
      (bondedto (attr store1 < 111.119722631  and attr store1 > 110.319722631 ) or 
       bondedto (attr store1 < 63.377  and attr store1 > 62.577 ) or 
       bondedto (attr store1 < 15.6342773688  and attr store1 > 14.8342773688 ))) 
6 0.1 0.1 peak 1681 volume 29.04377 ppm1 0.829 ppm2 8.429
 
! ############### C13_CNnoesy_manual.1682 folded +
assi (attr store1 < 8.051 and attr store1 > 7.951 )
     ((attr store1 < 0.858 and attr store1 > 0.798 ) and 
      (bondedto (attr store1 < 111.119722631  and attr store1 > 110.319722631 ) or 
       bondedto (attr store1 < 63.377  and attr store1 > 62.577 ) or 
       bondedto (attr store1 < 15.6342773688  and attr store1 > 14.8342773688 ))) 
6 0.1 0.1 peak 1682 volume 10.10390 ppm1 0.828 ppm2 8.001
 
! ############### C13_CNnoesy_manual.1683 folded +
assi (attr store1 < 4.882 and attr store1 > 4.782 )
     ((attr store1 < 0.857 and attr store1 > 0.797 ) and 
      (bondedto (attr store1 < 111.146722631  and attr store1 > 110.346722631 ) or 
       bondedto (attr store1 < 63.404  and attr store1 > 62.604 ) or 
       bondedto (attr store1 < 15.6612773688  and attr store1 > 14.8612773688 ))) 
6 0.1 0.1 peak 1683 volume 6.79223 ppm1 0.827 ppm2 4.832
 
! ############### C13_CNnoesy_manual.1684 folded +
assi (attr store1 < 4.125 and attr store1 > 4.025 )
     ((attr store1 < 0.858 and attr store1 > 0.798 ) and 
      (bondedto (attr store1 < 111.141722631  and attr store1 > 110.341722631 ) or 
       bondedto (attr store1 < 63.399  and attr store1 > 62.599 ) or 
       bondedto (attr store1 < 15.6562773688  and attr store1 > 14.8562773688 ))) 
6 0.1 0.1 peak 1684 volume 12.85674 ppm1 0.828 ppm2 4.075
 
! ############### C13_CNnoesy_manual.1685 folded +
assi (attr store1 < 3.882 and attr store1 > 3.782 )
     ((attr store1 < 0.859 and attr store1 > 0.799 ) and 
      (bondedto (attr store1 < 111.125722631  and attr store1 > 110.325722631 ) or 
       bondedto (attr store1 < 63.383  and attr store1 > 62.583 ) or 
       bondedto (attr store1 < 15.6402773688  and attr store1 > 14.8402773688 ))) 
6 0.1 0.1 peak 1685 volume 63.75445 ppm1 0.829 ppm2 3.832
 
! ############### C13_CNnoesy_manual.1686 folded +
assi (attr store1 < 3.581 and attr store1 > 3.481 )
     ((attr store1 < 0.859 and attr store1 > 0.799 ) and 
      (bondedto (attr store1 < 111.136722631  and attr store1 > 110.336722631 ) or 
       bondedto (attr store1 < 63.394  and attr store1 > 62.594 ) or 
       bondedto (attr store1 < 15.6512773688  and attr store1 > 14.8512773688 ))) 
6 0.1 0.1 peak 1686 volume 23.99850 ppm1 0.829 ppm2 3.531
 
! ############### C13_CNnoesy_manual.1687 folded +
assi (attr store1 < 2.637 and attr store1 > 2.537 )
     ((attr store1 < 0.859 and attr store1 > 0.799 ) and 
      (bondedto (attr store1 < 111.132722631  and attr store1 > 110.332722631 ) or 
       bondedto (attr store1 < 63.39  and attr store1 > 62.59 ) or 
       bondedto (attr store1 < 15.6472773688  and attr store1 > 14.8472773688 ))) 
6 0.1 0.1 peak 1687 volume 10.77095 ppm1 0.829 ppm2 2.587
 
! ############### C13_CNnoesy_manual.1688 folded +
assi (attr store1 < 2.43 and attr store1 > 2.33 )
     ((attr store1 < 0.858 and attr store1 > 0.798 ) and 
      (bondedto (attr store1 < 111.118722631  and attr store1 > 110.318722631 ) or 
       bondedto (attr store1 < 63.376  and attr store1 > 62.576 ) or 
       bondedto (attr store1 < 15.6332773688  and attr store1 > 14.8332773688 ))) 
6 0.1 0.1 peak 1688 volume 24.85345 ppm1 0.828 ppm2 2.380
 
! ############### C13_CNnoesy_manual.1689 folded +
assi (attr store1 < 1.421 and attr store1 > 1.321 )
     ((attr store1 < 0.859 and attr store1 > 0.799 ) and 
      (bondedto (attr store1 < 111.117722631  and attr store1 > 110.317722631 ) or 
       bondedto (attr store1 < 63.375  and attr store1 > 62.575 ) or 
       bondedto (attr store1 < 15.6322773688  and attr store1 > 14.8322773688 ))) 
6 0.1 0.1 peak 1689 volume 72.41810 ppm1 0.829 ppm2 1.371
 
! ############### C13_CNnoesy_manual.1690 folded +
assi (attr store1 < 1.577 and attr store1 > 1.477 )
     ((attr store1 < 4.249 and attr store1 > 4.189 ) and 
      (bondedto (attr store1 < 111.073722631  and attr store1 > 110.273722631 ) or 
       bondedto (attr store1 < 63.331  and attr store1 > 62.531 ) or 
       bondedto (attr store1 < 15.5882773688  and attr store1 > 14.7882773688 ))) 
6 0.1 0.1 peak 1690 volume 47.35048 ppm1 4.219 ppm2 1.527
 
! ############### C13_CNnoesy_manual.1691 folded +
assi (attr store1 < 7.311 and attr store1 > 7.211 )
     ((attr store1 < 4.245 and attr store1 > 4.185 ) and 
      (bondedto (attr store1 < 111.113722631  and attr store1 > 110.313722631 ) or 
       bondedto (attr store1 < 63.371  and attr store1 > 62.571 ) or 
       bondedto (attr store1 < 15.6282773688  and attr store1 > 14.8282773688 ))) 
6 0.1 0.1 peak 1691 volume 17.79490 ppm1 4.215 ppm2 7.261
 
! ############### C13_CNnoesy_manual.1692 folded +
assi (attr store1 < 3.262 and attr store1 > 3.162 )
     ((attr store1 < 4.247 and attr store1 > 4.187 ) and 
      (bondedto (attr store1 < 111.096722631  and attr store1 > 110.296722631 ) or 
       bondedto (attr store1 < 63.354  and attr store1 > 62.554 ) or 
       bondedto (attr store1 < 15.6112773688  and attr store1 > 14.8112773688 ))) 
6 0.1 0.1 peak 1692 volume 17.10677 ppm1 4.217 ppm2 3.212
 
! ############### C13_CNnoesy_manual.1693 folded +
assi (attr store1 < 2.904 and attr store1 > 2.804 )
     ((attr store1 < 4.248 and attr store1 > 4.188 ) and 
      (bondedto (attr store1 < 111.092722631  and attr store1 > 110.292722631 ) or 
       bondedto (attr store1 < 63.35  and attr store1 > 62.55 ) or 
       bondedto (attr store1 < 15.6072773688  and attr store1 > 14.8072773688 ))) 
6 0.1 0.1 peak 1693 volume 30.81450 ppm1 4.218 ppm2 2.854
 
! ############### C13_CNnoesy_manual.1694 folded +
assi (attr store1 < 1.386 and attr store1 > 1.286 )
     ((attr store1 < 4.247 and attr store1 > 4.187 ) and 
      (bondedto (attr store1 < 111.091722631  and attr store1 > 110.291722631 ) or 
       bondedto (attr store1 < 63.349  and attr store1 > 62.549 ) or 
       bondedto (attr store1 < 15.6062773688  and attr store1 > 14.8062773688 ))) 
6 0.1 0.1 peak 1694 volume 26.83818 ppm1 4.217 ppm2 1.336
 
! ############### C13_CNnoesy_manual.1695 folded +
assi (attr store1 < 8.334 and attr store1 > 8.234 )
     ((attr store1 < 4.133 and attr store1 > 4.073 ) and 
      (bondedto (attr store1 < 111.094722631  and attr store1 > 110.294722631 ) or 
       bondedto (attr store1 < 63.352  and attr store1 > 62.552 ) or 
       bondedto (attr store1 < 15.6092773688  and attr store1 > 14.8092773688 ))) 
6 0.1 0.1 peak 1695 volume 22.30422 ppm1 4.103 ppm2 8.284
 
! ############### C13_CNnoesy_manual.1696 folded +
assi (attr store1 < 1.652 and attr store1 > 1.552 )
     ((attr store1 < 4.135 and attr store1 > 4.075 ) and 
      (bondedto (attr store1 < 111.091722631  and attr store1 > 110.291722631 ) or 
       bondedto (attr store1 < 63.349  and attr store1 > 62.549 ) or 
       bondedto (attr store1 < 15.6062773688  and attr store1 > 14.8062773688 ))) 
6 0.1 0.1 peak 1696 volume 33.82677 ppm1 4.105 ppm2 1.602
 
! ############### C13_CNnoesy_manual.1697 folded +
assi (attr store1 < 8.715 and attr store1 > 8.615 )
     ((attr store1 < 0.859 and attr store1 > 0.799 ) and 
      (bondedto (attr store1 < 111.107722631  and attr store1 > 110.307722631 ) or 
       bondedto (attr store1 < 63.365  and attr store1 > 62.565 ) or 
       bondedto (attr store1 < 15.6222773688  and attr store1 > 14.8222773688 ))) 
6 0.1 0.1 peak 1697 volume 9.15576 ppm1 0.829 ppm2 8.665
 
! ############### C13_CNnoesy_manual.1698 folded +
assi (attr store1 < 8.205 and attr store1 > 8.105 )
     ((attr store1 < 0.857 and attr store1 > 0.797 ) and 
      (bondedto (attr store1 < 111.092722631  and attr store1 > 110.292722631 ) or 
       bondedto (attr store1 < 63.35  and attr store1 > 62.55 ) or 
       bondedto (attr store1 < 15.6072773688  and attr store1 > 14.8072773688 ))) 
6 0.1 0.1 peak 1698 volume 5.52169 ppm1 0.827 ppm2 8.155
 
! ############### C13_CNnoesy_manual.1699 folded +
assi (attr store1 < 7.751 and attr store1 > 7.651 )
     ((attr store1 < 0.859 and attr store1 > 0.799 ) and 
      (bondedto (attr store1 < 111.069722631  and attr store1 > 110.269722631 ) or 
       bondedto (attr store1 < 63.327  and attr store1 > 62.527 ) or 
       bondedto (attr store1 < 15.5842773688  and attr store1 > 14.7842773688 ))) 
6 0.1 0.1 peak 1699 volume 5.72139 ppm1 0.829 ppm2 7.701
 
! ############### C13_CNnoesy_manual.1700 folded +
assi (attr store1 < 2.144 and attr store1 > 2.044 )
     ((attr store1 < 0.858 and attr store1 > 0.798 ) and 
      (bondedto (attr store1 < 111.113722631  and attr store1 > 110.313722631 ) or 
       bondedto (attr store1 < 63.371  and attr store1 > 62.571 ) or 
       bondedto (attr store1 < 15.6282773688  and attr store1 > 14.8282773688 ))) 
6 0.1 0.1 peak 1700 volume 77.88586 ppm1 0.828 ppm2 2.094
 
! ############### C13_CNnoesy_manual.1701 folded +
assi (attr store1 < 1.953 and attr store1 > 1.853 )
     ((attr store1 < 0.859 and attr store1 > 0.799 ) and 
      (bondedto (attr store1 < 111.114722631  and attr store1 > 110.314722631 ) or 
       bondedto (attr store1 < 63.372  and attr store1 > 62.572 ) or 
       bondedto (attr store1 < 15.6292773688  and attr store1 > 14.8292773688 ))) 
6 0.1 0.1 peak 1701 volume 124.68068 ppm1 0.829 ppm2 1.903
 
! ############### C13_CNnoesy_manual.1702 folded +
assi (attr store1 < 1.576 and attr store1 > 1.476 )
     ((attr store1 < 0.858 and attr store1 > 0.798 ) and 
      (bondedto (attr store1 < 111.115722631  and attr store1 > 110.315722631 ) or 
       bondedto (attr store1 < 63.373  and attr store1 > 62.573 ) or 
       bondedto (attr store1 < 15.6302773688  and attr store1 > 14.8302773688 ))) 
6 0.1 0.1 peak 1702 volume 38.33941 ppm1 0.828 ppm2 1.526
 
! ############### C13_CNnoesy_manual.1703 folded +
assi (attr store1 < 0.879 and attr store1 > 0.779 )
     ((attr store1 < 0.859 and attr store1 > 0.799 ) and 
      (bondedto (attr store1 < 111.115722631  and attr store1 > 110.315722631 ) or 
       bondedto (attr store1 < 63.373  and attr store1 > 62.573 ) or 
       bondedto (attr store1 < 15.6302773688  and attr store1 > 14.8302773688 ))) 
6 0.1 0.1 peak 1703 volume 2374.81421 ppm1 0.829 ppm2 0.829
 
! ############### C13_CNnoesy_manual.1704 folded +
assi (attr store1 < 0.519 and attr store1 > 0.419 )
     ((attr store1 < 0.853 and attr store1 > 0.793 ) and 
      (bondedto (attr store1 < 111.087722631  and attr store1 > 110.287722631 ) or 
       bondedto (attr store1 < 63.345  and attr store1 > 62.545 ) or 
       bondedto (attr store1 < 15.6022773688  and attr store1 > 14.8022773688 ))) 
6 0.1 0.1 peak 1704 volume 9.96005 ppm1 0.823 ppm2 0.469
 
! ############### C13_CNnoesy_manual.1705 folded +
assi (attr store1 < 0.142 and attr store1 > 0.042 )
     ((attr store1 < 0.859 and attr store1 > 0.799 ) and 
      (bondedto (attr store1 < 111.106722631  and attr store1 > 110.306722631 ) or 
       bondedto (attr store1 < 63.364  and attr store1 > 62.564 ) or 
       bondedto (attr store1 < 15.6212773688  and attr store1 > 14.8212773688 ))) 
6 0.1 0.1 peak 1705 volume 13.62257 ppm1 0.829 ppm2 0.092
 
! ############### C13_CNnoesy_manual.1706 folded +
assi (attr store1 < 8.423 and attr store1 > 8.323 )
     ((attr store1 < 4.194 and attr store1 > 4.134 ) and 
      (bondedto (attr store1 < 110.691722631  and attr store1 > 109.891722631 ) or 
       bondedto (attr store1 < 62.949  and attr store1 > 62.149 ) or 
       bondedto (attr store1 < 15.2062773688  and attr store1 > 14.4062773688 ))) 
6 0.1 0.1 peak 1706 volume 6.84179 ppm1 4.164 ppm2 8.373
 
! ############### C13_CNnoesy_manual.1707 folded +
assi (attr store1 < 4.89 and attr store1 > 4.79 )
     ((attr store1 < 4.193 and attr store1 > 4.133 ) and 
      (bondedto (attr store1 < 110.669722631  and attr store1 > 109.869722631 ) or 
       bondedto (attr store1 < 62.927  and attr store1 > 62.127 ) or 
       bondedto (attr store1 < 15.1842773688  and attr store1 > 14.3842773688 ))) 
6 0.1 0.1 peak 1707 volume 110.47118 ppm1 4.163 ppm2 4.840
 
! ############### C13_CNnoesy_manual.1708 folded +
assi (attr store1 < 4.5 and attr store1 > 4.4 )
     ((attr store1 < 4.189 and attr store1 > 4.129 ) and 
      (bondedto (attr store1 < 110.701722631  and attr store1 > 109.901722631 ) or 
       bondedto (attr store1 < 62.959  and attr store1 > 62.159 ) or 
       bondedto (attr store1 < 15.2162773688  and attr store1 > 14.4162773688 ))) 
6 0.1 0.1 peak 1708 volume 8.07624 ppm1 4.159 ppm2 4.450
 
! ############### C13_CNnoesy_manual.1709 folded +
assi (attr store1 < 4.214 and attr store1 > 4.114 )
     ((attr store1 < 4.194 and attr store1 > 4.134 ) and 
      (bondedto (attr store1 < 110.683722631  and attr store1 > 109.883722631 ) or 
       bondedto (attr store1 < 62.941  and attr store1 > 62.141 ) or 
       bondedto (attr store1 < 15.1982773688  and attr store1 > 14.3982773688 ))) 
6 0.1 0.1 peak 1709 volume 781.81458 ppm1 4.164 ppm2 4.164
 
! ############### C13_CNnoesy_manual.1710 folded +
assi (attr store1 < 3.932 and attr store1 > 3.832 )
     ((attr store1 < 4.192 and attr store1 > 4.132 ) and 
      (bondedto (attr store1 < 110.654722631  and attr store1 > 109.854722631 ) or 
       bondedto (attr store1 < 62.912  and attr store1 > 62.112 ) or 
       bondedto (attr store1 < 15.1692773688  and attr store1 > 14.3692773688 ))) 
6 0.1 0.1 peak 1710 volume 82.17850 ppm1 4.162 ppm2 3.882
 
! ############### C13_CNnoesy_manual.1711 folded +
assi (attr store1 < 0.909 and attr store1 > 0.809 )
     ((attr store1 < 4.193 and attr store1 > 4.133 ) and 
      (bondedto (attr store1 < 110.673722631  and attr store1 > 109.873722631 ) or 
       bondedto (attr store1 < 62.931  and attr store1 > 62.131 ) or 
       bondedto (attr store1 < 15.1882773688  and attr store1 > 14.3882773688 ))) 
6 0.1 0.1 peak 1711 volume 63.80157 ppm1 4.163 ppm2 0.859
 
! ############### C13_CNnoesy_manual.1712 folded -
assi (attr store1 < 7.03 and attr store1 > 6.93 )
     ((attr store1 < 3.327 and attr store1 > 3.267 ) and 
      (bondedto (attr store1 < 134.532083947  and attr store1 > 133.732083947 ) or 
       bondedto (attr store1 < 39.0466386844  and attr store1 > 38.2466386844 ))) 
6 0.1 0.1 peak 1712 volume 25.57374 ppm1 3.297 ppm2 6.980
 
! ############### C13_CNnoesy_manual.1713 folded -
assi (attr store1 < 4.888 and attr store1 > 4.788 )
     ((attr store1 < 3.329 and attr store1 > 3.269 ) and 
      (bondedto (attr store1 < 134.535083947  and attr store1 > 133.735083947 ) or 
       bondedto (attr store1 < 39.0496386844  and attr store1 > 38.2496386844 ))) 
6 0.1 0.1 peak 1713 volume 16.28367 ppm1 3.299 ppm2 4.838
 
! ############### C13_CNnoesy_manual.1714 folded -
assi (attr store1 < 4.087 and attr store1 > 3.987 )
     ((attr store1 < 3.329 and attr store1 > 3.269 ) and 
      (bondedto (attr store1 < 134.532083947  and attr store1 > 133.732083947 ) or 
       bondedto (attr store1 < 39.0466386844  and attr store1 > 38.2466386844 ))) 
6 0.1 0.1 peak 1714 volume 26.86175 ppm1 3.299 ppm2 4.037
 
! ############### C13_CNnoesy_manual.1715 folded -
assi (attr store1 < 3.345 and attr store1 > 3.245 )
     ((attr store1 < 3.326 and attr store1 > 3.266 ) and 
      (bondedto (attr store1 < 134.535083947  and attr store1 > 133.735083947 ) or 
       bondedto (attr store1 < 39.0496386844  and attr store1 > 38.2496386844 ))) 
6 0.1 0.1 peak 1715 volume 129.91982 ppm1 3.296 ppm2 3.295
 
! ############### C13_CNnoesy_manual.1716 folded -
assi (attr store1 < 3.09 and attr store1 > 2.99 )
     ((attr store1 < 3.327 and attr store1 > 3.267 ) and 
      (bondedto (attr store1 < 134.544083947  and attr store1 > 133.744083947 ) or 
       bondedto (attr store1 < 39.0586386844  and attr store1 > 38.2586386844 ))) 
6 0.1 0.1 peak 1716 volume 92.66863 ppm1 3.297 ppm2 3.040
 
! ############### C13_CNnoesy_manual.1717 folded -
assi (attr store1 < 0.804 and attr store1 > 0.704 )
     ((attr store1 < 3.331 and attr store1 > 3.271 ) and 
      (bondedto (attr store1 < 134.598083947  and attr store1 > 133.798083947 ) or 
       bondedto (attr store1 < 39.1126386844  and attr store1 > 38.3126386844 ))) 
6 0.1 0.1 peak 1717 volume 7.20331 ppm1 3.301 ppm2 0.754
 
! ############### C13_CNnoesy_manual.1718 folded -
assi (attr store1 < 9.048 and attr store1 > 8.948 )
     ((attr store1 < 3.067 and attr store1 > 3.007 ) and 
      (bondedto (attr store1 < 134.562083947  and attr store1 > 133.762083947 ) or 
       bondedto (attr store1 < 39.0766386844  and attr store1 > 38.2766386844 ))) 
6 0.1 0.1 peak 1718 volume 8.16279 ppm1 3.037 ppm2 8.998
 
! ############### C13_CNnoesy_manual.1719 folded -
assi (attr store1 < 7.03 and attr store1 > 6.93 )
     ((attr store1 < 3.07 and attr store1 > 3.01 ) and 
      (bondedto (attr store1 < 134.527083947  and attr store1 > 133.727083947 ) or 
       bondedto (attr store1 < 39.0416386844  and attr store1 > 38.2416386844 ))) 
6 0.1 0.1 peak 1719 volume 28.21288 ppm1 3.040 ppm2 6.980
 
! ############### C13_CNnoesy_manual.1720 folded -
assi (attr store1 < 4.087 and attr store1 > 3.987 )
     ((attr store1 < 3.071 and attr store1 > 3.011 ) and 
      (bondedto (attr store1 < 134.566083947  and attr store1 > 133.766083947 ) or 
       bondedto (attr store1 < 39.0806386844  and attr store1 > 38.2806386844 ))) 
6 0.1 0.1 peak 1720 volume 20.488 ppm1 3.041 ppm2 4.037
 
! ############### C13_CNnoesy_manual.1721 folded -
assi (attr store1 < 3.347 and attr store1 > 3.247 )
     ((attr store1 < 3.071 and attr store1 > 3.011 ) and 
      (bondedto (attr store1 < 134.537083947  and attr store1 > 133.737083947 ) or 
       bondedto (attr store1 < 39.0516386844  and attr store1 > 38.2516386844 ))) 
6 0.1 0.1 peak 1721 volume 94.83747 ppm1 3.041 ppm2 3.297
 
! ############### C13_CNnoesy_manual.1722 folded -
assi (attr store1 < 2.011 and attr store1 > 1.911 )
     ((attr store1 < 3.33 and attr store1 > 3.27 ) and 
      (bondedto (attr store1 < 134.469083947  and attr store1 > 133.669083947 ) or 
       bondedto (attr store1 < 38.9836386844  and attr store1 > 38.1836386844 ))) 
6 0.1 0.1 peak 1722 volume 5.62978 ppm1 3.300 ppm2 1.961
 
! ############### C13_CNnoesy_manual.1723 folded -
assi (attr store1 < 1.151 and attr store1 > 1.051 )
     ((attr store1 < 3.324 and attr store1 > 3.264 ) and 
      (bondedto (attr store1 < 134.502083947  and attr store1 > 133.702083947 ) or 
       bondedto (attr store1 < 39.0166386844  and attr store1 > 38.2166386844 ))) 
6 0.1 0.1 peak 1723 volume 6.33569 ppm1 3.294 ppm2 1.101
 
! ############### C13_CNnoesy_manual.1724 folded -
assi (attr store1 < 4.261 and attr store1 > 4.161 )
     ((attr store1 < 3.255 and attr store1 > 3.195 ) and 
      (bondedto (attr store1 < 134.455083947  and attr store1 > 133.655083947 ) or 
       bondedto (attr store1 < 38.9696386844  and attr store1 > 38.1696386844 ))) 
6 0.1 0.1 peak 1724 volume 12.71799 ppm1 3.225 ppm2 4.211
 
! ############### C13_CNnoesy_manual.1725 folded -
assi (attr store1 < 3.274 and attr store1 > 3.174 )
     ((attr store1 < 3.247 and attr store1 > 3.187 ) and 
      (bondedto (attr store1 < 134.482083947  and attr store1 > 133.682083947 ) or 
       bondedto (attr store1 < 38.9966386844  and attr store1 > 38.1966386844 ))) 
6 0.1 0.1 peak 1725 volume 52.55601 ppm1 3.217 ppm2 3.224
 
! ############### C13_CNnoesy_manual.1726 folded -
assi (attr store1 < 1.611 and attr store1 > 1.511 )
     ((attr store1 < 3.254 and attr store1 > 3.194 ) and 
      (bondedto (attr store1 < 134.468083947  and attr store1 > 133.668083947 ) or 
       bondedto (attr store1 < 38.9826386844  and attr store1 > 38.1826386844 ))) 
6 0.1 0.1 peak 1726 volume 13.55798 ppm1 3.224 ppm2 1.561
 
! ############### C13_CNnoesy_manual.1727 folded -
assi (attr store1 < 2.904 and attr store1 > 2.804 )
     ((attr store1 < 3.242 and attr store1 > 3.182 ) and 
      (bondedto (attr store1 < 134.445083947  and attr store1 > 133.645083947 ) or 
       bondedto (attr store1 < 38.9596386844  and attr store1 > 38.1596386844 ))) 
6 0.1 0.1 peak 1727 volume 45.9239 ppm1 3.212 ppm2 2.854
 
! ############### C13_CNnoesy_manual.1728 folded -
assi (attr store1 < 8.318 and attr store1 > 8.218 )
     ((attr store1 < 3.233 and attr store1 > 3.173 ) and 
      (bondedto (attr store1 < 134.477083947  and attr store1 > 133.677083947 ) or 
       bondedto (attr store1 < 38.9916386844  and attr store1 > 38.1916386844 ))) 
6 0.1 0.1 peak 1728 volume 10.86769 ppm1 3.203 ppm2 8.268
 
! ############### C13_CNnoesy_manual.1729 folded -
assi (attr store1 < 7.292 and attr store1 > 7.192 )
     ((attr store1 < 3.227 and attr store1 > 3.167 ) and 
      (bondedto (attr store1 < 134.464083947  and attr store1 > 133.664083947 ) or 
       bondedto (attr store1 < 38.9786386844  and attr store1 > 38.1786386844 ))) 
6 0.1 0.1 peak 1729 volume 7.84862 ppm1 3.197 ppm2 7.242
 
! ############### C13_CNnoesy_manual.1730 folded -
assi (attr store1 < 3.092 and attr store1 > 2.992 )
     ((attr store1 < 3.072 and attr store1 > 3.012 ) and 
      (bondedto (attr store1 < 134.472083947  and attr store1 > 133.672083947 ) or 
       bondedto (attr store1 < 38.9866386844  and attr store1 > 38.1866386844 ))) 
6 0.1 0.1 peak 1730 volume 124.09245 ppm1 3.042 ppm2 3.042
 
! ############### C13_CNnoesy_manual.1731 folded -
assi (attr store1 < 7.307 and attr store1 > 7.207 )
     ((attr store1 < 2.886 and attr store1 > 2.826 ) and 
      (bondedto (attr store1 < 134.464083947  and attr store1 > 133.664083947 ) or 
       bondedto (attr store1 < 38.9786386844  and attr store1 > 38.1786386844 ))) 
6 0.1 0.1 peak 1731 volume 10.89968 ppm1 2.856 ppm2 7.257
 
! ############### C13_CNnoesy_manual.1732 folded -
assi (attr store1 < 4.261 and attr store1 > 4.161 )
     ((attr store1 < 2.886 and attr store1 > 2.826 ) and 
      (bondedto (attr store1 < 134.433083947  and attr store1 > 133.633083947 ) or 
       bondedto (attr store1 < 38.9476386844  and attr store1 > 38.1476386844 ))) 
6 0.1 0.1 peak 1732 volume 19.25573 ppm1 2.856 ppm2 4.211
 
! ############### C13_CNnoesy_manual.1733 folded -
assi (attr store1 < 3.261 and attr store1 > 3.161 )
     ((attr store1 < 2.887 and attr store1 > 2.827 ) and 
      (bondedto (attr store1 < 134.455083947  and attr store1 > 133.655083947 ) or 
       bondedto (attr store1 < 38.9696386844  and attr store1 > 38.1696386844 ))) 
6 0.1 0.1 peak 1733 volume 55.69936 ppm1 2.857 ppm2 3.211
 
! ############### C13_CNnoesy_manual.1734 folded -
assi (attr store1 < 8.325 and attr store1 > 8.225 )
     ((attr store1 < 2.877 and attr store1 > 2.817 ) and 
      (bondedto (attr store1 < 134.462083947  and attr store1 > 133.662083947 ) or 
       bondedto (attr store1 < 38.9766386844  and attr store1 > 38.1766386844 ))) 
6 0.1 0.1 peak 1734 volume 9.95086 ppm1 2.847 ppm2 8.275
 
! ############### C13_CNnoesy_manual.1735 folded -
assi (attr store1 < 3.864 and attr store1 > 3.764 )
     ((attr store1 < 1.737 and attr store1 > 1.677 ) and 
      (bondedto (attr store1 < 134.458083947  and attr store1 > 133.658083947 ) or 
       bondedto (attr store1 < 38.9726386844  and attr store1 > 38.1726386844 ))) 
6 0.1 0.1 peak 1735 volume 6.43608 ppm1 1.707 ppm2 3.814
 
! ############### C13_CNnoesy_manual.1736 folded +
assi (attr store1 < 7.502 and attr store1 > 7.402 )
     ((attr store1 < 4.678 and attr store1 > 4.618 ) and 
      (bondedto (attr store1 < 110.483722631  and attr store1 > 109.683722631 ) or 
       bondedto (attr store1 < 62.741  and attr store1 > 61.941 ) or 
       bondedto (attr store1 < 14.9982773688  and attr store1 > 14.1982773688 ))) 
6 0.1 0.1 peak 1736 volume 23.88347 ppm1 4.648 ppm2 7.452
 
! ############### C13_CNnoesy_manual.1737 folded +
assi (attr store1 < 5.496 and attr store1 > 5.396 )
     ((attr store1 < 4.675 and attr store1 > 4.615 ) and 
      (bondedto (attr store1 < 110.484722631  and attr store1 > 109.684722631 ) or 
       bondedto (attr store1 < 62.742  and attr store1 > 61.942 ) or 
       bondedto (attr store1 < 14.9992773688  and attr store1 > 14.1992773688 ))) 
6 0.1 0.1 peak 1737 volume 7.49851 ppm1 4.645 ppm2 5.446
 
! ############### C13_CNnoesy_manual.1738 folded +
assi (attr store1 < 8.512 and attr store1 > 8.412 )
     ((attr store1 < 0.916 and attr store1 > 0.856 ) and 
      (bondedto (attr store1 < 110.508722631  and attr store1 > 109.708722631 ) or 
       bondedto (attr store1 < 62.766  and attr store1 > 61.966 ) or 
       bondedto (attr store1 < 15.0232773688  and attr store1 > 14.2232773688 ))) 
6 0.1 0.1 peak 1738 volume 10.60259 ppm1 0.886 ppm2 8.462
 
! ############### C13_CNnoesy_manual.1739 folded +
assi (attr store1 < 8.229 and attr store1 > 8.129 )
     ((attr store1 < 0.915 and attr store1 > 0.855 ) and 
      (bondedto (attr store1 < 110.498722631  and attr store1 > 109.698722631 ) or 
       bondedto (attr store1 < 62.756  and attr store1 > 61.956 ) or 
       bondedto (attr store1 < 15.0132773688  and attr store1 > 14.2132773688 ))) 
6 0.1 0.1 peak 1739 volume 36.74794 ppm1 0.885 ppm2 8.179
 
! ############### C13_CNnoesy_manual.1740 folded +
assi (attr store1 < 8.078 and attr store1 > 7.978 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 110.525722631  and attr store1 > 109.725722631 ) or 
       bondedto (attr store1 < 62.783  and attr store1 > 61.983 ) or 
       bondedto (attr store1 < 15.0402773688  and attr store1 > 14.2402773688 ))) 
6 0.1 0.1 peak 1740 volume 7.66325 ppm1 0.888 ppm2 8.028
 
! ############### C13_CNnoesy_manual.1741 folded +
assi (attr store1 < 7.049 and attr store1 > 6.949 )
     ((attr store1 < 0.918 and attr store1 > 0.858 ) and 
      (bondedto (attr store1 < 110.479722631  and attr store1 > 109.679722631 ) or 
       bondedto (attr store1 < 62.737  and attr store1 > 61.937 ) or 
       bondedto (attr store1 < 14.9942773688  and attr store1 > 14.1942773688 ))) 
6 0.1 0.1 peak 1741 volume 6.46723 ppm1 0.888 ppm2 6.999
 
! ############### C13_CNnoesy_manual.1742 folded +
assi (attr store1 < 6.799 and attr store1 > 6.699 )
     ((attr store1 < 0.919 and attr store1 > 0.859 ) and 
      (bondedto (attr store1 < 110.469722631  and attr store1 > 109.669722631 ) or 
       bondedto (attr store1 < 62.727  and attr store1 > 61.927 ) or 
       bondedto (attr store1 < 14.9842773688  and attr store1 > 14.1842773688 ))) 
6 0.1 0.1 peak 1742 volume 5.79185 ppm1 0.889 ppm2 6.749
 
! ############### C13_CNnoesy_manual.1743 folded +
assi (attr store1 < 4.887 and attr store1 > 4.787 )
     ((attr store1 < 0.915 and attr store1 > 0.855 ) and 
      (bondedto (attr store1 < 110.467722631  and attr store1 > 109.667722631 ) or 
       bondedto (attr store1 < 62.725  and attr store1 > 61.925 ) or 
       bondedto (attr store1 < 14.9822773688  and attr store1 > 14.1822773688 ))) 
6 0.1 0.1 peak 1743 volume 10.69327 ppm1 0.885 ppm2 4.837
 
! ############### C13_CNnoesy_manual.1744 folded +
assi (attr store1 < 3.868 and attr store1 > 3.768 )
     ((attr store1 < 0.917 and attr store1 > 0.857 ) and 
      (bondedto (attr store1 < 110.496722631  and attr store1 > 109.696722631 ) or 
       bondedto (attr store1 < 62.754  and attr store1 > 61.954 ) or 
       bondedto (attr store1 < 15.0112773688  and attr store1 > 14.2112773688 ))) 
6 0.1 0.1 peak 1744 volume 26.30856 ppm1 0.887 ppm2 3.818
 
! ############### C13_CNnoesy_manual.1745 folded +
assi (attr store1 < 3.581 and attr store1 > 3.481 )
     ((attr store1 < 0.917 and attr store1 > 0.857 ) and 
      (bondedto (attr store1 < 110.502722631  and attr store1 > 109.702722631 ) or 
       bondedto (attr store1 < 62.76  and attr store1 > 61.96 ) or 
       bondedto (attr store1 < 15.0172773688  and attr store1 > 14.2172773688 ))) 
6 0.1 0.1 peak 1745 volume 37.81395 ppm1 0.887 ppm2 3.531
 
! ############### C13_CNnoesy_manual.1746 folded +
assi (attr store1 < 2.228 and attr store1 > 2.128 )
     ((attr store1 < 0.916 and attr store1 > 0.856 ) and 
      (bondedto (attr store1 < 110.497722631  and attr store1 > 109.697722631 ) or 
       bondedto (attr store1 < 62.755  and attr store1 > 61.955 ) or 
       bondedto (attr store1 < 15.0122773688  and attr store1 > 14.2122773688 ))) 
6 0.1 0.1 peak 1746 volume 93.44965 ppm1 0.886 ppm2 2.178
 
! ############### C13_CNnoesy_manual.1747 folded +
assi (attr store1 < 1.971 and attr store1 > 1.871 )
     ((attr store1 < 0.916 and attr store1 > 0.856 ) and 
      (bondedto (attr store1 < 110.496722631  and attr store1 > 109.696722631 ) or 
       bondedto (attr store1 < 62.754  and attr store1 > 61.954 ) or 
       bondedto (attr store1 < 15.0112773688  and attr store1 > 14.2112773688 ))) 
6 0.1 0.1 peak 1747 volume 176.09546 ppm1 0.886 ppm2 1.921
 
! ############### C13_CNnoesy_manual.1748 folded +
assi (attr store1 < 1.256 and attr store1 > 1.156 )
     ((attr store1 < 0.916 and attr store1 > 0.856 ) and 
      (bondedto (attr store1 < 110.503722631  and attr store1 > 109.703722631 ) or 
       bondedto (attr store1 < 62.761  and attr store1 > 61.961 ) or 
       bondedto (attr store1 < 15.0182773688  and attr store1 > 14.2182773688 ))) 
6 0.1 0.1 peak 1748 volume 131.07620 ppm1 0.886 ppm2 1.206
 
! ############### C13_CNnoesy_manual.1749 folded +
assi (attr store1 < 0.937 and attr store1 > 0.837 )
     ((attr store1 < 0.916 and attr store1 > 0.856 ) and 
      (bondedto (attr store1 < 110.490722631  and attr store1 > 109.690722631 ) or 
       bondedto (attr store1 < 62.748  and attr store1 > 61.948 ) or 
       bondedto (attr store1 < 15.0052773688  and attr store1 > 14.2052773688 ))) 
6 0.1 0.1 peak 1749 volume 2945.09619 ppm1 0.886 ppm2 0.887
 
! ############### C13_CNnoesy_manual.1750 folded +
assi (attr store1 < 0.771 and attr store1 > 0.671 )
     ((attr store1 < 0.915 and attr store1 > 0.855 ) and 
      (bondedto (attr store1 < 110.477722631  and attr store1 > 109.677722631 ) or 
       bondedto (attr store1 < 62.735  and attr store1 > 61.935 ) or 
       bondedto (attr store1 < 14.9922773688  and attr store1 > 14.1922773688 ))) 
6 0.1 0.1 peak 1750 volume 68.68367 ppm1 0.885 ppm2 0.721
 
! ############### C13_CNnoesy_manual.1751 folded -
assi (attr store1 < 1.616 and attr store1 > 1.516 )
     ((attr store1 < 2.883 and attr store1 > 2.823 ) and 
      (bondedto (attr store1 < 134.427083947  and attr store1 > 133.627083947 ) or 
       bondedto (attr store1 < 38.9416386844  and attr store1 > 38.1416386844 ))) 
6 0.1 0.1 peak 1751 volume 20.03434 ppm1 2.853 ppm2 1.566
 
! ############### C13_CNnoesy_manual.1752 folded -
assi (attr store1 < 8.74 and attr store1 > 8.64 )
     ((attr store1 < 2.119 and attr store1 > 2.059 ) and 
      (bondedto (attr store1 < 134.340083947  and attr store1 > 133.540083947 ) or 
       bondedto (attr store1 < 38.8546386844  and attr store1 > 38.0546386844 ))) 
6 0.1 0.1 peak 1752 volume 39.88562 ppm1 2.089 ppm2 8.690
 
! ############### C13_CNnoesy_manual.1753 folded -
assi (attr store1 < 7.274 and attr store1 > 7.174 )
     ((attr store1 < 1.736 and attr store1 > 1.676 ) and 
      (bondedto (attr store1 < 134.356083947  and attr store1 > 133.556083947 ) or 
       bondedto (attr store1 < 38.8706386844  and attr store1 > 38.0706386844 ))) 
6 0.1 0.1 peak 1753 volume 28.92956 ppm1 1.706 ppm2 7.224
 
! ############### C13_CNnoesy_manual.1754 folded -
assi (attr store1 < 4.158 and attr store1 > 4.058 )
     ((attr store1 < 1.738 and attr store1 > 1.678 ) and 
      (bondedto (attr store1 < 134.351083947  and attr store1 > 133.551083947 ) or 
       bondedto (attr store1 < 38.8656386844  and attr store1 > 38.0656386844 ))) 
6 0.1 0.1 peak 1754 volume 12.68303 ppm1 1.708 ppm2 4.108
 
! ############### C13_CNnoesy_manual.1755 folded -
assi (attr store1 < 2.345 and attr store1 > 2.245 )
     ((attr store1 < 1.738 and attr store1 > 1.678 ) and 
      (bondedto (attr store1 < 134.352083947  and attr store1 > 133.552083947 ) or 
       bondedto (attr store1 < 38.8666386844  and attr store1 > 38.0666386844 ))) 
6 0.1 0.1 peak 1755 volume 18.50382 ppm1 1.708 ppm2 2.295
 
! ############### C13_CNnoesy_manual.1756 folded -
assi (attr store1 < 1.756 and attr store1 > 1.656 )
     ((attr store1 < 1.737 and attr store1 > 1.677 ) and 
      (bondedto (attr store1 < 134.340083947  and attr store1 > 133.540083947 ) or 
       bondedto (attr store1 < 38.8546386844  and attr store1 > 38.0546386844 ))) 
6 0.1 0.1 peak 1756 volume 200.09615 ppm1 1.707 ppm2 1.706
 
! ############### C13_CNnoesy_manual.1757 folded -
assi (attr store1 < 0.796 and attr store1 > 0.696 )
     ((attr store1 < 1.736 and attr store1 > 1.676 ) and 
      (bondedto (attr store1 < 134.344083947  and attr store1 > 133.544083947 ) or 
       bondedto (attr store1 < 38.8586386844  and attr store1 > 38.0586386844 ))) 
6 0.1 0.1 peak 1757 volume 76.90566 ppm1 1.706 ppm2 0.746
 
! ############### C13_CNnoesy_manual.1758 folded -
assi (attr store1 < 0.129 and attr store1 > 0.029 )
     ((attr store1 < 1.736 and attr store1 > 1.676 ) and 
      (bondedto (attr store1 < 134.369083947  and attr store1 > 133.569083947 ) or 
       bondedto (attr store1 < 38.8836386844  and attr store1 > 38.0836386844 ))) 
6 0.1 0.1 peak 1758 volume 37.52955 ppm1 1.706 ppm2 0.079
 
! ############### C13_CNnoesy_manual.1759 folded +
assi (attr store1 < 8.218 and attr store1 > 8.118 )
     ((attr store1 < 4.686 and attr store1 > 4.626 ) and 
      (bondedto (attr store1 < 110.379722631  and attr store1 > 109.579722631 ) or 
       bondedto (attr store1 < 62.637  and attr store1 > 61.837 ) or 
       bondedto (attr store1 < 14.8942773688  and attr store1 > 14.0942773688 ))) 
6 0.1 0.1 peak 1759 volume 8.13662 ppm1 4.656 ppm2 8.168
 
! ############### C13_CNnoesy_manual.1760 folded +
assi (attr store1 < 7.831 and attr store1 > 7.731 )
     ((attr store1 < 4.68 and attr store1 > 4.62 ) and 
      (bondedto (attr store1 < 110.394722631  and attr store1 > 109.594722631 ) or 
       bondedto (attr store1 < 62.652  and attr store1 > 61.852 ) or 
       bondedto (attr store1 < 14.9092773688  and attr store1 > 14.1092773688 ))) 
6 0.1 0.1 peak 1760 volume 13.89917 ppm1 4.650 ppm2 7.781
 
! ############### C13_CNnoesy_manual.1761 folded +
assi (attr store1 < 2.322 and attr store1 > 2.222 )
     ((attr store1 < 4.679 and attr store1 > 4.619 ) and 
      (bondedto (attr store1 < 110.420722631  and attr store1 > 109.620722631 ) or 
       bondedto (attr store1 < 62.678  and attr store1 > 61.878 ) or 
       bondedto (attr store1 < 14.9352773688  and attr store1 > 14.1352773688 ))) 
6 0.1 0.1 peak 1761 volume 24.30896 ppm1 4.649 ppm2 2.272
 
! ############### C13_CNnoesy_manual.1762 folded +
assi (attr store1 < 0.944 and attr store1 > 0.844 )
     ((attr store1 < 4.68 and attr store1 > 4.62 ) and 
      (bondedto (attr store1 < 110.433722631  and attr store1 > 109.633722631 ) or 
       bondedto (attr store1 < 62.691  and attr store1 > 61.891 ) or 
       bondedto (attr store1 < 14.9482773688  and attr store1 > 14.1482773688 ))) 
6 0.1 0.1 peak 1762 volume 27.10759 ppm1 4.650 ppm2 0.894
 
! ############### C13_CNnoesy_manual.1763 folded +
assi (attr store1 < 9.631 and attr store1 > 9.531 )
     ((attr store1 < 4.678 and attr store1 > 4.618 ) and 
      (bondedto (attr store1 < 110.463722631  and attr store1 > 109.663722631 ) or 
       bondedto (attr store1 < 62.721  and attr store1 > 61.921 ) or 
       bondedto (attr store1 < 14.9782773688  and attr store1 > 14.1782773688 ))) 
6 0.1 0.1 peak 1763 volume 81.54427 ppm1 4.648 ppm2 9.581
 
! ############### C13_CNnoesy_manual.1764 folded +
assi (attr store1 < 4.698 and attr store1 > 4.598 )
     ((attr store1 < 4.678 and attr store1 > 4.618 ) and 
      (bondedto (attr store1 < 110.444722631  and attr store1 > 109.644722631 ) or 
       bondedto (attr store1 < 62.702  and attr store1 > 61.902 ) or 
       bondedto (attr store1 < 14.9592773688  and attr store1 > 14.1592773688 ))) 
6 0.1 0.1 peak 1764 volume 298.01672 ppm1 4.648 ppm2 4.648
 
! ############### C13_CNnoesy_manual.1765 folded +
assi (attr store1 < 3.083 and attr store1 > 2.983 )
     ((attr store1 < 4.677 and attr store1 > 4.617 ) and 
      (bondedto (attr store1 < 110.424722631  and attr store1 > 109.624722631 ) or 
       bondedto (attr store1 < 62.682  and attr store1 > 61.882 ) or 
       bondedto (attr store1 < 14.9392773688  and attr store1 > 14.1392773688 ))) 
6 0.1 0.1 peak 1765 volume 15.18711 ppm1 4.647 ppm2 3.033
 
! ############### C13_CNnoesy_manual.1766 folded +
assi (attr store1 < 2.569 and attr store1 > 2.469 )
     ((attr store1 < 4.678 and attr store1 > 4.618 ) and 
      (bondedto (attr store1 < 110.438722631  and attr store1 > 109.638722631 ) or 
       bondedto (attr store1 < 62.696  and attr store1 > 61.896 ) or 
       bondedto (attr store1 < 14.9532773688  and attr store1 > 14.1532773688 ))) 
6 0.1 0.1 peak 1766 volume 48.81154 ppm1 4.648 ppm2 2.519
 
! ############### C13_CNnoesy_manual.1767 folded +
assi (attr store1 < 1.969 and attr store1 > 1.869 )
     ((attr store1 < 4.677 and attr store1 > 4.617 ) and 
      (bondedto (attr store1 < 110.453722631  and attr store1 > 109.653722631 ) or 
       bondedto (attr store1 < 62.711  and attr store1 > 61.911 ) or 
       bondedto (attr store1 < 14.9682773688  and attr store1 > 14.1682773688 ))) 
6 0.1 0.1 peak 1767 volume 38.78382 ppm1 4.647 ppm2 1.919
 
! ############### C13_CNnoesy_manual.1768 folded +
assi (attr store1 < 1.833 and attr store1 > 1.733 )
     ((attr store1 < 1.558 and attr store1 > 1.498 ) and 
      (bondedto (attr store1 < 110.376722631  and attr store1 > 109.576722631 ) or 
       bondedto (attr store1 < 62.634  and attr store1 > 61.834 ) or 
       bondedto (attr store1 < 14.8912773688  and attr store1 > 14.0912773688 ))) 
6 0.1 0.1 peak 1768 volume 6.47215 ppm1 1.528 ppm2 1.783
 
! ############### C13_CNnoesy_manual.1769 folded -
assi (attr store1 < 3.15 and attr store1 > 3.05 )
     ((attr store1 < 3.126 and attr store1 > 3.066 ) and 
      (bondedto (attr store1 < 134.279083947  and attr store1 > 133.479083947 ) or 
       bondedto (attr store1 < 38.7936386844  and attr store1 > 37.9936386844 ))) 
6 0.1 0.1 peak 1769 volume 88.84888 ppm1 3.096 ppm2 3.100
 
! ############### C13_CNnoesy_manual.1770 folded -
assi (attr store1 < 2.091 and attr store1 > 1.991 )
     ((attr store1 < 2.957 and attr store1 > 2.897 ) and 
      (bondedto (attr store1 < 134.262083947  and attr store1 > 133.462083947 ) or 
       bondedto (attr store1 < 38.7766386844  and attr store1 > 37.9766386844 ))) 
6 0.1 0.1 peak 1770 volume 19.49475 ppm1 2.927 ppm2 2.041
 
! ############### C13_CNnoesy_manual.1771 folded -
assi (attr store1 < 1.82 and attr store1 > 1.72 )
     ((attr store1 < 2.955 and attr store1 > 2.895 ) and 
      (bondedto (attr store1 < 134.246083947  and attr store1 > 133.446083947 ) or 
       bondedto (attr store1 < 38.7606386844  and attr store1 > 37.9606386844 ))) 
6 0.1 0.1 peak 1771 volume 15.61304 ppm1 2.925 ppm2 1.770
 
! ############### C13_CNnoesy_manual.1772 folded -
assi (attr store1 < 1.618 and attr store1 > 1.518 )
     ((attr store1 < 2.955 and attr store1 > 2.895 ) and 
      (bondedto (attr store1 < 134.285083947  and attr store1 > 133.485083947 ) or 
       bondedto (attr store1 < 38.7996386844  and attr store1 > 37.9996386844 ))) 
6 0.1 0.1 peak 1772 volume 24.87209 ppm1 2.925 ppm2 1.568
 
! ############### C13_CNnoesy_manual.1773 folded -
assi (attr store1 < 1.084 and attr store1 > 0.984 )
     ((attr store1 < 2.955 and attr store1 > 2.895 ) and 
      (bondedto (attr store1 < 134.254083947  and attr store1 > 133.454083947 ) or 
       bondedto (attr store1 < 38.7686386844  and attr store1 > 37.9686386844 ))) 
6 0.1 0.1 peak 1773 volume 14.28649 ppm1 2.925 ppm2 1.034
 
! ############### C13_CNnoesy_manual.1774 folded -
assi (attr store1 < 8.062 and attr store1 > 7.962 )
     ((attr store1 < 2.119 and attr store1 > 2.059 ) and 
      (bondedto (attr store1 < 134.279083947  and attr store1 > 133.479083947 ) or 
       bondedto (attr store1 < 38.7936386844  and attr store1 > 37.9936386844 ))) 
6 0.1 0.1 peak 1774 volume 26.87499 ppm1 2.089 ppm2 8.012
 
! ############### C13_CNnoesy_manual.1775 folded -
assi (attr store1 < 4.261 and attr store1 > 4.161 )
     ((attr store1 < 2.12 and attr store1 > 2.06 ) and 
      (bondedto (attr store1 < 134.303083947  and attr store1 > 133.503083947 ) or 
       bondedto (attr store1 < 38.8176386844  and attr store1 > 38.0176386844 ))) 
6 0.1 0.1 peak 1775 volume 31.03254 ppm1 2.090 ppm2 4.211
 
! ############### C13_CNnoesy_manual.1776 folded -
assi (attr store1 < 2.972 and attr store1 > 2.872 )
     ((attr store1 < 2.118 and attr store1 > 2.058 ) and 
      (bondedto (attr store1 < 134.266083947  and attr store1 > 133.466083947 ) or 
       bondedto (attr store1 < 38.7806386844  and attr store1 > 37.9806386844 ))) 
6 0.1 0.1 peak 1776 volume 8.21613 ppm1 2.088 ppm2 2.922
 
! ############### C13_CNnoesy_manual.1777 folded -
assi (attr store1 < 2.14 and attr store1 > 2.04 )
     ((attr store1 < 2.12 and attr store1 > 2.06 ) and 
      (bondedto (attr store1 < 134.268083947  and attr store1 > 133.468083947 ) or 
       bondedto (attr store1 < 38.7826386844  and attr store1 > 37.9826386844 ))) 
6 0.1 0.1 peak 1777 volume 219.9724 ppm1 2.090 ppm2 2.090
 
! ############### C13_CNnoesy_manual.1778 folded -
assi (attr store1 < 1.082 and attr store1 > 0.982 )
     ((attr store1 < 2.119 and attr store1 > 2.059 ) and 
      (bondedto (attr store1 < 134.302083947  and attr store1 > 133.502083947 ) or 
       bondedto (attr store1 < 38.8166386844  and attr store1 > 38.0166386844 ))) 
6 0.1 0.1 peak 1778 volume 55.11036 ppm1 2.089 ppm2 1.032
 
! ############### C13_CNnoesy_manual.1779 folded -
assi (attr store1 < 1.4 and attr store1 > 1.3 )
     ((attr store1 < 1.737 and attr store1 > 1.677 ) and 
      (bondedto (attr store1 < 134.322083947  and attr store1 > 133.522083947 ) or 
       bondedto (attr store1 < 38.8366386844  and attr store1 > 38.0366386844 ))) 
6 0.1 0.1 peak 1779 volume 15.9092 ppm1 1.707 ppm2 1.350
 
! ############### C13_CNnoesy_manual.1780 folded +
assi (attr store1 < 9.627 and attr store1 > 9.527 )
     ((attr store1 < 0.977 and attr store1 > 0.917 ) and 
      (bondedto (attr store1 < 110.339722631  and attr store1 > 109.539722631 ) or 
       bondedto (attr store1 < 62.597  and attr store1 > 61.797 ) or 
       bondedto (attr store1 < 14.8542773688  and attr store1 > 14.0542773688 ))) 
6 0.1 0.1 peak 1780 volume 9.11431 ppm1 0.947 ppm2 9.577
 
! ############### C13_CNnoesy_manual.1781 folded +
assi (attr store1 < 9.264 and attr store1 > 9.164 )
     ((attr store1 < 0.977 and attr store1 > 0.917 ) and 
      (bondedto (attr store1 < 110.352722631  and attr store1 > 109.552722631 ) or 
       bondedto (attr store1 < 62.61  and attr store1 > 61.81 ) or 
       bondedto (attr store1 < 14.8672773688  and attr store1 > 14.0672773688 ))) 
6 0.1 0.1 peak 1781 volume 7.54367 ppm1 0.947 ppm2 9.214
 
! ############### C13_CNnoesy_manual.1782 folded +
assi (attr store1 < 8.226 and attr store1 > 8.126 )
     ((attr store1 < 0.971 and attr store1 > 0.911 ) and 
      (bondedto (attr store1 < 110.353722631  and attr store1 > 109.553722631 ) or 
       bondedto (attr store1 < 62.611  and attr store1 > 61.811 ) or 
       bondedto (attr store1 < 14.8682773688  and attr store1 > 14.0682773688 ))) 
6 0.1 0.1 peak 1782 volume 13.86312 ppm1 0.941 ppm2 8.176
 
! ############### C13_CNnoesy_manual.1783 folded +
assi (attr store1 < 7.363 and attr store1 > 7.263 )
     ((attr store1 < 0.974 and attr store1 > 0.914 ) and 
      (bondedto (attr store1 < 110.346722631  and attr store1 > 109.546722631 ) or 
       bondedto (attr store1 < 62.604  and attr store1 > 61.804 ) or 
       bondedto (attr store1 < 14.8612773688  and attr store1 > 14.0612773688 ))) 
6 0.1 0.1 peak 1783 volume 21.76287 ppm1 0.944 ppm2 7.313
 
! ############### C13_CNnoesy_manual.1784 folded +
assi (attr store1 < 7.077 and attr store1 > 6.977 )
     ((attr store1 < 0.974 and attr store1 > 0.914 ) and 
      (bondedto (attr store1 < 110.349722631  and attr store1 > 109.549722631 ) or 
       bondedto (attr store1 < 62.607  and attr store1 > 61.807 ) or 
       bondedto (attr store1 < 14.8642773688  and attr store1 > 14.0642773688 ))) 
6 0.1 0.1 peak 1784 volume 11.57481 ppm1 0.944 ppm2 7.027
 
! ############### C13_CNnoesy_manual.1785 folded +
assi (attr store1 < 5.523 and attr store1 > 5.423 )
     ((attr store1 < 0.976 and attr store1 > 0.916 ) and 
      (bondedto (attr store1 < 110.360722631  and attr store1 > 109.560722631 ) or 
       bondedto (attr store1 < 62.618  and attr store1 > 61.818 ) or 
       bondedto (attr store1 < 14.8752773688  and attr store1 > 14.0752773688 ))) 
6 0.1 0.1 peak 1785 volume 10.03952 ppm1 0.946 ppm2 5.473
 
! ############### C13_CNnoesy_manual.1786 folded +
assi (attr store1 < 4.887 and attr store1 > 4.787 )
     ((attr store1 < 0.973 and attr store1 > 0.913 ) and 
      (bondedto (attr store1 < 110.351722631  and attr store1 > 109.551722631 ) or 
       bondedto (attr store1 < 62.609  and attr store1 > 61.809 ) or 
       bondedto (attr store1 < 14.8662773688  and attr store1 > 14.0662773688 ))) 
6 0.1 0.1 peak 1786 volume 24.66079 ppm1 0.943 ppm2 4.837
 
! ############### C13_CNnoesy_manual.1787 folded +
assi (attr store1 < 4.137 and attr store1 > 4.037 )
     ((attr store1 < 0.973 and attr store1 > 0.913 ) and 
      (bondedto (attr store1 < 110.330722631  and attr store1 > 109.530722631 ) or 
       bondedto (attr store1 < 62.588  and attr store1 > 61.788 ) or 
       bondedto (attr store1 < 14.8452773688  and attr store1 > 14.0452773688 ))) 
6 0.1 0.1 peak 1787 volume 35.68341 ppm1 0.943 ppm2 4.087
 
! ############### C13_CNnoesy_manual.1788 folded +
assi (attr store1 < 3.04 and attr store1 > 2.94 )
     ((attr store1 < 0.976 and attr store1 > 0.916 ) and 
      (bondedto (attr store1 < 110.354722631  and attr store1 > 109.554722631 ) or 
       bondedto (attr store1 < 62.612  and attr store1 > 61.812 ) or 
       bondedto (attr store1 < 14.8692773688  and attr store1 > 14.0692773688 ))) 
6 0.1 0.1 peak 1788 volume 24.69890 ppm1 0.946 ppm2 2.990
 
! ############### C13_CNnoesy_manual.1789 folded +
assi (attr store1 < 1.931 and attr store1 > 1.831 )
     ((attr store1 < 0.975 and attr store1 > 0.915 ) and 
      (bondedto (attr store1 < 110.349722631  and attr store1 > 109.549722631 ) or 
       bondedto (attr store1 < 62.607  and attr store1 > 61.807 ) or 
       bondedto (attr store1 < 14.8642773688  and attr store1 > 14.0642773688 ))) 
6 0.1 0.1 peak 1789 volume 82.49801 ppm1 0.945 ppm2 1.881
 
! ############### C13_CNnoesy_manual.1790 folded +
assi (attr store1 < 1.824 and attr store1 > 1.724 )
     ((attr store1 < 0.975 and attr store1 > 0.915 ) and 
      (bondedto (attr store1 < 110.343722631  and attr store1 > 109.543722631 ) or 
       bondedto (attr store1 < 62.601  and attr store1 > 61.801 ) or 
       bondedto (attr store1 < 14.8582773688  and attr store1 > 14.0582773688 ))) 
6 0.1 0.1 peak 1790 volume 80.33886 ppm1 0.945 ppm2 1.774
 
! ############### C13_CNnoesy_manual.1791 folded +
assi (attr store1 < 1.262 and attr store1 > 1.162 )
     ((attr store1 < 0.972 and attr store1 > 0.912 ) and 
      (bondedto (attr store1 < 110.360722631  and attr store1 > 109.560722631 ) or 
       bondedto (attr store1 < 62.618  and attr store1 > 61.818 ) or 
       bondedto (attr store1 < 14.8752773688  and attr store1 > 14.0752773688 ))) 
6 0.1 0.1 peak 1791 volume 32.50411 ppm1 0.942 ppm2 1.212
 
! ############### C13_CNnoesy_manual.1792 folded +
assi (attr store1 < 0.993 and attr store1 > 0.893 )
     ((attr store1 < 0.974 and attr store1 > 0.914 ) and 
      (bondedto (attr store1 < 110.331722631  and attr store1 > 109.531722631 ) or 
       bondedto (attr store1 < 62.589  and attr store1 > 61.789 ) or 
       bondedto (attr store1 < 14.8462773688  and attr store1 > 14.0462773688 ))) 
6 0.1 0.1 peak 1792 volume 2805.81128 ppm1 0.944 ppm2 0.943
 
! ############### C13_CNnoesy_manual.1793 folded +
assi (attr store1 < 0.694 and attr store1 > 0.594 )
     ((attr store1 < 0.975 and attr store1 > 0.915 ) and 
      (bondedto (attr store1 < 110.339722631  and attr store1 > 109.539722631 ) or 
       bondedto (attr store1 < 62.597  and attr store1 > 61.797 ) or 
       bondedto (attr store1 < 14.8542773688  and attr store1 > 14.0542773688 ))) 
6 0.1 0.1 peak 1793 volume 161.26797 ppm1 0.945 ppm2 0.644
 
! ############### C13_CNnoesy_manual.1794 folded +
assi (attr store1 < 8.518 and attr store1 > 8.418 )
     ((attr store1 < 0.966 and attr store1 > 0.906 ) and 
      (bondedto (attr store1 < 110.340722631  and attr store1 > 109.540722631 ) or 
       bondedto (attr store1 < 62.598  and attr store1 > 61.798 ) or 
       bondedto (attr store1 < 14.8552773688  and attr store1 > 14.0552773688 ))) 
6 0.1 0.1 peak 1794 volume 7.45771 ppm1 0.936 ppm2 8.468
 
! ############### C13_CNnoesy_manual.1795 folded -
assi (attr store1 < 8.722 and attr store1 > 8.622 )
     ((attr store1 < 2.957 and attr store1 > 2.897 ) and 
      (bondedto (attr store1 < 134.193083947  and attr store1 > 133.393083947 ) or 
       bondedto (attr store1 < 38.7076386844  and attr store1 > 37.9076386844 ))) 
6 0.1 0.1 peak 1795 volume 8.8555 ppm1 2.927 ppm2 8.672
 
! ############### C13_CNnoesy_manual.1796 folded -
assi (attr store1 < 8.064 and attr store1 > 7.964 )
     ((attr store1 < 2.959 and attr store1 > 2.899 ) and 
      (bondedto (attr store1 < 134.218083947  and attr store1 > 133.418083947 ) or 
       bondedto (attr store1 < 38.7326386844  and attr store1 > 37.9326386844 ))) 
6 0.1 0.1 peak 1796 volume 123.69585 ppm1 2.929 ppm2 8.014
 
! ############### C13_CNnoesy_manual.1797 folded -
assi (attr store1 < 7.786 and attr store1 > 7.686 )
     ((attr store1 < 2.958 and attr store1 > 2.898 ) and 
      (bondedto (attr store1 < 134.212083947  and attr store1 > 133.412083947 ) or 
       bondedto (attr store1 < 38.7266386844  and attr store1 > 37.9266386844 ))) 
6 0.1 0.1 peak 1797 volume 10.92447 ppm1 2.928 ppm2 7.736
 
! ############### C13_CNnoesy_manual.1798 folded -
assi (attr store1 < 4.887 and attr store1 > 4.787 )
     ((attr store1 < 2.95 and attr store1 > 2.89 ) and 
      (bondedto (attr store1 < 134.182083947  and attr store1 > 133.382083947 ) or 
       bondedto (attr store1 < 38.6966386844  and attr store1 > 37.8966386844 ))) 
6 0.1 0.1 peak 1798 volume 29.79248 ppm1 2.920 ppm2 4.837
 
! ############### C13_CNnoesy_manual.1799 folded -
assi (attr store1 < 4.52 and attr store1 > 4.42 )
     ((attr store1 < 2.959 and attr store1 > 2.899 ) and 
      (bondedto (attr store1 < 134.233083947  and attr store1 > 133.433083947 ) or 
       bondedto (attr store1 < 38.7476386844  and attr store1 > 37.9476386844 ))) 
6 0.1 0.1 peak 1799 volume 91.35234 ppm1 2.929 ppm2 4.470
 
! ############### C13_CNnoesy_manual.1800 folded -
assi (attr store1 < 4.215 and attr store1 > 4.115 )
     ((attr store1 < 2.958 and attr store1 > 2.898 ) and 
      (bondedto (attr store1 < 134.238083947  and attr store1 > 133.438083947 ) or 
       bondedto (attr store1 < 38.7526386844  and attr store1 > 37.9526386844 ))) 
6 0.1 0.1 peak 1800 volume 53.07336 ppm1 2.928 ppm2 4.165
 
! ############### C13_CNnoesy_manual.1801 folded -
assi (attr store1 < 2.978 and attr store1 > 2.878 )
     ((attr store1 < 2.959 and attr store1 > 2.899 ) and 
      (bondedto (attr store1 < 134.214083947  and attr store1 > 133.414083947 ) or 
       bondedto (attr store1 < 38.7286386844  and attr store1 > 37.9286386844 ))) 
6 0.1 0.1 peak 1801 volume 1574.48682 ppm1 2.929 ppm2 2.928
 
! ############### C13_CNnoesy_manual.1802 folded -
assi (attr store1 < 3.533 and attr store1 > 3.433 )
     ((attr store1 < 2.118 and attr store1 > 2.058 ) and 
      (bondedto (attr store1 < 134.201083947  and attr store1 > 133.401083947 ) or 
       bondedto (attr store1 < 38.7156386844  and attr store1 > 37.9156386844 ))) 
6 0.1 0.1 peak 1802 volume 14.85269 ppm1 2.088 ppm2 3.483
 
! ############### C13_CNnoesy_manual.1803 folded -
assi (attr store1 < 1.578 and attr store1 > 1.478 )
     ((attr store1 < 2.117 and attr store1 > 2.057 ) and 
      (bondedto (attr store1 < 134.202083947  and attr store1 > 133.402083947 ) or 
       bondedto (attr store1 < 38.7166386844  and attr store1 > 37.9166386844 ))) 
6 0.1 0.1 peak 1803 volume 9.14275 ppm1 2.087 ppm2 1.528
 
! ############### C13_CNnoesy_manual.1804 folded -
assi (attr store1 < 0.948 and attr store1 > 0.848 )
     ((attr store1 < 2.119 and attr store1 > 2.059 ) and 
      (bondedto (attr store1 < 134.150083947  and attr store1 > 133.350083947 ) or 
       bondedto (attr store1 < 38.6646386844  and attr store1 > 37.8646386844 ))) 
6 0.1 0.1 peak 1804 volume 69.81594 ppm1 2.089 ppm2 0.898
 
! ############### C13_CNnoesy_manual.1805 folded +
assi (attr store1 < 8.697 and attr store1 > 8.597 )
     ((attr store1 < 4.067 and attr store1 > 4.007 ) and 
      (bondedto (attr store1 < 110.152722631  and attr store1 > 109.352722631 ) or 
       bondedto (attr store1 < 62.41  and attr store1 > 61.61 ) or 
       bondedto (attr store1 < 14.6672773688  and attr store1 > 13.8672773688 ))) 
6 0.1 0.1 peak 1805 volume 6.28580 ppm1 4.037 ppm2 8.647
 
! ############### C13_CNnoesy_manual.1806 folded +
assi (attr store1 < 8.518 and attr store1 > 8.418 )
     ((attr store1 < 4.066 and attr store1 > 4.006 ) and 
      (bondedto (attr store1 < 110.174722631  and attr store1 > 109.374722631 ) or 
       bondedto (attr store1 < 62.432  and attr store1 > 61.632 ) or 
       bondedto (attr store1 < 14.6892773688  and attr store1 > 13.8892773688 ))) 
6 0.1 0.1 peak 1806 volume 19.29723 ppm1 4.036 ppm2 8.468
 
! ############### C13_CNnoesy_manual.1807 folded +
assi (attr store1 < 8.053 and attr store1 > 7.953 )
     ((attr store1 < 4.066 and attr store1 > 4.006 ) and 
      (bondedto (attr store1 < 110.154722631  and attr store1 > 109.354722631 ) or 
       bondedto (attr store1 < 62.412  and attr store1 > 61.612 ) or 
       bondedto (attr store1 < 14.6692773688  and attr store1 > 13.8692773688 ))) 
6 0.1 0.1 peak 1807 volume 31.85578 ppm1 4.036 ppm2 8.003
 
! ############### C13_CNnoesy_manual.1808 folded +
assi (attr store1 < 2.284 and attr store1 > 2.184 )
     ((attr store1 < 4.065 and attr store1 > 4.005 ) and 
      (bondedto (attr store1 < 110.129722631  and attr store1 > 109.329722631 ) or 
       bondedto (attr store1 < 62.387  and attr store1 > 61.587 ) or 
       bondedto (attr store1 < 14.6442773688  and attr store1 > 13.8442773688 ))) 
6 0.1 0.1 peak 1808 volume 37.86767 ppm1 4.035 ppm2 2.234
 
! ############### C13_CNnoesy_manual.1809 folded +
assi (attr store1 < 2.031 and attr store1 > 1.931 )
     ((attr store1 < 4.066 and attr store1 > 4.006 ) and 
      (bondedto (attr store1 < 110.122722631  and attr store1 > 109.322722631 ) or 
       bondedto (attr store1 < 62.38  and attr store1 > 61.58 ) or 
       bondedto (attr store1 < 14.6372773688  and attr store1 > 13.8372773688 ))) 
6 0.1 0.1 peak 1809 volume 55.48894 ppm1 4.036 ppm2 1.981
 
! ############### C13_CNnoesy_manual.1810 folded +
assi (attr store1 < 1.154 and attr store1 > 1.054 )
     ((attr store1 < 4.065 and attr store1 > 4.005 ) and 
      (bondedto (attr store1 < 110.137722631  and attr store1 > 109.337722631 ) or 
       bondedto (attr store1 < 62.395  and attr store1 > 61.595 ) or 
       bondedto (attr store1 < 14.6522773688  and attr store1 > 13.8522773688 ))) 
6 0.1 0.1 peak 1810 volume 52.43208 ppm1 4.035 ppm2 1.104
 
! ############### C13_CNnoesy_manual.1811 folded +
assi (attr store1 < 1.007 and attr store1 > 0.907 )
     ((attr store1 < 4.065 and attr store1 > 4.005 ) and 
      (bondedto (attr store1 < 110.114722631  and attr store1 > 109.314722631 ) or 
       bondedto (attr store1 < 62.372  and attr store1 > 61.572 ) or 
       bondedto (attr store1 < 14.6292773688  and attr store1 > 13.8292773688 ))) 
6 0.1 0.1 peak 1811 volume 32.01732 ppm1 4.035 ppm2 0.957
 
! ############### C13_CNnoesy_manual.1812 folded +
assi (attr store1 < 0.798 and attr store1 > 0.698 )
     ((attr store1 < 4.066 and attr store1 > 4.006 ) and 
      (bondedto (attr store1 < 110.124722631  and attr store1 > 109.324722631 ) or 
       bondedto (attr store1 < 62.382  and attr store1 > 61.582 ) or 
       bondedto (attr store1 < 14.6392773688  and attr store1 > 13.8392773688 ))) 
6 0.1 0.1 peak 1812 volume 86.28067 ppm1 4.036 ppm2 0.748
 
! ############### C13_CNnoesy_manual.1813 folded -
assi (attr store1 < 8.009 and attr store1 > 7.909 )
     ((attr store1 < 3.134 and attr store1 > 3.074 ) and 
      (bondedto (attr store1 < 134.021083947  and attr store1 > 133.221083947 ) or 
       bondedto (attr store1 < 38.5356386844  and attr store1 > 37.7356386844 ))) 
6 0.1 0.1 peak 1813 volume 17.2159 ppm1 3.104 ppm2 7.959
 
! ############### C13_CNnoesy_manual.1814 folded -
assi (attr store1 < 6.56 and attr store1 > 6.46 )
     ((attr store1 < 3.131 and attr store1 > 3.071 ) and 
      (bondedto (attr store1 < 134.003083947  and attr store1 > 133.203083947 ) or 
       bondedto (attr store1 < 38.5176386844  and attr store1 > 37.7176386844 ))) 
6 0.1 0.1 peak 1814 volume 7.13471 ppm1 3.101 ppm2 6.510
 
! ############### C13_CNnoesy_manual.1815 folded -
assi (attr store1 < 5.146 and attr store1 > 5.046 )
     ((attr store1 < 3.134 and attr store1 > 3.074 ) and 
      (bondedto (attr store1 < 134.005083947  and attr store1 > 133.205083947 ) or 
       bondedto (attr store1 < 38.5196386844  and attr store1 > 37.7196386844 ))) 
6 0.1 0.1 peak 1815 volume 14.24353 ppm1 3.104 ppm2 5.096
 
! ############### C13_CNnoesy_manual.1816 folded -
assi (attr store1 < 4.887 and attr store1 > 4.787 )
     ((attr store1 < 3.131 and attr store1 > 3.071 ) and 
      (bondedto (attr store1 < 134.036083947  and attr store1 > 133.236083947 ) or 
       bondedto (attr store1 < 38.5506386844  and attr store1 > 37.7506386844 ))) 
6 0.1 0.1 peak 1816 volume 18.48155 ppm1 3.101 ppm2 4.837
 
! ############### C13_CNnoesy_manual.1817 folded -
assi (attr store1 < 2.953 and attr store1 > 2.853 )
     ((attr store1 < 3.135 and attr store1 > 3.075 ) and 
      (bondedto (attr store1 < 133.999083947  and attr store1 > 133.199083947 ) or 
       bondedto (attr store1 < 38.5136386844  and attr store1 > 37.7136386844 ))) 
6 0.1 0.1 peak 1817 volume 116.14264 ppm1 3.105 ppm2 2.903
 
! ############### C13_CNnoesy_manual.1818 folded -
assi (attr store1 < 1.091 and attr store1 > 0.991 )
     ((attr store1 < 3.136 and attr store1 > 3.076 ) and 
      (bondedto (attr store1 < 134.009083947  and attr store1 > 133.209083947 ) or 
       bondedto (attr store1 < 38.5236386844  and attr store1 > 37.7236386844 ))) 
6 0.1 0.1 peak 1818 volume 9.46931 ppm1 3.106 ppm2 1.041
 
! ############### C13_CNnoesy_manual.1819 folded -
assi (attr store1 < 1.763 and attr store1 > 1.663 )
     ((attr store1 < 3.127 and attr store1 > 3.067 ) and 
      (bondedto (attr store1 < 133.988083947  and attr store1 > 133.188083947 ) or 
       bondedto (attr store1 < 38.5026386844  and attr store1 > 37.7026386844 ))) 
6 0.1 0.1 peak 1819 volume 9.66114 ppm1 3.097 ppm2 1.713
 
! ############### C13_CNnoesy_manual.1820 folded -
assi (attr store1 < 6.561 and attr store1 > 6.461 )
     ((attr store1 < 2.935 and attr store1 > 2.875 ) and 
      (bondedto (attr store1 < 133.986083947  and attr store1 > 133.186083947 ) or 
       bondedto (attr store1 < 38.5006386844  and attr store1 > 37.7006386844 ))) 
6 0.1 0.1 peak 1820 volume 8.80709 ppm1 2.905 ppm2 6.511
 
! ############### C13_CNnoesy_manual.1821 folded -
assi (attr store1 < 3.151 and attr store1 > 3.051 )
     ((attr store1 < 2.937 and attr store1 > 2.877 ) and 
      (bondedto (attr store1 < 134.037083947  and attr store1 > 133.237083947 ) or 
       bondedto (attr store1 < 38.5516386844  and attr store1 > 37.7516386844 ))) 
6 0.1 0.1 peak 1821 volume 128.47701 ppm1 2.907 ppm2 3.101
 
! ############### C13_CNnoesy_manual.1822 folded -
assi (attr store1 < 5.148 and attr store1 > 5.048 )
     ((attr store1 < 2.93 and attr store1 > 2.87 ) and 
      (bondedto (attr store1 < 133.998083947  and attr store1 > 133.198083947 ) or 
       bondedto (attr store1 < 38.5126386844  and attr store1 > 37.7126386844 ))) 
6 0.1 0.1 peak 1822 volume 18.55863 ppm1 2.900 ppm2 5.098
 
! ############### C13_CNnoesy_manual.1823 folded -
assi (attr store1 < 4.105 and attr store1 > 4.005 )
     ((attr store1 < 2.215 and attr store1 > 2.155 ) and 
      (bondedto (attr store1 < 134.002083947  and attr store1 > 133.202083947 ) or 
       bondedto (attr store1 < 38.5166386844  and attr store1 > 37.7166386844 ))) 
6 0.1 0.1 peak 1823 volume 6.80014 ppm1 2.185 ppm2 4.055
 
! ############### C13_CNnoesy_manual.1824 folded +
assi (attr store1 < 3.921 and attr store1 > 3.821 )
     ((attr store1 < 4.069 and attr store1 > 4.009 ) and 
      (bondedto (attr store1 < 110.027722631  and attr store1 > 109.227722631 ) or 
       bondedto (attr store1 < 62.285  and attr store1 > 61.485 ) or 
       bondedto (attr store1 < 14.5422773688  and attr store1 > 13.7422773688 ))) 
6 0.1 0.1 peak 1824 volume 19.33508 ppm1 4.039 ppm2 3.871
 
! ############### C13_CNnoesy_manual.1825 folded +
assi (attr store1 < 8.199 and attr store1 > 8.099 )
     ((attr store1 < 4.064 and attr store1 > 4.004 ) and 
      (bondedto (attr store1 < 110.035722631  and attr store1 > 109.235722631 ) or 
       bondedto (attr store1 < 62.293  and attr store1 > 61.493 ) or 
       bondedto (attr store1 < 14.5502773688  and attr store1 > 13.7502773688 ))) 
6 0.1 0.1 peak 1825 volume 15.17231 ppm1 4.034 ppm2 8.149
 
! ############### C13_CNnoesy_manual.1826 folded +
assi (attr store1 < 7.028 and attr store1 > 6.928 )
     ((attr store1 < 4.064 and attr store1 > 4.004 ) and 
      (bondedto (attr store1 < 110.010722631  and attr store1 > 109.210722631 ) or 
       bondedto (attr store1 < 62.268  and attr store1 > 61.468 ) or 
       bondedto (attr store1 < 14.5252773688  and attr store1 > 13.7252773688 ))) 
6 0.1 0.1 peak 1826 volume 32.63519 ppm1 4.034 ppm2 6.978
 
! ############### C13_CNnoesy_manual.1827 folded +
assi (attr store1 < 4.25 and attr store1 > 4.15 )
     ((attr store1 < 4.058 and attr store1 > 3.998 ) and 
      (bondedto (attr store1 < 110.083722631  and attr store1 > 109.283722631 ) or 
       bondedto (attr store1 < 62.341  and attr store1 > 61.541 ) or 
       bondedto (attr store1 < 14.5982773688  and attr store1 > 13.7982773688 ))) 
6 0.1 0.1 peak 1827 volume 24.23263 ppm1 4.028 ppm2 4.200
 
! ############### C13_CNnoesy_manual.1828 folded +
assi (attr store1 < 4.089 and attr store1 > 3.989 )
     ((attr store1 < 4.066 and attr store1 > 4.006 ) and 
      (bondedto (attr store1 < 110.089722631  and attr store1 > 109.289722631 ) or 
       bondedto (attr store1 < 62.347  and attr store1 > 61.547 ) or 
       bondedto (attr store1 < 14.6042773688  and attr store1 > 13.8042773688 ))) 
6 0.1 0.1 peak 1828 volume 692.18634 ppm1 4.036 ppm2 4.039
 
! ############### C13_CNnoesy_manual.1829 folded +
assi (attr store1 < 1.441 and attr store1 > 1.341 )
     ((attr store1 < 4.064 and attr store1 > 4.004 ) and 
      (bondedto (attr store1 < 110.001722631  and attr store1 > 109.201722631 ) or 
       bondedto (attr store1 < 62.259  and attr store1 > 61.459 ) or 
       bondedto (attr store1 < 14.5162773688  and attr store1 > 13.7162773688 ))) 
6 0.1 0.1 peak 1829 volume 51.74430 ppm1 4.034 ppm2 1.391
 
! ############### C13_CNnoesy_manual.1830 folded +
assi (attr store1 < 3.862 and attr store1 > 3.762 )
     ((attr store1 < 0.939 and attr store1 > 0.879 ) and 
      (bondedto (attr store1 < 110.087722631  and attr store1 > 109.287722631 ) or 
       bondedto (attr store1 < 62.345  and attr store1 > 61.545 ) or 
       bondedto (attr store1 < 14.6022773688  and attr store1 > 13.8022773688 ))) 
6 0.1 0.1 peak 1830 volume 17.18027 ppm1 0.909 ppm2 3.812
 
! ############### C13_CNnoesy_manual.1831 folded +
assi (attr store1 < 0.957 and attr store1 > 0.857 )
     ((attr store1 < 0.94 and attr store1 > 0.88 ) and 
      (bondedto (attr store1 < 110.041722631  and attr store1 > 109.241722631 ) or 
       bondedto (attr store1 < 62.299  and attr store1 > 61.499 ) or 
       bondedto (attr store1 < 14.5562773688  and attr store1 > 13.7562773688 ))) 
6 0.1 0.1 peak 1831 volume 2205.44385 ppm1 0.910 ppm2 0.907
 
! ############### C13_CNnoesy_manual.1832 folded -
assi (attr store1 < 8.519 and attr store1 > 8.419 )
     ((attr store1 < 2.219 and attr store1 > 2.159 ) and 
      (bondedto (attr store1 < 133.896083947  and attr store1 > 133.096083947 ) or 
       bondedto (attr store1 < 38.4106386844  and attr store1 > 37.6106386844 ))) 
6 0.1 0.1 peak 1832 volume 24.27516 ppm1 2.189 ppm2 8.469
 
! ############### C13_CNnoesy_manual.1833 folded -
assi (attr store1 < 8.225 and attr store1 > 8.125 )
     ((attr store1 < 2.22 and attr store1 > 2.16 ) and 
      (bondedto (attr store1 < 133.909083947  and attr store1 > 133.109083947 ) or 
       bondedto (attr store1 < 38.4236386844  and attr store1 > 37.6236386844 ))) 
6 0.1 0.1 peak 1833 volume 47.67157 ppm1 2.190 ppm2 8.175
 
! ############### C13_CNnoesy_manual.1834 folded -
assi (attr store1 < 8.074 and attr store1 > 7.974 )
     ((attr store1 < 2.217 and attr store1 > 2.157 ) and 
      (bondedto (attr store1 < 133.910083947  and attr store1 > 133.110083947 ) or 
       bondedto (attr store1 < 38.4246386844  and attr store1 > 37.6246386844 ))) 
6 0.1 0.1 peak 1834 volume 7.86171 ppm1 2.187 ppm2 8.024
 
! ############### C13_CNnoesy_manual.1835 folded -
assi (attr store1 < 3.866 and attr store1 > 3.766 )
     ((attr store1 < 2.22 and attr store1 > 2.16 ) and 
      (bondedto (attr store1 < 133.923083947  and attr store1 > 133.123083947 ) or 
       bondedto (attr store1 < 38.4376386844  and attr store1 > 37.6376386844 ))) 
6 0.1 0.1 peak 1835 volume 19.76744 ppm1 2.190 ppm2 3.816
 
! ############### C13_CNnoesy_manual.1836 folded -
assi (attr store1 < 3.583 and attr store1 > 3.483 )
     ((attr store1 < 2.22 and attr store1 > 2.16 ) and 
      (bondedto (attr store1 < 133.909083947  and attr store1 > 133.109083947 ) or 
       bondedto (attr store1 < 38.4236386844  and attr store1 > 37.6236386844 ))) 
6 0.1 0.1 peak 1836 volume 19.94503 ppm1 2.190 ppm2 3.533
 
! ############### C13_CNnoesy_manual.1837 folded -
assi (attr store1 < 2.238 and attr store1 > 2.138 )
     ((attr store1 < 2.22 and attr store1 > 2.16 ) and 
      (bondedto (attr store1 < 133.886083947  and attr store1 > 133.086083947 ) or 
       bondedto (attr store1 < 38.4006386844  and attr store1 > 37.6006386844 ))) 
6 0.1 0.1 peak 1837 volume 244.23865 ppm1 2.190 ppm2 2.188
 
! ############### C13_CNnoesy_manual.1838 folded -
assi (attr store1 < 1.963 and attr store1 > 1.863 )
     ((attr store1 < 2.22 and attr store1 > 2.16 ) and 
      (bondedto (attr store1 < 133.903083947  and attr store1 > 133.103083947 ) or 
       bondedto (attr store1 < 38.4176386844  and attr store1 > 37.6176386844 ))) 
6 0.1 0.1 peak 1838 volume 36.26035 ppm1 2.190 ppm2 1.913
 
! ############### C13_CNnoesy_manual.1839 folded -
assi (attr store1 < 1.261 and attr store1 > 1.161 )
     ((attr store1 < 2.217 and attr store1 > 2.157 ) and 
      (bondedto (attr store1 < 133.917083947  and attr store1 > 133.117083947 ) or 
       bondedto (attr store1 < 38.4316386844  and attr store1 > 37.6316386844 ))) 
6 0.1 0.1 peak 1839 volume 17.85386 ppm1 2.187 ppm2 1.211
 
! ############### C13_CNnoesy_manual.1840 folded -
assi (attr store1 < 1.094 and attr store1 > 0.994 )
     ((attr store1 < 2.219 and attr store1 > 2.159 ) and 
      (bondedto (attr store1 < 133.908083947  and attr store1 > 133.108083947 ) or 
       bondedto (attr store1 < 38.4226386844  and attr store1 > 37.6226386844 ))) 
6 0.1 0.1 peak 1840 volume 59.94011 ppm1 2.189 ppm2 1.044
 
! ############### C13_CNnoesy_manual.1841 folded -
assi (attr store1 < 0.939 and attr store1 > 0.839 )
     ((attr store1 < 2.219 and attr store1 > 2.159 ) and 
      (bondedto (attr store1 < 133.904083947  and attr store1 > 133.104083947 ) or 
       bondedto (attr store1 < 38.4186386844  and attr store1 > 37.6186386844 ))) 
6 0.1 0.1 peak 1841 volume 57.94396 ppm1 2.189 ppm2 0.889
 
! ############### C13_CNnoesy_manual.1842 folded +
assi (attr store1 < 4.154 and attr store1 > 4.054 )
     ((attr store1 < 4.125 and attr store1 > 4.065 ) and 
      (bondedto (attr store1 < 109.918722631  and attr store1 > 109.118722631 ) or 
       bondedto (attr store1 < 62.176  and attr store1 > 61.376 ) or 
       bondedto (attr store1 < 14.4332773688  and attr store1 > 13.6332773688 ))) 
6 0.1 0.1 peak 1842 volume 514.87329 ppm1 4.095 ppm2 4.104
 
! ############### C13_CNnoesy_manual.1843 folded +
assi (attr store1 < 1.637 and attr store1 > 1.537 )
     ((attr store1 < 4.129 and attr store1 > 4.069 ) and 
      (bondedto (attr store1 < 109.919722631  and attr store1 > 109.119722631 ) or 
       bondedto (attr store1 < 62.177  and attr store1 > 61.377 ) or 
       bondedto (attr store1 < 14.4342773688  and attr store1 > 13.6342773688 ))) 
6 0.1 0.1 peak 1843 volume 17.64777 ppm1 4.099 ppm2 1.587
 
! ############### C13_CNnoesy_manual.1844 folded +
assi (attr store1 < 7.892 and attr store1 > 7.792 )
     ((attr store1 < 4.065 and attr store1 > 4.005 ) and 
      (bondedto (attr store1 < 109.965722631  and attr store1 > 109.165722631 ) or 
       bondedto (attr store1 < 62.223  and attr store1 > 61.423 ) or 
       bondedto (attr store1 < 14.4802773688  and attr store1 > 13.6802773688 ))) 
6 0.1 0.1 peak 1844 volume 6.24026 ppm1 4.035 ppm2 7.842
 
! ############### C13_CNnoesy_manual.1845 folded +
assi (attr store1 < 3.348 and attr store1 > 3.248 )
     ((attr store1 < 4.066 and attr store1 > 4.006 ) and 
      (bondedto (attr store1 < 109.968722631  and attr store1 > 109.168722631 ) or 
       bondedto (attr store1 < 62.226  and attr store1 > 61.426 ) or 
       bondedto (attr store1 < 14.4832773688  and attr store1 > 13.6832773688 ))) 
6 0.1 0.1 peak 1845 volume 42.02603 ppm1 4.036 ppm2 3.298
 
! ############### C13_CNnoesy_manual.1846 folded +
assi (attr store1 < 3.091 and attr store1 > 2.991 )
     ((attr store1 < 4.065 and attr store1 > 4.005 ) and 
      (bondedto (attr store1 < 109.970722631  and attr store1 > 109.170722631 ) or 
       bondedto (attr store1 < 62.228  and attr store1 > 61.428 ) or 
       bondedto (attr store1 < 14.4852773688  and attr store1 > 13.6852773688 ))) 
6 0.1 0.1 peak 1846 volume 24.63235 ppm1 4.035 ppm2 3.041
 
! ############### C13_CNnoesy_manual.1847 folded +
assi (attr store1 < 4.474 and attr store1 > 4.374 )
     ((attr store1 < 0.943 and attr store1 > 0.883 ) and 
      (bondedto (attr store1 < 109.978722631  and attr store1 > 109.178722631 ) or 
       bondedto (attr store1 < 62.236  and attr store1 > 61.436 ) or 
       bondedto (attr store1 < 14.4932773688  and attr store1 > 13.6932773688 ))) 
6 0.1 0.1 peak 1847 volume 13.09925 ppm1 0.913 ppm2 4.424
 
! ############### C13_CNnoesy_manual.1848 folded +
assi (attr store1 < 3.525 and attr store1 > 3.425 )
     ((attr store1 < 0.941 and attr store1 > 0.881 ) and 
      (bondedto (attr store1 < 109.971722631  and attr store1 > 109.171722631 ) or 
       bondedto (attr store1 < 62.229  and attr store1 > 61.429 ) or 
       bondedto (attr store1 < 14.4862773688  and attr store1 > 13.6862773688 ))) 
6 0.1 0.1 peak 1848 volume 31.91122 ppm1 0.911 ppm2 3.475
 
! ############### C13_CNnoesy_manual.1849 folded +
assi (attr store1 < 3.271 and attr store1 > 3.171 )
     ((attr store1 < 0.944 and attr store1 > 0.884 ) and 
      (bondedto (attr store1 < 109.982722631  and attr store1 > 109.182722631 ) or 
       bondedto (attr store1 < 62.24  and attr store1 > 61.44 ) or 
       bondedto (attr store1 < 14.4972773688  and attr store1 > 13.6972773688 ))) 
6 0.1 0.1 peak 1849 volume 9.30200 ppm1 0.914 ppm2 3.221
 
! ############### C13_CNnoesy_manual.1850 folded +
assi (attr store1 < 2.916 and attr store1 > 2.816 )
     ((attr store1 < 0.942 and attr store1 > 0.882 ) and 
      (bondedto (attr store1 < 109.968722631  and attr store1 > 109.168722631 ) or 
       bondedto (attr store1 < 62.226  and attr store1 > 61.426 ) or 
       bondedto (attr store1 < 14.4832773688  and attr store1 > 13.6832773688 ))) 
6 0.1 0.1 peak 1850 volume 21.02862 ppm1 0.912 ppm2 2.866
 
! ############### C13_CNnoesy_manual.1851 folded +
assi (attr store1 < 2.637 and attr store1 > 2.537 )
     ((attr store1 < 0.942 and attr store1 > 0.882 ) and 
      (bondedto (attr store1 < 109.961722631  and attr store1 > 109.161722631 ) or 
       bondedto (attr store1 < 62.219  and attr store1 > 61.419 ) or 
       bondedto (attr store1 < 14.4762773688  and attr store1 > 13.6762773688 ))) 
6 0.1 0.1 peak 1851 volume 28.66634 ppm1 0.912 ppm2 2.587
 
! ############### C13_CNnoesy_manual.1852 folded +
assi (attr store1 < 2.462 and attr store1 > 2.362 )
     ((attr store1 < 0.941 and attr store1 > 0.881 ) and 
      (bondedto (attr store1 < 109.978722631  and attr store1 > 109.178722631 ) or 
       bondedto (attr store1 < 62.236  and attr store1 > 61.436 ) or 
       bondedto (attr store1 < 14.4932773688  and attr store1 > 13.6932773688 ))) 
6 0.1 0.1 peak 1852 volume 44.62107 ppm1 0.911 ppm2 2.412
 
! ############### C13_CNnoesy_manual.1853 folded +
assi (attr store1 < 8.752 and attr store1 > 8.652 )
     ((attr store1 < 0.94 and attr store1 > 0.88 ) and 
      (bondedto (attr store1 < 109.955722631  and attr store1 > 109.155722631 ) or 
       bondedto (attr store1 < 62.213  and attr store1 > 61.413 ) or 
       bondedto (attr store1 < 14.4702773688  and attr store1 > 13.6702773688 ))) 
6 0.1 0.1 peak 1853 volume 45.44736 ppm1 0.910 ppm2 8.702
 
! ############### C13_CNnoesy_manual.1854 folded +
assi (attr store1 < 4.259 and attr store1 > 4.159 )
     ((attr store1 < 0.939 and attr store1 > 0.879 ) and 
      (bondedto (attr store1 < 109.968722631  and attr store1 > 109.168722631 ) or 
       bondedto (attr store1 < 62.226  and attr store1 > 61.426 ) or 
       bondedto (attr store1 < 14.4832773688  and attr store1 > 13.6832773688 ))) 
6 0.1 0.1 peak 1854 volume 82.04188 ppm1 0.909 ppm2 4.209
 
! ############### C13_CNnoesy_manual.1855 folded +
assi (attr store1 < 4.083 and attr store1 > 3.983 )
     ((attr store1 < 0.94 and attr store1 > 0.88 ) and 
      (bondedto (attr store1 < 109.967722631  and attr store1 > 109.167722631 ) or 
       bondedto (attr store1 < 62.225  and attr store1 > 61.425 ) or 
       bondedto (attr store1 < 14.4822773688  and attr store1 > 13.6822773688 ))) 
6 0.1 0.1 peak 1855 volume 77.16647 ppm1 0.910 ppm2 4.033
 
! ############### C13_CNnoesy_manual.1856 folded +
assi (attr store1 < 2.07 and attr store1 > 1.97 )
     ((attr store1 < 0.939 and attr store1 > 0.879 ) and 
      (bondedto (attr store1 < 109.974722631  and attr store1 > 109.174722631 ) or 
       bondedto (attr store1 < 62.232  and attr store1 > 61.432 ) or 
       bondedto (attr store1 < 14.4892773688  and attr store1 > 13.6892773688 ))) 
6 0.1 0.1 peak 1856 volume 191.87807 ppm1 0.909 ppm2 2.020
 
! ############### C13_CNnoesy_manual.1857 folded +
assi (attr store1 < 1.595 and attr store1 > 1.495 )
     ((attr store1 < 0.939 and attr store1 > 0.879 ) and 
      (bondedto (attr store1 < 109.971722631  and attr store1 > 109.171722631 ) or 
       bondedto (attr store1 < 62.229  and attr store1 > 61.429 ) or 
       bondedto (attr store1 < 14.4862773688  and attr store1 > 13.6862773688 ))) 
6 0.1 0.1 peak 1857 volume 87.69627 ppm1 0.909 ppm2 1.545
 
! ############### C13_CNnoesy_manual.1858 folded -
assi (attr store1 < 8.049 and attr store1 > 7.949 )
     ((attr store1 < 2.121 and attr store1 > 2.061 ) and 
      (bondedto (attr store1 < 133.801083947  and attr store1 > 133.001083947 ) or 
       bondedto (attr store1 < 38.3156386844  and attr store1 > 37.5156386844 ))) 
6 0.1 0.1 peak 1858 volume 22.61484 ppm1 2.091 ppm2 7.999
 
! ############### C13_CNnoesy_manual.1859 folded +
assi (attr store1 < 8.333 and attr store1 > 8.233 )
     ((attr store1 < 4.133 and attr store1 > 4.073 ) and 
      (bondedto (attr store1 < 109.879722631  and attr store1 > 109.079722631 ) or 
       bondedto (attr store1 < 62.137  and attr store1 > 61.337 ) or 
       bondedto (attr store1 < 14.3942773688  and attr store1 > 13.5942773688 ))) 
6 0.1 0.1 peak 1859 volume 9.85550 ppm1 4.103 ppm2 8.283
 
! ############### C13_CNnoesy_manual.1860 folded +
assi (attr store1 < 7.548 and attr store1 > 7.448 )
     ((attr store1 < 3.982 and attr store1 > 3.922 ) and 
      (bondedto (attr store1 < 109.816722631  and attr store1 > 109.016722631 ) or 
       bondedto (attr store1 < 62.074  and attr store1 > 61.274 ) or 
       bondedto (attr store1 < 14.3312773688  and attr store1 > 13.5312773688 ))) 
6 0.1 0.1 peak 1860 volume 11.93738 ppm1 3.952 ppm2 7.498
 
! ############### C13_CNnoesy_manual.1861 folded +
assi (attr store1 < 7.265 and attr store1 > 7.165 )
     ((attr store1 < 3.983 and attr store1 > 3.923 ) and 
      (bondedto (attr store1 < 109.842722631  and attr store1 > 109.042722631 ) or 
       bondedto (attr store1 < 62.1  and attr store1 > 61.3 ) or 
       bondedto (attr store1 < 14.3572773688  and attr store1 > 13.5572773688 ))) 
6 0.1 0.1 peak 1861 volume 6.74911 ppm1 3.953 ppm2 7.215
 
! ############### C13_CNnoesy_manual.1862 folded +
assi (attr store1 < 0.808 and attr store1 > 0.708 )
     ((attr store1 < 3.984 and attr store1 > 3.924 ) and 
      (bondedto (attr store1 < 109.843722631  and attr store1 > 109.043722631 ) or 
       bondedto (attr store1 < 62.101  and attr store1 > 61.301 ) or 
       bondedto (attr store1 < 14.3582773688  and attr store1 > 13.5582773688 ))) 
6 0.1 0.1 peak 1862 volume 19.93935 ppm1 3.954 ppm2 0.758
 
! ############### C13_CNnoesy_manual.1863 folded +
assi (attr store1 < 8.067 and attr store1 > 7.967 )
     ((attr store1 < 0.937 and attr store1 > 0.877 ) and 
      (bondedto (attr store1 < 109.885722631  and attr store1 > 109.085722631 ) or 
       bondedto (attr store1 < 62.143  and attr store1 > 61.343 ) or 
       bondedto (attr store1 < 14.4002773688  and attr store1 > 13.6002773688 ))) 
6 0.1 0.1 peak 1863 volume 8.80227 ppm1 0.907 ppm2 8.017
 
! ############### C13_CNnoesy_manual.1864 folded +
assi (attr store1 < 3.685 and attr store1 > 3.585 )
     ((attr store1 < 0.12 and attr store1 > 0.06 ) and 
      (bondedto (attr store1 < 109.886722631  and attr store1 > 109.086722631 ) or 
       bondedto (attr store1 < 62.144  and attr store1 > 61.344 ) or 
       bondedto (attr store1 < 14.4012773688  and attr store1 > 13.6012773688 ))) 
6 0.1 0.1 peak 1864 volume 8.33756 ppm1 0.090 ppm2 3.635
 
! ############### C13_CNnoesy_manual.1865 folded +
assi (attr store1 < 2.329 and attr store1 > 2.229 )
     ((attr store1 < 0.122 and attr store1 > 0.062 ) and 
      (bondedto (attr store1 < 109.867722631  and attr store1 > 109.067722631 ) or 
       bondedto (attr store1 < 62.125  and attr store1 > 61.325 ) or 
       bondedto (attr store1 < 14.3822773688  and attr store1 > 13.5822773688 ))) 
6 0.1 0.1 peak 1865 volume 11.14823 ppm1 0.092 ppm2 2.279
 
! ############### C13_CNnoesy_manual.1866 folded +
assi (attr store1 < 1.644 and attr store1 > 1.544 )
     ((attr store1 < 0.12 and attr store1 > 0.06 ) and 
      (bondedto (attr store1 < 109.849722631  and attr store1 > 109.049722631 ) or 
       bondedto (attr store1 < 62.107  and attr store1 > 61.307 ) or 
       bondedto (attr store1 < 14.3642773688  and attr store1 > 13.5642773688 ))) 
6 0.1 0.1 peak 1866 volume 106.38918 ppm1 0.090 ppm2 1.594
 
! ############### C13_CNnoesy_manual.1867 folded +
assi (attr store1 < 1.426 and attr store1 > 1.326 )
     ((attr store1 < 0.12 and attr store1 > 0.06 ) and 
      (bondedto (attr store1 < 109.874722631  and attr store1 > 109.074722631 ) or 
       bondedto (attr store1 < 62.132  and attr store1 > 61.332 ) or 
       bondedto (attr store1 < 14.3892773688  and attr store1 > 13.5892773688 ))) 
6 0.1 0.1 peak 1867 volume 28.61161 ppm1 0.090 ppm2 1.376
 
! ############### C13_CNnoesy_manual.1868 folded +
assi (attr store1 < 0.139 and attr store1 > 0.039 )
     ((attr store1 < 0.12 and attr store1 > 0.06 ) and 
      (bondedto (attr store1 < 109.851722631  and attr store1 > 109.051722631 ) or 
       bondedto (attr store1 < 62.109  and attr store1 > 61.309 ) or 
       bondedto (attr store1 < 14.3662773688  and attr store1 > 13.5662773688 ))) 
6 0.1 0.1 peak 1868 volume 1715.85779 ppm1 0.090 ppm2 0.089
 
! ############### C13_CNnoesy_manual.1869 folded +
assi (attr store1 < 7.731 and attr store1 > 7.631 )
     ((attr store1 < 0.12 and attr store1 > 0.06 ) and 
      (bondedto (attr store1 < 109.836722631  and attr store1 > 109.036722631 ) or 
       bondedto (attr store1 < 62.094  and attr store1 > 61.294 ) or 
       bondedto (attr store1 < 14.3512773688  and attr store1 > 13.5512773688 ))) 
6 0.1 0.1 peak 1869 volume 14.65557 ppm1 0.090 ppm2 7.681
 
! ############### C13_CNnoesy_manual.1870 folded +
assi (attr store1 < 7.377 and attr store1 > 7.277 )
     ((attr store1 < 0.119 and attr store1 > 0.059 ) and 
      (bondedto (attr store1 < 109.836722631  and attr store1 > 109.036722631 ) or 
       bondedto (attr store1 < 62.094  and attr store1 > 61.294 ) or 
       bondedto (attr store1 < 14.3512773688  and attr store1 > 13.5512773688 ))) 
6 0.1 0.1 peak 1870 volume 16.08480 ppm1 0.089 ppm2 7.327
 
! ############### C13_CNnoesy_manual.1871 folded +
assi (attr store1 < 7.288 and attr store1 > 7.188 )
     ((attr store1 < 0.12 and attr store1 > 0.06 ) and 
      (bondedto (attr store1 < 109.862722631  and attr store1 > 109.062722631 ) or 
       bondedto (attr store1 < 62.12  and attr store1 > 61.32 ) or 
       bondedto (attr store1 < 14.3772773688  and attr store1 > 13.5772773688 ))) 
6 0.1 0.1 peak 1871 volume 20.17481 ppm1 0.090 ppm2 7.238
 
! ############### C13_CNnoesy_manual.1872 folded +
assi (attr store1 < 4.89 and attr store1 > 4.79 )
     ((attr store1 < 0.12 and attr store1 > 0.06 ) and 
      (bondedto (attr store1 < 109.849722631  and attr store1 > 109.049722631 ) or 
       bondedto (attr store1 < 62.107  and attr store1 > 61.307 ) or 
       bondedto (attr store1 < 14.3642773688  and attr store1 > 13.5642773688 ))) 
6 0.1 0.1 peak 1872 volume 7.55424 ppm1 0.090 ppm2 4.840
 
! ############### C13_CNnoesy_manual.1873 folded +
assi (attr store1 < 4.147 and attr store1 > 4.047 )
     ((attr store1 < 0.12 and attr store1 > 0.06 ) and 
      (bondedto (attr store1 < 109.836722631  and attr store1 > 109.036722631 ) or 
       bondedto (attr store1 < 62.094  and attr store1 > 61.294 ) or 
       bondedto (attr store1 < 14.3512773688  and attr store1 > 13.5512773688 ))) 
6 0.1 0.1 peak 1873 volume 30.78289 ppm1 0.090 ppm2 4.097
 
! ############### C13_CNnoesy_manual.1874 folded +
assi (attr store1 < 3.867 and attr store1 > 3.767 )
     ((attr store1 < 0.12 and attr store1 > 0.06 ) and 
      (bondedto (attr store1 < 109.848722631  and attr store1 > 109.048722631 ) or 
       bondedto (attr store1 < 62.106  and attr store1 > 61.306 ) or 
       bondedto (attr store1 < 14.3632773688  and attr store1 > 13.5632773688 ))) 
6 0.1 0.1 peak 1874 volume 54.72643 ppm1 0.090 ppm2 3.817
 
! ############### C13_CNnoesy_manual.1875 folded +
assi (attr store1 < 0.934 and attr store1 > 0.834 )
     ((attr store1 < 0.118 and attr store1 > 0.058 ) and 
      (bondedto (attr store1 < 109.854722631  and attr store1 > 109.054722631 ) or 
       bondedto (attr store1 < 62.112  and attr store1 > 61.312 ) or 
       bondedto (attr store1 < 14.3692773688  and attr store1 > 13.5692773688 ))) 
6 0.1 0.1 peak 1875 volume 105.81944 ppm1 0.088 ppm2 0.884
 
! ############### C13_CNnoesy_manual.1876 folded +
assi (attr store1 < 0.804 and attr store1 > 0.704 )
     ((attr store1 < 0.12 and attr store1 > 0.06 ) and 
      (bondedto (attr store1 < 109.846722631  and attr store1 > 109.046722631 ) or 
       bondedto (attr store1 < 62.104  and attr store1 > 61.304 ) or 
       bondedto (attr store1 < 14.3612773688  and attr store1 > 13.5612773688 ))) 
6 0.1 0.1 peak 1876 volume 191.24203 ppm1 0.090 ppm2 0.754
 
! ############### C13_CNnoesy_manual.1877 folded +
assi (attr store1 < 0.295 and attr store1 > 0.195 )
     ((attr store1 < 0.117 and attr store1 > 0.057 ) and 
      (bondedto (attr store1 < 109.845722631  and attr store1 > 109.045722631 ) or 
       bondedto (attr store1 < 62.103  and attr store1 > 61.303 ) or 
       bondedto (attr store1 < 14.3602773688  and attr store1 > 13.5602773688 ))) 
6 0.1 0.1 peak 1877 volume 34.27880 ppm1 0.087 ppm2 0.245
 
! ############### C13_CNnoesy_manual.1878 folded -
assi (attr store1 < 3.578 and attr store1 > 3.478 )
     ((attr store1 < 2.118 and attr store1 > 2.058 ) and 
      (bondedto (attr store1 < 133.705083947  and attr store1 > 132.905083947 ) or 
       bondedto (attr store1 < 38.2196386844  and attr store1 > 37.4196386844 ))) 
6 0.1 0.1 peak 1878 volume 16.18606 ppm1 2.088 ppm2 3.528
 
! ############### C13_CNnoesy_manual.1879 folded -
assi (attr store1 < 2.142 and attr store1 > 2.042 )
     ((attr store1 < 2.12 and attr store1 > 2.06 ) and 
      (bondedto (attr store1 < 133.726083947  and attr store1 > 132.926083947 ) or 
       bondedto (attr store1 < 38.2406386844  and attr store1 > 37.4406386844 ))) 
6 0.1 0.1 peak 1879 volume 212.23421 ppm1 2.090 ppm2 2.092
 
! ############### C13_CNnoesy_manual.1880 folded -
assi (attr store1 < 0.917 and attr store1 > 0.817 )
     ((attr store1 < 2.12 and attr store1 > 2.06 ) and 
      (bondedto (attr store1 < 133.702083947  and attr store1 > 132.902083947 ) or 
       bondedto (attr store1 < 38.2166386844  and attr store1 > 37.4166386844 ))) 
6 0.1 0.1 peak 1880 volume 96.07992 ppm1 2.090 ppm2 0.867
 
! ############### C13_CNnoesy_manual.1881 folded +
assi (attr store1 < 7.901 and attr store1 > 7.801 )
     ((attr store1 < 3.982 and attr store1 > 3.922 ) and 
      (bondedto (attr store1 < 109.803722631  and attr store1 > 109.003722631 ) or 
       bondedto (attr store1 < 62.061  and attr store1 > 61.261 ) or 
       bondedto (attr store1 < 14.3182773688  and attr store1 > 13.5182773688 ))) 
6 0.1 0.1 peak 1881 volume 28.57665 ppm1 3.952 ppm2 7.851
 
! ############### C13_CNnoesy_manual.1882 folded +
assi (attr store1 < 4.003 and attr store1 > 3.903 )
     ((attr store1 < 3.983 and attr store1 > 3.923 ) and 
      (bondedto (attr store1 < 109.789722631  and attr store1 > 108.989722631 ) or 
       bondedto (attr store1 < 62.047  and attr store1 > 61.247 ) or 
       bondedto (attr store1 < 14.3042773688  and attr store1 > 13.5042773688 ))) 
6 0.1 0.1 peak 1882 volume 629.35791 ppm1 3.953 ppm2 3.953
 
! ############### C13_CNnoesy_manual.1883 folded +
assi (attr store1 < 3.85 and attr store1 > 3.75 )
     ((attr store1 < 3.981 and attr store1 > 3.921 ) and 
      (bondedto (attr store1 < 109.780722631  and attr store1 > 108.980722631 ) or 
       bondedto (attr store1 < 62.038  and attr store1 > 61.238 ) or 
       bondedto (attr store1 < 14.2952773688  and attr store1 > 13.4952773688 ))) 
6 0.1 0.1 peak 1883 volume 15.95661 ppm1 3.951 ppm2 3.800
 
! ############### C13_CNnoesy_manual.1884 folded +
assi (attr store1 < 2.747 and attr store1 > 2.647 )
     ((attr store1 < 3.983 and attr store1 > 3.923 ) and 
      (bondedto (attr store1 < 109.787722631  and attr store1 > 108.987722631 ) or 
       bondedto (attr store1 < 62.045  and attr store1 > 61.245 ) or 
       bondedto (attr store1 < 14.3022773688  and attr store1 > 13.5022773688 ))) 
6 0.1 0.1 peak 1884 volume 32.76078 ppm1 3.953 ppm2 2.697
 
! ############### C13_CNnoesy_manual.1885 folded +
assi (attr store1 < 2.628 and attr store1 > 2.528 )
     ((attr store1 < 3.983 and attr store1 > 3.923 ) and 
      (bondedto (attr store1 < 109.789722631  and attr store1 > 108.989722631 ) or 
       bondedto (attr store1 < 62.047  and attr store1 > 61.247 ) or 
       bondedto (attr store1 < 14.3042773688  and attr store1 > 13.5042773688 ))) 
6 0.1 0.1 peak 1885 volume 48.13346 ppm1 3.953 ppm2 2.578
 
! ############### C13_CNnoesy_manual.1886 folded +
assi (attr store1 < 2.352 and attr store1 > 2.252 )
     ((attr store1 < 3.979 and attr store1 > 3.919 ) and 
      (bondedto (attr store1 < 109.744722631  and attr store1 > 108.944722631 ) or 
       bondedto (attr store1 < 62.002  and attr store1 > 61.202 ) or 
       bondedto (attr store1 < 14.2592773688  and attr store1 > 13.4592773688 ))) 
6 0.1 0.1 peak 1886 volume 8.37068 ppm1 3.949 ppm2 2.302
 
! ############### C13_CNnoesy_manual.1887 folded +
assi (attr store1 < 1.419 and attr store1 > 1.319 )
     ((attr store1 < 3.983 and attr store1 > 3.923 ) and 
      (bondedto (attr store1 < 109.798722631  and attr store1 > 108.998722631 ) or 
       bondedto (attr store1 < 62.056  and attr store1 > 61.256 ) or 
       bondedto (attr store1 < 14.3132773688  and attr store1 > 13.5132773688 ))) 
6 0.1 0.1 peak 1887 volume 46.45547 ppm1 3.953 ppm2 1.369
 
! ############### C13_CNnoesy_manual.1888 folded -
assi (attr store1 < 8.479 and attr store1 > 8.379 )
     ((attr store1 < 2.121 and attr store1 > 2.061 ) and 
      (bondedto (attr store1 < 133.666083947  and attr store1 > 132.866083947 ) or 
       bondedto (attr store1 < 38.1806386844  and attr store1 > 37.3806386844 ))) 
6 0.1 0.1 peak 1888 volume 41.57516 ppm1 2.091 ppm2 8.429
 
! ############### C13_CNnoesy_manual.1889 folded -
assi (attr store1 < 3.883 and attr store1 > 3.783 )
     ((attr store1 < 2.121 and attr store1 > 2.061 ) and 
      (bondedto (attr store1 < 133.641083947  and attr store1 > 132.841083947 ) or 
       bondedto (attr store1 < 38.1556386844  and attr store1 > 37.3556386844 ))) 
6 0.1 0.1 peak 1889 volume 29.36632 ppm1 2.091 ppm2 3.833
 
! ############### C13_CNnoesy_manual.1890 folded -
assi (attr store1 < 1.962 and attr store1 > 1.862 )
     ((attr store1 < 2.122 and attr store1 > 2.062 ) and 
      (bondedto (attr store1 < 133.647083947  and attr store1 > 132.847083947 ) or 
       bondedto (attr store1 < 38.1616386844  and attr store1 > 37.3616386844 ))) 
6 0.1 0.1 peak 1890 volume 30.10259 ppm1 2.092 ppm2 1.912
 
! ############### C13_CNnoesy_manual.1891 folded -
assi (attr store1 < 1.425 and attr store1 > 1.325 )
     ((attr store1 < 2.12 and attr store1 > 2.06 ) and 
      (bondedto (attr store1 < 133.663083947  and attr store1 > 132.863083947 ) or 
       bondedto (attr store1 < 38.1776386844  and attr store1 > 37.3776386844 ))) 
6 0.1 0.1 peak 1891 volume 14.12412 ppm1 2.090 ppm2 1.375
 
! ############### C13_CNnoesy_manual.1892 folded -
assi (attr store1 < 8.27 and attr store1 > 8.17 )
     ((attr store1 < 3.407 and attr store1 > 3.347 ) and 
      (bondedto (attr store1 < 133.333083947  and attr store1 > 132.533083947 ) or 
       bondedto (attr store1 < 37.8476386844  and attr store1 > 37.0476386844 ))) 
6 0.1 0.1 peak 1892 volume 11.01173 ppm1 3.377 ppm2 8.220
 
! ############### C13_CNnoesy_manual.1893 folded -
assi (attr store1 < 1.168 and attr store1 > 1.068 )
     ((attr store1 < 3.407 and attr store1 > 3.347 ) and 
      (bondedto (attr store1 < 133.355083947  and attr store1 > 132.555083947 ) or 
       bondedto (attr store1 < 37.8696386844  and attr store1 > 37.0696386844 ))) 
6 0.1 0.1 peak 1893 volume 5.54859 ppm1 3.377 ppm2 1.118
 
! ############### C13_CNnoesy_manual.1894 folded -
assi (attr store1 < 8.761 and attr store1 > 8.661 )
     ((attr store1 < 2.617 and attr store1 > 2.557 ) and 
      (bondedto (attr store1 < 133.320083947  and attr store1 > 132.520083947 ) or 
       bondedto (attr store1 < 37.8346386844  and attr store1 > 37.0346386844 ))) 
6 0.1 0.1 peak 1894 volume 24.54871 ppm1 2.587 ppm2 8.711
 
! ############### C13_CNnoesy_manual.1895 folded -
assi (attr store1 < 1.607 and attr store1 > 1.507 )
     ((attr store1 < 2.614 and attr store1 > 2.554 ) and 
      (bondedto (attr store1 < 133.320083947  and attr store1 > 132.520083947 ) or 
       bondedto (attr store1 < 37.8346386844  and attr store1 > 37.0346386844 ))) 
6 0.1 0.1 peak 1895 volume 6.23119 ppm1 2.584 ppm2 1.557
 
! ############### C13_CNnoesy_manual.1896 folded -
assi (attr store1 < 0.958 and attr store1 > 0.858 )
     ((attr store1 < 2.615 and attr store1 > 2.555 ) and 
      (bondedto (attr store1 < 133.325083947  and attr store1 > 132.525083947 ) or 
       bondedto (attr store1 < 37.8396386844  and attr store1 > 37.0396386844 ))) 
6 0.1 0.1 peak 1896 volume 27.19451 ppm1 2.585 ppm2 0.908
 
! ############### C13_CNnoesy_manual.1897 folded -
assi (attr store1 < 8.767 and attr store1 > 8.667 )
     ((attr store1 < 2.445 and attr store1 > 2.385 ) and 
      (bondedto (attr store1 < 133.331083947  and attr store1 > 132.531083947 ) or 
       bondedto (attr store1 < 37.8456386844  and attr store1 > 37.0456386844 ))) 
6 0.1 0.1 peak 1897 volume 19.79818 ppm1 2.415 ppm2 8.717
 
! ############### C13_CNnoesy_manual.1898 folded -
assi (attr store1 < 2.636 and attr store1 > 2.536 )
     ((attr store1 < 2.445 and attr store1 > 2.385 ) and 
      (bondedto (attr store1 < 133.328083947  and attr store1 > 132.528083947 ) or 
       bondedto (attr store1 < 37.8426386844  and attr store1 > 37.0426386844 ))) 
6 0.1 0.1 peak 1898 volume 262.20407 ppm1 2.415 ppm2 2.586
 
! ############### C13_CNnoesy_manual.1899 folded +
assi (attr store1 < 7.088 and attr store1 > 6.988 )
     ((attr store1 < 4.514 and attr store1 > 4.454 ) and 
      (bondedto (attr store1 < 109.387722631  and attr store1 > 108.587722631 ) or 
       bondedto (attr store1 < 61.645  and attr store1 > 60.845 ) or 
       bondedto (attr store1 < 13.9022773688  and attr store1 > 13.1022773688 ))) 
6 0.1 0.1 peak 1899 volume 53.41278 ppm1 4.484 ppm2 7.038
 
! ############### C13_CNnoesy_manual.1900 folded +
assi (attr store1 < 6.77 and attr store1 > 6.67 )
     ((attr store1 < 4.512 and attr store1 > 4.452 ) and 
      (bondedto (attr store1 < 109.347722631  and attr store1 > 108.547722631 ) or 
       bondedto (attr store1 < 61.605  and attr store1 > 60.805 ) or 
       bondedto (attr store1 < 13.8622773688  and attr store1 > 13.0622773688 ))) 
6 0.1 0.1 peak 1900 volume 8.06321 ppm1 4.482 ppm2 6.720
 
! ############### C13_CNnoesy_manual.1901 folded +
assi (attr store1 < 4.533 and attr store1 > 4.433 )
     ((attr store1 < 4.514 and attr store1 > 4.454 ) and 
      (bondedto (attr store1 < 109.382722631  and attr store1 > 108.582722631 ) or 
       bondedto (attr store1 < 61.64  and attr store1 > 60.84 ) or 
       bondedto (attr store1 < 13.8972773688  and attr store1 > 13.0972773688 ))) 
6 0.1 0.1 peak 1901 volume 397.52011 ppm1 4.484 ppm2 4.483
 
! ############### C13_CNnoesy_manual.1902 folded +
assi (attr store1 < 4.174 and attr store1 > 4.074 )
     ((attr store1 < 4.518 and attr store1 > 4.458 ) and 
      (bondedto (attr store1 < 109.393722631  and attr store1 > 108.593722631 ) or 
       bondedto (attr store1 < 61.651  and attr store1 > 60.851 ) or 
       bondedto (attr store1 < 13.9082773688  and attr store1 > 13.1082773688 ))) 
6 0.1 0.1 peak 1902 volume 13.35268 ppm1 4.488 ppm2 4.124
 
! ############### C13_CNnoesy_manual.1903 folded +
assi (attr store1 < 3.422 and attr store1 > 3.322 )
     ((attr store1 < 4.514 and attr store1 > 4.454 ) and 
      (bondedto (attr store1 < 109.362722631  and attr store1 > 108.562722631 ) or 
       bondedto (attr store1 < 61.62  and attr store1 > 60.82 ) or 
       bondedto (attr store1 < 13.8772773688  and attr store1 > 13.0772773688 ))) 
6 0.1 0.1 peak 1903 volume 28.30455 ppm1 4.484 ppm2 3.372
 
! ############### C13_CNnoesy_manual.1904 folded +
assi (attr store1 < 3.138 and attr store1 > 3.038 )
     ((attr store1 < 4.515 and attr store1 > 4.455 ) and 
      (bondedto (attr store1 < 109.380722631  and attr store1 > 108.580722631 ) or 
       bondedto (attr store1 < 61.638  and attr store1 > 60.838 ) or 
       bondedto (attr store1 < 13.8952773688  and attr store1 > 13.0952773688 ))) 
6 0.1 0.1 peak 1904 volume 7.96046 ppm1 4.485 ppm2 3.088
 
! ############### C13_CNnoesy_manual.1905 folded +
assi (attr store1 < 2.891 and attr store1 > 2.791 )
     ((attr store1 < 4.51 and attr store1 > 4.45 ) and 
      (bondedto (attr store1 < 109.377722631  and attr store1 > 108.577722631 ) or 
       bondedto (attr store1 < 61.635  and attr store1 > 60.835 ) or 
       bondedto (attr store1 < 13.8922773688  and attr store1 > 13.0922773688 ))) 
6 0.1 0.1 peak 1905 volume 17.71405 ppm1 4.480 ppm2 2.841
 
! ############### C13_CNnoesy_manual.1906 folded +
assi (attr store1 < 2.661 and attr store1 > 2.561 )
     ((attr store1 < 4.516 and attr store1 > 4.456 ) and 
      (bondedto (attr store1 < 109.367722631  and attr store1 > 108.567722631 ) or 
       bondedto (attr store1 < 61.625  and attr store1 > 60.825 ) or 
       bondedto (attr store1 < 13.8822773688  and attr store1 > 13.0822773688 ))) 
6 0.1 0.1 peak 1906 volume 18.40282 ppm1 4.486 ppm2 2.611
 
! ############### C13_CNnoesy_manual.1907 folded +
assi (attr store1 < 2.457 and attr store1 > 2.357 )
     ((attr store1 < 4.513 and attr store1 > 4.453 ) and 
      (bondedto (attr store1 < 109.410722631  and attr store1 > 108.610722631 ) or 
       bondedto (attr store1 < 61.668  and attr store1 > 60.868 ) or 
       bondedto (attr store1 < 13.9252773688  and attr store1 > 13.1252773688 ))) 
6 0.1 0.1 peak 1907 volume 13.16700 ppm1 4.483 ppm2 2.407
 
! ############### C13_CNnoesy_manual.1908 folded +
assi (attr store1 < 2.31 and attr store1 > 2.21 )
     ((attr store1 < 4.515 and attr store1 > 4.455 ) and 
      (bondedto (attr store1 < 109.382722631  and attr store1 > 108.582722631 ) or 
       bondedto (attr store1 < 61.64  and attr store1 > 60.84 ) or 
       bondedto (attr store1 < 13.8972773688  and attr store1 > 13.0972773688 ))) 
6 0.1 0.1 peak 1908 volume 24.68466 ppm1 4.485 ppm2 2.260
 
! ############### C13_CNnoesy_manual.1909 folded +
assi (attr store1 < 1.427 and attr store1 > 1.327 )
     ((attr store1 < 4.512 and attr store1 > 4.452 ) and 
      (bondedto (attr store1 < 109.422722631  and attr store1 > 108.622722631 ) or 
       bondedto (attr store1 < 61.68  and attr store1 > 60.88 ) or 
       bondedto (attr store1 < 13.9372773688  and attr store1 > 13.1372773688 ))) 
6 0.1 0.1 peak 1909 volume 6.92171 ppm1 4.482 ppm2 1.377
 
! ############### C13_CNnoesy_manual.1910 folded -
assi (attr store1 < 7.089 and attr store1 > 6.989 )
     ((attr store1 < 3.405 and attr store1 > 3.345 ) and 
      (bondedto (attr store1 < 133.281083947  and attr store1 > 132.481083947 ) or 
       bondedto (attr store1 < 37.7956386844  and attr store1 > 36.9956386844 ))) 
6 0.1 0.1 peak 1910 volume 22.76132 ppm1 3.375 ppm2 7.039
 
! ############### C13_CNnoesy_manual.1911 folded -
assi (attr store1 < 4.537 and attr store1 > 4.437 )
     ((attr store1 < 3.407 and attr store1 > 3.347 ) and 
      (bondedto (attr store1 < 133.295083947  and attr store1 > 132.495083947 ) or 
       bondedto (attr store1 < 37.8096386844  and attr store1 > 37.0096386844 ))) 
6 0.1 0.1 peak 1911 volume 23.79738 ppm1 3.377 ppm2 4.487
 
! ############### C13_CNnoesy_manual.1912 folded -
assi (attr store1 < 4.212 and attr store1 > 4.112 )
     ((attr store1 < 3.403 and attr store1 > 3.343 ) and 
      (bondedto (attr store1 < 133.259083947  and attr store1 > 132.459083947 ) or 
       bondedto (attr store1 < 37.7736386844  and attr store1 > 36.9736386844 ))) 
6 0.1 0.1 peak 1912 volume 8.52923 ppm1 3.373 ppm2 4.162
 
! ############### C13_CNnoesy_manual.1913 folded -
assi (attr store1 < 3.428 and attr store1 > 3.328 )
     ((attr store1 < 3.407 and attr store1 > 3.347 ) and 
      (bondedto (attr store1 < 133.280083947  and attr store1 > 132.480083947 ) or 
       bondedto (attr store1 < 37.7946386844  and attr store1 > 36.9946386844 ))) 
6 0.1 0.1 peak 1913 volume 126.87855 ppm1 3.377 ppm2 3.378
 
! ############### C13_CNnoesy_manual.1914 folded -
assi (attr store1 < 3.145 and attr store1 > 3.045 )
     ((attr store1 < 3.403 and attr store1 > 3.343 ) and 
      (bondedto (attr store1 < 133.272083947  and attr store1 > 132.472083947 ) or 
       bondedto (attr store1 < 37.7866386844  and attr store1 > 36.9866386844 ))) 
6 0.1 0.1 peak 1914 volume 15.16748 ppm1 3.373 ppm2 3.095
 
! ############### C13_CNnoesy_manual.1915 folded -
assi (attr store1 < 2.895 and attr store1 > 2.795 )
     ((attr store1 < 3.406 and attr store1 > 3.346 ) and 
      (bondedto (attr store1 < 133.281083947  and attr store1 > 132.481083947 ) or 
       bondedto (attr store1 < 37.7956386844  and attr store1 > 36.9956386844 ))) 
6 0.1 0.1 peak 1915 volume 100.15878 ppm1 3.376 ppm2 2.845
 
! ############### C13_CNnoesy_manual.1916 folded -
assi (attr store1 < 2.718 and attr store1 > 2.618 )
     ((attr store1 < 3.406 and attr store1 > 3.346 ) and 
      (bondedto (attr store1 < 133.259083947  and attr store1 > 132.459083947 ) or 
       bondedto (attr store1 < 37.7736386844  and attr store1 > 36.9736386844 ))) 
6 0.1 0.1 peak 1916 volume 8.01418 ppm1 3.376 ppm2 2.668
 
! ############### C13_CNnoesy_manual.1917 folded -
assi (attr store1 < 1.648 and attr store1 > 1.548 )
     ((attr store1 < 3.408 and attr store1 > 3.348 ) and 
      (bondedto (attr store1 < 133.310083947  and attr store1 > 132.510083947 ) or 
       bondedto (attr store1 < 37.8246386844  and attr store1 > 37.0246386844 ))) 
6 0.1 0.1 peak 1917 volume 17.08598 ppm1 3.378 ppm2 1.598
 
! ############### C13_CNnoesy_manual.1918 folded -
assi (attr store1 < 1.45 and attr store1 > 1.35 )
     ((attr store1 < 3.409 and attr store1 > 3.349 ) and 
      (bondedto (attr store1 < 133.289083947  and attr store1 > 132.489083947 ) or 
       bondedto (attr store1 < 37.8036386844  and attr store1 > 37.0036386844 ))) 
6 0.1 0.1 peak 1918 volume 6.97453 ppm1 3.379 ppm2 1.400
 
! ############### C13_CNnoesy_manual.1919 folded -
assi (attr store1 < 3.88 and attr store1 > 3.78 )
     ((attr store1 < 3.399 and attr store1 > 3.339 ) and 
      (bondedto (attr store1 < 133.241083947  and attr store1 > 132.441083947 ) or 
       bondedto (attr store1 < 37.7556386844  and attr store1 > 36.9556386844 ))) 
6 0.1 0.1 peak 1919 volume 5.56079 ppm1 3.369 ppm2 3.830
 
! ############### C13_CNnoesy_manual.1920 folded -
assi (attr store1 < 8.268 and attr store1 > 8.168 )
     ((attr store1 < 2.873 and attr store1 > 2.813 ) and 
      (bondedto (attr store1 < 133.310083947  and attr store1 > 132.510083947 ) or 
       bondedto (attr store1 < 37.8246386844  and attr store1 > 37.0246386844 ))) 
6 0.1 0.1 peak 1920 volume 11.18401 ppm1 2.843 ppm2 8.218
 
! ############### C13_CNnoesy_manual.1921 folded -
assi (attr store1 < 7.089 and attr store1 > 6.989 )
     ((attr store1 < 2.875 and attr store1 > 2.815 ) and 
      (bondedto (attr store1 < 133.295083947  and attr store1 > 132.495083947 ) or 
       bondedto (attr store1 < 37.8096386844  and attr store1 > 37.0096386844 ))) 
6 0.1 0.1 peak 1921 volume 20.95872 ppm1 2.845 ppm2 7.039
 
! ############### C13_CNnoesy_manual.1922 folded -
assi (attr store1 < 4.88 and attr store1 > 4.78 )
     ((attr store1 < 2.873 and attr store1 > 2.813 ) and 
      (bondedto (attr store1 < 133.309083947  and attr store1 > 132.509083947 ) or 
       bondedto (attr store1 < 37.8236386844  and attr store1 > 37.0236386844 ))) 
6 0.1 0.1 peak 1922 volume 12.13308 ppm1 2.843 ppm2 4.830
 
! ############### C13_CNnoesy_manual.1923 folded -
assi (attr store1 < 4.208 and attr store1 > 4.108 )
     ((attr store1 < 2.874 and attr store1 > 2.814 ) and 
      (bondedto (attr store1 < 133.280083947  and attr store1 > 132.480083947 ) or 
       bondedto (attr store1 < 37.7946386844  and attr store1 > 36.9946386844 ))) 
6 0.1 0.1 peak 1923 volume 10.85435 ppm1 2.844 ppm2 4.158
 
! ############### C13_CNnoesy_manual.1924 folded -
assi (attr store1 < 3.876 and attr store1 > 3.776 )
     ((attr store1 < 2.878 and attr store1 > 2.818 ) and 
      (bondedto (attr store1 < 133.270083947  and attr store1 > 132.470083947 ) or 
       bondedto (attr store1 < 37.7846386844  and attr store1 > 36.9846386844 ))) 
6 0.1 0.1 peak 1924 volume 7.35943 ppm1 2.848 ppm2 3.826
 
! ############### C13_CNnoesy_manual.1925 folded -
assi (attr store1 < 3.425 and attr store1 > 3.325 )
     ((attr store1 < 2.875 and attr store1 > 2.815 ) and 
      (bondedto (attr store1 < 133.281083947  and attr store1 > 132.481083947 ) or 
       bondedto (attr store1 < 37.7956386844  and attr store1 > 36.9956386844 ))) 
6 0.1 0.1 peak 1925 volume 96.03672 ppm1 2.845 ppm2 3.375
 
! ############### C13_CNnoesy_manual.1926 folded -
assi (attr store1 < 3.151 and attr store1 > 3.051 )
     ((attr store1 < 2.878 and attr store1 > 2.818 ) and 
      (bondedto (attr store1 < 133.251083947  and attr store1 > 132.451083947 ) or 
       bondedto (attr store1 < 37.7656386844  and attr store1 > 36.9656386844 ))) 
6 0.1 0.1 peak 1926 volume 11.04724 ppm1 2.848 ppm2 3.101
 
! ############### C13_CNnoesy_manual.1927 folded -
assi (attr store1 < 1.647 and attr store1 > 1.547 )
     ((attr store1 < 2.874 and attr store1 > 2.814 ) and 
      (bondedto (attr store1 < 133.257083947  and attr store1 > 132.457083947 ) or 
       bondedto (attr store1 < 37.7716386844  and attr store1 > 36.9716386844 ))) 
6 0.1 0.1 peak 1927 volume 17.23991 ppm1 2.844 ppm2 1.597
 
! ############### C13_CNnoesy_manual.1928 folded -
assi (attr store1 < 4.085 and attr store1 > 3.985 )
     ((attr store1 < 2.615 and attr store1 > 2.555 ) and 
      (bondedto (attr store1 < 133.299083947  and attr store1 > 132.499083947 ) or 
       bondedto (attr store1 < 37.8136386844  and attr store1 > 37.0136386844 ))) 
6 0.1 0.1 peak 1928 volume 19.53884 ppm1 2.585 ppm2 4.035
 
! ############### C13_CNnoesy_manual.1929 folded -
assi (attr store1 < 2.461 and attr store1 > 2.361 )
     ((attr store1 < 2.618 and attr store1 > 2.558 ) and 
      (bondedto (attr store1 < 133.307083947  and attr store1 > 132.507083947 ) or 
       bondedto (attr store1 < 37.8216386844  and attr store1 > 37.0216386844 ))) 
6 0.1 0.1 peak 1929 volume 252.80827 ppm1 2.588 ppm2 2.411
 
! ############### C13_CNnoesy_manual.1930 folded -
assi (attr store1 < 4.089 and attr store1 > 3.989 )
     ((attr store1 < 2.442 and attr store1 > 2.382 ) and 
      (bondedto (attr store1 < 133.239083947  and attr store1 > 132.439083947 ) or 
       bondedto (attr store1 < 37.7536386844  and attr store1 > 36.9536386844 ))) 
6 0.1 0.1 peak 1930 volume 33.10368 ppm1 2.412 ppm2 4.039
 
! ############### C13_CNnoesy_manual.1931 folded -
assi (attr store1 < 2.461 and attr store1 > 2.361 )
     ((attr store1 < 2.442 and attr store1 > 2.382 ) and 
      (bondedto (attr store1 < 133.234083947  and attr store1 > 132.434083947 ) or 
       bondedto (attr store1 < 37.7486386844  and attr store1 > 36.9486386844 ))) 
6 0.1 0.1 peak 1931 volume 549.51288 ppm1 2.412 ppm2 2.411
 
! ############### C13_CNnoesy_manual.1932 folded -
assi (attr store1 < 0.954 and attr store1 > 0.854 )
     ((attr store1 < 2.442 and attr store1 > 2.382 ) and 
      (bondedto (attr store1 < 133.292083947  and attr store1 > 132.492083947 ) or 
       bondedto (attr store1 < 37.8066386844  and attr store1 > 37.0066386844 ))) 
6 0.1 0.1 peak 1932 volume 35.55945 ppm1 2.412 ppm2 0.904
 
! ############### C13_CNnoesy_manual.1933 folded -
assi (attr store1 < 1.61 and attr store1 > 1.51 )
     ((attr store1 < 2.438 and attr store1 > 2.378 ) and 
      (bondedto (attr store1 < 133.260083947  and attr store1 > 132.460083947 ) or 
       bondedto (attr store1 < 37.7746386844  and attr store1 > 36.9746386844 ))) 
6 0.1 0.1 peak 1933 volume 6.45344 ppm1 2.408 ppm2 1.560
 
! ############### C13_CNnoesy_manual.1934 folded +
assi (attr store1 < 4.908 and attr store1 > 4.808 )
     ((attr store1 < 4.517 and attr store1 > 4.457 ) and 
      (bondedto (attr store1 < 109.298722631  and attr store1 > 108.498722631 ) or 
       bondedto (attr store1 < 61.556  and attr store1 > 60.756 ) or 
       bondedto (attr store1 < 13.8132773688  and attr store1 > 13.0132773688 ))) 
6 0.1 0.1 peak 1934 volume 15.47908 ppm1 4.487 ppm2 4.858
 
! ############### C13_CNnoesy_manual.1935 folded +
assi (attr store1 < 8.283 and attr store1 > 8.183 )
     ((attr store1 < 4.51 and attr store1 > 4.45 ) and 
      (bondedto (attr store1 < 109.320722631  and attr store1 > 108.520722631 ) or 
       bondedto (attr store1 < 61.578  and attr store1 > 60.778 ) or 
       bondedto (attr store1 < 13.8352773688  and attr store1 > 13.0352773688 ))) 
6 0.1 0.1 peak 1935 volume 10.99464 ppm1 4.480 ppm2 8.233
 
! ############### C13_CNnoesy_manual.1936 folded +
assi (attr store1 < 1.578 and attr store1 > 1.478 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 109.258722631  and attr store1 > 108.458722631 ) or 
       bondedto (attr store1 < 61.516  and attr store1 > 60.716 ) or 
       bondedto (attr store1 < 13.7732773688  and attr store1 > 12.9732773688 ))) 
6 0.1 0.1 peak 1936 volume 13.10019 ppm1 4.132 ppm2 1.528
 
! ############### C13_CNnoesy_manual.1937 folded +
assi (attr store1 < 8.053 and attr store1 > 7.953 )
     ((attr store1 < 4.152 and attr store1 > 4.092 ) and 
      (bondedto (attr store1 < 109.288722631  and attr store1 > 108.488722631 ) or 
       bondedto (attr store1 < 61.546  and attr store1 > 60.746 ) or 
       bondedto (attr store1 < 13.8032773688  and attr store1 > 13.0032773688 ))) 
6 0.1 0.1 peak 1937 volume 56.46326 ppm1 4.122 ppm2 8.003
 
! ############### C13_CNnoesy_manual.1938 folded +
assi (attr store1 < 7.751 and attr store1 > 7.651 )
     ((attr store1 < 4.152 and attr store1 > 4.092 ) and 
      (bondedto (attr store1 < 109.285722631  and attr store1 > 108.485722631 ) or 
       bondedto (attr store1 < 61.543  and attr store1 > 60.743 ) or 
       bondedto (attr store1 < 13.8002773688  and attr store1 > 13.0002773688 ))) 
6 0.1 0.1 peak 1938 volume 23.04690 ppm1 4.122 ppm2 7.701
 
! ############### C13_CNnoesy_manual.1939 folded +
assi (attr store1 < 2.351 and attr store1 > 2.251 )
     ((attr store1 < 4.153 and attr store1 > 4.093 ) and 
      (bondedto (attr store1 < 109.271722631  and attr store1 > 108.471722631 ) or 
       bondedto (attr store1 < 61.529  and attr store1 > 60.729 ) or 
       bondedto (attr store1 < 13.7862773688  and attr store1 > 12.9862773688 ))) 
6 0.1 0.1 peak 1939 volume 28.81484 ppm1 4.123 ppm2 2.301
 
! ############### C13_CNnoesy_manual.1940 folded +
assi (attr store1 < 0.962 and attr store1 > 0.862 )
     ((attr store1 < 4.153 and attr store1 > 4.093 ) and 
      (bondedto (attr store1 < 109.290722631  and attr store1 > 108.490722631 ) or 
       bondedto (attr store1 < 61.548  and attr store1 > 60.748 ) or 
       bondedto (attr store1 < 13.8052773688  and attr store1 > 13.0052773688 ))) 
6 0.1 0.1 peak 1940 volume 30.68153 ppm1 4.123 ppm2 0.912
 
! ############### C13_CNnoesy_manual.1941 folded +
assi (attr store1 < 0.802 and attr store1 > 0.702 )
     ((attr store1 < 4.15 and attr store1 > 4.09 ) and 
      (bondedto (attr store1 < 109.281722631  and attr store1 > 108.481722631 ) or 
       bondedto (attr store1 < 61.539  and attr store1 > 60.739 ) or 
       bondedto (attr store1 < 13.7962773688  and attr store1 > 12.9962773688 ))) 
6 0.1 0.1 peak 1941 volume 87.03944 ppm1 4.120 ppm2 0.752
 
! ############### C13_CNnoesy_manual.1942 folded -
assi (attr store1 < 1.161 and attr store1 > 1.061 )
     ((attr store1 < 7.01 and attr store1 > 6.95 ) and 
      (bondedto (attr store1 < 133.155083947  and attr store1 > 132.355083947 ) or 
       bondedto (attr store1 < 37.6696386844  and attr store1 > 36.8696386844 ))) 
6 0.1 0.1 peak 1942 volume 7.95874 ppm1 6.980 ppm2 1.111
 
! ############### C13_CNnoesy_manual.1943 folded -
assi (attr store1 < 2.645 and attr store1 > 2.545 )
     ((attr store1 < 2.626 and attr store1 > 2.566 ) and 
      (bondedto (attr store1 < 133.127083947  and attr store1 > 132.327083947 ) or 
       bondedto (attr store1 < 37.6416386844  and attr store1 > 36.8416386844 ))) 
6 0.1 0.1 peak 1943 volume 648.5083 ppm1 2.596 ppm2 2.595
 
! ############### C13_CNnoesy_manual.1944 folded -
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 7.067 and attr store1 > 7.007 ) and 
      (bondedto (attr store1 < 133.058083947  and attr store1 > 132.258083947 ) or 
       bondedto (attr store1 < 37.5726386844  and attr store1 > 36.7726386844 ))) 
6 0.1 0.1 peak 1944 volume 12.31396 ppm1 7.037 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1945 folded -
assi (attr store1 < 4.533 and attr store1 > 4.433 )
     ((attr store1 < 7.068 and attr store1 > 7.008 ) and 
      (bondedto (attr store1 < 133.046083947  and attr store1 > 132.246083947 ) or 
       bondedto (attr store1 < 37.5606386844  and attr store1 > 36.7606386844 ))) 
6 0.1 0.1 peak 1945 volume 35.10266 ppm1 7.038 ppm2 4.483
 
! ############### C13_CNnoesy_manual.1946 folded -
assi (attr store1 < 4.213 and attr store1 > 4.113 )
     ((attr store1 < 7.068 and attr store1 > 7.008 ) and 
      (bondedto (attr store1 < 133.042083947  and attr store1 > 132.242083947 ) or 
       bondedto (attr store1 < 37.5566386844  and attr store1 > 36.7566386844 ))) 
6 0.1 0.1 peak 1946 volume 9.55135 ppm1 7.038 ppm2 4.163
 
! ############### C13_CNnoesy_manual.1947 folded -
assi (attr store1 < 3.873 and attr store1 > 3.773 )
     ((attr store1 < 7.069 and attr store1 > 7.009 ) and 
      (bondedto (attr store1 < 133.063083947  and attr store1 > 132.263083947 ) or 
       bondedto (attr store1 < 37.5776386844  and attr store1 > 36.7776386844 ))) 
6 0.1 0.1 peak 1947 volume 12.46066 ppm1 7.039 ppm2 3.823
 
! ############### C13_CNnoesy_manual.1948 folded -
assi (attr store1 < 3.424 and attr store1 > 3.324 )
     ((attr store1 < 7.068 and attr store1 > 7.008 ) and 
      (bondedto (attr store1 < 133.075083947  and attr store1 > 132.275083947 ) or 
       bondedto (attr store1 < 37.5896386844  and attr store1 > 36.7896386844 ))) 
6 0.1 0.1 peak 1948 volume 20.41777 ppm1 7.038 ppm2 3.374
 
! ############### C13_CNnoesy_manual.1949 folded -
assi (attr store1 < 3.142 and attr store1 > 3.042 )
     ((attr store1 < 7.068 and attr store1 > 7.008 ) and 
      (bondedto (attr store1 < 133.077083947  and attr store1 > 132.277083947 ) or 
       bondedto (attr store1 < 37.5916386844  and attr store1 > 36.7916386844 ))) 
6 0.1 0.1 peak 1949 volume 14.34881 ppm1 7.038 ppm2 3.092
 
! ############### C13_CNnoesy_manual.1950 folded -
assi (attr store1 < 2.889 and attr store1 > 2.789 )
     ((attr store1 < 7.068 and attr store1 > 7.008 ) and 
      (bondedto (attr store1 < 133.039083947  and attr store1 > 132.239083947 ) or 
       bondedto (attr store1 < 37.5536386844  and attr store1 > 36.7536386844 ))) 
6 0.1 0.1 peak 1950 volume 28.89723 ppm1 7.038 ppm2 2.839
 
! ############### C13_CNnoesy_manual.1951 folded -
assi (attr store1 < 2.677 and attr store1 > 2.577 )
     ((attr store1 < 7.067 and attr store1 > 7.007 ) and 
      (bondedto (attr store1 < 133.092083947  and attr store1 > 132.292083947 ) or 
       bondedto (attr store1 < 37.6066386844  and attr store1 > 36.8066386844 ))) 
6 0.1 0.1 peak 1951 volume 11.1224 ppm1 7.037 ppm2 2.627
 
! ############### C13_CNnoesy_manual.1952 folded -
assi (attr store1 < 1.636 and attr store1 > 1.536 )
     ((attr store1 < 7.07 and attr store1 > 7.01 ) and 
      (bondedto (attr store1 < 133.075083947  and attr store1 > 132.275083947 ) or 
       bondedto (attr store1 < 37.5896386844  and attr store1 > 36.7896386844 ))) 
6 0.1 0.1 peak 1952 volume 10.50718 ppm1 7.040 ppm2 1.586
 
! ############### C13_CNnoesy_manual.1953 folded -
assi (attr store1 < 1.422 and attr store1 > 1.322 )
     ((attr store1 < 7.065 and attr store1 > 7.005 ) and 
      (bondedto (attr store1 < 133.081083947  and attr store1 > 132.281083947 ) or 
       bondedto (attr store1 < 37.5956386844  and attr store1 > 36.7956386844 ))) 
6 0.1 0.1 peak 1953 volume 11.10486 ppm1 7.035 ppm2 1.372
 
! ############### C13_CNnoesy_manual.1954 folded -
assi (attr store1 < 1.22 and attr store1 > 1.12 )
     ((attr store1 < 7.072 and attr store1 > 7.012 ) and 
      (bondedto (attr store1 < 133.062083947  and attr store1 > 132.262083947 ) or 
       bondedto (attr store1 < 37.5766386844  and attr store1 > 36.7766386844 ))) 
6 0.1 0.1 peak 1954 volume 8.77491 ppm1 7.042 ppm2 1.170
 
! ############### C13_CNnoesy_manual.1955 folded -
assi (attr store1 < 4.89 and attr store1 > 4.79 )
     ((attr store1 < 7.014 and attr store1 > 6.954 ) and 
      (bondedto (attr store1 < 133.036083947  and attr store1 > 132.236083947 ) or 
       bondedto (attr store1 < 37.5506386844  and attr store1 > 36.7506386844 ))) 
6 0.1 0.1 peak 1955 volume 11.20942 ppm1 6.984 ppm2 4.840
 
! ############### C13_CNnoesy_manual.1956 folded -
assi (attr store1 < 2.635 and attr store1 > 2.535 )
     ((attr store1 < 7.013 and attr store1 > 6.953 ) and 
      (bondedto (attr store1 < 133.083083947  and attr store1 > 132.283083947 ) or 
       bondedto (attr store1 < 37.5976386844  and attr store1 > 36.7976386844 ))) 
6 0.1 0.1 peak 1956 volume 7.87999 ppm1 6.983 ppm2 2.585
 
! ############### C13_CNnoesy_manual.1957 folded -
assi (attr store1 < 2.017 and attr store1 > 1.917 )
     ((attr store1 < 7.012 and attr store1 > 6.952 ) and 
      (bondedto (attr store1 < 133.077083947  and attr store1 > 132.277083947 ) or 
       bondedto (attr store1 < 37.5916386844  and attr store1 > 36.7916386844 ))) 
6 0.1 0.1 peak 1957 volume 7.45496 ppm1 6.982 ppm2 1.967
 
! ############### C13_CNnoesy_manual.1958 folded -
assi (attr store1 < 7.031 and attr store1 > 6.931 )
     ((attr store1 < 7.01 and attr store1 > 6.95 ) and 
      (bondedto (attr store1 < 133.054083947  and attr store1 > 132.254083947 ) or 
       bondedto (attr store1 < 37.5686386844  and attr store1 > 36.7686386844 ))) 
6 0.1 0.1 peak 1958 volume 756.11469 ppm1 6.980 ppm2 6.981
 
! ############### C13_CNnoesy_manual.1959 folded -
assi (attr store1 < 4.107 and attr store1 > 4.007 )
     ((attr store1 < 7.01 and attr store1 > 6.95 ) and 
      (bondedto (attr store1 < 133.051083947  and attr store1 > 132.251083947 ) or 
       bondedto (attr store1 < 37.5656386844  and attr store1 > 36.7656386844 ))) 
6 0.1 0.1 peak 1959 volume 28.56037 ppm1 6.980 ppm2 4.057
 
! ############### C13_CNnoesy_manual.1960 folded -
assi (attr store1 < 3.348 and attr store1 > 3.248 )
     ((attr store1 < 7.01 and attr store1 > 6.95 ) and 
      (bondedto (attr store1 < 133.035083947  and attr store1 > 132.235083947 ) or 
       bondedto (attr store1 < 37.5496386844  and attr store1 > 36.7496386844 ))) 
6 0.1 0.1 peak 1960 volume 25.59442 ppm1 6.980 ppm2 3.298
 
! ############### C13_CNnoesy_manual.1961 folded -
assi (attr store1 < 3.093 and attr store1 > 2.993 )
     ((attr store1 < 7.009 and attr store1 > 6.949 ) and 
      (bondedto (attr store1 < 133.041083947  and attr store1 > 132.241083947 ) or 
       bondedto (attr store1 < 37.5556386844  and attr store1 > 36.7556386844 ))) 
6 0.1 0.1 peak 1961 volume 29.53418 ppm1 6.979 ppm2 3.043
 
! ############### C13_CNnoesy_manual.1962 folded -
assi (attr store1 < 1.421 and attr store1 > 1.321 )
     ((attr store1 < 7.01 and attr store1 > 6.95 ) and 
      (bondedto (attr store1 < 133.067083947  and attr store1 > 132.267083947 ) or 
       bondedto (attr store1 < 37.5816386844  and attr store1 > 36.7816386844 ))) 
6 0.1 0.1 peak 1962 volume 23.00001 ppm1 6.980 ppm2 1.371
 
! ############### C13_CNnoesy_manual.1963 folded -
assi (attr store1 < 4.105 and attr store1 > 4.005 )
     ((attr store1 < 2.436 and attr store1 > 2.376 ) and 
      (bondedto (attr store1 < 133.100083947  and attr store1 > 132.300083947 ) or 
       bondedto (attr store1 < 37.6146386844  and attr store1 > 36.8146386844 ))) 
6 0.1 0.1 peak 1963 volume 32.5626 ppm1 2.406 ppm2 4.055
 
! ############### C13_CNnoesy_manual.1964 folded -
assi (attr store1 < 7.086 and attr store1 > 6.986 )
     ((attr store1 < 7.066 and attr store1 > 7.006 ) and 
      (bondedto (attr store1 < 133.029083947  and attr store1 > 132.229083947 ) or 
       bondedto (attr store1 < 37.5436386844  and attr store1 > 36.7436386844 ))) 
6 0.1 0.1 peak 1964 volume 707.25391 ppm1 7.036 ppm2 7.036
 
! ############### C13_CNnoesy_manual.1965 folded -
assi (attr store1 < 6.766 and attr store1 > 6.666 )
     ((attr store1 < 7.068 and attr store1 > 7.008 ) and 
      (bondedto (attr store1 < 133.022083947  and attr store1 > 132.222083947 ) or 
       bondedto (attr store1 < 37.5366386844  and attr store1 > 36.7366386844 ))) 
6 0.1 0.1 peak 1965 volume 140.81566 ppm1 7.038 ppm2 6.716
 
! ############### C13_CNnoesy_manual.1966 folded -
assi (attr store1 < 3.898 and attr store1 > 3.798 )
     ((attr store1 < 7.013 and attr store1 > 6.953 ) and 
      (bondedto (attr store1 < 133.004083947  and attr store1 > 132.204083947 ) or 
       bondedto (attr store1 < 37.5186386844  and attr store1 > 36.7186386844 ))) 
6 0.1 0.1 peak 1966 volume 10.19521 ppm1 6.983 ppm2 3.848
 
! ############### C13_CNnoesy_manual.1967 folded -
assi (attr store1 < 2.282 and attr store1 > 2.182 )
     ((attr store1 < 7.008 and attr store1 > 6.948 ) and 
      (bondedto (attr store1 < 133.010083947  and attr store1 > 132.210083947 ) or 
       bondedto (attr store1 < 37.5246386844  and attr store1 > 36.7246386844 ))) 
6 0.1 0.1 peak 1967 volume 10.82755 ppm1 6.978 ppm2 2.232
 
! ############### C13_CNnoesy_manual.1968 folded -
assi (attr store1 < 0.802 and attr store1 > 0.702 )
     ((attr store1 < 7.009 and attr store1 > 6.949 ) and 
      (bondedto (attr store1 < 133.012083947  and attr store1 > 132.212083947 ) or 
       bondedto (attr store1 < 37.5266386844  and attr store1 > 36.7266386844 ))) 
6 0.1 0.1 peak 1968 volume 6.92764 ppm1 6.979 ppm2 0.752
 
! ############### C13_CNnoesy_manual.1969 folded -
assi (attr store1 < 6.905 and attr store1 > 6.805 )
     ((attr store1 < 2.817 and attr store1 > 2.757 ) and 
      (bondedto (attr store1 < 133.025083947  and attr store1 > 132.225083947 ) or 
       bondedto (attr store1 < 37.5396386844  and attr store1 > 36.7396386844 ))) 
6 0.1 0.1 peak 1969 volume 16.6005 ppm1 2.787 ppm2 6.855
 
! ############### C13_CNnoesy_manual.1970 folded -
assi (attr store1 < 8.162 and attr store1 > 8.062 )
     ((attr store1 < 2.815 and attr store1 > 2.755 ) and 
      (bondedto (attr store1 < 133.009083947  and attr store1 > 132.209083947 ) or 
       bondedto (attr store1 < 37.5236386844  and attr store1 > 36.7236386844 ))) 
6 0.1 0.1 peak 1970 volume 30.48282 ppm1 2.785 ppm2 8.112
 
! ############### C13_CNnoesy_manual.1971 folded -
assi (attr store1 < 4.355 and attr store1 > 4.255 )
     ((attr store1 < 2.815 and attr store1 > 2.755 ) and 
      (bondedto (attr store1 < 133.002083947  and attr store1 > 132.202083947 ) or 
       bondedto (attr store1 < 37.5166386844  and attr store1 > 36.7166386844 ))) 
6 0.1 0.1 peak 1971 volume 8.8342 ppm1 2.785 ppm2 4.305
 
! ############### C13_CNnoesy_manual.1972 folded -
assi (attr store1 < 4.152 and attr store1 > 4.052 )
     ((attr store1 < 2.814 and attr store1 > 2.754 ) and 
      (bondedto (attr store1 < 133.017083947  and attr store1 > 132.217083947 ) or 
       bondedto (attr store1 < 37.5316386844  and attr store1 > 36.7316386844 ))) 
6 0.1 0.1 peak 1972 volume 20.93763 ppm1 2.784 ppm2 4.102
 
! ############### C13_CNnoesy_manual.1973 folded -
assi (attr store1 < 2.836 and attr store1 > 2.736 )
     ((attr store1 < 2.812 and attr store1 > 2.752 ) and 
      (bondedto (attr store1 < 133.014083947  and attr store1 > 132.214083947 ) or 
       bondedto (attr store1 < 37.5286386844  and attr store1 > 36.7286386844 ))) 
6 0.1 0.1 peak 1973 volume 428.14316 ppm1 2.782 ppm2 2.786
 
! ############### C13_CNnoesy_manual.1974 folded -
assi (attr store1 < 2.365 and attr store1 > 2.265 )
     ((attr store1 < 2.814 and attr store1 > 2.754 ) and 
      (bondedto (attr store1 < 133.015083947  and attr store1 > 132.215083947 ) or 
       bondedto (attr store1 < 37.5296386844  and attr store1 > 36.7296386844 ))) 
6 0.1 0.1 peak 1974 volume 197.03456 ppm1 2.784 ppm2 2.315
 
! ############### C13_CNnoesy_manual.1975 folded -
assi (attr store1 < 8.697 and attr store1 > 8.597 )
     ((attr store1 < 2.637 and attr store1 > 2.577 ) and 
      (bondedto (attr store1 < 132.943083947  and attr store1 > 132.143083947 ) or 
       bondedto (attr store1 < 37.4576386844  and attr store1 > 36.6576386844 ))) 
6 0.1 0.1 peak 1975 volume 24.85437 ppm1 2.607 ppm2 8.647
 
! ############### C13_CNnoesy_manual.1976 folded -
assi (attr store1 < 1.914 and attr store1 > 1.814 )
     ((attr store1 < 2.635 and attr store1 > 2.575 ) and 
      (bondedto (attr store1 < 132.960083947  and attr store1 > 132.160083947 ) or 
       bondedto (attr store1 < 37.4746386844  and attr store1 > 36.6746386844 ))) 
6 0.1 0.1 peak 1976 volume 8.77457 ppm1 2.605 ppm2 1.864
 
! ############### C13_CNnoesy_manual.1977 folded -
assi (attr store1 < 1.146 and attr store1 > 1.046 )
     ((attr store1 < 2.636 and attr store1 > 2.576 ) and 
      (bondedto (attr store1 < 132.943083947  and attr store1 > 132.143083947 ) or 
       bondedto (attr store1 < 37.4576386844  and attr store1 > 36.6576386844 ))) 
6 0.1 0.1 peak 1977 volume 22.44372 ppm1 2.606 ppm2 1.096
 
! ############### C13_CNnoesy_manual.1978 folded -
assi (attr store1 < 1.926 and attr store1 > 1.826 )
     ((attr store1 < 2.38 and attr store1 > 2.32 ) and 
      (bondedto (attr store1 < 132.954083947  and attr store1 > 132.154083947 ) or 
       bondedto (attr store1 < 37.4686386844  and attr store1 > 36.6686386844 ))) 
6 0.1 0.1 peak 1978 volume 11.12084 ppm1 2.350 ppm2 1.876
 
! ############### C13_CNnoesy_manual.1979 folded -
assi (attr store1 < 2.389 and attr store1 > 2.289 )
     ((attr store1 < 2.368 and attr store1 > 2.308 ) and 
      (bondedto (attr store1 < 132.960083947  and attr store1 > 132.160083947 ) or 
       bondedto (attr store1 < 37.4746386844  and attr store1 > 36.6746386844 ))) 
6 0.1 0.1 peak 1979 volume 689.698 ppm1 2.338 ppm2 2.339
 
! ############### C13_CNnoesy_manual.1980 folded -
assi (attr store1 < 4.153 and attr store1 > 4.053 )
     ((attr store1 < 2.357 and attr store1 > 2.297 ) and 
      (bondedto (attr store1 < 133.016083947  and attr store1 > 132.216083947 ) or 
       bondedto (attr store1 < 37.5306386844  and attr store1 > 36.7306386844 ))) 
6 0.1 0.1 peak 1980 volume 33.23874 ppm1 2.327 ppm2 4.103
 
! ############### C13_CNnoesy_manual.1981 folded -
assi (attr store1 < 8.162 and attr store1 > 8.062 )
     ((attr store1 < 2.345 and attr store1 > 2.285 ) and 
      (bondedto (attr store1 < 132.994083947  and attr store1 > 132.194083947 ) or 
       bondedto (attr store1 < 37.5086386844  and attr store1 > 36.7086386844 ))) 
6 0.1 0.1 peak 1981 volume 17.12478 ppm1 2.315 ppm2 8.112
 
! ############### C13_CNnoesy_manual.1982 folded -
assi (attr store1 < 6.905 and attr store1 > 6.805 )
     ((attr store1 < 2.346 and attr store1 > 2.286 ) and 
      (bondedto (attr store1 < 133.003083947  and attr store1 > 132.203083947 ) or 
       bondedto (attr store1 < 37.5176386844  and attr store1 > 36.7176386844 ))) 
6 0.1 0.1 peak 1982 volume 11.77885 ppm1 2.316 ppm2 6.855
 
! ############### C13_CNnoesy_manual.1983 folded -
assi (attr store1 < 2.834 and attr store1 > 2.734 )
     ((attr store1 < 2.346 and attr store1 > 2.286 ) and 
      (bondedto (attr store1 < 133.016083947  and attr store1 > 132.216083947 ) or 
       bondedto (attr store1 < 37.5306386844  and attr store1 > 36.7306386844 ))) 
6 0.1 0.1 peak 1983 volume 193.03775 ppm1 2.316 ppm2 2.784
 
! ############### C13_CNnoesy_manual.1984 folded +
assi (attr store1 < 1.267 and attr store1 > 1.167 )
     ((attr store1 < 0.96 and attr store1 > 0.9 ) and 
      (bondedto (attr store1 < 108.997722631  and attr store1 > 108.197722631 ) or 
       bondedto (attr store1 < 61.255  and attr store1 > 60.455 ) or 
       bondedto (attr store1 < 13.5122773688  and attr store1 > 12.7122773688 ))) 
6 0.1 0.1 peak 1984 volume 27.63390 ppm1 0.930 ppm2 1.217
 
! ############### C13_CNnoesy_manual.1985 folded +
assi (attr store1 < 1.596 and attr store1 > 1.496 )
     ((attr store1 < 0.945 and attr store1 > 0.885 ) and 
      (bondedto (attr store1 < 109.014722631  and attr store1 > 108.214722631 ) or 
       bondedto (attr store1 < 61.272  and attr store1 > 60.472 ) or 
       bondedto (attr store1 < 13.5292773688  and attr store1 > 12.7292773688 ))) 
6 0.1 0.1 peak 1985 volume 11.60474 ppm1 0.915 ppm2 1.546
 
! ############### C13_CNnoesy_manual.1986 folded -
assi (attr store1 < 4.336 and attr store1 > 4.236 )
     ((attr store1 < 2.638 and attr store1 > 2.578 ) and 
      (bondedto (attr store1 < 132.928083947  and attr store1 > 132.128083947 ) or 
       bondedto (attr store1 < 37.4426386844  and attr store1 > 36.6426386844 ))) 
6 0.1 0.1 peak 1986 volume 25.08502 ppm1 2.608 ppm2 4.286
 
! ############### C13_CNnoesy_manual.1987 folded -
assi (attr store1 < 2.406 and attr store1 > 2.306 )
     ((attr store1 < 2.636 and attr store1 > 2.576 ) and 
      (bondedto (attr store1 < 132.931083947  and attr store1 > 132.131083947 ) or 
       bondedto (attr store1 < 37.4456386844  and attr store1 > 36.6456386844 ))) 
6 0.1 0.1 peak 1987 volume 256.05295 ppm1 2.606 ppm2 2.356
 
! ############### C13_CNnoesy_manual.1988 folded -
assi (attr store1 < 2.254 and attr store1 > 2.154 )
     ((attr store1 < 2.637 and attr store1 > 2.577 ) and 
      (bondedto (attr store1 < 132.925083947  and attr store1 > 132.125083947 ) or 
       bondedto (attr store1 < 37.4396386844  and attr store1 > 36.6396386844 ))) 
6 0.1 0.1 peak 1988 volume 97.13127 ppm1 2.607 ppm2 2.204
 
! ############### C13_CNnoesy_manual.1989 folded -
assi (attr store1 < 7.848 and attr store1 > 7.748 )
     ((attr store1 < 2.432 and attr store1 > 2.372 ) and 
      (bondedto (attr store1 < 132.917083947  and attr store1 > 132.117083947 ) or 
       bondedto (attr store1 < 37.4316386844  and attr store1 > 36.6316386844 ))) 
6 0.1 0.1 peak 1989 volume 13.88093 ppm1 2.402 ppm2 7.798
 
! ############### C13_CNnoesy_manual.1990 folded -
assi (attr store1 < 4.893 and attr store1 > 4.793 )
     ((attr store1 < 2.428 and attr store1 > 2.368 ) and 
      (bondedto (attr store1 < 132.900083947  and attr store1 > 132.100083947 ) or 
       bondedto (attr store1 < 37.4146386844  and attr store1 > 36.6146386844 ))) 
6 0.1 0.1 peak 1990 volume 16.3882 ppm1 2.398 ppm2 4.843
 
! ############### C13_CNnoesy_manual.1991 folded -
assi (attr store1 < 1.142 and attr store1 > 1.042 )
     ((attr store1 < 2.387 and attr store1 > 2.327 ) and 
      (bondedto (attr store1 < 132.893083947  and attr store1 > 132.093083947 ) or 
       bondedto (attr store1 < 37.4076386844  and attr store1 > 36.6076386844 ))) 
6 0.1 0.1 peak 1991 volume 17.05433 ppm1 2.357 ppm2 1.092
 
! ############### C13_CNnoesy_manual.1992 folded -
assi (attr store1 < 8.69 and attr store1 > 8.59 )
     ((attr store1 < 2.385 and attr store1 > 2.325 ) and 
      (bondedto (attr store1 < 132.936083947  and attr store1 > 132.136083947 ) or 
       bondedto (attr store1 < 37.4506386844  and attr store1 > 36.6506386844 ))) 
6 0.1 0.1 peak 1992 volume 18.87479 ppm1 2.355 ppm2 8.640
 
! ############### C13_CNnoesy_manual.1993 folded -
assi (attr store1 < 4.336 and attr store1 > 4.236 )
     ((attr store1 < 2.382 and attr store1 > 2.322 ) and 
      (bondedto (attr store1 < 132.930083947  and attr store1 > 132.130083947 ) or 
       bondedto (attr store1 < 37.4446386844  and attr store1 > 36.6446386844 ))) 
6 0.1 0.1 peak 1993 volume 40.78548 ppm1 2.352 ppm2 4.286
 
! ############### C13_CNnoesy_manual.1994 folded -
assi (attr store1 < 2.657 and attr store1 > 2.557 )
     ((attr store1 < 2.385 and attr store1 > 2.325 ) and 
      (bondedto (attr store1 < 132.907083947  and attr store1 > 132.107083947 ) or 
       bondedto (attr store1 < 37.4216386844  and attr store1 > 36.6216386844 ))) 
6 0.1 0.1 peak 1994 volume 265.22849 ppm1 2.355 ppm2 2.607
 
! ############### C13_CNnoesy_manual.1995 folded -
assi (attr store1 < 7.844 and attr store1 > 7.744 )
     ((attr store1 < 2.286 and attr store1 > 2.226 ) and 
      (bondedto (attr store1 < 132.901083947  and attr store1 > 132.101083947 ) or 
       bondedto (attr store1 < 37.4156386844  and attr store1 > 36.6156386844 ))) 
6 0.1 0.1 peak 1995 volume 14.98677 ppm1 2.256 ppm2 7.794
 
! ############### C13_CNnoesy_manual.1996 folded -
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 2.284 and attr store1 > 2.224 ) and 
      (bondedto (attr store1 < 132.888083947  and attr store1 > 132.088083947 ) or 
       bondedto (attr store1 < 37.4026386844  and attr store1 > 36.6026386844 ))) 
6 0.1 0.1 peak 1996 volume 11.04429 ppm1 2.254 ppm2 4.839
 
! ############### C13_CNnoesy_manual.1997 folded -
assi (attr store1 < 4.122 and attr store1 > 4.022 )
     ((attr store1 < 2.287 and attr store1 > 2.227 ) and 
      (bondedto (attr store1 < 132.920083947  and attr store1 > 132.120083947 ) or 
       bondedto (attr store1 < 37.4346386844  and attr store1 > 36.6346386844 ))) 
6 0.1 0.1 peak 1997 volume 28.78784 ppm1 2.257 ppm2 4.072
 
! ############### C13_CNnoesy_manual.1998 folded -
assi (attr store1 < 2.441 and attr store1 > 2.341 )
     ((attr store1 < 2.288 and attr store1 > 2.228 ) and 
      (bondedto (attr store1 < 132.912083947  and attr store1 > 132.112083947 ) or 
       bondedto (attr store1 < 37.4266386844  and attr store1 > 36.6266386844 ))) 
6 0.1 0.1 peak 1998 volume 220.38387 ppm1 2.258 ppm2 2.391
 
! ############### C13_CNnoesy_manual.1999 folded -
assi (attr store1 < 2.308 and attr store1 > 2.208 )
     ((attr store1 < 2.287 and attr store1 > 2.227 ) and 
      (bondedto (attr store1 < 132.886083947  and attr store1 > 132.086083947 ) or 
       bondedto (attr store1 < 37.4006386844  and attr store1 > 36.6006386844 ))) 
6 0.1 0.1 peak 1999 volume 401.4823 ppm1 2.257 ppm2 2.258
 
! ############### C13_CNnoesy_manual.2000 folded -
assi (attr store1 < 0.935 and attr store1 > 0.835 )
     ((attr store1 < 2.287 and attr store1 > 2.227 ) and 
      (bondedto (attr store1 < 132.900083947  and attr store1 > 132.100083947 ) or 
       bondedto (attr store1 < 37.4146386844  and attr store1 > 36.6146386844 ))) 
6 0.1 0.1 peak 2000 volume 17.02125 ppm1 2.257 ppm2 0.885
 
! ############### C13_CNnoesy_manual.2001 folded +
assi (attr store1 < 1.624 and attr store1 > 1.524 )
     ((attr store1 < 4.124 and attr store1 > 4.064 ) and 
      (bondedto (attr store1 < 108.907722631  and attr store1 > 108.107722631 ) or 
       bondedto (attr store1 < 61.165  and attr store1 > 60.365 ) or 
       bondedto (attr store1 < 13.4222773688  and attr store1 > 12.6222773688 ))) 
6 0.1 0.1 peak 2001 volume 19.45665 ppm1 4.094 ppm2 1.574
 
! ############### C13_CNnoesy_manual.2002 folded +
assi (attr store1 < 4.889 and attr store1 > 4.789 )
     ((attr store1 < 0.96 and attr store1 > 0.9 ) and 
      (bondedto (attr store1 < 108.956722631  and attr store1 > 108.156722631 ) or 
       bondedto (attr store1 < 61.214  and attr store1 > 60.414 ) or 
       bondedto (attr store1 < 13.4712773688  and attr store1 > 12.6712773688 ))) 
6 0.1 0.1 peak 2002 volume 19.95360 ppm1 0.930 ppm2 4.839
 
! ############### C13_CNnoesy_manual.2003 folded +
assi (attr store1 < 0.982 and attr store1 > 0.882 )
     ((attr store1 < 0.962 and attr store1 > 0.902 ) and 
      (bondedto (attr store1 < 108.944722631  and attr store1 > 108.144722631 ) or 
       bondedto (attr store1 < 61.202  and attr store1 > 60.402 ) or 
       bondedto (attr store1 < 13.4592773688  and attr store1 > 12.6592773688 ))) 
6 0.1 0.1 peak 2003 volume 1687.70398 ppm1 0.932 ppm2 0.932
 
! ############### C13_CNnoesy_manual.2004 folded -
assi (attr store1 < 7.679 and attr store1 > 7.579 )
     ((attr store1 < 2.289 and attr store1 > 2.229 ) and 
      (bondedto (attr store1 < 132.836083947  and attr store1 > 132.036083947 ) or 
       bondedto (attr store1 < 37.3506386844  and attr store1 > 36.5506386844 ))) 
6 0.1 0.1 peak 2004 volume 7.24023 ppm1 2.259 ppm2 7.629
 
! ############### C13_CNnoesy_manual.2005 folded -
assi (attr store1 < 8.204 and attr store1 > 8.104 )
     ((attr store1 < 2.277 and attr store1 > 2.217 ) and 
      (bondedto (attr store1 < 132.787083947  and attr store1 > 131.987083947 ) or 
       bondedto (attr store1 < 37.3016386844  and attr store1 > 36.5016386844 ))) 
6 0.1 0.1 peak 2005 volume 7.32881 ppm1 2.247 ppm2 8.154
 
! ############### C13_CNnoesy_manual.2006 folded +
assi (attr store1 < 8.71 and attr store1 > 8.61 )
     ((attr store1 < 4.123 and attr store1 > 4.063 ) and 
      (bondedto (attr store1 < 108.853722631  and attr store1 > 108.053722631 ) or 
       bondedto (attr store1 < 61.111  and attr store1 > 60.311 ) or 
       bondedto (attr store1 < 13.3682773688  and attr store1 > 12.5682773688 ))) 
6 0.1 0.1 peak 2006 volume 12.30747 ppm1 4.093 ppm2 8.660
 
! ############### C13_CNnoesy_manual.2007 folded +
assi (attr store1 < 8.501 and attr store1 > 8.401 )
     ((attr store1 < 4.122 and attr store1 > 4.062 ) and 
      (bondedto (attr store1 < 108.848722631  and attr store1 > 108.048722631 ) or 
       bondedto (attr store1 < 61.106  and attr store1 > 60.306 ) or 
       bondedto (attr store1 < 13.3632773688  and attr store1 > 12.5632773688 ))) 
6 0.1 0.1 peak 2007 volume 5.74420 ppm1 4.092 ppm2 8.451
 
! ############### C13_CNnoesy_manual.2008 folded +
assi (attr store1 < 6.915 and attr store1 > 6.815 )
     ((attr store1 < 4.126 and attr store1 > 4.066 ) and 
      (bondedto (attr store1 < 108.827722631  and attr store1 > 108.027722631 ) or 
       bondedto (attr store1 < 61.085  and attr store1 > 60.285 ) or 
       bondedto (attr store1 < 13.3422773688  and attr store1 > 12.5422773688 ))) 
6 0.1 0.1 peak 2008 volume 9.13548 ppm1 4.096 ppm2 6.865
 
! ############### C13_CNnoesy_manual.2009 folded +
assi (attr store1 < 4.886 and attr store1 > 4.786 )
     ((attr store1 < 4.126 and attr store1 > 4.066 ) and 
      (bondedto (attr store1 < 108.816722631  and attr store1 > 108.016722631 ) or 
       bondedto (attr store1 < 61.074  and attr store1 > 60.274 ) or 
       bondedto (attr store1 < 13.3312773688  and attr store1 > 12.5312773688 ))) 
6 0.1 0.1 peak 2009 volume 20.82825 ppm1 4.096 ppm2 4.836
 
! ############### C13_CNnoesy_manual.2010 folded +
assi (attr store1 < 4.146 and attr store1 > 4.046 )
     ((attr store1 < 4.122 and attr store1 > 4.062 ) and 
      (bondedto (attr store1 < 108.853722631  and attr store1 > 108.053722631 ) or 
       bondedto (attr store1 < 61.111  and attr store1 > 60.311 ) or 
       bondedto (attr store1 < 13.3682773688  and attr store1 > 12.5682773688 ))) 
6 0.1 0.1 peak 2010 volume 706.29584 ppm1 4.092 ppm2 4.096
 
! ############### C13_CNnoesy_manual.2011 folded +
assi (attr store1 < 2.036 and attr store1 > 1.936 )
     ((attr store1 < 4.124 and attr store1 > 4.064 ) and 
      (bondedto (attr store1 < 108.815722631  and attr store1 > 108.015722631 ) or 
       bondedto (attr store1 < 61.073  and attr store1 > 60.273 ) or 
       bondedto (attr store1 < 13.3302773688  and attr store1 > 12.5302773688 ))) 
6 0.1 0.1 peak 2011 volume 83.49435 ppm1 4.094 ppm2 1.986
 
! ############### C13_CNnoesy_manual.2012 folded +
assi (attr store1 < 1.82 and attr store1 > 1.72 )
     ((attr store1 < 4.125 and attr store1 > 4.065 ) and 
      (bondedto (attr store1 < 108.816722631  and attr store1 > 108.016722631 ) or 
       bondedto (attr store1 < 61.074  and attr store1 > 60.274 ) or 
       bondedto (attr store1 < 13.3312773688  and attr store1 > 12.5312773688 ))) 
6 0.1 0.1 peak 2012 volume 25.79188 ppm1 4.095 ppm2 1.770
 
! ############### C13_CNnoesy_manual.2013 folded +
assi (attr store1 < 1.414 and attr store1 > 1.314 )
     ((attr store1 < 4.125 and attr store1 > 4.065 ) and 
      (bondedto (attr store1 < 108.830722631  and attr store1 > 108.030722631 ) or 
       bondedto (attr store1 < 61.088  and attr store1 > 60.288 ) or 
       bondedto (attr store1 < 13.3452773688  and attr store1 > 12.5452773688 ))) 
6 0.1 0.1 peak 2013 volume 63.30877 ppm1 4.095 ppm2 1.364
 
! ############### C13_CNnoesy_manual.2014 folded -
assi (attr store1 < 8.733 and attr store1 > 8.633 )
     ((attr store1 < 2.495 and attr store1 > 2.435 ) and 
      (bondedto (attr store1 < 132.664083947  and attr store1 > 131.864083947 ) or 
       bondedto (attr store1 < 37.1786386844  and attr store1 > 36.3786386844 ))) 
6 0.1 0.1 peak 2014 volume 32.8946 ppm1 2.465 ppm2 8.683
 
! ############### C13_CNnoesy_manual.2015 folded -
assi (attr store1 < 4.603 and attr store1 > 4.503 )
     ((attr store1 < 2.496 and attr store1 > 2.436 ) and 
      (bondedto (attr store1 < 132.732083947  and attr store1 > 131.932083947 ) or 
       bondedto (attr store1 < 37.2466386844  and attr store1 > 36.4466386844 ))) 
6 0.1 0.1 peak 2015 volume 11.92656 ppm1 2.466 ppm2 4.553
 
! ############### C13_CNnoesy_manual.2016 folded -
assi (attr store1 < 4.325 and attr store1 > 4.225 )
     ((attr store1 < 2.495 and attr store1 > 2.435 ) and 
      (bondedto (attr store1 < 132.672083947  and attr store1 > 131.872083947 ) or 
       bondedto (attr store1 < 37.1866386844  and attr store1 > 36.3866386844 ))) 
6 0.1 0.1 peak 2016 volume 40.1142 ppm1 2.465 ppm2 4.275
 
! ############### C13_CNnoesy_manual.2017 folded -
assi (attr store1 < 2.513 and attr store1 > 2.413 )
     ((attr store1 < 2.493 and attr store1 > 2.433 ) and 
      (bondedto (attr store1 < 132.665083947  and attr store1 > 131.865083947 ) or 
       bondedto (attr store1 < 37.1796386844  and attr store1 > 36.3796386844 ))) 
6 0.1 0.1 peak 2017 volume 1846.3457 ppm1 2.463 ppm2 2.463
 
! ############### C13_CNnoesy_manual.2018 folded -
assi (attr store1 < 2.289 and attr store1 > 2.189 )
     ((attr store1 < 2.495 and attr store1 > 2.435 ) and 
      (bondedto (attr store1 < 132.661083947  and attr store1 > 131.861083947 ) or 
       bondedto (attr store1 < 37.1756386844  and attr store1 > 36.3756386844 ))) 
6 0.1 0.1 peak 2018 volume 186.64922 ppm1 2.465 ppm2 2.239
 
! ############### C13_CNnoesy_manual.2019 folded -
assi (attr store1 < 1.75 and attr store1 > 1.65 )
     ((attr store1 < 2.492 and attr store1 > 2.432 ) and 
      (bondedto (attr store1 < 132.676083947  and attr store1 > 131.876083947 ) or 
       bondedto (attr store1 < 37.1906386844  and attr store1 > 36.3906386844 ))) 
6 0.1 0.1 peak 2019 volume 30.56108 ppm1 2.462 ppm2 1.700
 
! ############### C13_CNnoesy_manual.2020 folded -
assi (attr store1 < 1.281 and attr store1 > 1.181 )
     ((attr store1 < 2.494 and attr store1 > 2.434 ) and 
      (bondedto (attr store1 < 132.676083947  and attr store1 > 131.876083947 ) or 
       bondedto (attr store1 < 37.1906386844  and attr store1 > 36.3906386844 ))) 
6 0.1 0.1 peak 2020 volume 6.91577 ppm1 2.464 ppm2 1.231
 
! ############### C13_CNnoesy_manual.2021 folded -
assi (attr store1 < 1.095 and attr store1 > 0.995 )
     ((attr store1 < 2.494 and attr store1 > 2.434 ) and 
      (bondedto (attr store1 < 132.674083947  and attr store1 > 131.874083947 ) or 
       bondedto (attr store1 < 37.1886386844  and attr store1 > 36.3886386844 ))) 
6 0.1 0.1 peak 2021 volume 45.11991 ppm1 2.464 ppm2 1.045
 
! ############### C13_CNnoesy_manual.2022 folded -
assi (attr store1 < 3.192 and attr store1 > 3.092 )
     ((attr store1 < 2.488 and attr store1 > 2.428 ) and 
      (bondedto (attr store1 < 132.699083947  and attr store1 > 131.899083947 ) or 
       bondedto (attr store1 < 37.2136386844  and attr store1 > 36.4136386844 ))) 
6 0.1 0.1 peak 2022 volume 5.93542 ppm1 2.458 ppm2 3.142
 
! ############### C13_CNnoesy_manual.2023 folded -
assi (attr store1 < 8.304 and attr store1 > 8.204 )
     ((attr store1 < 7.287 and attr store1 > 7.227 ) and 
      (bondedto (attr store1 < 132.605083947  and attr store1 > 131.805083947 ) or 
       bondedto (attr store1 < 37.1196386844  and attr store1 > 36.3196386844 ))) 
6 0.1 0.1 peak 2023 volume 10.6207 ppm1 7.257 ppm2 8.254
 
! ############### C13_CNnoesy_manual.2024 folded -
assi (attr store1 < 7.31 and attr store1 > 7.21 )
     ((attr store1 < 7.289 and attr store1 > 7.229 ) and 
      (bondedto (attr store1 < 132.604083947  and attr store1 > 131.804083947 ) or 
       bondedto (attr store1 < 37.1186386844  and attr store1 > 36.3186386844 ))) 
6 0.1 0.1 peak 2024 volume 458.41647 ppm1 7.259 ppm2 7.260
 
! ############### C13_CNnoesy_manual.2025 folded -
assi (attr store1 < 6.795 and attr store1 > 6.695 )
     ((attr store1 < 7.287 and attr store1 > 7.227 ) and 
      (bondedto (attr store1 < 132.610083947  and attr store1 > 131.810083947 ) or 
       bondedto (attr store1 < 37.1246386844  and attr store1 > 36.3246386844 ))) 
6 0.1 0.1 peak 2025 volume 95.92883 ppm1 7.257 ppm2 6.745
 
! ############### C13_CNnoesy_manual.2026 folded -
assi (attr store1 < 4.247 and attr store1 > 4.147 )
     ((attr store1 < 7.29 and attr store1 > 7.23 ) and 
      (bondedto (attr store1 < 132.611083947  and attr store1 > 131.811083947 ) or 
       bondedto (attr store1 < 37.1256386844  and attr store1 > 36.3256386844 ))) 
6 0.1 0.1 peak 2026 volume 15.7868 ppm1 7.260 ppm2 4.197
 
! ############### C13_CNnoesy_manual.2027 folded -
assi (attr store1 < 3.265 and attr store1 > 3.165 )
     ((attr store1 < 7.289 and attr store1 > 7.229 ) and 
      (bondedto (attr store1 < 132.635083947  and attr store1 > 131.835083947 ) or 
       bondedto (attr store1 < 37.1496386844  and attr store1 > 36.3496386844 ))) 
6 0.1 0.1 peak 2027 volume 8.21242 ppm1 7.259 ppm2 3.215
 
! ############### C13_CNnoesy_manual.2028 folded -
assi (attr store1 < 2.905 and attr store1 > 2.805 )
     ((attr store1 < 7.288 and attr store1 > 7.228 ) and 
      (bondedto (attr store1 < 132.625083947  and attr store1 > 131.825083947 ) or 
       bondedto (attr store1 < 37.1396386844  and attr store1 > 36.3396386844 ))) 
6 0.1 0.1 peak 2028 volume 12.49473 ppm1 7.258 ppm2 2.855
 
! ############### C13_CNnoesy_manual.2029 folded -
assi (attr store1 < 1.847 and attr store1 > 1.747 )
     ((attr store1 < 7.291 and attr store1 > 7.231 ) and 
      (bondedto (attr store1 < 132.623083947  and attr store1 > 131.823083947 ) or 
       bondedto (attr store1 < 37.1376386844  and attr store1 > 36.3376386844 ))) 
6 0.1 0.1 peak 2029 volume 8.15304 ppm1 7.261 ppm2 1.797
 
! ############### C13_CNnoesy_manual.2030 folded -
assi (attr store1 < 1.605 and attr store1 > 1.505 )
     ((attr store1 < 7.288 and attr store1 > 7.228 ) and 
      (bondedto (attr store1 < 132.624083947  and attr store1 > 131.824083947 ) or 
       bondedto (attr store1 < 37.1386386844  and attr store1 > 36.3386386844 ))) 
6 0.1 0.1 peak 2030 volume 13.40004 ppm1 7.258 ppm2 1.555
 
! ############### C13_CNnoesy_manual.2031 folded -
assi (attr store1 < 1.4 and attr store1 > 1.3 )
     ((attr store1 < 7.289 and attr store1 > 7.229 ) and 
      (bondedto (attr store1 < 132.578083947  and attr store1 > 131.778083947 ) or 
       bondedto (attr store1 < 37.0926386844  and attr store1 > 36.2926386844 ))) 
6 0.1 0.1 peak 2031 volume 6.54419 ppm1 7.259 ppm2 1.350
 
! ############### C13_CNnoesy_manual.2032 folded -
assi (attr store1 < 1.075 and attr store1 > 0.975 )
     ((attr store1 < 7.29 and attr store1 > 7.23 ) and 
      (bondedto (attr store1 < 132.629083947  and attr store1 > 131.829083947 ) or 
       bondedto (attr store1 < 37.1436386844  and attr store1 > 36.3436386844 ))) 
6 0.1 0.1 peak 2032 volume 7.77598 ppm1 7.260 ppm2 1.025
 
! ############### C13_CNnoesy_manual.2033 folded -
assi (attr store1 < 0.91 and attr store1 > 0.81 )
     ((attr store1 < 7.29 and attr store1 > 7.23 ) and 
      (bondedto (attr store1 < 132.630083947  and attr store1 > 131.830083947 ) or 
       bondedto (attr store1 < 37.1446386844  and attr store1 > 36.3446386844 ))) 
6 0.1 0.1 peak 2033 volume 21.1311 ppm1 7.260 ppm2 0.860
 
! ############### C13_CNnoesy_manual.2034 folded -
assi (attr store1 < 7.055 and attr store1 > 6.955 )
     ((attr store1 < 2.496 and attr store1 > 2.436 ) and 
      (bondedto (attr store1 < 132.655083947  and attr store1 > 131.855083947 ) or 
       bondedto (attr store1 < 37.1696386844  and attr store1 > 36.3696386844 ))) 
6 0.1 0.1 peak 2034 volume 12.00661 ppm1 2.466 ppm2 7.005
 
! ############### C13_CNnoesy_manual.2035 folded -
assi (attr store1 < 0.129 and attr store1 > 0.029 )
     ((attr store1 < 7.342 and attr store1 > 7.282 ) and 
      (bondedto (attr store1 < 132.522083947  and attr store1 > 131.722083947 ) or 
       bondedto (attr store1 < 37.0366386844  and attr store1 > 36.2366386844 ))) 
6 0.1 0.1 peak 2035 volume 8.47023 ppm1 7.312 ppm2 0.079
 
! ############### C13_CNnoesy_manual.2036 folded -
assi (attr store1 < 1.767 and attr store1 > 1.667 )
     ((attr store1 < 7.334 and attr store1 > 7.274 ) and 
      (bondedto (attr store1 < 132.481083947  and attr store1 > 131.681083947 ) or 
       bondedto (attr store1 < 36.9956386844  and attr store1 > 36.1956386844 ))) 
6 0.1 0.1 peak 2036 volume 5.54823 ppm1 7.304 ppm2 1.717
 
! ############### C13_CNnoesy_manual.2037 folded -
assi (attr store1 < 0.914 and attr store1 > 0.814 )
     ((attr store1 < 7.335 and attr store1 > 7.275 ) and 
      (bondedto (attr store1 < 132.511083947  and attr store1 > 131.711083947 ) or 
       bondedto (attr store1 < 37.0256386844  and attr store1 > 36.2256386844 ))) 
6 0.1 0.1 peak 2037 volume 20.31715 ppm1 7.305 ppm2 0.864
 
! ############### C13_CNnoesy_manual.2038 folded -
assi (attr store1 < 0.353 and attr store1 > 0.253 )
     ((attr store1 < 7.335 and attr store1 > 7.275 ) and 
      (bondedto (attr store1 < 132.480083947  and attr store1 > 131.680083947 ) or 
       bondedto (attr store1 < 36.9946386844  and attr store1 > 36.1946386844 ))) 
6 0.1 0.1 peak 2038 volume 6.18646 ppm1 7.305 ppm2 0.303
 
! ############### C13_CNnoesy_manual.2039 folded -
assi (attr store1 < 7.367 and attr store1 > 7.267 )
     ((attr store1 < 7.711 and attr store1 > 7.651 ) and 
      (bondedto (attr store1 < 132.428083947  and attr store1 > 131.628083947 ) or 
       bondedto (attr store1 < 36.9426386844  and attr store1 > 36.1426386844 ))) 
6 0.1 0.1 peak 2039 volume 129.45839 ppm1 7.681 ppm2 7.317
 
! ############### C13_CNnoesy_manual.2040 folded -
assi (attr store1 < 7.732 and attr store1 > 7.632 )
     ((attr store1 < 7.341 and attr store1 > 7.281 ) and 
      (bondedto (attr store1 < 132.443083947  and attr store1 > 131.643083947 ) or 
       bondedto (attr store1 < 36.9576386844  and attr store1 > 36.1576386844 ))) 
6 0.1 0.1 peak 2040 volume 102.11601 ppm1 7.311 ppm2 7.682
 
! ############### C13_CNnoesy_manual.2041 folded -
assi (attr store1 < 4.914 and attr store1 > 4.814 )
     ((attr store1 < 7.34 and attr store1 > 7.28 ) and 
      (bondedto (attr store1 < 132.430083947  and attr store1 > 131.630083947 ) or 
       bondedto (attr store1 < 36.9446386844  and attr store1 > 36.1446386844 ))) 
6 0.1 0.1 peak 2041 volume 12.1747 ppm1 7.310 ppm2 4.864
 
! ############### C13_CNnoesy_manual.2042 folded -
assi (attr store1 < 3.06 and attr store1 > 2.96 )
     ((attr store1 < 7.341 and attr store1 > 7.281 ) and 
      (bondedto (attr store1 < 132.470083947  and attr store1 > 131.670083947 ) or 
       bondedto (attr store1 < 36.9846386844  and attr store1 > 36.1846386844 ))) 
6 0.1 0.1 peak 2042 volume 9.0572 ppm1 7.311 ppm2 3.010
 
! ############### C13_CNnoesy_manual.2043 folded -
assi (attr store1 < 7.732 and attr store1 > 7.632 )
     ((attr store1 < 7.711 and attr store1 > 7.651 ) and 
      (bondedto (attr store1 < 132.328083947  and attr store1 > 131.528083947 ) or 
       bondedto (attr store1 < 36.8426386844  and attr store1 > 36.0426386844 ))) 
6 0.1 0.1 peak 2043 volume 265.52704 ppm1 7.681 ppm2 7.682
 
! ############### C13_CNnoesy_manual.2044 folded -
assi (attr store1 < 6.81 and attr store1 > 6.71 )
     ((attr store1 < 7.711 and attr store1 > 7.651 ) and 
      (bondedto (attr store1 < 132.336083947  and attr store1 > 131.536083947 ) or 
       bondedto (attr store1 < 36.8506386844  and attr store1 > 36.0506386844 ))) 
6 0.1 0.1 peak 2044 volume 12.31918 ppm1 7.681 ppm2 6.760
 
! ############### C13_CNnoesy_manual.2045 folded -
assi (attr store1 < 4.924 and attr store1 > 4.824 )
     ((attr store1 < 7.712 and attr store1 > 7.652 ) and 
      (bondedto (attr store1 < 132.313083947  and attr store1 > 131.513083947 ) or 
       bondedto (attr store1 < 36.8276386844  and attr store1 > 36.0276386844 ))) 
6 0.1 0.1 peak 2045 volume 27.38224 ppm1 7.682 ppm2 4.874
 
! ############### C13_CNnoesy_manual.2046 folded -
assi (attr store1 < 3.68 and attr store1 > 3.58 )
     ((attr store1 < 7.712 and attr store1 > 7.652 ) and 
      (bondedto (attr store1 < 132.294083947  and attr store1 > 131.494083947 ) or 
       bondedto (attr store1 < 36.8086386844  and attr store1 > 36.0086386844 ))) 
6 0.1 0.1 peak 2046 volume 14.88685 ppm1 7.682 ppm2 3.630
 
! ############### C13_CNnoesy_manual.2047 folded -
assi (attr store1 < 3.059 and attr store1 > 2.959 )
     ((attr store1 < 7.712 and attr store1 > 7.652 ) and 
      (bondedto (attr store1 < 132.347083947  and attr store1 > 131.547083947 ) or 
       bondedto (attr store1 < 36.8616386844  and attr store1 > 36.0616386844 ))) 
6 0.1 0.1 peak 2047 volume 21.15586 ppm1 7.682 ppm2 3.009
 
! ############### C13_CNnoesy_manual.2048 folded -
assi (attr store1 < 0.932 and attr store1 > 0.832 )
     ((attr store1 < 7.712 and attr store1 > 7.652 ) and 
      (bondedto (attr store1 < 132.356083947  and attr store1 > 131.556083947 ) or 
       bondedto (attr store1 < 36.8706386844  and attr store1 > 36.0706386844 ))) 
6 0.1 0.1 peak 2048 volume 22.35238 ppm1 7.682 ppm2 0.882
 
! ############### C13_CNnoesy_manual.2049 folded -
assi (attr store1 < 0.126 and attr store1 > 0.026 )
     ((attr store1 < 7.711 and attr store1 > 7.651 ) and 
      (bondedto (attr store1 < 132.349083947  and attr store1 > 131.549083947 ) or 
       bondedto (attr store1 < 36.8636386844  and attr store1 > 36.0636386844 ))) 
6 0.1 0.1 peak 2049 volume 10.22805 ppm1 7.681 ppm2 0.076
 
! ############### C13_CNnoesy_manual.2050 folded -
assi (attr store1 < 8.09 and attr store1 > 7.99 )
     ((attr store1 < 2.574 and attr store1 > 2.514 ) and 
      (bondedto (attr store1 < 132.256083947  and attr store1 > 131.456083947 ) or 
       bondedto (attr store1 < 36.7706386844  and attr store1 > 35.9706386844 ))) 
6 0.1 0.1 peak 2050 volume 18.52371 ppm1 2.544 ppm2 8.040
 
! ############### C13_CNnoesy_manual.2051 folded -
assi (attr store1 < 4.227 and attr store1 > 4.127 )
     ((attr store1 < 2.571 and attr store1 > 2.511 ) and 
      (bondedto (attr store1 < 132.282083947  and attr store1 > 131.482083947 ) or 
       bondedto (attr store1 < 36.7966386844  and attr store1 > 35.9966386844 ))) 
6 0.1 0.1 peak 2051 volume 27.55851 ppm1 2.541 ppm2 4.177
 
! ############### C13_CNnoesy_manual.2052 folded -
assi (attr store1 < 2.591 and attr store1 > 2.491 )
     ((attr store1 < 2.573 and attr store1 > 2.513 ) and 
      (bondedto (attr store1 < 132.264083947  and attr store1 > 131.464083947 ) or 
       bondedto (attr store1 < 36.7786386844  and attr store1 > 35.9786386844 ))) 
6 0.1 0.1 peak 2052 volume 523.98627 ppm1 2.543 ppm2 2.541
 
! ############### C13_CNnoesy_manual.2053 folded -
assi (attr store1 < 2.319 and attr store1 > 2.219 )
     ((attr store1 < 2.57 and attr store1 > 2.51 ) and 
      (bondedto (attr store1 < 132.271083947  and attr store1 > 131.471083947 ) or 
       bondedto (attr store1 < 36.7856386844  and attr store1 > 35.9856386844 ))) 
6 0.1 0.1 peak 2053 volume 222.88301 ppm1 2.540 ppm2 2.269
 
! ############### C13_CNnoesy_manual.2054 folded -
assi (attr store1 < 1.947 and attr store1 > 1.847 )
     ((attr store1 < 2.567 and attr store1 > 2.507 ) and 
      (bondedto (attr store1 < 132.229083947  and attr store1 > 131.429083947 ) or 
       bondedto (attr store1 < 36.7436386844  and attr store1 > 35.9436386844 ))) 
6 0.1 0.1 peak 2054 volume 7.19257 ppm1 2.537 ppm2 1.897
 
! ############### C13_CNnoesy_manual.2055 folded -
assi (attr store1 < 7.749 and attr store1 > 7.649 )
     ((attr store1 < 2.325 and attr store1 > 2.265 ) and 
      (bondedto (attr store1 < 132.213083947  and attr store1 > 131.413083947 ) or 
       bondedto (attr store1 < 36.7276386844  and attr store1 > 35.9276386844 ))) 
6 0.1 0.1 peak 2055 volume 31.17482 ppm1 2.295 ppm2 7.699
 
! ############### C13_CNnoesy_manual.2056 folded -
assi (attr store1 < 1.404 and attr store1 > 1.304 )
     ((attr store1 < 2.325 and attr store1 > 2.265 ) and 
      (bondedto (attr store1 < 132.203083947  and attr store1 > 131.403083947 ) or 
       bondedto (attr store1 < 36.7176386844  and attr store1 > 35.9176386844 ))) 
6 0.1 0.1 peak 2056 volume 33.98287 ppm1 2.295 ppm2 1.354
 
! ############### C13_CNnoesy_manual.2057 folded -
assi (attr store1 < 0.964 and attr store1 > 0.864 )
     ((attr store1 < 2.325 and attr store1 > 2.265 ) and 
      (bondedto (attr store1 < 132.209083947  and attr store1 > 131.409083947 ) or 
       bondedto (attr store1 < 36.7236386844  and attr store1 > 35.9236386844 ))) 
6 0.1 0.1 peak 2057 volume 22.93686 ppm1 2.295 ppm2 0.914
 
! ############### C13_CNnoesy_manual.2058 folded -
assi (attr store1 < 0.804 and attr store1 > 0.704 )
     ((attr store1 < 2.325 and attr store1 > 2.265 ) and 
      (bondedto (attr store1 < 132.192083947  and attr store1 > 131.392083947 ) or 
       bondedto (attr store1 < 36.7066386844  and attr store1 > 35.9066386844 ))) 
6 0.1 0.1 peak 2058 volume 86.73003 ppm1 2.295 ppm2 0.754
 
! ############### C13_CNnoesy_manual.2059 folded -
assi (attr store1 < 4.207 and attr store1 > 4.107 )
     ((attr store1 < 2.297 and attr store1 > 2.237 ) and 
      (bondedto (attr store1 < 132.240083947  and attr store1 > 131.440083947 ) or 
       bondedto (attr store1 < 36.7546386844  and attr store1 > 35.9546386844 ))) 
6 0.1 0.1 peak 2059 volume 32.47763 ppm1 2.267 ppm2 4.157
 
! ############### C13_CNnoesy_manual.2060 folded -
assi (attr store1 < 2.325 and attr store1 > 2.225 )
     ((attr store1 < 2.308 and attr store1 > 2.248 ) and 
      (bondedto (attr store1 < 132.259083947  and attr store1 > 131.459083947 ) or 
       bondedto (attr store1 < 36.7736386844  and attr store1 > 35.9736386844 ))) 
6 0.1 0.1 peak 2060 volume 655.95605 ppm1 2.278 ppm2 2.275
 
! ############### C13_CNnoesy_manual.2061 folded -
assi (attr store1 < 2.587 and attr store1 > 2.487 )
     ((attr store1 < 2.289 and attr store1 > 2.229 ) and 
      (bondedto (attr store1 < 132.274083947  and attr store1 > 131.474083947 ) or 
       bondedto (attr store1 < 36.7886386844  and attr store1 > 35.9886386844 ))) 
6 0.1 0.1 peak 2061 volume 208.92067 ppm1 2.259 ppm2 2.537
 
! ############### C13_CNnoesy_manual.2062 folded +
assi (attr store1 < 7.624 and attr store1 > 7.524 )
     ((attr store1 < 7.613 and attr store1 > 7.553 ) and 
      (bondedto (attr store1 < 108.244722631  and attr store1 > 107.444722631 ) or 
       bondedto (attr store1 < 60.502  and attr store1 > 59.702 ) or 
       bondedto (attr store1 < 12.7592773688  and attr store1 > 11.9592773688 ))) 
6 0.1 0.1 peak 2062 volume 8.84135 ppm1 7.583 ppm2 7.574
 
! ############### C13_CNnoesy_manual.2063 folded +
assi (attr store1 < 8.379 and attr store1 > 8.279 )
     ((attr store1 < 4.593 and attr store1 > 4.533 ) and 
      (bondedto (attr store1 < 108.238722631  and attr store1 > 107.438722631 ) or 
       bondedto (attr store1 < 60.496  and attr store1 > 59.696 ) or 
       bondedto (attr store1 < 12.7532773688  and attr store1 > 11.9532773688 ))) 
6 0.1 0.1 peak 2063 volume 10.55777 ppm1 4.563 ppm2 8.329
 
! ############### C13_CNnoesy_manual.2064 folded +
assi (attr store1 < 3.509 and attr store1 > 3.409 )
     ((attr store1 < 4.596 and attr store1 > 4.536 ) and 
      (bondedto (attr store1 < 108.227722631  and attr store1 > 107.427722631 ) or 
       bondedto (attr store1 < 60.485  and attr store1 > 59.685 ) or 
       bondedto (attr store1 < 12.7422773688  and attr store1 > 11.9422773688 ))) 
6 0.1 0.1 peak 2064 volume 96.82970 ppm1 4.566 ppm2 3.459
 
! ############### C13_CNnoesy_manual.2065 folded +
assi (attr store1 < 1.053 and attr store1 > 0.953 )
     ((attr store1 < 4.594 and attr store1 > 4.534 ) and 
      (bondedto (attr store1 < 108.231722631  and attr store1 > 107.431722631 ) or 
       bondedto (attr store1 < 60.489  and attr store1 > 59.689 ) or 
       bondedto (attr store1 < 12.7462773688  and attr store1 > 11.9462773688 ))) 
6 0.1 0.1 peak 2065 volume 25.11197 ppm1 4.564 ppm2 1.003
 
! ############### C13_CNnoesy_manual.2066 folded +
assi (attr store1 < 5.144 and attr store1 > 5.044 )
     ((attr store1 < 4.236 and attr store1 > 4.176 ) and 
      (bondedto (attr store1 < 108.247722631  and attr store1 > 107.447722631 ) or 
       bondedto (attr store1 < 60.505  and attr store1 > 59.705 ) or 
       bondedto (attr store1 < 12.7622773688  and attr store1 > 11.9622773688 ))) 
6 0.1 0.1 peak 2066 volume 7.42736 ppm1 4.206 ppm2 5.094
 
! ############### C13_CNnoesy_manual.2067 folded +
assi (attr store1 < 8.704 and attr store1 > 8.604 )
     ((attr store1 < 4.229 and attr store1 > 4.169 ) and 
      (bondedto (attr store1 < 108.236722631  and attr store1 > 107.436722631 ) or 
       bondedto (attr store1 < 60.494  and attr store1 > 59.694 ) or 
       bondedto (attr store1 < 12.7512773688  and attr store1 > 11.9512773688 ))) 
6 0.1 0.1 peak 2067 volume 35.99389 ppm1 4.199 ppm2 8.654
 
! ############### C13_CNnoesy_manual.2068 folded +
assi (attr store1 < 7.463 and attr store1 > 7.363 )
     ((attr store1 < 4.231 and attr store1 > 4.171 ) and 
      (bondedto (attr store1 < 108.267722631  and attr store1 > 107.467722631 ) or 
       bondedto (attr store1 < 60.525  and attr store1 > 59.725 ) or 
       bondedto (attr store1 < 12.7822773688  and attr store1 > 11.9822773688 ))) 
6 0.1 0.1 peak 2068 volume 9.25278 ppm1 4.201 ppm2 7.413
 
! ############### C13_CNnoesy_manual.2069 folded +
assi (attr store1 < 6.557 and attr store1 > 6.457 )
     ((attr store1 < 4.231 and attr store1 > 4.171 ) and 
      (bondedto (attr store1 < 108.284722631  and attr store1 > 107.484722631 ) or 
       bondedto (attr store1 < 60.542  and attr store1 > 59.742 ) or 
       bondedto (attr store1 < 12.7992773688  and attr store1 > 11.9992773688 ))) 
6 0.1 0.1 peak 2069 volume 6.29979 ppm1 4.201 ppm2 6.507
 
! ############### C13_CNnoesy_manual.2070 folded +
assi (attr store1 < 2.029 and attr store1 > 1.929 )
     ((attr store1 < 4.229 and attr store1 > 4.169 ) and 
      (bondedto (attr store1 < 108.244722631  and attr store1 > 107.444722631 ) or 
       bondedto (attr store1 < 60.502  and attr store1 > 59.702 ) or 
       bondedto (attr store1 < 12.7592773688  and attr store1 > 11.9592773688 ))) 
6 0.1 0.1 peak 2070 volume 57.82504 ppm1 4.199 ppm2 1.979
 
! ############### C13_CNnoesy_manual.2071 folded +
assi (attr store1 < 1.553 and attr store1 > 1.453 )
     ((attr store1 < 4.23 and attr store1 > 4.17 ) and 
      (bondedto (attr store1 < 108.270722631  and attr store1 > 107.470722631 ) or 
       bondedto (attr store1 < 60.528  and attr store1 > 59.728 ) or 
       bondedto (attr store1 < 12.7852773688  and attr store1 > 11.9852773688 ))) 
6 0.1 0.1 peak 2071 volume 36.79914 ppm1 4.200 ppm2 1.503
 
! ############### C13_CNnoesy_manual.2072 folded -
assi (attr store1 < 1.753 and attr store1 > 1.653 )
     ((attr store1 < 2.324 and attr store1 > 2.264 ) and 
      (bondedto (attr store1 < 132.188083947  and attr store1 > 131.388083947 ) or 
       bondedto (attr store1 < 36.7026386844  and attr store1 > 35.9026386844 ))) 
6 0.1 0.1 peak 2072 volume 21.02995 ppm1 2.294 ppm2 1.703
 
! ############### C13_CNnoesy_manual.2073 folded +
assi (attr store1 < 7.777 and attr store1 > 7.677 )
     ((attr store1 < 4.596 and attr store1 > 4.536 ) and 
      (bondedto (attr store1 < 108.210722631  and attr store1 > 107.410722631 ) or 
       bondedto (attr store1 < 60.468  and attr store1 > 59.668 ) or 
       bondedto (attr store1 < 12.7252773688  and attr store1 > 11.9252773688 ))) 
6 0.1 0.1 peak 2073 volume 31.75878 ppm1 4.566 ppm2 7.727
 
! ############### C13_CNnoesy_manual.2074 folded +
assi (attr store1 < 7.501 and attr store1 > 7.401 )
     ((attr store1 < 4.594 and attr store1 > 4.534 ) and 
      (bondedto (attr store1 < 108.182722631  and attr store1 > 107.382722631 ) or 
       bondedto (attr store1 < 60.44  and attr store1 > 59.64 ) or 
       bondedto (attr store1 < 12.6972773688  and attr store1 > 11.8972773688 ))) 
6 0.1 0.1 peak 2074 volume 8.54131 ppm1 4.564 ppm2 7.451
 
! ############### C13_CNnoesy_manual.2075 folded +
assi (attr store1 < 4.61 and attr store1 > 4.51 )
     ((attr store1 < 4.59 and attr store1 > 4.53 ) and 
      (bondedto (attr store1 < 108.196722631  and attr store1 > 107.396722631 ) or 
       bondedto (attr store1 < 60.454  and attr store1 > 59.654 ) or 
       bondedto (attr store1 < 12.7112773688  and attr store1 > 11.9112773688 ))) 
6 0.1 0.1 peak 2075 volume 1354.20435 ppm1 4.560 ppm2 4.560
 
! ############### C13_CNnoesy_manual.2076 folded +
assi (attr store1 < 4.444 and attr store1 > 4.344 )
     ((attr store1 < 4.589 and attr store1 > 4.529 ) and 
      (bondedto (attr store1 < 108.152722631  and attr store1 > 107.352722631 ) or 
       bondedto (attr store1 < 60.41  and attr store1 > 59.61 ) or 
       bondedto (attr store1 < 12.6672773688  and attr store1 > 11.8672773688 ))) 
6 0.1 0.1 peak 2076 volume 27.83406 ppm1 4.559 ppm2 4.394
 
! ############### C13_CNnoesy_manual.2077 folded +
assi (attr store1 < 1.842 and attr store1 > 1.742 )
     ((attr store1 < 4.596 and attr store1 > 4.536 ) and 
      (bondedto (attr store1 < 108.201722631  and attr store1 > 107.401722631 ) or 
       bondedto (attr store1 < 60.459  and attr store1 > 59.659 ) or 
       bondedto (attr store1 < 12.7162773688  and attr store1 > 11.9162773688 ))) 
6 0.1 0.1 peak 2077 volume 36.62316 ppm1 4.566 ppm2 1.792
 
! ############### C13_CNnoesy_manual.2078 folded +
assi (attr store1 < 1.35 and attr store1 > 1.25 )
     ((attr store1 < 4.594 and attr store1 > 4.534 ) and 
      (bondedto (attr store1 < 108.155722631  and attr store1 > 107.355722631 ) or 
       bondedto (attr store1 < 60.413  and attr store1 > 59.613 ) or 
       bondedto (attr store1 < 12.6702773688  and attr store1 > 11.8702773688 ))) 
6 0.1 0.1 peak 2078 volume 6.70238 ppm1 4.564 ppm2 1.300
 
! ############### C13_CNnoesy_manual.2079 folded +
assi (attr store1 < 8.114 and attr store1 > 8.014 )
     ((attr store1 < 4.587 and attr store1 > 4.527 ) and 
      (bondedto (attr store1 < 108.140722631  and attr store1 > 107.340722631 ) or 
       bondedto (attr store1 < 60.398  and attr store1 > 59.598 ) or 
       bondedto (attr store1 < 12.6552773688  and attr store1 > 11.8552773688 ))) 
6 0.1 0.1 peak 2079 volume 31.26128 ppm1 4.557 ppm2 8.064
 
! ############### C13_CNnoesy_manual.2080 folded +
assi (attr store1 < 4.875 and attr store1 > 4.775 )
     ((attr store1 < 4.586 and attr store1 > 4.526 ) and 
      (bondedto (attr store1 < 108.176722631  and attr store1 > 107.376722631 ) or 
       bondedto (attr store1 < 60.434  and attr store1 > 59.634 ) or 
       bondedto (attr store1 < 12.6912773688  and attr store1 > 11.8912773688 ))) 
6 0.1 0.1 peak 2080 volume 42.64497 ppm1 4.556 ppm2 4.825
 
! ############### C13_CNnoesy_manual.2081 folded +
assi (attr store1 < 4.343 and attr store1 > 4.243 )
     ((attr store1 < 4.586 and attr store1 > 4.526 ) and 
      (bondedto (attr store1 < 108.202722631  and attr store1 > 107.402722631 ) or 
       bondedto (attr store1 < 60.46  and attr store1 > 59.66 ) or 
       bondedto (attr store1 < 12.7172773688  and attr store1 > 11.9172773688 ))) 
6 0.1 0.1 peak 2081 volume 16.35700 ppm1 4.556 ppm2 4.293
 
! ############### C13_CNnoesy_manual.2082 folded +
assi (attr store1 < 2.26 and attr store1 > 2.16 )
     ((attr store1 < 4.587 and attr store1 > 4.527 ) and 
      (bondedto (attr store1 < 108.223722631  and attr store1 > 107.423722631 ) or 
       bondedto (attr store1 < 60.481  and attr store1 > 59.681 ) or 
       bondedto (attr store1 < 12.7382773688  and attr store1 > 11.9382773688 ))) 
6 0.1 0.1 peak 2082 volume 9.46778 ppm1 4.557 ppm2 2.210
 
! ############### C13_CNnoesy_manual.2083 folded +
assi (attr store1 < 1.888 and attr store1 > 1.788 )
     ((attr store1 < 4.227 and attr store1 > 4.167 ) and 
      (bondedto (attr store1 < 108.214722631  and attr store1 > 107.414722631 ) or 
       bondedto (attr store1 < 60.472  and attr store1 > 59.672 ) or 
       bondedto (attr store1 < 12.7292773688  and attr store1 > 11.9292773688 ))) 
6 0.1 0.1 peak 2083 volume 33.76219 ppm1 4.197 ppm2 1.838
 
! ############### C13_CNnoesy_manual.2084 folded +
assi (attr store1 < 8.768 and attr store1 > 8.668 )
     ((attr store1 < 4.06 and attr store1 > 4.0 ) and 
      (bondedto (attr store1 < 108.172722631  and attr store1 > 107.372722631 ) or 
       bondedto (attr store1 < 60.43  and attr store1 > 59.63 ) or 
       bondedto (attr store1 < 12.6872773688  and attr store1 > 11.8872773688 ))) 
6 0.1 0.1 peak 2084 volume 37.22023 ppm1 4.030 ppm2 8.718
 
! ############### C13_CNnoesy_manual.2085 folded +
assi (attr store1 < 8.588 and attr store1 > 8.488 )
     ((attr store1 < 4.06 and attr store1 > 4.0 ) and 
      (bondedto (attr store1 < 108.166722631  and attr store1 > 107.366722631 ) or 
       bondedto (attr store1 < 60.424  and attr store1 > 59.624 ) or 
       bondedto (attr store1 < 12.6812773688  and attr store1 > 11.8812773688 ))) 
6 0.1 0.1 peak 2085 volume 15.84741 ppm1 4.030 ppm2 8.538
 
! ############### C13_CNnoesy_manual.2086 folded +
assi (attr store1 < 7.338 and attr store1 > 7.238 )
     ((attr store1 < 4.061 and attr store1 > 4.001 ) and 
      (bondedto (attr store1 < 108.199722631  and attr store1 > 107.399722631 ) or 
       bondedto (attr store1 < 60.457  and attr store1 > 59.657 ) or 
       bondedto (attr store1 < 12.7142773688  and attr store1 > 11.9142773688 ))) 
6 0.1 0.1 peak 2086 volume 6.17823 ppm1 4.031 ppm2 7.288
 
! ############### C13_CNnoesy_manual.2087 folded +
assi (attr store1 < 7.182 and attr store1 > 7.082 )
     ((attr store1 < 4.061 and attr store1 > 4.001 ) and 
      (bondedto (attr store1 < 108.198722631  and attr store1 > 107.398722631 ) or 
       bondedto (attr store1 < 60.456  and attr store1 > 59.656 ) or 
       bondedto (attr store1 < 12.7132773688  and attr store1 > 11.9132773688 ))) 
6 0.1 0.1 peak 2087 volume 11.26329 ppm1 4.031 ppm2 7.132
 
! ############### C13_CNnoesy_manual.2088 folded +
assi (attr store1 < 4.082 and attr store1 > 3.982 )
     ((attr store1 < 4.06 and attr store1 > 4.0 ) and 
      (bondedto (attr store1 < 108.148722631  and attr store1 > 107.348722631 ) or 
       bondedto (attr store1 < 60.406  and attr store1 > 59.606 ) or 
       bondedto (attr store1 < 12.6632773688  and attr store1 > 11.8632773688 ))) 
6 0.1 0.1 peak 2088 volume 552.19397 ppm1 4.030 ppm2 4.032
 
! ############### C13_CNnoesy_manual.2089 folded +
assi (attr store1 < 2.633 and attr store1 > 2.533 )
     ((attr store1 < 4.06 and attr store1 > 4.0 ) and 
      (bondedto (attr store1 < 108.154722631  and attr store1 > 107.354722631 ) or 
       bondedto (attr store1 < 60.412  and attr store1 > 59.612 ) or 
       bondedto (attr store1 < 12.6692773688  and attr store1 > 11.8692773688 ))) 
6 0.1 0.1 peak 2089 volume 16.07430 ppm1 4.030 ppm2 2.583
 
! ############### C13_CNnoesy_manual.2090 folded +
assi (attr store1 < 2.458 and attr store1 > 2.358 )
     ((attr store1 < 4.061 and attr store1 > 4.001 ) and 
      (bondedto (attr store1 < 108.154722631  and attr store1 > 107.354722631 ) or 
       bondedto (attr store1 < 60.412  and attr store1 > 59.612 ) or 
       bondedto (attr store1 < 12.6692773688  and attr store1 > 11.8692773688 ))) 
6 0.1 0.1 peak 2090 volume 43.49272 ppm1 4.031 ppm2 2.408
 
! ############### C13_CNnoesy_manual.2091 folded +
assi (attr store1 < 2.331 and attr store1 > 2.231 )
     ((attr store1 < 4.061 and attr store1 > 4.001 ) and 
      (bondedto (attr store1 < 108.173722631  and attr store1 > 107.373722631 ) or 
       bondedto (attr store1 < 60.431  and attr store1 > 59.631 ) or 
       bondedto (attr store1 < 12.6882773688  and attr store1 > 11.8882773688 ))) 
6 0.1 0.1 peak 2091 volume 41.13408 ppm1 4.031 ppm2 2.281
 
! ############### C13_CNnoesy_manual.2092 folded +
assi (attr store1 < 2.188 and attr store1 > 2.088 )
     ((attr store1 < 4.06 and attr store1 > 4.0 ) and 
      (bondedto (attr store1 < 108.152722631  and attr store1 > 107.352722631 ) or 
       bondedto (attr store1 < 60.41  and attr store1 > 59.61 ) or 
       bondedto (attr store1 < 12.6672773688  and attr store1 > 11.8672773688 ))) 
6 0.1 0.1 peak 2092 volume 57.72139 ppm1 4.030 ppm2 2.138
 
! ############### C13_CNnoesy_manual.2093 folded +
assi (attr store1 < 1.625 and attr store1 > 1.525 )
     ((attr store1 < 4.06 and attr store1 > 4.0 ) and 
      (bondedto (attr store1 < 108.182722631  and attr store1 > 107.382722631 ) or 
       bondedto (attr store1 < 60.44  and attr store1 > 59.64 ) or 
       bondedto (attr store1 < 12.6972773688  and attr store1 > 11.8972773688 ))) 
6 0.1 0.1 peak 2093 volume 59.21191 ppm1 4.030 ppm2 1.575
 
! ############### C13_CNnoesy_manual.2094 folded +
assi (attr store1 < 0.956 and attr store1 > 0.856 )
     ((attr store1 < 4.06 and attr store1 > 4.0 ) and 
      (bondedto (attr store1 < 108.167722631  and attr store1 > 107.367722631 ) or 
       bondedto (attr store1 < 60.425  and attr store1 > 59.625 ) or 
       bondedto (attr store1 < 12.6822773688  and attr store1 > 11.8822773688 ))) 
6 0.1 0.1 peak 2094 volume 71.89327 ppm1 4.030 ppm2 0.906
 
! ############### C13_CNnoesy_manual.2095 folded +
assi (attr store1 < 1.661 and attr store1 > 1.561 )
     ((attr store1 < 4.595 and attr store1 > 4.535 ) and 
      (bondedto (attr store1 < 108.125722631  and attr store1 > 107.325722631 ) or 
       bondedto (attr store1 < 60.383  and attr store1 > 59.583 ) or 
       bondedto (attr store1 < 12.6402773688  and attr store1 > 11.8402773688 ))) 
6 0.1 0.1 peak 2095 volume 10.11531 ppm1 4.565 ppm2 1.611
 
! ############### C13_CNnoesy_manual.2096 folded +
assi (attr store1 < 4.18 and attr store1 > 4.08 )
     ((attr store1 < 4.584 and attr store1 > 4.524 ) and 
      (bondedto (attr store1 < 108.130722631  and attr store1 > 107.330722631 ) or 
       bondedto (attr store1 < 60.388  and attr store1 > 59.588 ) or 
       bondedto (attr store1 < 12.6452773688  and attr store1 > 11.8452773688 ))) 
6 0.1 0.1 peak 2096 volume 141.92435 ppm1 4.554 ppm2 4.130
 
! ############### C13_CNnoesy_manual.2097 folded +
assi (attr store1 < 7.278 and attr store1 > 7.178 )
     ((attr store1 < 4.138 and attr store1 > 4.078 ) and 
      (bondedto (attr store1 < 108.054722631  and attr store1 > 107.254722631 ) or 
       bondedto (attr store1 < 60.312  and attr store1 > 59.512 ) or 
       bondedto (attr store1 < 12.5692773688  and attr store1 > 11.7692773688 ))) 
6 0.1 0.1 peak 2097 volume 18.39451 ppm1 4.108 ppm2 7.228
 
! ############### C13_CNnoesy_manual.2098 folded +
assi (attr store1 < 0.11 and attr store1 > 0.01 )
     ((attr store1 < 4.138 and attr store1 > 4.078 ) and 
      (bondedto (attr store1 < 108.044722631  and attr store1 > 107.244722631 ) or 
       bondedto (attr store1 < 60.302  and attr store1 > 59.502 ) or 
       bondedto (attr store1 < 12.5592773688  and attr store1 > 11.7592773688 ))) 
6 0.1 0.1 peak 2098 volume 34.89150 ppm1 4.108 ppm2 0.060
 
! ############### C13_CNnoesy_manual.2099 folded +
assi (attr store1 < 3.869 and attr store1 > 3.769 )
     ((attr store1 < 0.772 and attr store1 > 0.712 ) and 
      (bondedto (attr store1 < 108.043722631  and attr store1 > 107.243722631 ) or 
       bondedto (attr store1 < 60.301  and attr store1 > 59.501 ) or 
       bondedto (attr store1 < 12.5582773688  and attr store1 > 11.7582773688 ))) 
6 0.1 0.1 peak 2099 volume 19.44604 ppm1 0.742 ppm2 3.819
 
! ############### C13_CNnoesy_manual.2100 folded +
assi (attr store1 < 8.737 and attr store1 > 8.637 )
     ((attr store1 < 4.302 and attr store1 > 4.242 ) and 
      (bondedto (attr store1 < 107.963722631  and attr store1 > 107.163722631 ) or 
       bondedto (attr store1 < 60.221  and attr store1 > 59.421 ) or 
       bondedto (attr store1 < 12.4782773688  and attr store1 > 11.6782773688 ))) 
6 0.1 0.1 peak 2100 volume 50.47851 ppm1 4.272 ppm2 8.687
 
! ############### C13_CNnoesy_manual.2101 folded +
assi (attr store1 < 1.098 and attr store1 > 0.998 )
     ((attr store1 < 4.302 and attr store1 > 4.242 ) and 
      (bondedto (attr store1 < 107.951722631  and attr store1 > 107.151722631 ) or 
       bondedto (attr store1 < 60.209  and attr store1 > 59.409 ) or 
       bondedto (attr store1 < 12.4662773688  and attr store1 > 11.6662773688 ))) 
6 0.1 0.1 peak 2101 volume 10.95397 ppm1 4.272 ppm2 1.048
 
! ############### C13_CNnoesy_manual.2102 folded +
assi (attr store1 < 2.297 and attr store1 > 2.197 )
     ((attr store1 < 4.301 and attr store1 > 4.241 ) and 
      (bondedto (attr store1 < 107.954722631  and attr store1 > 107.154722631 ) or 
       bondedto (attr store1 < 60.212  and attr store1 > 59.412 ) or 
       bondedto (attr store1 < 12.4692773688  and attr store1 > 11.6692773688 ))) 
6 0.1 0.1 peak 2102 volume 82.74334 ppm1 4.271 ppm2 2.247
 
! ############### C13_CNnoesy_manual.2103 folded +
assi (attr store1 < 2.591 and attr store1 > 2.491 )
     ((attr store1 < 4.214 and attr store1 > 4.154 ) and 
      (bondedto (attr store1 < 107.971722631  and attr store1 > 107.171722631 ) or 
       bondedto (attr store1 < 60.229  and attr store1 > 59.429 ) or 
       bondedto (attr store1 < 12.4862773688  and attr store1 > 11.6862773688 ))) 
6 0.1 0.1 peak 2103 volume 44.18481 ppm1 4.184 ppm2 2.541
 
! ############### C13_CNnoesy_manual.2104 folded +
assi (attr store1 < 2.414 and attr store1 > 2.314 )
     ((attr store1 < 4.214 and attr store1 > 4.154 ) and 
      (bondedto (attr store1 < 107.972722631  and attr store1 > 107.172722631 ) or 
       bondedto (attr store1 < 60.23  and attr store1 > 59.43 ) or 
       bondedto (attr store1 < 12.4872773688  and attr store1 > 11.6872773688 ))) 
6 0.1 0.1 peak 2104 volume 109.84421 ppm1 4.184 ppm2 2.364
 
! ############### C13_CNnoesy_manual.2105 folded +
assi (attr store1 < 2.293 and attr store1 > 2.193 )
     ((attr store1 < 4.213 and attr store1 > 4.153 ) and 
      (bondedto (attr store1 < 107.969722631  and attr store1 > 107.169722631 ) or 
       bondedto (attr store1 < 60.227  and attr store1 > 59.427 ) or 
       bondedto (attr store1 < 12.4842773688  and attr store1 > 11.6842773688 ))) 
6 0.1 0.1 peak 2105 volume 68.34117 ppm1 4.183 ppm2 2.243
 
! ############### C13_CNnoesy_manual.2106 folded +
assi (attr store1 < 1.147 and attr store1 > 1.047 )
     ((attr store1 < 4.213 and attr store1 > 4.153 ) and 
      (bondedto (attr store1 < 108.001722631  and attr store1 > 107.201722631 ) or 
       bondedto (attr store1 < 60.259  and attr store1 > 59.459 ) or 
       bondedto (attr store1 < 12.5162773688  and attr store1 > 11.7162773688 ))) 
6 0.1 0.1 peak 2106 volume 15.06281 ppm1 4.183 ppm2 1.097
 
! ############### C13_CNnoesy_manual.2107 folded +
assi (attr store1 < 8.147 and attr store1 > 8.047 )
     ((attr store1 < 4.134 and attr store1 > 4.074 ) and 
      (bondedto (attr store1 < 107.994722631  and attr store1 > 107.194722631 ) or 
       bondedto (attr store1 < 60.252  and attr store1 > 59.452 ) or 
       bondedto (attr store1 < 12.5092773688  and attr store1 > 11.7092773688 ))) 
6 0.1 0.1 peak 2107 volume 35.53407 ppm1 4.104 ppm2 8.097
 
! ############### C13_CNnoesy_manual.2108 folded +
assi (attr store1 < 7.027 and attr store1 > 6.927 )
     ((attr store1 < 4.133 and attr store1 > 4.073 ) and 
      (bondedto (attr store1 < 107.966722631  and attr store1 > 107.166722631 ) or 
       bondedto (attr store1 < 60.224  and attr store1 > 59.424 ) or 
       bondedto (attr store1 < 12.4812773688  and attr store1 > 11.6812773688 ))) 
6 0.1 0.1 peak 2108 volume 16.90356 ppm1 4.103 ppm2 6.977
 
! ############### C13_CNnoesy_manual.2109 folded +
assi (attr store1 < 4.402 and attr store1 > 4.302 )
     ((attr store1 < 4.137 and attr store1 > 4.077 ) and 
      (bondedto (attr store1 < 108.013722631  and attr store1 > 107.213722631 ) or 
       bondedto (attr store1 < 60.271  and attr store1 > 59.471 ) or 
       bondedto (attr store1 < 12.5282773688  and attr store1 > 11.7282773688 ))) 
6 0.1 0.1 peak 2109 volume 94.59425 ppm1 4.107 ppm2 4.352
 
! ############### C13_CNnoesy_manual.2110 folded +
assi (attr store1 < 3.857 and attr store1 > 3.757 )
     ((attr store1 < 4.137 and attr store1 > 4.077 ) and 
      (bondedto (attr store1 < 108.017722631  and attr store1 > 107.217722631 ) or 
       bondedto (attr store1 < 60.275  and attr store1 > 59.475 ) or 
       bondedto (attr store1 < 12.5322773688  and attr store1 > 11.7322773688 ))) 
6 0.1 0.1 peak 2110 volume 64.39478 ppm1 4.107 ppm2 3.807
 
! ############### C13_CNnoesy_manual.2111 folded +
assi (attr store1 < 2.261 and attr store1 > 2.161 )
     ((attr store1 < 4.133 and attr store1 > 4.073 ) and 
      (bondedto (attr store1 < 107.975722631  and attr store1 > 107.175722631 ) or 
       bondedto (attr store1 < 60.233  and attr store1 > 59.433 ) or 
       bondedto (attr store1 < 12.4902773688  and attr store1 > 11.6902773688 ))) 
6 0.1 0.1 peak 2111 volume 92.59433 ppm1 4.103 ppm2 2.211
 
! ############### C13_CNnoesy_manual.2112 folded +
assi (attr store1 < 1.773 and attr store1 > 1.673 )
     ((attr store1 < 4.136 and attr store1 > 4.076 ) and 
      (bondedto (attr store1 < 107.980722631  and attr store1 > 107.180722631 ) or 
       bondedto (attr store1 < 60.238  and attr store1 > 59.438 ) or 
       bondedto (attr store1 < 12.4952773688  and attr store1 > 11.6952773688 ))) 
6 0.1 0.1 peak 2112 volume 18.63063 ppm1 4.106 ppm2 1.723
 
! ############### C13_CNnoesy_manual.2113 folded +
assi (attr store1 < 1.158 and attr store1 > 1.058 )
     ((attr store1 < 4.133 and attr store1 > 4.073 ) and 
      (bondedto (attr store1 < 107.975722631  and attr store1 > 107.175722631 ) or 
       bondedto (attr store1 < 60.233  and attr store1 > 59.433 ) or 
       bondedto (attr store1 < 12.4902773688  and attr store1 > 11.6902773688 ))) 
6 0.1 0.1 peak 2113 volume 16.81121 ppm1 4.103 ppm2 1.108
 
! ############### C13_CNnoesy_manual.2114 folded +
assi (attr store1 < 0.798 and attr store1 > 0.698 )
     ((attr store1 < 4.137 and attr store1 > 4.077 ) and 
      (bondedto (attr store1 < 108.023722631  and attr store1 > 107.223722631 ) or 
       bondedto (attr store1 < 60.281  and attr store1 > 59.481 ) or 
       bondedto (attr store1 < 12.5382773688  and attr store1 > 11.7382773688 ))) 
6 0.1 0.1 peak 2114 volume 64.19754 ppm1 4.107 ppm2 0.748
 
! ############### C13_CNnoesy_manual.2115 folded +
assi (attr store1 < 7.742 and attr store1 > 7.642 )
     ((attr store1 < 4.128 and attr store1 > 4.068 ) and 
      (bondedto (attr store1 < 107.987722631  and attr store1 > 107.187722631 ) or 
       bondedto (attr store1 < 60.245  and attr store1 > 59.445 ) or 
       bondedto (attr store1 < 12.5022773688  and attr store1 > 11.7022773688 ))) 
6 0.1 0.1 peak 2115 volume 11.91521 ppm1 4.098 ppm2 7.692
 
! ############### C13_CNnoesy_manual.2116 folded +
assi (attr store1 < 6.904 and attr store1 > 6.804 )
     ((attr store1 < 4.132 and attr store1 > 4.072 ) and 
      (bondedto (attr store1 < 108.016722631  and attr store1 > 107.216722631 ) or 
       bondedto (attr store1 < 60.274  and attr store1 > 59.474 ) or 
       bondedto (attr store1 < 12.5312773688  and attr store1 > 11.7312773688 ))) 
6 0.1 0.1 peak 2116 volume 14.86197 ppm1 4.102 ppm2 6.854
 
! ############### C13_CNnoesy_manual.2117 folded +
assi (attr store1 < 4.154 and attr store1 > 4.054 )
     ((attr store1 < 4.125 and attr store1 > 4.065 ) and 
      (bondedto (attr store1 < 108.000722631  and attr store1 > 107.200722631 ) or 
       bondedto (attr store1 < 60.258  and attr store1 > 59.458 ) or 
       bondedto (attr store1 < 12.5152773688  and attr store1 > 11.7152773688 ))) 
6 0.1 0.1 peak 2117 volume 982.45160 ppm1 4.095 ppm2 4.104
 
! ############### C13_CNnoesy_manual.2118 folded +
assi (attr store1 < 2.832 and attr store1 > 2.732 )
     ((attr store1 < 4.131 and attr store1 > 4.071 ) and 
      (bondedto (attr store1 < 107.984722631  and attr store1 > 107.184722631 ) or 
       bondedto (attr store1 < 60.242  and attr store1 > 59.442 ) or 
       bondedto (attr store1 < 12.4992773688  and attr store1 > 11.6992773688 ))) 
6 0.1 0.1 peak 2118 volume 19.86178 ppm1 4.101 ppm2 2.782
 
! ############### C13_CNnoesy_manual.2119 folded +
assi (attr store1 < 2.495 and attr store1 > 2.395 )
     ((attr store1 < 4.131 and attr store1 > 4.071 ) and 
      (bondedto (attr store1 < 107.991722631  and attr store1 > 107.191722631 ) or 
       bondedto (attr store1 < 60.249  and attr store1 > 59.449 ) or 
       bondedto (attr store1 < 12.5062773688  and attr store1 > 11.7062773688 ))) 
6 0.1 0.1 peak 2119 volume 46.84261 ppm1 4.101 ppm2 2.445
 
! ############### C13_CNnoesy_manual.2120 folded +
assi (attr store1 < 1.632 and attr store1 > 1.532 )
     ((attr store1 < 4.127 and attr store1 > 4.067 ) and 
      (bondedto (attr store1 < 108.002722631  and attr store1 > 107.202722631 ) or 
       bondedto (attr store1 < 60.26  and attr store1 > 59.46 ) or 
       bondedto (attr store1 < 12.5172773688  and attr store1 > 11.7172773688 ))) 
6 0.1 0.1 peak 2120 volume 27.21894 ppm1 4.097 ppm2 1.582
 
! ############### C13_CNnoesy_manual.2121 folded +
assi (attr store1 < 1.418 and attr store1 > 1.318 )
     ((attr store1 < 4.13 and attr store1 > 4.07 ) and 
      (bondedto (attr store1 < 108.025722631  and attr store1 > 107.225722631 ) or 
       bondedto (attr store1 < 60.283  and attr store1 > 59.483 ) or 
       bondedto (attr store1 < 12.5402773688  and attr store1 > 11.7402773688 ))) 
6 0.1 0.1 peak 2121 volume 14.08208 ppm1 4.100 ppm2 1.368
 
! ############### C13_CNnoesy_manual.2122 folded +
assi (attr store1 < 8.061 and attr store1 > 7.961 )
     ((attr store1 < 0.772 and attr store1 > 0.712 ) and 
      (bondedto (attr store1 < 108.011722631  and attr store1 > 107.211722631 ) or 
       bondedto (attr store1 < 60.269  and attr store1 > 59.469 ) or 
       bondedto (attr store1 < 12.5262773688  and attr store1 > 11.7262773688 ))) 
6 0.1 0.1 peak 2122 volume 12.38408 ppm1 0.742 ppm2 8.011
 
! ############### C13_CNnoesy_manual.2123 folded +
assi (attr store1 < 2.642 and attr store1 > 2.542 )
     ((attr store1 < 0.774 and attr store1 > 0.714 ) and 
      (bondedto (attr store1 < 108.022722631  and attr store1 > 107.222722631 ) or 
       bondedto (attr store1 < 60.28  and attr store1 > 59.48 ) or 
       bondedto (attr store1 < 12.5372773688  and attr store1 > 11.7372773688 ))) 
6 0.1 0.1 peak 2123 volume 11.36157 ppm1 0.744 ppm2 2.592
 
! ############### C13_CNnoesy_manual.2124 folded +
assi (attr store1 < 0.793 and attr store1 > 0.693 )
     ((attr store1 < 0.771 and attr store1 > 0.711 ) and 
      (bondedto (attr store1 < 108.015722631  and attr store1 > 107.215722631 ) or 
       bondedto (attr store1 < 60.273  and attr store1 > 59.473 ) or 
       bondedto (attr store1 < 12.5302773688  and attr store1 > 11.7302773688 ))) 
6 0.1 0.1 peak 2124 volume 3191.13745 ppm1 0.741 ppm2 0.743
 
! ############### C13_CNnoesy_manual.2125 folded +
assi (attr store1 < 8.714 and attr store1 > 8.614 )
     ((attr store1 < 0.767 and attr store1 > 0.707 ) and 
      (bondedto (attr store1 < 108.009722631  and attr store1 > 107.209722631 ) or 
       bondedto (attr store1 < 60.267  and attr store1 > 59.467 ) or 
       bondedto (attr store1 < 12.5242773688  and attr store1 > 11.7242773688 ))) 
6 0.1 0.1 peak 2125 volume 9.24141 ppm1 0.737 ppm2 8.664
 
! ############### C13_CNnoesy_manual.2126 folded +
assi (attr store1 < 8.464 and attr store1 > 8.364 )
     ((attr store1 < 0.771 and attr store1 > 0.711 ) and 
      (bondedto (attr store1 < 107.992722631  and attr store1 > 107.192722631 ) or 
       bondedto (attr store1 < 60.25  and attr store1 > 59.45 ) or 
       bondedto (attr store1 < 12.5072773688  and attr store1 > 11.7072773688 ))) 
6 0.1 0.1 peak 2126 volume 10.43941 ppm1 0.741 ppm2 8.414
 
! ############### C13_CNnoesy_manual.2127 folded +
assi (attr store1 < 7.758 and attr store1 > 7.658 )
     ((attr store1 < 0.769 and attr store1 > 0.709 ) and 
      (bondedto (attr store1 < 108.018722631  and attr store1 > 107.218722631 ) or 
       bondedto (attr store1 < 60.276  and attr store1 > 59.476 ) or 
       bondedto (attr store1 < 12.5332773688  and attr store1 > 11.7332773688 ))) 
6 0.1 0.1 peak 2127 volume 17.92048 ppm1 0.739 ppm2 7.708
 
! ############### C13_CNnoesy_manual.2128 folded +
assi (attr store1 < 7.278 and attr store1 > 7.178 )
     ((attr store1 < 0.77 and attr store1 > 0.71 ) and 
      (bondedto (attr store1 < 108.032722631  and attr store1 > 107.232722631 ) or 
       bondedto (attr store1 < 60.29  and attr store1 > 59.49 ) or 
       bondedto (attr store1 < 12.5472773688  and attr store1 > 11.7472773688 ))) 
6 0.1 0.1 peak 2128 volume 7.74475 ppm1 0.740 ppm2 7.228
 
! ############### C13_CNnoesy_manual.2129 folded +
assi (attr store1 < 4.883 and attr store1 > 4.783 )
     ((attr store1 < 0.763 and attr store1 > 0.703 ) and 
      (bondedto (attr store1 < 108.013722631  and attr store1 > 107.213722631 ) or 
       bondedto (attr store1 < 60.271  and attr store1 > 59.471 ) or 
       bondedto (attr store1 < 12.5282773688  and attr store1 > 11.7282773688 ))) 
6 0.1 0.1 peak 2129 volume 6.56842 ppm1 0.733 ppm2 4.833
 
! ############### C13_CNnoesy_manual.2130 folded +
assi (attr store1 < 4.314 and attr store1 > 4.214 )
     ((attr store1 < 0.77 and attr store1 > 0.71 ) and 
      (bondedto (attr store1 < 108.026722631  and attr store1 > 107.226722631 ) or 
       bondedto (attr store1 < 60.284  and attr store1 > 59.484 ) or 
       bondedto (attr store1 < 12.5412773688  and attr store1 > 11.7412773688 ))) 
6 0.1 0.1 peak 2130 volume 10.93526 ppm1 0.740 ppm2 4.264
 
! ############### C13_CNnoesy_manual.2131 folded +
assi (attr store1 < 4.136 and attr store1 > 4.036 )
     ((attr store1 < 0.771 and attr store1 > 0.711 ) and 
      (bondedto (attr store1 < 108.012722631  and attr store1 > 107.212722631 ) or 
       bondedto (attr store1 < 60.27  and attr store1 > 59.47 ) or 
       bondedto (attr store1 < 12.5272773688  and attr store1 > 11.7272773688 ))) 
6 0.1 0.1 peak 2131 volume 76.07845 ppm1 0.741 ppm2 4.086
 
! ############### C13_CNnoesy_manual.2132 folded +
assi (attr store1 < 2.35 and attr store1 > 2.25 )
     ((attr store1 < 0.768 and attr store1 > 0.708 ) and 
      (bondedto (attr store1 < 108.032722631  and attr store1 > 107.232722631 ) or 
       bondedto (attr store1 < 60.29  and attr store1 > 59.49 ) or 
       bondedto (attr store1 < 12.5472773688  and attr store1 > 11.7472773688 ))) 
6 0.1 0.1 peak 2132 volume 43.47601 ppm1 0.738 ppm2 2.300
 
! ############### C13_CNnoesy_manual.2133 folded +
assi (attr store1 < 1.788 and attr store1 > 1.688 )
     ((attr store1 < 0.77 and attr store1 > 0.71 ) and 
      (bondedto (attr store1 < 108.008722631  and attr store1 > 107.208722631 ) or 
       bondedto (attr store1 < 60.266  and attr store1 > 59.466 ) or 
       bondedto (attr store1 < 12.5232773688  and attr store1 > 11.7232773688 ))) 
6 0.1 0.1 peak 2133 volume 60.80946 ppm1 0.740 ppm2 1.738
 
! ############### C13_CNnoesy_manual.2134 folded +
assi (attr store1 < 1.6 and attr store1 > 1.5 )
     ((attr store1 < 0.771 and attr store1 > 0.711 ) and 
      (bondedto (attr store1 < 108.013722631  and attr store1 > 107.213722631 ) or 
       bondedto (attr store1 < 60.271  and attr store1 > 59.471 ) or 
       bondedto (attr store1 < 12.5282773688  and attr store1 > 11.7282773688 ))) 
6 0.1 0.1 peak 2134 volume 114.38508 ppm1 0.741 ppm2 1.550
 
! ############### C13_CNnoesy_manual.2135 folded +
assi (attr store1 < 1.403 and attr store1 > 1.303 )
     ((attr store1 < 0.77 and attr store1 > 0.71 ) and 
      (bondedto (attr store1 < 108.018722631  and attr store1 > 107.218722631 ) or 
       bondedto (attr store1 < 60.276  and attr store1 > 59.476 ) or 
       bondedto (attr store1 < 12.5332773688  and attr store1 > 11.7332773688 ))) 
6 0.1 0.1 peak 2135 volume 114.26308 ppm1 0.740 ppm2 1.353
 
! ############### C13_CNnoesy_manual.2136 folded +
assi (attr store1 < 0.954 and attr store1 > 0.854 )
     ((attr store1 < 0.77 and attr store1 > 0.71 ) and 
      (bondedto (attr store1 < 108.021722631  and attr store1 > 107.221722631 ) or 
       bondedto (attr store1 < 60.279  and attr store1 > 59.479 ) or 
       bondedto (attr store1 < 12.5362773688  and attr store1 > 11.7362773688 ))) 
6 0.1 0.1 peak 2136 volume 230.34329 ppm1 0.740 ppm2 0.904
 
! ############### C13_CNnoesy_manual.2137 folded +
assi (attr store1 < 0.622 and attr store1 > 0.522 )
     ((attr store1 < 0.769 and attr store1 > 0.709 ) and 
      (bondedto (attr store1 < 108.013722631  and attr store1 > 107.213722631 ) or 
       bondedto (attr store1 < 60.271  and attr store1 > 59.471 ) or 
       bondedto (attr store1 < 12.5282773688  and attr store1 > 11.7282773688 ))) 
6 0.1 0.1 peak 2137 volume 49.30967 ppm1 0.739 ppm2 0.572
 
! ############### C13_CNnoesy_manual.2138 folded +
assi (attr store1 < 0.518 and attr store1 > 0.418 )
     ((attr store1 < 0.766 and attr store1 > 0.706 ) and 
      (bondedto (attr store1 < 108.015722631  and attr store1 > 107.215722631 ) or 
       bondedto (attr store1 < 60.273  and attr store1 > 59.473 ) or 
       bondedto (attr store1 < 12.5302773688  and attr store1 > 11.7302773688 ))) 
6 0.1 0.1 peak 2138 volume 17.51629 ppm1 0.736 ppm2 0.468
 
! ############### C13_CNnoesy_manual.2139 folded +
assi (attr store1 < 0.418 and attr store1 > 0.318 )
     ((attr store1 < 0.764 and attr store1 > 0.704 ) and 
      (bondedto (attr store1 < 108.028722631  and attr store1 > 107.228722631 ) or 
       bondedto (attr store1 < 60.286  and attr store1 > 59.486 ) or 
       bondedto (attr store1 < 12.5432773688  and attr store1 > 11.7432773688 ))) 
6 0.1 0.1 peak 2139 volume 9.77198 ppm1 0.734 ppm2 0.368
 
! ############### C13_CNnoesy_manual.2140 folded +
assi (attr store1 < 0.315 and attr store1 > 0.215 )
     ((attr store1 < 0.765 and attr store1 > 0.705 ) and 
      (bondedto (attr store1 < 107.996722631  and attr store1 > 107.196722631 ) or 
       bondedto (attr store1 < 60.254  and attr store1 > 59.454 ) or 
       bondedto (attr store1 < 12.5112773688  and attr store1 > 11.7112773688 ))) 
6 0.1 0.1 peak 2140 volume 7.72279 ppm1 0.735 ppm2 0.265
 
! ############### C13_CNnoesy_manual.2141 folded +
assi (attr store1 < 0.135 and attr store1 > 0.035 )
     ((attr store1 < 0.77 and attr store1 > 0.71 ) and 
      (bondedto (attr store1 < 108.006722631  and attr store1 > 107.206722631 ) or 
       bondedto (attr store1 < 60.264  and attr store1 > 59.464 ) or 
       bondedto (attr store1 < 12.5212773688  and attr store1 > 11.7212773688 ))) 
6 0.1 0.1 peak 2141 volume 57.92533 ppm1 0.740 ppm2 0.085
 
! ############### C13_CNnoesy_manual.2142 folded -
assi (attr store1 < 8.055 and attr store1 > 7.955 )
     ((attr store1 < 2.264 and attr store1 > 2.204 ) and 
      (bondedto (attr store1 < 131.857083947  and attr store1 > 131.057083947 ) or 
       bondedto (attr store1 < 36.3716386844  and attr store1 > 35.5716386844 ))) 
6 0.1 0.1 peak 2142 volume 56.12529 ppm1 2.234 ppm2 8.005
 
! ############### C13_CNnoesy_manual.2143 folded -
assi (attr store1 < 4.11 and attr store1 > 4.01 )
     ((attr store1 < 2.262 and attr store1 > 2.202 ) and 
      (bondedto (attr store1 < 131.887083947  and attr store1 > 131.087083947 ) or 
       bondedto (attr store1 < 36.4016386844  and attr store1 > 35.6016386844 ))) 
6 0.1 0.1 peak 2143 volume 40.28271 ppm1 2.232 ppm2 4.060
 
! ############### C13_CNnoesy_manual.2144 folded -
assi (attr store1 < 2.012 and attr store1 > 1.912 )
     ((attr store1 < 2.263 and attr store1 > 2.203 ) and 
      (bondedto (attr store1 < 131.851083947  and attr store1 > 131.051083947 ) or 
       bondedto (attr store1 < 36.3656386844  and attr store1 > 35.5656386844 ))) 
6 0.1 0.1 peak 2144 volume 47.10661 ppm1 2.233 ppm2 1.962
 
! ############### C13_CNnoesy_manual.2145 folded -
assi (attr store1 < 1.532 and attr store1 > 1.432 )
     ((attr store1 < 2.263 and attr store1 > 2.203 ) and 
      (bondedto (attr store1 < 131.844083947  and attr store1 > 131.044083947 ) or 
       bondedto (attr store1 < 36.3586386844  and attr store1 > 35.5586386844 ))) 
6 0.1 0.1 peak 2145 volume 35.37198 ppm1 2.233 ppm2 1.482
 
! ############### C13_CNnoesy_manual.2146 folded -
assi (attr store1 < 1.16 and attr store1 > 1.06 )
     ((attr store1 < 2.264 and attr store1 > 2.204 ) and 
      (bondedto (attr store1 < 131.840083947  and attr store1 > 131.040083947 ) or 
       bondedto (attr store1 < 36.3546386844  and attr store1 > 35.5546386844 ))) 
6 0.1 0.1 peak 2146 volume 54.64865 ppm1 2.234 ppm2 1.110
 
! ############### C13_CNnoesy_manual.2147 folded +
assi (attr store1 < 7.062 and attr store1 > 6.962 )
     ((attr store1 < 4.302 and attr store1 > 4.242 ) and 
      (bondedto (attr store1 < 107.926722631  and attr store1 > 107.126722631 ) or 
       bondedto (attr store1 < 60.184  and attr store1 > 59.384 ) or 
       bondedto (attr store1 < 12.4412773688  and attr store1 > 11.6412773688 ))) 
6 0.1 0.1 peak 2147 volume 14.68165 ppm1 4.272 ppm2 7.012
 
! ############### C13_CNnoesy_manual.2148 folded +
assi (attr store1 < 2.507 and attr store1 > 2.407 )
     ((attr store1 < 4.302 and attr store1 > 4.242 ) and 
      (bondedto (attr store1 < 107.935722631  and attr store1 > 107.135722631 ) or 
       bondedto (attr store1 < 60.193  and attr store1 > 59.393 ) or 
       bondedto (attr store1 < 12.4502773688  and attr store1 > 11.6502773688 ))) 
6 0.1 0.1 peak 2148 volume 49.77841 ppm1 4.272 ppm2 2.457
 
! ############### C13_CNnoesy_manual.2149 folded +
assi (attr store1 < 2.172 and attr store1 > 2.072 )
     ((attr store1 < 4.303 and attr store1 > 4.243 ) and 
      (bondedto (attr store1 < 107.946722631  and attr store1 > 107.146722631 ) or 
       bondedto (attr store1 < 60.204  and attr store1 > 59.404 ) or 
       bondedto (attr store1 < 12.4612773688  and attr store1 > 11.6612773688 ))) 
6 0.1 0.1 peak 2149 volume 81.37357 ppm1 4.273 ppm2 2.122
 
! ############### C13_CNnoesy_manual.2150 folded +
assi (attr store1 < 4.316 and attr store1 > 4.216 )
     ((attr store1 < 4.298 and attr store1 > 4.238 ) and 
      (bondedto (attr store1 < 107.937722631  and attr store1 > 107.137722631 ) or 
       bondedto (attr store1 < 60.195  and attr store1 > 59.395 ) or 
       bondedto (attr store1 < 12.4522773688  and attr store1 > 11.6522773688 ))) 
6 0.1 0.1 peak 2150 volume 953.23828 ppm1 4.268 ppm2 4.266
 
! ############### C13_CNnoesy_manual.2151 folded +
assi (attr store1 < 3.858 and attr store1 > 3.758 )
     ((attr store1 < 4.301 and attr store1 > 4.241 ) and 
      (bondedto (attr store1 < 107.906722631  and attr store1 > 107.106722631 ) or 
       bondedto (attr store1 < 60.164  and attr store1 > 59.364 ) or 
       bondedto (attr store1 < 12.4212773688  and attr store1 > 11.6212773688 ))) 
6 0.1 0.1 peak 2151 volume 5.74164 ppm1 4.271 ppm2 3.808
 
! ############### C13_CNnoesy_manual.2152 folded +
assi (attr store1 < 8.211 and attr store1 > 8.111 )
     ((attr store1 < 4.213 and attr store1 > 4.153 ) and 
      (bondedto (attr store1 < 107.927722631  and attr store1 > 107.127722631 ) or 
       bondedto (attr store1 < 60.185  and attr store1 > 59.385 ) or 
       bondedto (attr store1 < 12.4422773688  and attr store1 > 11.6422773688 ))) 
6 0.1 0.1 peak 2152 volume 15.10662 ppm1 4.183 ppm2 8.161
 
! ############### C13_CNnoesy_manual.2153 folded +
assi (attr store1 < 8.084 and attr store1 > 7.984 )
     ((attr store1 < 4.208 and attr store1 > 4.148 ) and 
      (bondedto (attr store1 < 107.940722631  and attr store1 > 107.140722631 ) or 
       bondedto (attr store1 < 60.198  and attr store1 > 59.398 ) or 
       bondedto (attr store1 < 12.4552773688  and attr store1 > 11.6552773688 ))) 
6 0.1 0.1 peak 2153 volume 52.50166 ppm1 4.178 ppm2 8.034
 
! ############### C13_CNnoesy_manual.2154 folded +
assi (attr store1 < 4.208 and attr store1 > 4.108 )
     ((attr store1 < 4.198 and attr store1 > 4.138 ) and 
      (bondedto (attr store1 < 107.904722631  and attr store1 > 107.104722631 ) or 
       bondedto (attr store1 < 60.162  and attr store1 > 59.362 ) or 
       bondedto (attr store1 < 12.4192773688  and attr store1 > 11.6192773688 ))) 
6 0.1 0.1 peak 2154 volume 1183.72559 ppm1 4.168 ppm2 4.158
 
! ############### C13_CNnoesy_manual.2155 folded +
assi (attr store1 < 8.464 and attr store1 > 8.364 )
     ((attr store1 < 4.189 and attr store1 > 4.129 ) and 
      (bondedto (attr store1 < 107.820722631  and attr store1 > 107.020722631 ) or 
       bondedto (attr store1 < 60.078  and attr store1 > 59.278 ) or 
       bondedto (attr store1 < 12.3352773688  and attr store1 > 11.5352773688 ))) 
6 0.1 0.1 peak 2155 volume 35.40654 ppm1 4.159 ppm2 8.414
 
! ############### C13_CNnoesy_manual.2156 folded +
assi (attr store1 < 7.787 and attr store1 > 7.687 )
     ((attr store1 < 4.187 and attr store1 > 4.127 ) and 
      (bondedto (attr store1 < 107.813722631  and attr store1 > 107.013722631 ) or 
       bondedto (attr store1 < 60.071  and attr store1 > 59.271 ) or 
       bondedto (attr store1 < 12.3282773688  and attr store1 > 11.5282773688 ))) 
6 0.1 0.1 peak 2156 volume 15.49785 ppm1 4.157 ppm2 7.737
 
! ############### C13_CNnoesy_manual.2157 folded +
assi (attr store1 < 2.98 and attr store1 > 2.88 )
     ((attr store1 < 4.189 and attr store1 > 4.129 ) and 
      (bondedto (attr store1 < 107.799722631  and attr store1 > 106.999722631 ) or 
       bondedto (attr store1 < 60.057  and attr store1 > 59.257 ) or 
       bondedto (attr store1 < 12.3142773688  and attr store1 > 11.5142773688 ))) 
6 0.1 0.1 peak 2157 volume 50.46672 ppm1 4.159 ppm2 2.930
 
! ############### C13_CNnoesy_manual.2158 folded +
assi (attr store1 < 2.075 and attr store1 > 1.975 )
     ((attr store1 < 4.189 and attr store1 > 4.129 ) and 
      (bondedto (attr store1 < 107.806722631  and attr store1 > 107.006722631 ) or 
       bondedto (attr store1 < 60.064  and attr store1 > 59.264 ) or 
       bondedto (attr store1 < 12.3212773688  and attr store1 > 11.5212773688 ))) 
6 0.1 0.1 peak 2158 volume 114.93353 ppm1 4.159 ppm2 2.025
 
! ############### C13_CNnoesy_manual.2159 folded +
assi (attr store1 < 1.835 and attr store1 > 1.735 )
     ((attr store1 < 4.19 and attr store1 > 4.13 ) and 
      (bondedto (attr store1 < 107.825722631  and attr store1 > 107.025722631 ) or 
       bondedto (attr store1 < 60.083  and attr store1 > 59.283 ) or 
       bondedto (attr store1 < 12.3402773688  and attr store1 > 11.5402773688 ))) 
6 0.1 0.1 peak 2159 volume 45.82878 ppm1 4.160 ppm2 1.785
 
! ############### C13_CNnoesy_manual.2160 folded +
assi (attr store1 < 1.651 and attr store1 > 1.551 )
     ((attr store1 < 4.188 and attr store1 > 4.128 ) and 
      (bondedto (attr store1 < 107.817722631  and attr store1 > 107.017722631 ) or 
       bondedto (attr store1 < 60.075  and attr store1 > 59.275 ) or 
       bondedto (attr store1 < 12.3322773688  and attr store1 > 11.5322773688 ))) 
6 0.1 0.1 peak 2160 volume 48.59085 ppm1 4.158 ppm2 1.601
 
! ############### C13_CNnoesy_manual.2161 folded +
assi (attr store1 < 9.052 and attr store1 > 8.952 )
     ((attr store1 < 3.886 and attr store1 > 3.826 ) and 
      (bondedto (attr store1 < 107.679722631  and attr store1 > 106.879722631 ) or 
       bondedto (attr store1 < 59.937  and attr store1 > 59.137 ) or 
       bondedto (attr store1 < 12.1942773688  and attr store1 > 11.3942773688 ))) 
6 0.1 0.1 peak 2161 volume 18.57670 ppm1 3.856 ppm2 9.002
 
! ############### C13_CNnoesy_manual.2162 folded +
assi (attr store1 < 7.035 and attr store1 > 6.935 )
     ((attr store1 < 3.885 and attr store1 > 3.825 ) and 
      (bondedto (attr store1 < 107.719722631  and attr store1 > 106.919722631 ) or 
       bondedto (attr store1 < 59.977  and attr store1 > 59.177 ) or 
       bondedto (attr store1 < 12.2342773688  and attr store1 > 11.4342773688 ))) 
6 0.1 0.1 peak 2162 volume 13.73436 ppm1 3.855 ppm2 6.985
 
! ############### C13_CNnoesy_manual.2163 folded +
assi (attr store1 < 4.892 and attr store1 > 4.792 )
     ((attr store1 < 3.887 and attr store1 > 3.827 ) and 
      (bondedto (attr store1 < 107.669722631  and attr store1 > 106.869722631 ) or 
       bondedto (attr store1 < 59.927  and attr store1 > 59.127 ) or 
       bondedto (attr store1 < 12.1842773688  and attr store1 > 11.3842773688 ))) 
6 0.1 0.1 peak 2163 volume 20.94752 ppm1 3.857 ppm2 4.842
 
! ############### C13_CNnoesy_manual.2164 folded +
assi (attr store1 < 3.906 and attr store1 > 3.806 )
     ((attr store1 < 3.886 and attr store1 > 3.826 ) and 
      (bondedto (attr store1 < 107.694722631  and attr store1 > 106.894722631 ) or 
       bondedto (attr store1 < 59.952  and attr store1 > 59.152 ) or 
       bondedto (attr store1 < 12.2092773688  and attr store1 > 11.4092773688 ))) 
6 0.1 0.1 peak 2164 volume 664.69885 ppm1 3.856 ppm2 3.856
 
! ############### C13_CNnoesy_manual.2165 folded +
assi (attr store1 < 2.622 and attr store1 > 2.522 )
     ((attr store1 < 3.886 and attr store1 > 3.826 ) and 
      (bondedto (attr store1 < 107.695722631  and attr store1 > 106.895722631 ) or 
       bondedto (attr store1 < 59.953  and attr store1 > 59.153 ) or 
       bondedto (attr store1 < 12.2102773688  and attr store1 > 11.4102773688 ))) 
6 0.1 0.1 peak 2165 volume 44.89334 ppm1 3.856 ppm2 2.572
 
! ############### C13_CNnoesy_manual.2166 folded +
assi (attr store1 < 2.267 and attr store1 > 2.167 )
     ((attr store1 < 3.886 and attr store1 > 3.826 ) and 
      (bondedto (attr store1 < 107.697722631  and attr store1 > 106.897722631 ) or 
       bondedto (attr store1 < 59.955  and attr store1 > 59.155 ) or 
       bondedto (attr store1 < 12.2122773688  and attr store1 > 11.4122773688 ))) 
6 0.1 0.1 peak 2166 volume 52.23713 ppm1 3.856 ppm2 2.217
 
! ############### C13_CNnoesy_manual.2167 folded +
assi (attr store1 < 2.151 and attr store1 > 2.051 )
     ((attr store1 < 3.886 and attr store1 > 3.826 ) and 
      (bondedto (attr store1 < 107.698722631  and attr store1 > 106.898722631 ) or 
       bondedto (attr store1 < 59.956  and attr store1 > 59.156 ) or 
       bondedto (attr store1 < 12.2132773688  and attr store1 > 11.4132773688 ))) 
6 0.1 0.1 peak 2167 volume 52.33037 ppm1 3.856 ppm2 2.101
 
! ############### C13_CNnoesy_manual.2168 folded +
assi (attr store1 < 7.875 and attr store1 > 7.775 )
     ((attr store1 < 3.885 and attr store1 > 3.825 ) and 
      (bondedto (attr store1 < 107.666722631  and attr store1 > 106.866722631 ) or 
       bondedto (attr store1 < 59.924  and attr store1 > 59.124 ) or 
       bondedto (attr store1 < 12.1812773688  and attr store1 > 11.3812773688 ))) 
6 0.1 0.1 peak 2168 volume 15.60659 ppm1 3.855 ppm2 7.825
 
! ############### C13_CNnoesy_manual.2169 folded +
assi (attr store1 < 4.061 and attr store1 > 3.961 )
     ((attr store1 < 3.888 and attr store1 > 3.828 ) and 
      (bondedto (attr store1 < 107.553722631  and attr store1 > 106.753722631 ) or 
       bondedto (attr store1 < 59.811  and attr store1 > 59.011 ) or 
       bondedto (attr store1 < 12.0682773688  and attr store1 > 11.2682773688 ))) 
6 0.1 0.1 peak 2169 volume 23.99312 ppm1 3.858 ppm2 4.011
 
! ############### C13_CNnoesy_manual.2170 folded +
assi (attr store1 < 8.038 and attr store1 > 7.938 )
     ((attr store1 < 4.045 and attr store1 > 3.985 ) and 
      (bondedto (attr store1 < 107.414722631  and attr store1 > 106.614722631 ) or 
       bondedto (attr store1 < 59.672  and attr store1 > 58.872 ) or 
       bondedto (attr store1 < 11.9292773688  and attr store1 > 11.1292773688 ))) 
6 0.1 0.1 peak 2170 volume 33.95718 ppm1 4.015 ppm2 7.988
 
! ############### C13_CNnoesy_manual.2171 folded +
assi (attr store1 < 3.498 and attr store1 > 3.398 )
     ((attr store1 < 4.045 and attr store1 > 3.985 ) and 
      (bondedto (attr store1 < 107.407722631  and attr store1 > 106.607722631 ) or 
       bondedto (attr store1 < 59.665  and attr store1 > 58.865 ) or 
       bondedto (attr store1 < 11.9222773688  and attr store1 > 11.1222773688 ))) 
6 0.1 0.1 peak 2171 volume 7.98349 ppm1 4.015 ppm2 3.448
 
! ############### C13_CNnoesy_manual.2172 folded +
assi (attr store1 < 2.847 and attr store1 > 2.747 )
     ((attr store1 < 4.048 and attr store1 > 3.988 ) and 
      (bondedto (attr store1 < 107.430722631  and attr store1 > 106.630722631 ) or 
       bondedto (attr store1 < 59.688  and attr store1 > 58.888 ) or 
       bondedto (attr store1 < 11.9452773688  and attr store1 > 11.1452773688 ))) 
6 0.1 0.1 peak 2172 volume 14.07678 ppm1 4.018 ppm2 2.797
 
! ############### C13_CNnoesy_manual.2173 folded +
assi (attr store1 < 1.448 and attr store1 > 1.348 )
     ((attr store1 < 4.045 and attr store1 > 3.985 ) and 
      (bondedto (attr store1 < 107.435722631  and attr store1 > 106.635722631 ) or 
       bondedto (attr store1 < 59.693  and attr store1 > 58.893 ) or 
       bondedto (attr store1 < 11.9502773688  and attr store1 > 11.1502773688 ))) 
6 0.1 0.1 peak 2173 volume 37.80266 ppm1 4.015 ppm2 1.398
 
! ############### C13_CNnoesy_manual.2174 folded +
assi (attr store1 < 1.216 and attr store1 > 1.116 )
     ((attr store1 < 4.043 and attr store1 > 3.983 ) and 
      (bondedto (attr store1 < 107.451722631  and attr store1 > 106.651722631 ) or 
       bondedto (attr store1 < 59.709  and attr store1 > 58.909 ) or 
       bondedto (attr store1 < 11.9662773688  and attr store1 > 11.1662773688 ))) 
6 0.1 0.1 peak 2174 volume 65.33422 ppm1 4.013 ppm2 1.166
 
! ############### C13_CNnoesy_manual.2175 folded +
assi (attr store1 < 8.243 and attr store1 > 8.143 )
     ((attr store1 < 4.046 and attr store1 > 3.986 ) and 
      (bondedto (attr store1 < 107.349722631  and attr store1 > 106.549722631 ) or 
       bondedto (attr store1 < 59.607  and attr store1 > 58.807 ) or 
       bondedto (attr store1 < 11.8642773688  and attr store1 > 11.0642773688 ))) 
6 0.1 0.1 peak 2175 volume 26.04961 ppm1 4.016 ppm2 8.193
 
! ############### C13_CNnoesy_manual.2176 folded +
assi (attr store1 < 4.891 and attr store1 > 4.791 )
     ((attr store1 < 4.049 and attr store1 > 3.989 ) and 
      (bondedto (attr store1 < 107.344722631  and attr store1 > 106.544722631 ) or 
       bondedto (attr store1 < 59.602  and attr store1 > 58.802 ) or 
       bondedto (attr store1 < 11.8592773688  and attr store1 > 11.0592773688 ))) 
6 0.1 0.1 peak 2176 volume 33.26425 ppm1 4.019 ppm2 4.841
 
! ############### C13_CNnoesy_manual.2177 folded +
assi (attr store1 < 4.064 and attr store1 > 3.964 )
     ((attr store1 < 4.048 and attr store1 > 3.988 ) and 
      (bondedto (attr store1 < 107.353722631  and attr store1 > 106.553722631 ) or 
       bondedto (attr store1 < 59.611  and attr store1 > 58.811 ) or 
       bondedto (attr store1 < 11.8682773688  and attr store1 > 11.0682773688 ))) 
6 0.1 0.1 peak 2177 volume 1308.10132 ppm1 4.018 ppm2 4.014
 
! ############### C13_CNnoesy_manual.2178 folded +
assi (attr store1 < 5.051 and attr store1 > 4.951 )
     ((attr store1 < 4.052 and attr store1 > 3.992 ) and 
      (bondedto (attr store1 < 107.280722631  and attr store1 > 106.480722631 ) or 
       bondedto (attr store1 < 59.538  and attr store1 > 58.738 ) or 
       bondedto (attr store1 < 11.7952773688  and attr store1 > 10.9952773688 ))) 
6 0.1 0.1 peak 2178 volume 5.56161 ppm1 4.022 ppm2 5.001
 
! ############### C13_CNnoesy_manual.2179 folded +
assi (attr store1 < 1.835 and attr store1 > 1.735 )
     ((attr store1 < 4.05 and attr store1 > 3.99 ) and 
      (bondedto (attr store1 < 107.272722631  and attr store1 > 106.472722631 ) or 
       bondedto (attr store1 < 59.53  and attr store1 > 58.73 ) or 
       bondedto (attr store1 < 11.7872773688  and attr store1 > 10.9872773688 ))) 
6 0.1 0.1 peak 2179 volume 78.62117 ppm1 4.020 ppm2 1.785
 
! ############### C13_CNnoesy_manual.2180 folded +
assi (attr store1 < 1.659 and attr store1 > 1.559 )
     ((attr store1 < 4.049 and attr store1 > 3.989 ) and 
      (bondedto (attr store1 < 107.293722631  and attr store1 > 106.493722631 ) or 
       bondedto (attr store1 < 59.551  and attr store1 > 58.751 ) or 
       bondedto (attr store1 < 11.8082773688  and attr store1 > 11.0082773688 ))) 
6 0.1 0.1 peak 2180 volume 90.72739 ppm1 4.019 ppm2 1.609
 
! ############### C13_CNnoesy_manual.2181 folded +
assi (attr store1 < 1.109 and attr store1 > 1.009 )
     ((attr store1 < 4.569 and attr store1 > 4.509 ) and 
      (bondedto (attr store1 < 107.142722631  and attr store1 > 106.342722631 ) or 
       bondedto (attr store1 < 59.4  and attr store1 > 58.6 ) or 
       bondedto (attr store1 < 11.6572773688  and attr store1 > 10.8572773688 ))) 
6 0.1 0.1 peak 2181 volume 14.94396 ppm1 4.539 ppm2 1.059
 
! ############### C13_CNnoesy_manual.2182 folded +
assi (attr store1 < 4.89 and attr store1 > 4.79 )
     ((attr store1 < 4.338 and attr store1 > 4.278 ) and 
      (bondedto (attr store1 < 107.117722631  and attr store1 > 106.317722631 ) or 
       bondedto (attr store1 < 59.375  and attr store1 > 58.575 ) or 
       bondedto (attr store1 < 11.6322773688  and attr store1 > 10.8322773688 ))) 
6 0.1 0.1 peak 2182 volume 16.93906 ppm1 4.308 ppm2 4.840
 
! ############### C13_CNnoesy_manual.2183 folded +
assi (attr store1 < 7.847 and attr store1 > 7.747 )
     ((attr store1 < 4.098 and attr store1 > 4.038 ) and 
      (bondedto (attr store1 < 107.148722631  and attr store1 > 106.348722631 ) or 
       bondedto (attr store1 < 59.406  and attr store1 > 58.606 ) or 
       bondedto (attr store1 < 11.6632773688  and attr store1 > 10.8632773688 ))) 
6 0.1 0.1 peak 2183 volume 31.25764 ppm1 4.068 ppm2 7.797
 
! ############### C13_CNnoesy_manual.2184 folded +
assi (attr store1 < 7.546 and attr store1 > 7.446 )
     ((attr store1 < 4.099 and attr store1 > 4.039 ) and 
      (bondedto (attr store1 < 107.137722631  and attr store1 > 106.337722631 ) or 
       bondedto (attr store1 < 59.395  and attr store1 > 58.595 ) or 
       bondedto (attr store1 < 11.6522773688  and attr store1 > 10.8522773688 ))) 
6 0.1 0.1 peak 2184 volume 10.57514 ppm1 4.069 ppm2 7.496
 
! ############### C13_CNnoesy_manual.2185 folded +
assi (attr store1 < 4.115 and attr store1 > 4.015 )
     ((attr store1 < 4.095 and attr store1 > 4.035 ) and 
      (bondedto (attr store1 < 107.151722631  and attr store1 > 106.351722631 ) or 
       bondedto (attr store1 < 59.409  and attr store1 > 58.609 ) or 
       bondedto (attr store1 < 11.6662773688  and attr store1 > 10.8662773688 ))) 
6 0.1 0.1 peak 2185 volume 652.70386 ppm1 4.065 ppm2 4.065
 
! ############### C13_CNnoesy_manual.2186 folded +
assi (attr store1 < 2.45 and attr store1 > 2.35 )
     ((attr store1 < 4.098 and attr store1 > 4.038 ) and 
      (bondedto (attr store1 < 107.139722631  and attr store1 > 106.339722631 ) or 
       bondedto (attr store1 < 59.397  and attr store1 > 58.597 ) or 
       bondedto (attr store1 < 11.6542773688  and attr store1 > 10.8542773688 ))) 
6 0.1 0.1 peak 2186 volume 37.14205 ppm1 4.068 ppm2 2.400
 
! ############### C13_CNnoesy_manual.2187 folded +
assi (attr store1 < 2.298 and attr store1 > 2.198 )
     ((attr store1 < 4.098 and attr store1 > 4.038 ) and 
      (bondedto (attr store1 < 107.135722631  and attr store1 > 106.335722631 ) or 
       bondedto (attr store1 < 59.393  and attr store1 > 58.593 ) or 
       bondedto (attr store1 < 11.6502773688  and attr store1 > 10.8502773688 ))) 
6 0.1 0.1 peak 2187 volume 78.05402 ppm1 4.068 ppm2 2.248
 
! ############### C13_CNnoesy_manual.2188 folded +
assi (attr store1 < 4.891 and attr store1 > 4.791 )
     ((attr store1 < 4.09 and attr store1 > 4.03 ) and 
      (bondedto (attr store1 < 107.195722631  and attr store1 > 106.395722631 ) or 
       bondedto (attr store1 < 59.453  and attr store1 > 58.653 ) or 
       bondedto (attr store1 < 11.7102773688  and attr store1 > 10.9102773688 ))) 
6 0.1 0.1 peak 2188 volume 25.70457 ppm1 4.060 ppm2 4.841
 
! ############### C13_CNnoesy_manual.2189 folded +
assi (attr store1 < 8.15 and attr store1 > 8.05 )
     ((attr store1 < 4.334 and attr store1 > 4.274 ) and 
      (bondedto (attr store1 < 107.051722631  and attr store1 > 106.251722631 ) or 
       bondedto (attr store1 < 59.309  and attr store1 > 58.509 ) or 
       bondedto (attr store1 < 11.5662773688  and attr store1 > 10.7662773688 ))) 
6 0.1 0.1 peak 2189 volume 16.56035 ppm1 4.304 ppm2 8.100
 
! ############### C13_CNnoesy_manual.2190 folded +
assi (attr store1 < 4.352 and attr store1 > 4.252 )
     ((attr store1 < 4.334 and attr store1 > 4.274 ) and 
      (bondedto (attr store1 < 107.019722631  and attr store1 > 106.219722631 ) or 
       bondedto (attr store1 < 59.277  and attr store1 > 58.477 ) or 
       bondedto (attr store1 < 11.5342773688  and attr store1 > 10.7342773688 ))) 
6 0.1 0.1 peak 2190 volume 616.65906 ppm1 4.304 ppm2 4.302
 
! ############### C13_CNnoesy_manual.2191 folded +
assi (attr store1 < 3.404 and attr store1 > 3.304 )
     ((attr store1 < 4.334 and attr store1 > 4.274 ) and 
      (bondedto (attr store1 < 107.050722631  and attr store1 > 106.250722631 ) or 
       bondedto (attr store1 < 59.308  and attr store1 > 58.508 ) or 
       bondedto (attr store1 < 11.5652773688  and attr store1 > 10.7652773688 ))) 
6 0.1 0.1 peak 2191 volume 30.84757 ppm1 4.304 ppm2 3.354
 
! ############### C13_CNnoesy_manual.2192 folded +
assi (attr store1 < 2.836 and attr store1 > 2.736 )
     ((attr store1 < 4.334 and attr store1 > 4.274 ) and 
      (bondedto (attr store1 < 107.059722631  and attr store1 > 106.259722631 ) or 
       bondedto (attr store1 < 59.317  and attr store1 > 58.517 ) or 
       bondedto (attr store1 < 11.5742773688  and attr store1 > 10.7742773688 ))) 
6 0.1 0.1 peak 2192 volume 12.68614 ppm1 4.304 ppm2 2.786
 
! ############### C13_CNnoesy_manual.2193 folded +
assi (attr store1 < 2.507 and attr store1 > 2.407 )
     ((attr store1 < 4.334 and attr store1 > 4.274 ) and 
      (bondedto (attr store1 < 107.024722631  and attr store1 > 106.224722631 ) or 
       bondedto (attr store1 < 59.282  and attr store1 > 58.482 ) or 
       bondedto (attr store1 < 11.5392773688  and attr store1 > 10.7392773688 ))) 
6 0.1 0.1 peak 2193 volume 27.85373 ppm1 4.304 ppm2 2.457
 
! ############### C13_CNnoesy_manual.2194 folded +
assi (attr store1 < 2.026 and attr store1 > 1.926 )
     ((attr store1 < 4.333 and attr store1 > 4.273 ) and 
      (bondedto (attr store1 < 107.050722631  and attr store1 > 106.250722631 ) or 
       bondedto (attr store1 < 59.308  and attr store1 > 58.508 ) or 
       bondedto (attr store1 < 11.5652773688  and attr store1 > 10.7652773688 ))) 
6 0.1 0.1 peak 2194 volume 81.59588 ppm1 4.303 ppm2 1.976
 
! ############### C13_CNnoesy_manual.2195 folded +
assi (attr store1 < 1.88 and attr store1 > 1.78 )
     ((attr store1 < 4.333 and attr store1 > 4.273 ) and 
      (bondedto (attr store1 < 107.031722631  and attr store1 > 106.231722631 ) or 
       bondedto (attr store1 < 59.289  and attr store1 > 58.489 ) or 
       bondedto (attr store1 < 11.5462773688  and attr store1 > 10.7462773688 ))) 
6 0.1 0.1 peak 2195 volume 45.47598 ppm1 4.303 ppm2 1.830
 
! ############### C13_CNnoesy_manual.2196 folded +
assi (attr store1 < 7.544 and attr store1 > 7.444 )
     ((attr store1 < 4.53 and attr store1 > 4.47 ) and 
      (bondedto (attr store1 < 107.013722631  and attr store1 > 106.213722631 ) or 
       bondedto (attr store1 < 59.271  and attr store1 > 58.471 ) or 
       bondedto (attr store1 < 11.5282773688  and attr store1 > 10.7282773688 ))) 
6 0.1 0.1 peak 2196 volume 28.41116 ppm1 4.500 ppm2 7.494
 
! ############### C13_CNnoesy_manual.2197 folded +
assi (attr store1 < 7.272 and attr store1 > 7.172 )
     ((attr store1 < 4.53 and attr store1 > 4.47 ) and 
      (bondedto (attr store1 < 106.978722631  and attr store1 > 106.178722631 ) or 
       bondedto (attr store1 < 59.236  and attr store1 > 58.436 ) or 
       bondedto (attr store1 < 11.4932773688  and attr store1 > 10.6932773688 ))) 
6 0.1 0.1 peak 2197 volume 14.13476 ppm1 4.500 ppm2 7.222
 
! ############### C13_CNnoesy_manual.2198 folded +
assi (attr store1 < 4.206 and attr store1 > 4.106 )
     ((attr store1 < 4.53 and attr store1 > 4.47 ) and 
      (bondedto (attr store1 < 107.002722631  and attr store1 > 106.202722631 ) or 
       bondedto (attr store1 < 59.26  and attr store1 > 58.46 ) or 
       bondedto (attr store1 < 11.5172773688  and attr store1 > 10.7172773688 ))) 
6 0.1 0.1 peak 2198 volume 95.18347 ppm1 4.500 ppm2 4.156
 
! ############### C13_CNnoesy_manual.2199 folded +
assi (attr store1 < 4.177 and attr store1 > 4.077 )
     ((attr store1 < 4.158 and attr store1 > 4.098 ) and 
      (bondedto (attr store1 < 106.988722631  and attr store1 > 106.188722631 ) or 
       bondedto (attr store1 < 59.246  and attr store1 > 58.446 ) or 
       bondedto (attr store1 < 11.5032773688  and attr store1 > 10.7032773688 ))) 
6 0.1 0.1 peak 2199 volume 745.87994 ppm1 4.128 ppm2 4.127
 
! ############### C13_CNnoesy_manual.2200 folded +
assi (attr store1 < 1.782 and attr store1 > 1.682 )
     ((attr store1 < 4.16 and attr store1 > 4.1 ) and 
      (bondedto (attr store1 < 106.973722631  and attr store1 > 106.173722631 ) or 
       bondedto (attr store1 < 59.231  and attr store1 > 58.431 ) or 
       bondedto (attr store1 < 11.4882773688  and attr store1 > 10.6882773688 ))) 
6 0.1 0.1 peak 2200 volume 27.35676 ppm1 4.130 ppm2 1.732
 
! ############### C13_CNnoesy_manual.2201 folded +
assi (attr store1 < 1.658 and attr store1 > 1.558 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 106.996722631  and attr store1 > 106.196722631 ) or 
       bondedto (attr store1 < 59.254  and attr store1 > 58.454 ) or 
       bondedto (attr store1 < 11.5112773688  and attr store1 > 10.7112773688 ))) 
6 0.1 0.1 peak 2201 volume 26.74866 ppm1 4.132 ppm2 1.608
 
! ############### C13_CNnoesy_manual.2202 folded +
assi (attr store1 < 1.601 and attr store1 > 1.501 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 106.997722631  and attr store1 > 106.197722631 ) or 
       bondedto (attr store1 < 59.255  and attr store1 > 58.455 ) or 
       bondedto (attr store1 < 11.5122773688  and attr store1 > 10.7122773688 ))) 
6 0.1 0.1 peak 2202 volume 35.90625 ppm1 4.132 ppm2 1.551
 
! ############### C13_CNnoesy_manual.2203 folded +
assi (attr store1 < 7.858 and attr store1 > 7.758 )
     ((attr store1 < 4.157 and attr store1 > 4.097 ) and 
      (bondedto (attr store1 < 107.001722631  and attr store1 > 106.201722631 ) or 
       bondedto (attr store1 < 59.259  and attr store1 > 58.459 ) or 
       bondedto (attr store1 < 11.5162773688  and attr store1 > 10.7162773688 ))) 
6 0.1 0.1 peak 2203 volume 36.11855 ppm1 4.127 ppm2 7.808
 
! ############### C13_CNnoesy_manual.2204 folded +
assi (attr store1 < 2.027 and attr store1 > 1.927 )
     ((attr store1 < 4.153 and attr store1 > 4.093 ) and 
      (bondedto (attr store1 < 106.984722631  and attr store1 > 106.184722631 ) or 
       bondedto (attr store1 < 59.242  and attr store1 > 58.442 ) or 
       bondedto (attr store1 < 11.4992773688  and attr store1 > 10.6992773688 ))) 
6 0.1 0.1 peak 2204 volume 95.71686 ppm1 4.123 ppm2 1.977
 
! ############### C13_CNnoesy_manual.2205 folded -
assi (attr store1 < 0.928 and attr store1 > 0.828 )
     ((attr store1 < 7.41 and attr store1 > 7.35 ) and 
      (bondedto (attr store1 < 130.824083947  and attr store1 > 130.024083947 ) or 
       bondedto (attr store1 < 35.3386386844  and attr store1 > 34.5386386844 ))) 
6 0.1 0.1 peak 2205 volume 6.28996 ppm1 7.380 ppm2 0.878
 
! ############### C13_CNnoesy_manual.2206 folded -
assi (attr store1 < 7.086 and attr store1 > 6.986 )
     ((attr store1 < 7.066 and attr store1 > 7.006 ) and 
      (bondedto (attr store1 < 130.876083947  and attr store1 > 130.076083947 ) or 
       bondedto (attr store1 < 35.3906386844  and attr store1 > 34.5906386844 ))) 
6 0.1 0.1 peak 2206 volume 14.97357 ppm1 7.036 ppm2 7.036
 
! ############### C13_CNnoesy_manual.2207 folded -
assi (attr store1 < 7.024 and attr store1 > 6.924 )
     ((attr store1 < 7.005 and attr store1 > 6.945 ) and 
      (bondedto (attr store1 < 130.883083947  and attr store1 > 130.083083947 ) or 
       bondedto (attr store1 < 35.3976386844  and attr store1 > 34.5976386844 ))) 
6 0.1 0.1 peak 2207 volume 9.80727 ppm1 6.975 ppm2 6.974
 
! ############### C13_CNnoesy_manual.2208 folded +
assi (attr store1 < 4.918 and attr store1 > 4.818 )
     ((attr store1 < 4.732 and attr store1 > 4.672 ) and 
      (bondedto (attr store1 < 106.736722631  and attr store1 > 105.936722631 ) or 
       bondedto (attr store1 < 58.994  and attr store1 > 58.194 ) or 
       bondedto (attr store1 < 11.2512773688  and attr store1 > 10.4512773688 ))) 
6 0.1 0.1 peak 2208 volume 22.02353 ppm1 4.702 ppm2 4.868
 
! ############### C13_CNnoesy_manual.2209 folded +
assi (attr store1 < 7.062 and attr store1 > 6.962 )
     ((attr store1 < 4.592 and attr store1 > 4.532 ) and 
      (bondedto (attr store1 < 106.746722631  and attr store1 > 105.946722631 ) or 
       bondedto (attr store1 < 59.004  and attr store1 > 58.204 ) or 
       bondedto (attr store1 < 11.2612773688  and attr store1 > 10.4612773688 ))) 
6 0.1 0.1 peak 2209 volume 7.14374 ppm1 4.562 ppm2 7.012
 
! ############### C13_CNnoesy_manual.2210 folded +
assi (attr store1 < 7.645 and attr store1 > 7.545 )
     ((attr store1 < 4.737 and attr store1 > 4.677 ) and 
      (bondedto (attr store1 < 106.723722631  and attr store1 > 105.923722631 ) or 
       bondedto (attr store1 < 58.981  and attr store1 > 58.181 ) or 
       bondedto (attr store1 < 11.2382773688  and attr store1 > 10.4382773688 ))) 
6 0.1 0.1 peak 2210 volume 14.66654 ppm1 4.707 ppm2 7.595
 
! ############### C13_CNnoesy_manual.2211 folded +
assi (attr store1 < 7.46 and attr store1 > 7.36 )
     ((attr store1 < 4.733 and attr store1 > 4.673 ) and 
      (bondedto (attr store1 < 106.686722631  and attr store1 > 105.886722631 ) or 
       bondedto (attr store1 < 58.944  and attr store1 > 58.144 ) or 
       bondedto (attr store1 < 11.2012773688  and attr store1 > 10.4012773688 ))) 
6 0.1 0.1 peak 2211 volume 26.69161 ppm1 4.703 ppm2 7.410
 
! ############### C13_CNnoesy_manual.2212 folded +
assi (attr store1 < 5.008 and attr store1 > 4.908 )
     ((attr store1 < 4.732 and attr store1 > 4.672 ) and 
      (bondedto (attr store1 < 106.684722631  and attr store1 > 105.884722631 ) or 
       bondedto (attr store1 < 58.942  and attr store1 > 58.142 ) or 
       bondedto (attr store1 < 11.1992773688  and attr store1 > 10.3992773688 ))) 
6 0.1 0.1 peak 2212 volume 13.95358 ppm1 4.702 ppm2 4.958
 
! ############### C13_CNnoesy_manual.2213 folded +
assi (attr store1 < 4.752 and attr store1 > 4.652 )
     ((attr store1 < 4.734 and attr store1 > 4.674 ) and 
      (bondedto (attr store1 < 106.683722631  and attr store1 > 105.883722631 ) or 
       bondedto (attr store1 < 58.941  and attr store1 > 58.141 ) or 
       bondedto (attr store1 < 11.1982773688  and attr store1 > 10.3982773688 ))) 
6 0.1 0.1 peak 2213 volume 695.08563 ppm1 4.704 ppm2 4.702
 
! ############### C13_CNnoesy_manual.2214 folded +
assi (attr store1 < 4.183 and attr store1 > 4.083 )
     ((attr store1 < 4.734 and attr store1 > 4.674 ) and 
      (bondedto (attr store1 < 106.674722631  and attr store1 > 105.874722631 ) or 
       bondedto (attr store1 < 58.932  and attr store1 > 58.132 ) or 
       bondedto (attr store1 < 11.1892773688  and attr store1 > 10.3892773688 ))) 
6 0.1 0.1 peak 2214 volume 87.76597 ppm1 4.704 ppm2 4.133
 
! ############### C13_CNnoesy_manual.2215 folded +
assi (attr store1 < 2.305 and attr store1 > 2.205 )
     ((attr store1 < 4.589 and attr store1 > 4.529 ) and 
      (bondedto (attr store1 < 106.703722631  and attr store1 > 105.903722631 ) or 
       bondedto (attr store1 < 58.961  and attr store1 > 58.161 ) or 
       bondedto (attr store1 < 11.2182773688  and attr store1 > 10.4182773688 ))) 
6 0.1 0.1 peak 2215 volume 10.44048 ppm1 4.559 ppm2 2.255
 
! ############### C13_CNnoesy_manual.2216 folded +
assi (attr store1 < 4.602 and attr store1 > 4.502 )
     ((attr store1 < 4.582 and attr store1 > 4.522 ) and 
      (bondedto (attr store1 < 106.705722631  and attr store1 > 105.905722631 ) or 
       bondedto (attr store1 < 58.963  and attr store1 > 58.163 ) or 
       bondedto (attr store1 < 11.2202773688  and attr store1 > 10.4202773688 ))) 
6 0.1 0.1 peak 2216 volume 6711.40137 ppm1 4.552 ppm2 4.552
 
! ############### C13_CNnoesy_manual.2217 folded +
assi (attr store1 < 4.056 and attr store1 > 3.956 )
     ((attr store1 < 4.583 and attr store1 > 4.523 ) and 
      (bondedto (attr store1 < 106.682722631  and attr store1 > 105.882722631 ) or 
       bondedto (attr store1 < 58.94  and attr store1 > 58.14 ) or 
       bondedto (attr store1 < 11.1972773688  and attr store1 > 10.3972773688 ))) 
6 0.1 0.1 peak 2217 volume 53.51677 ppm1 4.553 ppm2 4.006
 
! ############### C13_CNnoesy_manual.2218 folded +
assi (attr store1 < 3.249 and attr store1 > 3.149 )
     ((attr store1 < 4.585 and attr store1 > 4.525 ) and 
      (bondedto (attr store1 < 106.689722631  and attr store1 > 105.889722631 ) or 
       bondedto (attr store1 < 58.947  and attr store1 > 58.147 ) or 
       bondedto (attr store1 < 11.2042773688  and attr store1 > 10.4042773688 ))) 
6 0.1 0.1 peak 2218 volume 148.06000 ppm1 4.555 ppm2 3.199
 
! ############### C13_CNnoesy_manual.2219 folded +
assi (attr store1 < 2.516 and attr store1 > 2.416 )
     ((attr store1 < 4.583 and attr store1 > 4.523 ) and 
      (bondedto (attr store1 < 106.685722631  and attr store1 > 105.885722631 ) or 
       bondedto (attr store1 < 58.943  and attr store1 > 58.143 ) or 
       bondedto (attr store1 < 11.2002773688  and attr store1 > 10.4002773688 ))) 
6 0.1 0.1 peak 2219 volume 24.19034 ppm1 4.553 ppm2 2.466
 
! ############### C13_CNnoesy_manual.2220 folded +
assi (attr store1 < 9.134 and attr store1 > 9.034 )
     ((attr store1 < 4.58 and attr store1 > 4.52 ) and 
      (bondedto (attr store1 < 106.579722631  and attr store1 > 105.779722631 ) or 
       bondedto (attr store1 < 58.837  and attr store1 > 58.037 ) or 
       bondedto (attr store1 < 11.0942773688  and attr store1 > 10.2942773688 ))) 
6 0.1 0.1 peak 2220 volume 11.28598 ppm1 4.550 ppm2 9.084
 
! ############### C13_CNnoesy_manual.2221 folded +
assi (attr store1 < 7.36 and attr store1 > 7.26 )
     ((attr store1 < 4.585 and attr store1 > 4.525 ) and 
      (bondedto (attr store1 < 106.612722631  and attr store1 > 105.812722631 ) or 
       bondedto (attr store1 < 58.87  and attr store1 > 58.07 ) or 
       bondedto (attr store1 < 11.1272773688  and attr store1 > 10.3272773688 ))) 
6 0.1 0.1 peak 2221 volume 13.17544 ppm1 4.555 ppm2 7.310
 
! ############### C13_CNnoesy_manual.2222 folded +
assi (attr store1 < 8.723 and attr store1 > 8.623 )
     ((attr store1 < 4.577 and attr store1 > 4.517 ) and 
      (bondedto (attr store1 < 106.541722631  and attr store1 > 105.741722631 ) or 
       bondedto (attr store1 < 58.799  and attr store1 > 57.999 ) or 
       bondedto (attr store1 < 11.0562773688  and attr store1 > 10.2562773688 ))) 
6 0.1 0.1 peak 2222 volume 18.32472 ppm1 4.547 ppm2 8.673
 
! ############### C13_CNnoesy_manual.2223 folded +
assi (attr store1 < 1.934 and attr store1 > 1.834 )
     ((attr store1 < 4.577 and attr store1 > 4.517 ) and 
      (bondedto (attr store1 < 106.503722631  and attr store1 > 105.703722631 ) or 
       bondedto (attr store1 < 58.761  and attr store1 > 57.961 ) or 
       bondedto (attr store1 < 11.0182773688  and attr store1 > 10.2182773688 ))) 
6 0.1 0.1 peak 2223 volume 28.29397 ppm1 4.547 ppm2 1.884
 
! ############### C13_CNnoesy_manual.2224 folded +
assi (attr store1 < 9.258 and attr store1 > 9.158 )
     ((attr store1 < 4.574 and attr store1 > 4.514 ) and 
      (bondedto (attr store1 < 106.466722631  and attr store1 > 105.666722631 ) or 
       bondedto (attr store1 < 58.724  and attr store1 > 57.924 ) or 
       bondedto (attr store1 < 10.9812773688  and attr store1 > 10.1812773688 ))) 
6 0.1 0.1 peak 2224 volume 15.72373 ppm1 4.544 ppm2 9.208
 
! ############### C13_CNnoesy_manual.2225 folded +
assi (attr store1 < 1.752 and attr store1 > 1.652 )
     ((attr store1 < 4.575 and attr store1 > 4.515 ) and 
      (bondedto (attr store1 < 106.457722631  and attr store1 > 105.657722631 ) or 
       bondedto (attr store1 < 58.715  and attr store1 > 57.915 ) or 
       bondedto (attr store1 < 10.9722773688  and attr store1 > 10.1722773688 ))) 
6 0.1 0.1 peak 2225 volume 65.77148 ppm1 4.545 ppm2 1.702
 
! ############### C13_CNnoesy_manual.2226 folded +
assi (attr store1 < 7.33 and attr store1 > 7.23 )
     ((attr store1 < 4.342 and attr store1 > 4.282 ) and 
      (bondedto (attr store1 < 106.487722631  and attr store1 > 105.687722631 ) or 
       bondedto (attr store1 < 58.745  and attr store1 > 57.945 ) or 
       bondedto (attr store1 < 11.0022773688  and attr store1 > 10.2022773688 ))) 
6 0.1 0.1 peak 2226 volume 5.69746 ppm1 4.312 ppm2 7.280
 
! ############### C13_CNnoesy_manual.2227 folded +
assi (attr store1 < 2.032 and attr store1 > 1.932 )
     ((attr store1 < 4.339 and attr store1 > 4.279 ) and 
      (bondedto (attr store1 < 106.491722631  and attr store1 > 105.691722631 ) or 
       bondedto (attr store1 < 58.749  and attr store1 > 57.949 ) or 
       bondedto (attr store1 < 11.0062773688  and attr store1 > 10.2062773688 ))) 
6 0.1 0.1 peak 2227 volume 70.46561 ppm1 4.309 ppm2 1.982
 
! ############### C13_CNnoesy_manual.2228 folded +
assi (attr store1 < 1.099 and attr store1 > 0.999 )
     ((attr store1 < 4.577 and attr store1 > 4.517 ) and 
      (bondedto (attr store1 < 106.448722631  and attr store1 > 105.648722631 ) or 
       bondedto (attr store1 < 58.706  and attr store1 > 57.906 ) or 
       bondedto (attr store1 < 10.9632773688  and attr store1 > 10.1632773688 ))) 
6 0.1 0.1 peak 2228 volume 79.60695 ppm1 4.547 ppm2 1.049
 
! ############### C13_CNnoesy_manual.2229 folded +
assi (attr store1 < 8.012 and attr store1 > 7.912 )
     ((attr store1 < 4.572 and attr store1 > 4.512 ) and 
      (bondedto (attr store1 < 106.411722631  and attr store1 > 105.611722631 ) or 
       bondedto (attr store1 < 58.669  and attr store1 > 57.869 ) or 
       bondedto (attr store1 < 10.9262773688  and attr store1 > 10.1262773688 ))) 
6 0.1 0.1 peak 2229 volume 15.82842 ppm1 4.542 ppm2 7.962
 
! ############### C13_CNnoesy_manual.2230 folded +
assi (attr store1 < 7.684 and attr store1 > 7.584 )
     ((attr store1 < 4.57 and attr store1 > 4.51 ) and 
      (bondedto (attr store1 < 106.419722631  and attr store1 > 105.619722631 ) or 
       bondedto (attr store1 < 58.677  and attr store1 > 57.877 ) or 
       bondedto (attr store1 < 10.9342773688  and attr store1 > 10.1342773688 ))) 
6 0.1 0.1 peak 2230 volume 22.33047 ppm1 4.540 ppm2 7.634
 
! ############### C13_CNnoesy_manual.2231 folded +
assi (attr store1 < 6.562 and attr store1 > 6.462 )
     ((attr store1 < 4.574 and attr store1 > 4.514 ) and 
      (bondedto (attr store1 < 106.428722631  and attr store1 > 105.628722631 ) or 
       bondedto (attr store1 < 58.686  and attr store1 > 57.886 ) or 
       bondedto (attr store1 < 10.9432773688  and attr store1 > 10.1432773688 ))) 
6 0.1 0.1 peak 2231 volume 26.69692 ppm1 4.544 ppm2 6.512
 
! ############### C13_CNnoesy_manual.2232 folded +
assi (attr store1 < 1.459 and attr store1 > 1.359 )
     ((attr store1 < 4.575 and attr store1 > 4.515 ) and 
      (bondedto (attr store1 < 106.378722631  and attr store1 > 105.578722631 ) or 
       bondedto (attr store1 < 58.636  and attr store1 > 57.836 ) or 
       bondedto (attr store1 < 10.8932773688  and attr store1 > 10.0932773688 ))) 
6 0.1 0.1 peak 2232 volume 13.48414 ppm1 4.545 ppm2 1.409
 
! ############### C13_CNnoesy_manual.2233 folded +
assi (attr store1 < 9.446 and attr store1 > 9.346 )
     ((attr store1 < 4.538 and attr store1 > 4.478 ) and 
      (bondedto (attr store1 < 106.372722631  and attr store1 > 105.572722631 ) or 
       bondedto (attr store1 < 58.63  and attr store1 > 57.83 ) or 
       bondedto (attr store1 < 10.8872773688  and attr store1 > 10.0872773688 ))) 
6 0.1 0.1 peak 2233 volume 8.31563 ppm1 4.508 ppm2 9.396
 
! ############### C13_CNnoesy_manual.2234 folded +
assi (attr store1 < 7.06 and attr store1 > 6.96 )
     ((attr store1 < 4.343 and attr store1 > 4.283 ) and 
      (bondedto (attr store1 < 106.439722631  and attr store1 > 105.639722631 ) or 
       bondedto (attr store1 < 58.697  and attr store1 > 57.897 ) or 
       bondedto (attr store1 < 10.9542773688  and attr store1 > 10.1542773688 ))) 
6 0.1 0.1 peak 2234 volume 31.30944 ppm1 4.313 ppm2 7.010
 
! ############### C13_CNnoesy_manual.2235 folded +
assi (attr store1 < 1.843 and attr store1 > 1.743 )
     ((attr store1 < 4.344 and attr store1 > 4.284 ) and 
      (bondedto (attr store1 < 106.440722631  and attr store1 > 105.640722631 ) or 
       bondedto (attr store1 < 58.698  and attr store1 > 57.898 ) or 
       bondedto (attr store1 < 10.9552773688  and attr store1 > 10.1552773688 ))) 
6 0.1 0.1 peak 2235 volume 57.48997 ppm1 4.314 ppm2 1.793
 
! ############### C13_CNnoesy_manual.2236 folded +
assi (attr store1 < 1.715 and attr store1 > 1.615 )
     ((attr store1 < 4.341 and attr store1 > 4.281 ) and 
      (bondedto (attr store1 < 106.426722631  and attr store1 > 105.626722631 ) or 
       bondedto (attr store1 < 58.684  and attr store1 > 57.884 ) or 
       bondedto (attr store1 < 10.9412773688  and attr store1 > 10.1412773688 ))) 
6 0.1 0.1 peak 2236 volume 54.72158 ppm1 4.311 ppm2 1.665
 
! ############### C13_CNnoesy_manual.2237 folded +
assi (attr store1 < 1.294 and attr store1 > 1.194 )
     ((attr store1 < 4.343 and attr store1 > 4.283 ) and 
      (bondedto (attr store1 < 106.429722631  and attr store1 > 105.629722631 ) or 
       bondedto (attr store1 < 58.687  and attr store1 > 57.887 ) or 
       bondedto (attr store1 < 10.9442773688  and attr store1 > 10.1442773688 ))) 
6 0.1 0.1 peak 2237 volume 37.19249 ppm1 4.313 ppm2 1.244
 
! ############### C13_CNnoesy_manual.2238 folded +
assi (attr store1 < 0.957 and attr store1 > 0.857 )
     ((attr store1 < 4.336 and attr store1 > 4.276 ) and 
      (bondedto (attr store1 < 106.382722631  and attr store1 > 105.582722631 ) or 
       bondedto (attr store1 < 58.64  and attr store1 > 57.84 ) or 
       bondedto (attr store1 < 10.8972773688  and attr store1 > 10.0972773688 ))) 
6 0.1 0.1 peak 2238 volume 16.47492 ppm1 4.306 ppm2 0.907
 
! ############### C13_CNnoesy_manual.2239 folded +
assi (attr store1 < 2.705 and attr store1 > 2.605 )
     ((attr store1 < 4.537 and attr store1 > 4.477 ) and 
      (bondedto (attr store1 < 106.282722631  and attr store1 > 105.482722631 ) or 
       bondedto (attr store1 < 58.54  and attr store1 > 57.74 ) or 
       bondedto (attr store1 < 10.7972773688  and attr store1 > 9.9972773688 ))) 
6 0.1 0.1 peak 2239 volume 28.49391 ppm1 4.507 ppm2 2.655
 
! ############### C13_CNnoesy_manual.2240 folded +
assi (attr store1 < 0.914 and attr store1 > 0.814 )
     ((attr store1 < 4.537 and attr store1 > 4.477 ) and 
      (bondedto (attr store1 < 106.270722631  and attr store1 > 105.470722631 ) or 
       bondedto (attr store1 < 58.528  and attr store1 > 57.728 ) or 
       bondedto (attr store1 < 10.7852773688  and attr store1 > 9.9852773688 ))) 
6 0.1 0.1 peak 2240 volume 13.86884 ppm1 4.507 ppm2 0.864
 
! ############### C13_CNnoesy_manual.2241 folded +
assi (attr store1 < 8.226 and attr store1 > 8.126 )
     ((attr store1 < 4.335 and attr store1 > 4.275 ) and 
      (bondedto (attr store1 < 106.331722631  and attr store1 > 105.531722631 ) or 
       bondedto (attr store1 < 58.589  and attr store1 > 57.789 ) or 
       bondedto (attr store1 < 10.8462773688  and attr store1 > 10.0462773688 ))) 
6 0.1 0.1 peak 2241 volume 14.12443 ppm1 4.305 ppm2 8.176
 
! ############### C13_CNnoesy_manual.2242 folded +
assi (attr store1 < 8.692 and attr store1 > 8.592 )
     ((attr store1 < 4.319 and attr store1 > 4.259 ) and 
      (bondedto (attr store1 < 106.327722631  and attr store1 > 105.527722631 ) or 
       bondedto (attr store1 < 58.585  and attr store1 > 57.785 ) or 
       bondedto (attr store1 < 10.8422773688  and attr store1 > 10.0422773688 ))) 
6 0.1 0.1 peak 2242 volume 43.43653 ppm1 4.289 ppm2 8.642
 
! ############### C13_CNnoesy_manual.2243 folded +
assi (attr store1 < 8.121 and attr store1 > 8.021 )
     ((attr store1 < 4.321 and attr store1 > 4.261 ) and 
      (bondedto (attr store1 < 106.338722631  and attr store1 > 105.538722631 ) or 
       bondedto (attr store1 < 58.596  and attr store1 > 57.796 ) or 
       bondedto (attr store1 < 10.8532773688  and attr store1 > 10.0532773688 ))) 
6 0.1 0.1 peak 2243 volume 11.31340 ppm1 4.291 ppm2 8.071
 
! ############### C13_CNnoesy_manual.2244 folded +
assi (attr store1 < 4.341 and attr store1 > 4.241 )
     ((attr store1 < 4.324 and attr store1 > 4.264 ) and 
      (bondedto (attr store1 < 106.335722631  and attr store1 > 105.535722631 ) or 
       bondedto (attr store1 < 58.593  and attr store1 > 57.793 ) or 
       bondedto (attr store1 < 10.8502773688  and attr store1 > 10.0502773688 ))) 
6 0.1 0.1 peak 2244 volume 1156.09082 ppm1 4.294 ppm2 4.291
 
! ############### C13_CNnoesy_manual.2245 folded +
assi (attr store1 < 2.654 and attr store1 > 2.554 )
     ((attr store1 < 4.321 and attr store1 > 4.261 ) and 
      (bondedto (attr store1 < 106.326722631  and attr store1 > 105.526722631 ) or 
       bondedto (attr store1 < 58.584  and attr store1 > 57.784 ) or 
       bondedto (attr store1 < 10.8412773688  and attr store1 > 10.0412773688 ))) 
6 0.1 0.1 peak 2245 volume 31.78437 ppm1 4.291 ppm2 2.604
 
! ############### C13_CNnoesy_manual.2246 folded +
assi (attr store1 < 2.385 and attr store1 > 2.285 )
     ((attr store1 < 4.323 and attr store1 > 4.263 ) and 
      (bondedto (attr store1 < 106.343722631  and attr store1 > 105.543722631 ) or 
       bondedto (attr store1 < 58.601  and attr store1 > 57.801 ) or 
       bondedto (attr store1 < 10.8582773688  and attr store1 > 10.0582773688 ))) 
6 0.1 0.1 peak 2246 volume 67.03459 ppm1 4.293 ppm2 2.335
 
! ############### C13_CNnoesy_manual.2247 folded +
assi (attr store1 < 2.255 and attr store1 > 2.155 )
     ((attr store1 < 4.32 and attr store1 > 4.26 ) and 
      (bondedto (attr store1 < 106.326722631  and attr store1 > 105.526722631 ) or 
       bondedto (attr store1 < 58.584  and attr store1 > 57.784 ) or 
       bondedto (attr store1 < 10.8412773688  and attr store1 > 10.0412773688 ))) 
6 0.1 0.1 peak 2247 volume 126.38822 ppm1 4.290 ppm2 2.205
 
! ############### C13_CNnoesy_manual.2248 folded +
assi (attr store1 < 8.524 and attr store1 > 8.424 )
     ((attr store1 < 4.232 and attr store1 > 4.172 ) and 
      (bondedto (attr store1 < 106.300722631  and attr store1 > 105.500722631 ) or 
       bondedto (attr store1 < 58.558  and attr store1 > 57.758 ) or 
       bondedto (attr store1 < 10.8152773688  and attr store1 > 10.0152773688 ))) 
6 0.1 0.1 peak 2248 volume 41.00950 ppm1 4.202 ppm2 8.474
 
! ############### C13_CNnoesy_manual.2249 folded +
assi (attr store1 < 7.076 and attr store1 > 6.976 )
     ((attr store1 < 4.227 and attr store1 > 4.167 ) and 
      (bondedto (attr store1 < 106.273722631  and attr store1 > 105.473722631 ) or 
       bondedto (attr store1 < 58.531  and attr store1 > 57.731 ) or 
       bondedto (attr store1 < 10.7882773688  and attr store1 > 9.9882773688 ))) 
6 0.1 0.1 peak 2249 volume 8.76200 ppm1 4.197 ppm2 7.026
 
! ############### C13_CNnoesy_manual.2250 folded +
assi (attr store1 < 3.872 and attr store1 > 3.772 )
     ((attr store1 < 4.23 and attr store1 > 4.17 ) and 
      (bondedto (attr store1 < 106.287722631  and attr store1 > 105.487722631 ) or 
       bondedto (attr store1 < 58.545  and attr store1 > 57.745 ) or 
       bondedto (attr store1 < 10.8022773688  and attr store1 > 10.0022773688 ))) 
6 0.1 0.1 peak 2250 volume 7.41048 ppm1 4.200 ppm2 3.822
 
! ############### C13_CNnoesy_manual.2251 folded +
assi (attr store1 < 2.215 and attr store1 > 2.115 )
     ((attr store1 < 4.233 and attr store1 > 4.173 ) and 
      (bondedto (attr store1 < 106.277722631  and attr store1 > 105.477722631 ) or 
       bondedto (attr store1 < 58.535  and attr store1 > 57.735 ) or 
       bondedto (attr store1 < 10.7922773688  and attr store1 > 9.9922773688 ))) 
6 0.1 0.1 peak 2251 volume 18.30304 ppm1 4.203 ppm2 2.165
 
! ############### C13_CNnoesy_manual.2252 folded -
assi (attr store1 < 6.892 and attr store1 > 6.792 )
     ((attr store1 < 2.637 and attr store1 > 2.577 ) and 
      (bondedto (attr store1 < 130.159083947  and attr store1 > 129.359083947 ) or 
       bondedto (attr store1 < 34.6736386844  and attr store1 > 33.8736386844 ))) 
6 0.1 0.1 peak 2252 volume 8.17336 ppm1 2.607 ppm2 6.842
 
! ############### C13_CNnoesy_manual.2253 folded -
assi (attr store1 < 4.44 and attr store1 > 4.34 )
     ((attr store1 < 2.639 and attr store1 > 2.579 ) and 
      (bondedto (attr store1 < 130.141083947  and attr store1 > 129.341083947 ) or 
       bondedto (attr store1 < 34.6556386844  and attr store1 > 33.8556386844 ))) 
6 0.1 0.1 peak 2253 volume 49.49862 ppm1 2.609 ppm2 4.390
 
! ############### C13_CNnoesy_manual.2254 folded +
assi (attr store1 < 7.257 and attr store1 > 7.157 )
     ((attr store1 < 4.564 and attr store1 > 4.504 ) and 
      (bondedto (attr store1 < 106.177722631  and attr store1 > 105.377722631 ) or 
       bondedto (attr store1 < 58.435  and attr store1 > 57.635 ) or 
       bondedto (attr store1 < 10.6922773688  and attr store1 > 9.8922773688 ))) 
6 0.1 0.1 peak 2254 volume 23.78109 ppm1 4.534 ppm2 7.207
 
! ############### C13_CNnoesy_manual.2255 folded +
assi (attr store1 < 6.811 and attr store1 > 6.711 )
     ((attr store1 < 4.567 and attr store1 > 4.507 ) and 
      (bondedto (attr store1 < 106.178722631  and attr store1 > 105.378722631 ) or 
       bondedto (attr store1 < 58.436  and attr store1 > 57.636 ) or 
       bondedto (attr store1 < 10.6932773688  and attr store1 > 9.8932773688 ))) 
6 0.1 0.1 peak 2255 volume 12.32609 ppm1 4.537 ppm2 6.761
 
! ############### C13_CNnoesy_manual.2256 folded +
assi (attr store1 < 3.069 and attr store1 > 2.969 )
     ((attr store1 < 4.559 and attr store1 > 4.499 ) and 
      (bondedto (attr store1 < 106.202722631  and attr store1 > 105.402722631 ) or 
       bondedto (attr store1 < 58.46  and attr store1 > 57.66 ) or 
       bondedto (attr store1 < 10.7172773688  and attr store1 > 9.9172773688 ))) 
6 0.1 0.1 peak 2256 volume 97.43632 ppm1 4.529 ppm2 3.019
 
! ############### C13_CNnoesy_manual.2257 folded +
assi (attr store1 < 2.316 and attr store1 > 2.216 )
     ((attr store1 < 4.542 and attr store1 > 4.482 ) and 
      (bondedto (attr store1 < 106.251722631  and attr store1 > 105.451722631 ) or 
       bondedto (attr store1 < 58.509  and attr store1 > 57.709 ) or 
       bondedto (attr store1 < 10.7662773688  and attr store1 > 9.9662773688 ))) 
6 0.1 0.1 peak 2257 volume 7.31332 ppm1 4.512 ppm2 2.266
 
! ############### C13_CNnoesy_manual.2258 folded +
assi (attr store1 < 8.506 and attr store1 > 8.406 )
     ((attr store1 < 4.332 and attr store1 > 4.272 ) and 
      (bondedto (attr store1 < 106.247722631  and attr store1 > 105.447722631 ) or 
       bondedto (attr store1 < 58.505  and attr store1 > 57.705 ) or 
       bondedto (attr store1 < 10.7622773688  and attr store1 > 9.9622773688 ))) 
6 0.1 0.1 peak 2258 volume 6.22217 ppm1 4.302 ppm2 8.456
 
! ############### C13_CNnoesy_manual.2259 folded +
assi (attr store1 < 8.702 and attr store1 > 8.602 )
     ((attr store1 < 4.233 and attr store1 > 4.173 ) and 
      (bondedto (attr store1 < 106.256722631  and attr store1 > 105.456722631 ) or 
       bondedto (attr store1 < 58.514  and attr store1 > 57.714 ) or 
       bondedto (attr store1 < 10.7712773688  and attr store1 > 9.9712773688 ))) 
6 0.1 0.1 peak 2259 volume 19.15238 ppm1 4.203 ppm2 8.652
 
! ############### C13_CNnoesy_manual.2260 folded +
assi (attr store1 < 8.233 and attr store1 > 8.133 )
     ((attr store1 < 4.224 and attr store1 > 4.164 ) and 
      (bondedto (attr store1 < 106.178722631  and attr store1 > 105.378722631 ) or 
       bondedto (attr store1 < 58.436  and attr store1 > 57.636 ) or 
       bondedto (attr store1 < 10.6932773688  and attr store1 > 9.8932773688 ))) 
6 0.1 0.1 peak 2260 volume 23.11963 ppm1 4.194 ppm2 8.183
 
! ############### C13_CNnoesy_manual.2261 folded +
assi (attr store1 < 2.052 and attr store1 > 1.952 )
     ((attr store1 < 4.229 and attr store1 > 4.169 ) and 
      (bondedto (attr store1 < 106.244722631  and attr store1 > 105.444722631 ) or 
       bondedto (attr store1 < 58.502  and attr store1 > 57.702 ) or 
       bondedto (attr store1 < 10.7592773688  and attr store1 > 9.9592773688 ))) 
6 0.1 0.1 peak 2261 volume 73.54795 ppm1 4.199 ppm2 2.002
 
! ############### C13_CNnoesy_manual.2262 folded +
assi (attr store1 < 1.892 and attr store1 > 1.792 )
     ((attr store1 < 4.229 and attr store1 > 4.169 ) and 
      (bondedto (attr store1 < 106.261722631  and attr store1 > 105.461722631 ) or 
       bondedto (attr store1 < 58.519  and attr store1 > 57.719 ) or 
       bondedto (attr store1 < 10.7762773688  and attr store1 > 9.9762773688 ))) 
6 0.1 0.1 peak 2262 volume 92.96591 ppm1 4.199 ppm2 1.842
 
! ############### C13_CNnoesy_manual.2263 folded +
assi (attr store1 < 1.083 and attr store1 > 0.983 )
     ((attr store1 < 4.23 and attr store1 > 4.17 ) and 
      (bondedto (attr store1 < 106.264722631  and attr store1 > 105.464722631 ) or 
       bondedto (attr store1 < 58.522  and attr store1 > 57.722 ) or 
       bondedto (attr store1 < 10.7792773688  and attr store1 > 9.9792773688 ))) 
6 0.1 0.1 peak 2263 volume 134.75537 ppm1 4.200 ppm2 1.033
 
! ############### C13_CNnoesy_manual.2264 folded -
assi (attr store1 < 7.912 and attr store1 > 7.812 )
     ((attr store1 < 4.243 and attr store1 > 4.183 ) and 
      (bondedto (attr store1 < 130.054083947  and attr store1 > 129.254083947 ) or 
       bondedto (attr store1 < 34.5686386844  and attr store1 > 33.7686386844 ))) 
6 0.1 0.1 peak 2264 volume 6.72439 ppm1 4.213 ppm2 7.862
 
! ############### C13_CNnoesy_manual.2265 folded -
assi (attr store1 < 7.853 and attr store1 > 7.753 )
     ((attr store1 < 2.637 and attr store1 > 2.577 ) and 
      (bondedto (attr store1 < 130.139083947  and attr store1 > 129.339083947 ) or 
       bondedto (attr store1 < 34.6536386844  and attr store1 > 33.8536386844 ))) 
6 0.1 0.1 peak 2265 volume 22.62845 ppm1 2.607 ppm2 7.803
 
! ############### C13_CNnoesy_manual.2266 folded -
assi (attr store1 < 7.523 and attr store1 > 7.423 )
     ((attr store1 < 2.634 and attr store1 > 2.574 ) and 
      (bondedto (attr store1 < 130.130083947  and attr store1 > 129.330083947 ) or 
       bondedto (attr store1 < 34.6446386844  and attr store1 > 33.8446386844 ))) 
6 0.1 0.1 peak 2266 volume 9.28663 ppm1 2.604 ppm2 7.473
 
! ############### C13_CNnoesy_manual.2267 folded -
assi (attr store1 < 2.303 and attr store1 > 2.203 )
     ((attr store1 < 2.637 and attr store1 > 2.577 ) and 
      (bondedto (attr store1 < 130.113083947  and attr store1 > 129.313083947 ) or 
       bondedto (attr store1 < 34.6276386844  and attr store1 > 33.8276386844 ))) 
6 0.1 0.1 peak 2267 volume 114.97511 ppm1 2.607 ppm2 2.253
 
! ############### C13_CNnoesy_manual.2268 folded -
assi (attr store1 < 1.421 and attr store1 > 1.321 )
     ((attr store1 < 2.637 and attr store1 > 2.577 ) and 
      (bondedto (attr store1 < 130.105083947  and attr store1 > 129.305083947 ) or 
       bondedto (attr store1 < 34.6196386844  and attr store1 > 33.8196386844 ))) 
6 0.1 0.1 peak 2268 volume 6.81065 ppm1 2.607 ppm2 1.371
 
! ############### C13_CNnoesy_manual.2269 folded -
assi (attr store1 < 1.111 and attr store1 > 1.011 )
     ((attr store1 < 2.64 and attr store1 > 2.58 ) and 
      (bondedto (attr store1 < 130.115083947  and attr store1 > 129.315083947 ) or 
       bondedto (attr store1 < 34.6296386844  and attr store1 > 33.8296386844 ))) 
6 0.1 0.1 peak 2269 volume 17.05428 ppm1 2.610 ppm2 1.061
 
! ############### C13_CNnoesy_manual.2270 folded -
assi (attr store1 < 7.046 and attr store1 > 6.946 )
     ((attr store1 < 2.627 and attr store1 > 2.567 ) and 
      (bondedto (attr store1 < 130.060083947  and attr store1 > 129.260083947 ) or 
       bondedto (attr store1 < 34.5746386844  and attr store1 > 33.7746386844 ))) 
6 0.1 0.1 peak 2270 volume 10.5464 ppm1 2.597 ppm2 6.996
 
! ############### C13_CNnoesy_manual.2271 folded -
assi (attr store1 < 4.89 and attr store1 > 4.79 )
     ((attr store1 < 2.629 and attr store1 > 2.569 ) and 
      (bondedto (attr store1 < 130.126083947  and attr store1 > 129.326083947 ) or 
       bondedto (attr store1 < 34.6406386844  and attr store1 > 33.8406386844 ))) 
6 0.1 0.1 peak 2271 volume 18.57345 ppm1 2.599 ppm2 4.840
 
! ############### C13_CNnoesy_manual.2272 folded -
assi (attr store1 < 2.642 and attr store1 > 2.542 )
     ((attr store1 < 2.633 and attr store1 > 2.573 ) and 
      (bondedto (attr store1 < 130.094083947  and attr store1 > 129.294083947 ) or 
       bondedto (attr store1 < 34.6086386844  and attr store1 > 33.8086386844 ))) 
6 0.1 0.1 peak 2272 volume 2744.52124 ppm1 2.603 ppm2 2.592
 
! ############### C13_CNnoesy_manual.2273 folded +
assi (attr store1 < 3.343 and attr store1 > 3.243 )
     ((attr store1 < 4.565 and attr store1 > 4.505 ) and 
      (bondedto (attr store1 < 106.168722631  and attr store1 > 105.368722631 ) or 
       bondedto (attr store1 < 58.426  and attr store1 > 57.626 ) or 
       bondedto (attr store1 < 10.6832773688  and attr store1 > 9.8832773688 ))) 
6 0.1 0.1 peak 2273 volume 78.98985 ppm1 4.535 ppm2 3.293
 
! ############### C13_CNnoesy_manual.2274 folded +
assi (attr store1 < 0.918 and attr store1 > 0.818 )
     ((attr store1 < 4.224 and attr store1 > 4.164 ) and 
      (bondedto (attr store1 < 106.172722631  and attr store1 > 105.372722631 ) or 
       bondedto (attr store1 < 58.43  and attr store1 > 57.63 ) or 
       bondedto (attr store1 < 10.6872773688  and attr store1 > 9.8872773688 ))) 
6 0.1 0.1 peak 2274 volume 108.15830 ppm1 4.194 ppm2 0.868
 
! ############### C13_CNnoesy_manual.2275 folded +
assi (attr store1 < 7.341 and attr store1 > 7.241 )
     ((attr store1 < 4.222 and attr store1 > 4.162 ) and 
      (bondedto (attr store1 < 106.153722631  and attr store1 > 105.353722631 ) or 
       bondedto (attr store1 < 58.411  and attr store1 > 57.611 ) or 
       bondedto (attr store1 < 10.6682773688  and attr store1 > 9.8682773688 ))) 
6 0.1 0.1 peak 2275 volume 15.86586 ppm1 4.192 ppm2 7.291
 
! ############### C13_CNnoesy_manual.2276 folded +
assi (attr store1 < 6.789 and attr store1 > 6.689 )
     ((attr store1 < 4.221 and attr store1 > 4.161 ) and 
      (bondedto (attr store1 < 106.143722631  and attr store1 > 105.343722631 ) or 
       bondedto (attr store1 < 58.401  and attr store1 > 57.601 ) or 
       bondedto (attr store1 < 10.6582773688  and attr store1 > 9.8582773688 ))) 
6 0.1 0.1 peak 2276 volume 5.85144 ppm1 4.191 ppm2 6.739
 
! ############### C13_CNnoesy_manual.2277 folded +
assi (attr store1 < 1.547 and attr store1 > 1.447 )
     ((attr store1 < 4.223 and attr store1 > 4.163 ) and 
      (bondedto (attr store1 < 106.147722631  and attr store1 > 105.347722631 ) or 
       bondedto (attr store1 < 58.405  and attr store1 > 57.605 ) or 
       bondedto (attr store1 < 10.6622773688  and attr store1 > 9.8622773688 ))) 
6 0.1 0.1 peak 2277 volume 37.97472 ppm1 4.193 ppm2 1.497
 
! ############### C13_CNnoesy_manual.2278 folded +
assi (attr store1 < 1.233 and attr store1 > 1.133 )
     ((attr store1 < 4.22 and attr store1 > 4.16 ) and 
      (bondedto (attr store1 < 106.147722631  and attr store1 > 105.347722631 ) or 
       bondedto (attr store1 < 58.405  and attr store1 > 57.605 ) or 
       bondedto (attr store1 < 10.6622773688  and attr store1 > 9.8622773688 ))) 
6 0.1 0.1 peak 2278 volume 16.76893 ppm1 4.190 ppm2 1.183
 
! ############### C13_CNnoesy_manual.2279 folded +
assi (attr store1 < 2.655 and attr store1 > 2.555 )
     ((attr store1 < 0.786 and attr store1 > 0.726 ) and 
      (bondedto (attr store1 < 106.133722631  and attr store1 > 105.333722631 ) or 
       bondedto (attr store1 < 58.391  and attr store1 > 57.591 ) or 
       bondedto (attr store1 < 10.6482773688  and attr store1 > 9.8482773688 ))) 
6 0.1 0.1 peak 2279 volume 6.52829 ppm1 0.756 ppm2 2.605
 
! ############### C13_CNnoesy_manual.2280 folded +
assi (attr store1 < 8.518 and attr store1 > 8.418 )
     ((attr store1 < 0.779 and attr store1 > 0.719 ) and 
      (bondedto (attr store1 < 106.110722631  and attr store1 > 105.310722631 ) or 
       bondedto (attr store1 < 58.368  and attr store1 > 57.568 ) or 
       bondedto (attr store1 < 10.6252773688  and attr store1 > 9.8252773688 ))) 
6 0.1 0.1 peak 2280 volume 6.76504 ppm1 0.749 ppm2 8.468
 
! ############### C13_CNnoesy_manual.2281 folded +
assi (attr store1 < 8.199 and attr store1 > 8.099 )
     ((attr store1 < 0.779 and attr store1 > 0.719 ) and 
      (bondedto (attr store1 < 106.110722631  and attr store1 > 105.310722631 ) or 
       bondedto (attr store1 < 58.368  and attr store1 > 57.568 ) or 
       bondedto (attr store1 < 10.6252773688  and attr store1 > 9.8252773688 ))) 
6 0.1 0.1 peak 2281 volume 7.48933 ppm1 0.749 ppm2 8.149
 
! ############### C13_CNnoesy_manual.2282 folded +
assi (attr store1 < 8.049 and attr store1 > 7.949 )
     ((attr store1 < 0.779 and attr store1 > 0.719 ) and 
      (bondedto (attr store1 < 106.111722631  and attr store1 > 105.311722631 ) or 
       bondedto (attr store1 < 58.369  and attr store1 > 57.569 ) or 
       bondedto (attr store1 < 10.6262773688  and attr store1 > 9.8262773688 ))) 
6 0.1 0.1 peak 2282 volume 21.40549 ppm1 0.749 ppm2 7.999
 
! ############### C13_CNnoesy_manual.2283 folded +
assi (attr store1 < 7.676 and attr store1 > 7.576 )
     ((attr store1 < 0.778 and attr store1 > 0.718 ) and 
      (bondedto (attr store1 < 106.110722631  and attr store1 > 105.310722631 ) or 
       bondedto (attr store1 < 58.368  and attr store1 > 57.568 ) or 
       bondedto (attr store1 < 10.6252773688  and attr store1 > 9.8252773688 ))) 
6 0.1 0.1 peak 2283 volume 7.13551 ppm1 0.748 ppm2 7.626
 
! ############### C13_CNnoesy_manual.2284 folded +
assi (attr store1 < 7.027 and attr store1 > 6.927 )
     ((attr store1 < 0.779 and attr store1 > 0.719 ) and 
      (bondedto (attr store1 < 106.101722631  and attr store1 > 105.301722631 ) or 
       bondedto (attr store1 < 58.359  and attr store1 > 57.559 ) or 
       bondedto (attr store1 < 10.6162773688  and attr store1 > 9.8162773688 ))) 
6 0.1 0.1 peak 2284 volume 9.62691 ppm1 0.749 ppm2 6.977
 
! ############### C13_CNnoesy_manual.2285 folded +
assi (attr store1 < 5.037 and attr store1 > 4.937 )
     ((attr store1 < 0.779 and attr store1 > 0.719 ) and 
      (bondedto (attr store1 < 106.119722631  and attr store1 > 105.319722631 ) or 
       bondedto (attr store1 < 58.377  and attr store1 > 57.577 ) or 
       bondedto (attr store1 < 10.6342773688  and attr store1 > 9.8342773688 ))) 
6 0.1 0.1 peak 2285 volume 17.82521 ppm1 0.749 ppm2 4.987
 
! ############### C13_CNnoesy_manual.2286 folded +
assi (attr store1 < 4.884 and attr store1 > 4.784 )
     ((attr store1 < 0.777 and attr store1 > 0.717 ) and 
      (bondedto (attr store1 < 106.129722631  and attr store1 > 105.329722631 ) or 
       bondedto (attr store1 < 58.387  and attr store1 > 57.587 ) or 
       bondedto (attr store1 < 10.6442773688  and attr store1 > 9.8442773688 ))) 
6 0.1 0.1 peak 2286 volume 16.91087 ppm1 0.747 ppm2 4.834
 
! ############### C13_CNnoesy_manual.2287 folded +
assi (attr store1 < 4.088 and attr store1 > 3.988 )
     ((attr store1 < 0.779 and attr store1 > 0.719 ) and 
      (bondedto (attr store1 < 106.117722631  and attr store1 > 105.317722631 ) or 
       bondedto (attr store1 < 58.375  and attr store1 > 57.575 ) or 
       bondedto (attr store1 < 10.6322773688  and attr store1 > 9.8322773688 ))) 
6 0.1 0.1 peak 2287 volume 127.71140 ppm1 0.749 ppm2 4.038
 
! ############### C13_CNnoesy_manual.2288 folded +
assi (attr store1 < 3.348 and attr store1 > 3.248 )
     ((attr store1 < 0.78 and attr store1 > 0.72 ) and 
      (bondedto (attr store1 < 106.130722631  and attr store1 > 105.330722631 ) or 
       bondedto (attr store1 < 58.388  and attr store1 > 57.588 ) or 
       bondedto (attr store1 < 10.6452773688  and attr store1 > 9.8452773688 ))) 
6 0.1 0.1 peak 2288 volume 11.49127 ppm1 0.750 ppm2 3.298
 
! ############### C13_CNnoesy_manual.2289 folded +
assi (attr store1 < 2.282 and attr store1 > 2.182 )
     ((attr store1 < 0.779 and attr store1 > 0.719 ) and 
      (bondedto (attr store1 < 106.116722631  and attr store1 > 105.316722631 ) or 
       bondedto (attr store1 < 58.374  and attr store1 > 57.574 ) or 
       bondedto (attr store1 < 10.6312773688  and attr store1 > 9.8312773688 ))) 
6 0.1 0.1 peak 2289 volume 41.88958 ppm1 0.749 ppm2 2.232
 
! ############### C13_CNnoesy_manual.2290 folded +
assi (attr store1 < 2.014 and attr store1 > 1.914 )
     ((attr store1 < 0.779 and attr store1 > 0.719 ) and 
      (bondedto (attr store1 < 106.114722631  and attr store1 > 105.314722631 ) or 
       bondedto (attr store1 < 58.372  and attr store1 > 57.572 ) or 
       bondedto (attr store1 < 10.6292773688  and attr store1 > 9.8292773688 ))) 
6 0.1 0.1 peak 2290 volume 99.58896 ppm1 0.749 ppm2 1.964
 
! ############### C13_CNnoesy_manual.2291 folded +
assi (attr store1 < 1.526 and attr store1 > 1.426 )
     ((attr store1 < 0.779 and attr store1 > 0.719 ) and 
      (bondedto (attr store1 < 106.129722631  and attr store1 > 105.329722631 ) or 
       bondedto (attr store1 < 58.387  and attr store1 > 57.587 ) or 
       bondedto (attr store1 < 10.6442773688  and attr store1 > 9.8442773688 ))) 
6 0.1 0.1 peak 2291 volume 89.83884 ppm1 0.749 ppm2 1.476
 
! ############### C13_CNnoesy_manual.2292 folded +
assi (attr store1 < 0.961 and attr store1 > 0.861 )
     ((attr store1 < 0.777 and attr store1 > 0.717 ) and 
      (bondedto (attr store1 < 106.110722631  and attr store1 > 105.310722631 ) or 
       bondedto (attr store1 < 58.368  and attr store1 > 57.568 ) or 
       bondedto (attr store1 < 10.6252773688  and attr store1 > 9.8252773688 ))) 
6 0.1 0.1 peak 2292 volume 98.27222 ppm1 0.747 ppm2 0.911
 
! ############### C13_CNnoesy_manual.2293 folded +
assi (attr store1 < 0.799 and attr store1 > 0.699 )
     ((attr store1 < 0.779 and attr store1 > 0.719 ) and 
      (bondedto (attr store1 < 106.119722631  and attr store1 > 105.319722631 ) or 
       bondedto (attr store1 < 58.377  and attr store1 > 57.577 ) or 
       bondedto (attr store1 < 10.6342773688  and attr store1 > 9.8342773688 ))) 
6 0.1 0.1 peak 2293 volume 3003.26514 ppm1 0.749 ppm2 0.749
 
! ############### C13_CNnoesy_manual.2294 folded -
assi (attr store1 < 3.907 and attr store1 > 3.807 )
     ((attr store1 < 2.622 and attr store1 > 2.562 ) and 
      (bondedto (attr store1 < 130.015083947  and attr store1 > 129.215083947 ) or 
       bondedto (attr store1 < 34.5296386844  and attr store1 > 33.7296386844 ))) 
6 0.1 0.1 peak 2294 volume 20.84881 ppm1 2.592 ppm2 3.857
 
! ############### C13_CNnoesy_manual.2295 folded -
assi (attr store1 < 2.16 and attr store1 > 2.06 )
     ((attr store1 < 2.616 and attr store1 > 2.556 ) and 
      (bondedto (attr store1 < 130.029083947  and attr store1 > 129.229083947 ) or 
       bondedto (attr store1 < 34.5436386844  and attr store1 > 33.7436386844 ))) 
6 0.1 0.1 peak 2295 volume 43.07592 ppm1 2.586 ppm2 2.110
 
! ############### C13_CNnoesy_manual.2296 folded +
assi (attr store1 < 7.484 and attr store1 > 7.384 )
     ((attr store1 < 4.11 and attr store1 > 4.05 ) and 
      (bondedto (attr store1 < 106.002722631  and attr store1 > 105.202722631 ) or 
       bondedto (attr store1 < 58.26  and attr store1 > 57.46 ) or 
       bondedto (attr store1 < 10.5172773688  and attr store1 > 9.7172773688 ))) 
6 0.1 0.1 peak 2296 volume 8.57966 ppm1 4.080 ppm2 7.434
 
! ############### C13_CNnoesy_manual.2297 folded +
assi (attr store1 < 4.131 and attr store1 > 4.031 )
     ((attr store1 < 4.111 and attr store1 > 4.051 ) and 
      (bondedto (attr store1 < 106.006722631  and attr store1 > 105.206722631 ) or 
       bondedto (attr store1 < 58.264  and attr store1 > 57.464 ) or 
       bondedto (attr store1 < 10.5212773688  and attr store1 > 9.7212773688 ))) 
6 0.1 0.1 peak 2297 volume 416.80667 ppm1 4.081 ppm2 4.081
 
! ############### C13_CNnoesy_manual.2298 folded +
assi (attr store1 < 3.054 and attr store1 > 2.954 )
     ((attr store1 < 4.109 and attr store1 > 4.049 ) and 
      (bondedto (attr store1 < 106.013722631  and attr store1 > 105.213722631 ) or 
       bondedto (attr store1 < 58.271  and attr store1 > 57.471 ) or 
       bondedto (attr store1 < 10.5282773688  and attr store1 > 9.7282773688 ))) 
6 0.1 0.1 peak 2298 volume 18.60868 ppm1 4.079 ppm2 3.004
 
! ############### C13_CNnoesy_manual.2299 folded +
assi (attr store1 < 1.854 and attr store1 > 1.754 )
     ((attr store1 < 4.111 and attr store1 > 4.051 ) and 
      (bondedto (attr store1 < 105.997722631  and attr store1 > 105.197722631 ) or 
       bondedto (attr store1 < 58.255  and attr store1 > 57.455 ) or 
       bondedto (attr store1 < 10.5122773688  and attr store1 > 9.7122773688 ))) 
6 0.1 0.1 peak 2299 volume 25.69077 ppm1 4.081 ppm2 1.804
 
! ############### C13_CNnoesy_manual.2300 folded +
assi (attr store1 < 1.649 and attr store1 > 1.549 )
     ((attr store1 < 4.109 and attr store1 > 4.049 ) and 
      (bondedto (attr store1 < 106.007722631  and attr store1 > 105.207722631 ) or 
       bondedto (attr store1 < 58.265  and attr store1 > 57.465 ) or 
       bondedto (attr store1 < 10.5222773688  and attr store1 > 9.7222773688 ))) 
6 0.1 0.1 peak 2300 volume 8.71751 ppm1 4.079 ppm2 1.599
 
! ############### C13_CNnoesy_manual.2301 folded +
assi (attr store1 < 8.707 and attr store1 > 8.607 )
     ((attr store1 < 4.106 and attr store1 > 4.046 ) and 
      (bondedto (attr store1 < 106.025722631  and attr store1 > 105.225722631 ) or 
       bondedto (attr store1 < 58.283  and attr store1 > 57.483 ) or 
       bondedto (attr store1 < 10.5402773688  and attr store1 > 9.7402773688 ))) 
6 0.1 0.1 peak 2301 volume 8.98275 ppm1 4.076 ppm2 8.657
 
! ############### C13_CNnoesy_manual.2302 folded +
assi (attr store1 < 8.464 and attr store1 > 8.364 )
     ((attr store1 < 4.106 and attr store1 > 4.046 ) and 
      (bondedto (attr store1 < 105.981722631  and attr store1 > 105.181722631 ) or 
       bondedto (attr store1 < 58.239  and attr store1 > 57.439 ) or 
       bondedto (attr store1 < 10.4962773688  and attr store1 > 9.6962773688 ))) 
6 0.1 0.1 peak 2302 volume 25.93337 ppm1 4.076 ppm2 8.414
 
! ############### C13_CNnoesy_manual.2303 folded +
assi (attr store1 < 7.648 and attr store1 > 7.548 )
     ((attr store1 < 4.107 and attr store1 > 4.047 ) and 
      (bondedto (attr store1 < 105.985722631  and attr store1 > 105.185722631 ) or 
       bondedto (attr store1 < 58.243  and attr store1 > 57.443 ) or 
       bondedto (attr store1 < 10.5002773688  and attr store1 > 9.7002773688 ))) 
6 0.1 0.1 peak 2303 volume 13.14662 ppm1 4.077 ppm2 7.598
 
! ############### C13_CNnoesy_manual.2304 folded +
assi (attr store1 < 3.685 and attr store1 > 3.585 )
     ((attr store1 < 4.108 and attr store1 > 4.048 ) and 
      (bondedto (attr store1 < 105.972722631  and attr store1 > 105.172722631 ) or 
       bondedto (attr store1 < 58.23  and attr store1 > 57.43 ) or 
       bondedto (attr store1 < 10.4872773688  and attr store1 > 9.6872773688 ))) 
6 0.1 0.1 peak 2304 volume 20.80293 ppm1 4.078 ppm2 3.635
 
! ############### C13_CNnoesy_manual.2305 folded +
assi (attr store1 < 2.048 and attr store1 > 1.948 )
     ((attr store1 < 4.109 and attr store1 > 4.049 ) and 
      (bondedto (attr store1 < 105.986722631  and attr store1 > 105.186722631 ) or 
       bondedto (attr store1 < 58.244  and attr store1 > 57.444 ) or 
       bondedto (attr store1 < 10.5012773688  and attr store1 > 9.7012773688 ))) 
6 0.1 0.1 peak 2305 volume 26.12574 ppm1 4.079 ppm2 1.998
 
! ############### C13_CNnoesy_manual.2306 folded +
assi (attr store1 < 1.321 and attr store1 > 1.221 )
     ((attr store1 < 4.108 and attr store1 > 4.048 ) and 
      (bondedto (attr store1 < 105.978722631  and attr store1 > 105.178722631 ) or 
       bondedto (attr store1 < 58.236  and attr store1 > 57.436 ) or 
       bondedto (attr store1 < 10.4932773688  and attr store1 > 9.6932773688 ))) 
6 0.1 0.1 peak 2306 volume 34.83670 ppm1 4.078 ppm2 1.271
 
! ############### C13_CNnoesy_manual.2307 folded +
assi (attr store1 < 0.825 and attr store1 > 0.725 )
     ((attr store1 < 4.109 and attr store1 > 4.049 ) and 
      (bondedto (attr store1 < 105.982722631  and attr store1 > 105.182722631 ) or 
       bondedto (attr store1 < 58.24  and attr store1 > 57.44 ) or 
       bondedto (attr store1 < 10.4972773688  and attr store1 > 9.6972773688 ))) 
6 0.1 0.1 peak 2307 volume 105.50638 ppm1 4.079 ppm2 0.775
 
! ############### C13_CNnoesy_manual.2308 folded +
assi (attr store1 < 8.401 and attr store1 > 8.301 )
     ((attr store1 < 4.333 and attr store1 > 4.273 ) and 
      (bondedto (attr store1 < 105.730722631  and attr store1 > 104.930722631 ) or 
       bondedto (attr store1 < 57.988  and attr store1 > 57.188 ) or 
       bondedto (attr store1 < 10.2452773688  and attr store1 > 9.4452773688 ))) 
6 0.1 0.1 peak 2308 volume 15.26665 ppm1 4.303 ppm2 8.351
 
! ############### C13_CNnoesy_manual.2309 folded +
assi (attr store1 < 8.231 and attr store1 > 8.131 )
     ((attr store1 < 4.33 and attr store1 > 4.27 ) and 
      (bondedto (attr store1 < 105.747722631  and attr store1 > 104.947722631 ) or 
       bondedto (attr store1 < 58.005  and attr store1 > 57.205 ) or 
       bondedto (attr store1 < 10.2622773688  and attr store1 > 9.4622773688 ))) 
6 0.1 0.1 peak 2309 volume 38.55150 ppm1 4.300 ppm2 8.181
 
! ############### C13_CNnoesy_manual.2310 folded +
assi (attr store1 < 1.73 and attr store1 > 1.63 )
     ((attr store1 < 4.329 and attr store1 > 4.269 ) and 
      (bondedto (attr store1 < 105.749722631  and attr store1 > 104.949722631 ) or 
       bondedto (attr store1 < 58.007  and attr store1 > 57.207 ) or 
       bondedto (attr store1 < 10.2642773688  and attr store1 > 9.4642773688 ))) 
6 0.1 0.1 peak 2310 volume 83.74966 ppm1 4.299 ppm2 1.680
 
! ############### C13_CNnoesy_manual.2311 folded +
assi (attr store1 < 1.051 and attr store1 > 0.951 )
     ((attr store1 < 4.33 and attr store1 > 4.27 ) and 
      (bondedto (attr store1 < 105.734722631  and attr store1 > 104.934722631 ) or 
       bondedto (attr store1 < 57.992  and attr store1 > 57.192 ) or 
       bondedto (attr store1 < 10.2492773688  and attr store1 > 9.4492773688 ))) 
6 0.1 0.1 peak 2311 volume 87.33174 ppm1 4.300 ppm2 1.001
 
! ############### C13_CNnoesy_manual.2312 folded +
assi (attr store1 < 7.741 and attr store1 > 7.641 )
     ((attr store1 < 3.981 and attr store1 > 3.921 ) and 
      (bondedto (attr store1 < 105.742722631  and attr store1 > 104.942722631 ) or 
       bondedto (attr store1 < 58.0  and attr store1 > 57.2 ) or 
       bondedto (attr store1 < 10.2572773688  and attr store1 > 9.4572773688 ))) 
6 0.1 0.1 peak 2312 volume 11.26070 ppm1 3.951 ppm2 7.691
 
! ############### C13_CNnoesy_manual.2313 folded +
assi (attr store1 < 7.365 and attr store1 > 7.265 )
     ((attr store1 < 3.982 and attr store1 > 3.922 ) and 
      (bondedto (attr store1 < 105.749722631  and attr store1 > 104.949722631 ) or 
       bondedto (attr store1 < 58.007  and attr store1 > 57.207 ) or 
       bondedto (attr store1 < 10.2642773688  and attr store1 > 9.4642773688 ))) 
6 0.1 0.1 peak 2313 volume 27.59269 ppm1 3.952 ppm2 7.315
 
! ############### C13_CNnoesy_manual.2314 folded +
assi (attr store1 < 4.001 and attr store1 > 3.901 )
     ((attr store1 < 3.982 and attr store1 > 3.922 ) and 
      (bondedto (attr store1 < 105.746722631  and attr store1 > 104.946722631 ) or 
       bondedto (attr store1 < 58.004  and attr store1 > 57.204 ) or 
       bondedto (attr store1 < 10.2612773688  and attr store1 > 9.4612773688 ))) 
6 0.1 0.1 peak 2314 volume 545.45850 ppm1 3.952 ppm2 3.951
 
! ############### C13_CNnoesy_manual.2315 folded +
assi (attr store1 < 1.832 and attr store1 > 1.732 )
     ((attr store1 < 3.982 and attr store1 > 3.922 ) and 
      (bondedto (attr store1 < 105.748722631  and attr store1 > 104.948722631 ) or 
       bondedto (attr store1 < 58.006  and attr store1 > 57.206 ) or 
       bondedto (attr store1 < 10.2632773688  and attr store1 > 9.4632773688 ))) 
6 0.1 0.1 peak 2315 volume 54.76733 ppm1 3.952 ppm2 1.782
 
! ############### C13_CNnoesy_manual.2316 folded +
assi (attr store1 < 1.415 and attr store1 > 1.315 )
     ((attr store1 < 3.981 and attr store1 > 3.921 ) and 
      (bondedto (attr store1 < 105.768722631  and attr store1 > 104.968722631 ) or 
       bondedto (attr store1 < 58.026  and attr store1 > 57.226 ) or 
       bondedto (attr store1 < 10.2832773688  and attr store1 > 9.4832773688 ))) 
6 0.1 0.1 peak 2316 volume 45.30517 ppm1 3.951 ppm2 1.365
 
! ############### C13_CNnoesy_manual.2317 folded +
assi (attr store1 < 1.245 and attr store1 > 1.145 )
     ((attr store1 < 3.982 and attr store1 > 3.922 ) and 
      (bondedto (attr store1 < 105.753722631  and attr store1 > 104.953722631 ) or 
       bondedto (attr store1 < 58.011  and attr store1 > 57.211 ) or 
       bondedto (attr store1 < 10.2682773688  and attr store1 > 9.4682773688 ))) 
6 0.1 0.1 peak 2317 volume 48.27785 ppm1 3.952 ppm2 1.195
 
! ############### C13_CNnoesy_manual.2318 folded +
assi (attr store1 < 1.078 and attr store1 > 0.978 )
     ((attr store1 < 3.981 and attr store1 > 3.921 ) and 
      (bondedto (attr store1 < 105.751722631  and attr store1 > 104.951722631 ) or 
       bondedto (attr store1 < 58.009  and attr store1 > 57.209 ) or 
       bondedto (attr store1 < 10.2662773688  and attr store1 > 9.4662773688 ))) 
6 0.1 0.1 peak 2318 volume 29.68461 ppm1 3.951 ppm2 1.028
 
! ############### C13_CNnoesy_manual.2319 folded +
assi (attr store1 < 0.931 and attr store1 > 0.831 )
     ((attr store1 < 3.982 and attr store1 > 3.922 ) and 
      (bondedto (attr store1 < 105.750722631  and attr store1 > 104.950722631 ) or 
       bondedto (attr store1 < 58.008  and attr store1 > 57.208 ) or 
       bondedto (attr store1 < 10.2652773688  and attr store1 > 9.4652773688 ))) 
6 0.1 0.1 peak 2319 volume 92.04441 ppm1 3.952 ppm2 0.881
 
! ############### C13_CNnoesy_manual.2320 folded +
assi (attr store1 < 8.081 and attr store1 > 7.981 )
     ((attr store1 < 4.356 and attr store1 > 4.296 ) and 
      (bondedto (attr store1 < 105.638722631  and attr store1 > 104.838722631 ) or 
       bondedto (attr store1 < 57.896  and attr store1 > 57.096 ) or 
       bondedto (attr store1 < 10.1532773688  and attr store1 > 9.3532773688 ))) 
6 0.1 0.1 peak 2320 volume 21.03765 ppm1 4.326 ppm2 8.031
 
! ############### C13_CNnoesy_manual.2321 folded +
assi (attr store1 < 7.728 and attr store1 > 7.628 )
     ((attr store1 < 4.358 and attr store1 > 4.298 ) and 
      (bondedto (attr store1 < 105.643722631  and attr store1 > 104.843722631 ) or 
       bondedto (attr store1 < 57.901  and attr store1 > 57.101 ) or 
       bondedto (attr store1 < 10.1582773688  and attr store1 > 9.3582773688 ))) 
6 0.1 0.1 peak 2321 volume 28.27823 ppm1 4.328 ppm2 7.678
 
! ############### C13_CNnoesy_manual.2322 folded +
assi (attr store1 < 2.411 and attr store1 > 2.311 )
     ((attr store1 < 4.361 and attr store1 > 4.301 ) and 
      (bondedto (attr store1 < 105.643722631  and attr store1 > 104.843722631 ) or 
       bondedto (attr store1 < 57.901  and attr store1 > 57.101 ) or 
       bondedto (attr store1 < 10.1582773688  and attr store1 > 9.3582773688 ))) 
6 0.1 0.1 peak 2322 volume 57.61031 ppm1 4.331 ppm2 2.361
 
! ############### C13_CNnoesy_manual.2323 folded +
assi (attr store1 < 2.23 and attr store1 > 2.13 )
     ((attr store1 < 4.359 and attr store1 > 4.299 ) and 
      (bondedto (attr store1 < 105.647722631  and attr store1 > 104.847722631 ) or 
       bondedto (attr store1 < 57.905  and attr store1 > 57.105 ) or 
       bondedto (attr store1 < 10.1622773688  and attr store1 > 9.3622773688 ))) 
6 0.1 0.1 peak 2323 volume 89.98718 ppm1 4.329 ppm2 2.180
 
! ############### C13_CNnoesy_manual.2324 folded +
assi (attr store1 < 8.459 and attr store1 > 8.359 )
     ((attr store1 < 4.345 and attr store1 > 4.285 ) and 
      (bondedto (attr store1 < 105.660722631  and attr store1 > 104.860722631 ) or 
       bondedto (attr store1 < 57.918  and attr store1 > 57.118 ) or 
       bondedto (attr store1 < 10.1752773688  and attr store1 > 9.3752773688 ))) 
6 0.1 0.1 peak 2324 volume 15.13523 ppm1 4.315 ppm2 8.409
 
! ############### C13_CNnoesy_manual.2325 folded +
assi (attr store1 < 4.362 and attr store1 > 4.262 )
     ((attr store1 < 4.348 and attr store1 > 4.288 ) and 
      (bondedto (attr store1 < 105.697722631  and attr store1 > 104.897722631 ) or 
       bondedto (attr store1 < 57.955  and attr store1 > 57.155 ) or 
       bondedto (attr store1 < 10.2122773688  and attr store1 > 9.4122773688 ))) 
6 0.1 0.1 peak 2325 volume 884.03174 ppm1 4.318 ppm2 4.312
 
! ############### C13_CNnoesy_manual.2326 folded +
assi (attr store1 < 1.915 and attr store1 > 1.815 )
     ((attr store1 < 4.346 and attr store1 > 4.286 ) and 
      (bondedto (attr store1 < 105.664722631  and attr store1 > 104.864722631 ) or 
       bondedto (attr store1 < 57.922  and attr store1 > 57.122 ) or 
       bondedto (attr store1 < 10.1792773688  and attr store1 > 9.3792773688 ))) 
6 0.1 0.1 peak 2326 volume 105.73135 ppm1 4.316 ppm2 1.865
 
! ############### C13_CNnoesy_manual.2327 folded +
assi (attr store1 < 4.34 and attr store1 > 4.24 )
     ((attr store1 < 4.322 and attr store1 > 4.262 ) and 
      (bondedto (attr store1 < 105.701722631  and attr store1 > 104.901722631 ) or 
       bondedto (attr store1 < 57.959  and attr store1 > 57.159 ) or 
       bondedto (attr store1 < 10.2162773688  and attr store1 > 9.4162773688 ))) 
6 0.1 0.1 peak 2327 volume 819.41150 ppm1 4.292 ppm2 4.290
 
! ############### C13_CNnoesy_manual.2328 folded +
assi (attr store1 < 8.589 and attr store1 > 8.489 )
     ((attr store1 < 3.98 and attr store1 > 3.92 ) and 
      (bondedto (attr store1 < 105.690722631  and attr store1 > 104.890722631 ) or 
       bondedto (attr store1 < 57.948  and attr store1 > 57.148 ) or 
       bondedto (attr store1 < 10.2052773688  and attr store1 > 9.4052773688 ))) 
6 0.1 0.1 peak 2328 volume 9.67280 ppm1 3.950 ppm2 8.539
 
! ############### C13_CNnoesy_manual.2329 folded +
assi (attr store1 < 3.147 and attr store1 > 3.047 )
     ((attr store1 < 4.359 and attr store1 > 4.299 ) and 
      (bondedto (attr store1 < 105.583722631  and attr store1 > 104.783722631 ) or 
       bondedto (attr store1 < 57.841  and attr store1 > 57.041 ) or 
       bondedto (attr store1 < 10.0982773688  and attr store1 > 9.2982773688 ))) 
6 0.1 0.1 peak 2329 volume 8.27636 ppm1 4.329 ppm2 3.097
 
! ############### C13_CNnoesy_manual.2330 folded -
assi (attr store1 < 4.462 and attr store1 > 4.362 )
     ((attr store1 < 1.964 and attr store1 > 1.904 ) and 
      (bondedto (attr store1 < 129.158083947  and attr store1 > 128.358083947 ) or 
       bondedto (attr store1 < 33.6726386844  and attr store1 > 32.8726386844 ))) 
6 0.1 0.1 peak 2330 volume 31.14993 ppm1 1.934 ppm2 4.412
 
! ############### C13_CNnoesy_manual.2331 folded -
assi (attr store1 < 1.948 and attr store1 > 1.848 )
     ((attr store1 < 1.953 and attr store1 > 1.893 ) and 
      (bondedto (attr store1 < 129.155083947  and attr store1 > 128.355083947 ) or 
       bondedto (attr store1 < 33.6696386844  and attr store1 > 32.8696386844 ))) 
6 0.1 0.1 peak 2331 volume 1847.0824 ppm1 1.923 ppm2 1.898
 
! ############### C13_CNnoesy_manual.2332 folded -
assi (attr store1 < 4.459 and attr store1 > 4.359 )
     ((attr store1 < 1.861 and attr store1 > 1.801 ) and 
      (bondedto (attr store1 < 129.120083947  and attr store1 > 128.320083947 ) or 
       bondedto (attr store1 < 33.6346386844  and attr store1 > 32.8346386844 ))) 
6 0.1 0.1 peak 2332 volume 26.91328 ppm1 1.831 ppm2 4.409
 
! ############### C13_CNnoesy_manual.2333 folded -
assi (attr store1 < 1.907 and attr store1 > 1.807 )
     ((attr store1 < 1.863 and attr store1 > 1.803 ) and 
      (bondedto (attr store1 < 129.149083947  and attr store1 > 128.349083947 ) or 
       bondedto (attr store1 < 33.6636386844  and attr store1 > 32.8636386844 ))) 
6 0.1 0.1 peak 2333 volume 1832.36816 ppm1 1.833 ppm2 1.857
 
! ############### C13_CNnoesy_manual.2334 folded -
assi (attr store1 < 1.583 and attr store1 > 1.483 )
     ((attr store1 < 1.861 and attr store1 > 1.801 ) and 
      (bondedto (attr store1 < 129.127083947  and attr store1 > 128.327083947 ) or 
       bondedto (attr store1 < 33.6416386844  and attr store1 > 32.8416386844 ))) 
6 0.1 0.1 peak 2334 volume 104.30054 ppm1 1.831 ppm2 1.533
 
! ############### C13_CNnoesy_manual.2335 folded -
assi (attr store1 < 1.586 and attr store1 > 1.486 )
     ((attr store1 < 1.96 and attr store1 > 1.9 ) and 
      (bondedto (attr store1 < 129.099083947  and attr store1 > 128.299083947 ) or 
       bondedto (attr store1 < 33.6136386844  and attr store1 > 32.8136386844 ))) 
6 0.1 0.1 peak 2335 volume 111.73344 ppm1 1.930 ppm2 1.536
 
! ############### C13_CNnoesy_manual.2336 folded +
assi (attr store1 < 9.585 and attr store1 > 9.485 )
     ((attr store1 < 5.025 and attr store1 > 4.965 ) and 
      (bondedto (attr store1 < 105.015722631  and attr store1 > 104.215722631 ) or 
       bondedto (attr store1 < 57.273  and attr store1 > 56.473 ) or 
       bondedto (attr store1 < 9.5302773688  and attr store1 > 8.7302773688 ))) 
6 0.1 0.1 peak 2336 volume 8.85729 ppm1 4.995 ppm2 9.535
 
! ############### C13_CNnoesy_manual.2337 folded +
assi (attr store1 < 7.676 and attr store1 > 7.576 )
     ((attr store1 < 5.015 and attr store1 > 4.955 ) and 
      (bondedto (attr store1 < 105.028722631  and attr store1 > 104.228722631 ) or 
       bondedto (attr store1 < 57.286  and attr store1 > 56.486 ) or 
       bondedto (attr store1 < 9.5432773688  and attr store1 > 8.7432773688 ))) 
6 0.1 0.1 peak 2337 volume 13.78524 ppm1 4.985 ppm2 7.626
 
! ############### C13_CNnoesy_manual.2338 folded +
assi (attr store1 < 5.035 and attr store1 > 4.935 )
     ((attr store1 < 5.016 and attr store1 > 4.956 ) and 
      (bondedto (attr store1 < 105.055722631  and attr store1 > 104.255722631 ) or 
       bondedto (attr store1 < 57.313  and attr store1 > 56.513 ) or 
       bondedto (attr store1 < 9.5702773688  and attr store1 > 8.7702773688 ))) 
6 0.1 0.1 peak 2338 volume 310.47430 ppm1 4.986 ppm2 4.985
 
! ############### C13_CNnoesy_manual.2339 folded +
assi (attr store1 < 0.797 and attr store1 > 0.697 )
     ((attr store1 < 5.015 and attr store1 > 4.955 ) and 
      (bondedto (attr store1 < 105.021722631  and attr store1 > 104.221722631 ) or 
       bondedto (attr store1 < 57.279  and attr store1 > 56.479 ) or 
       bondedto (attr store1 < 9.5362773688  and attr store1 > 8.7362773688 ))) 
6 0.1 0.1 peak 2339 volume 21.86717 ppm1 4.985 ppm2 0.747
 
! ############### C13_CNnoesy_manual.2340 folded +
assi (attr store1 < 0.982 and attr store1 > 0.882 )
     ((attr store1 < 4.308 and attr store1 > 4.248 ) and 
      (bondedto (attr store1 < 105.017722631  and attr store1 > 104.217722631 ) or 
       bondedto (attr store1 < 57.275  and attr store1 > 56.475 ) or 
       bondedto (attr store1 < 9.5322773688  and attr store1 > 8.7322773688 ))) 
6 0.1 0.1 peak 2340 volume 28.56221 ppm1 4.278 ppm2 0.932
 
! ############### C13_CNnoesy_manual.2341 folded +
assi (attr store1 < 4.316 and attr store1 > 4.216 )
     ((attr store1 < 4.298 and attr store1 > 4.238 ) and 
      (bondedto (attr store1 < 104.986722631  and attr store1 > 104.186722631 ) or 
       bondedto (attr store1 < 57.244  and attr store1 > 56.444 ) or 
       bondedto (attr store1 < 9.5012773688  and attr store1 > 8.7012773688 ))) 
6 0.1 0.1 peak 2341 volume 2326.58545 ppm1 4.268 ppm2 4.266
 
! ############### C13_CNnoesy_manual.2342 folded +
assi (attr store1 < 1.708 and attr store1 > 1.608 )
     ((attr store1 < 4.3 and attr store1 > 4.24 ) and 
      (bondedto (attr store1 < 105.012722631  and attr store1 > 104.212722631 ) or 
       bondedto (attr store1 < 57.27  and attr store1 > 56.47 ) or 
       bondedto (attr store1 < 9.5272773688  and attr store1 > 8.7272773688 ))) 
6 0.1 0.1 peak 2342 volume 33.97993 ppm1 4.270 ppm2 1.658
 
! ############### C13_CNnoesy_manual.2343 folded -
assi (attr store1 < 8.706 and attr store1 > 8.606 )
     ((attr store1 < 2.09 and attr store1 > 2.03 ) and 
      (bondedto (attr store1 < 128.891083947  and attr store1 > 128.091083947 ) or 
       bondedto (attr store1 < 33.4056386844  and attr store1 > 32.6056386844 ))) 
6 0.1 0.1 peak 2343 volume 21.48629 ppm1 2.060 ppm2 8.656
 
! ############### C13_CNnoesy_manual.2344 folded -
assi (attr store1 < 4.508 and attr store1 > 4.408 )
     ((attr store1 < 2.09 and attr store1 > 2.03 ) and 
      (bondedto (attr store1 < 128.837083947  and attr store1 > 128.037083947 ) or 
       bondedto (attr store1 < 33.3516386844  and attr store1 > 32.5516386844 ))) 
6 0.1 0.1 peak 2344 volume 12.70256 ppm1 2.060 ppm2 4.458
 
! ############### C13_CNnoesy_manual.2345 folded -
assi (attr store1 < 1.818 and attr store1 > 1.718 )
     ((attr store1 < 2.013 and attr store1 > 1.953 ) and 
      (bondedto (attr store1 < 128.835083947  and attr store1 > 128.035083947 ) or 
       bondedto (attr store1 < 33.3496386844  and attr store1 > 32.5496386844 ))) 
6 0.1 0.1 peak 2345 volume 216.86638 ppm1 1.983 ppm2 1.768
 
! ############### C13_CNnoesy_manual.2346 folded -
assi (attr store1 < 8.698 and attr store1 > 8.598 )
     ((attr store1 < 1.994 and attr store1 > 1.934 ) and 
      (bondedto (attr store1 < 128.916083947  and attr store1 > 128.116083947 ) or 
       bondedto (attr store1 < 33.4306386844  and attr store1 > 32.6306386844 ))) 
6 0.1 0.1 peak 2346 volume 19.88826 ppm1 1.964 ppm2 8.648
 
! ############### C13_CNnoesy_manual.2347 folded -
assi (attr store1 < 2.205 and attr store1 > 2.105 )
     ((attr store1 < 2.187 and attr store1 > 2.127 ) and 
      (bondedto (attr store1 < 128.818083947  and attr store1 > 128.018083947 ) or 
       bondedto (attr store1 < 33.3326386844  and attr store1 > 32.5326386844 ))) 
6 0.1 0.1 peak 2347 volume 193.78407 ppm1 2.157 ppm2 2.155
 
! ############### C13_CNnoesy_manual.2348 folded -
assi (attr store1 < 3.162 and attr store1 > 3.062 )
     ((attr store1 < 2.013 and attr store1 > 1.953 ) and 
      (bondedto (attr store1 < 128.799083947  and attr store1 > 127.999083947 ) or 
       bondedto (attr store1 < 33.3136386844  and attr store1 > 32.5136386844 ))) 
6 0.1 0.1 peak 2348 volume 11.12557 ppm1 1.983 ppm2 3.112
 
! ############### C13_CNnoesy_manual.2349 folded -
assi (attr store1 < 2.037 and attr store1 > 1.937 )
     ((attr store1 < 2.016 and attr store1 > 1.956 ) and 
      (bondedto (attr store1 < 128.804083947  and attr store1 > 128.004083947 ) or 
       bondedto (attr store1 < 33.3186386844  and attr store1 > 32.5186386844 ))) 
6 0.1 0.1 peak 2349 volume 1514.20142 ppm1 1.986 ppm2 1.987
 
! ############### C13_CNnoesy_manual.2350 folded +
assi (attr store1 < 8.065 and attr store1 > 7.965 )
     ((attr store1 < 4.498 and attr store1 > 4.438 ) and 
      (bondedto (attr store1 < 104.785722631  and attr store1 > 103.985722631 ) or 
       bondedto (attr store1 < 57.043  and attr store1 > 56.243 ) or 
       bondedto (attr store1 < 9.3002773688  and attr store1 > 8.5002773688 ))) 
6 0.1 0.1 peak 2350 volume 46.99709 ppm1 4.468 ppm2 8.015
 
! ############### C13_CNnoesy_manual.2351 folded +
assi (attr store1 < 2.979 and attr store1 > 2.879 )
     ((attr store1 < 4.499 and attr store1 > 4.439 ) and 
      (bondedto (attr store1 < 104.777722631  and attr store1 > 103.977722631 ) or 
       bondedto (attr store1 < 57.035  and attr store1 > 56.235 ) or 
       bondedto (attr store1 < 9.2922773688  and attr store1 > 8.4922773688 ))) 
6 0.1 0.1 peak 2351 volume 99.12159 ppm1 4.469 ppm2 2.929
 
! ############### C13_CNnoesy_manual.2352 folded +
assi (attr store1 < 2.095 and attr store1 > 1.995 )
     ((attr store1 < 4.501 and attr store1 > 4.441 ) and 
      (bondedto (attr store1 < 104.782722631  and attr store1 > 103.982722631 ) or 
       bondedto (attr store1 < 57.04  and attr store1 > 56.24 ) or 
       bondedto (attr store1 < 9.2972773688  and attr store1 > 8.4972773688 ))) 
6 0.1 0.1 peak 2352 volume 44.46591 ppm1 4.471 ppm2 2.045
 
! ############### C13_CNnoesy_manual.2353 folded +
assi (attr store1 < 1.846 and attr store1 > 1.746 )
     ((attr store1 < 4.5 and attr store1 > 4.44 ) and 
      (bondedto (attr store1 < 104.799722631  and attr store1 > 103.999722631 ) or 
       bondedto (attr store1 < 57.057  and attr store1 > 56.257 ) or 
       bondedto (attr store1 < 9.3142773688  and attr store1 > 8.5142773688 ))) 
6 0.1 0.1 peak 2353 volume 34.20623 ppm1 4.470 ppm2 1.796
 
! ############### C13_CNnoesy_manual.2354 folded +
assi (attr store1 < 1.571 and attr store1 > 1.471 )
     ((attr store1 < 4.499 and attr store1 > 4.439 ) and 
      (bondedto (attr store1 < 104.787722631  and attr store1 > 103.987722631 ) or 
       bondedto (attr store1 < 57.045  and attr store1 > 56.245 ) or 
       bondedto (attr store1 < 9.3022773688  and attr store1 > 8.5022773688 ))) 
6 0.1 0.1 peak 2354 volume 12.83961 ppm1 4.469 ppm2 1.521
 
! ############### C13_CNnoesy_manual.2355 folded +
assi (attr store1 < 7.853 and attr store1 > 7.753 )
     ((attr store1 < 4.414 and attr store1 > 4.354 ) and 
      (bondedto (attr store1 < 104.803722631  and attr store1 > 104.003722631 ) or 
       bondedto (attr store1 < 57.061  and attr store1 > 56.261 ) or 
       bondedto (attr store1 < 9.3182773688  and attr store1 > 8.5182773688 ))) 
6 0.1 0.1 peak 2355 volume 19.49683 ppm1 4.384 ppm2 7.803
 
! ############### C13_CNnoesy_manual.2356 folded -
assi (attr store1 < 1.589 and attr store1 > 1.489 )
     ((attr store1 < 2.155 and attr store1 > 2.095 ) and 
      (bondedto (attr store1 < 128.664083947  and attr store1 > 127.864083947 ) or 
       bondedto (attr store1 < 33.1786386844  and attr store1 > 32.3786386844 ))) 
6 0.1 0.1 peak 2356 volume 9.06647 ppm1 2.125 ppm2 1.539
 
! ############### C13_CNnoesy_manual.2357 folded -
assi (attr store1 < 7.057 and attr store1 > 6.957 )
     ((attr store1 < 2.126 and attr store1 > 2.066 ) and 
      (bondedto (attr store1 < 128.680083947  and attr store1 > 127.880083947 ) or 
       bondedto (attr store1 < 33.1946386844  and attr store1 > 32.3946386844 ))) 
6 0.1 0.1 peak 2357 volume 25.32017 ppm1 2.096 ppm2 7.007
 
! ############### C13_CNnoesy_manual.2358 folded -
assi (attr store1 < 4.36 and attr store1 > 4.26 )
     ((attr store1 < 2.126 and attr store1 > 2.066 ) and 
      (bondedto (attr store1 < 128.683083947  and attr store1 > 127.883083947 ) or 
       bondedto (attr store1 < 33.1976386844  and attr store1 > 32.3976386844 ))) 
6 0.1 0.1 peak 2358 volume 26.40112 ppm1 2.096 ppm2 4.310
 
! ############### C13_CNnoesy_manual.2359 folded -
assi (attr store1 < 1.739 and attr store1 > 1.639 )
     ((attr store1 < 2.119 and attr store1 > 2.059 ) and 
      (bondedto (attr store1 < 128.674083947  and attr store1 > 127.874083947 ) or 
       bondedto (attr store1 < 33.1886386844  and attr store1 > 32.3886386844 ))) 
6 0.1 0.1 peak 2359 volume 52.32137 ppm1 2.089 ppm2 1.689
 
! ############### C13_CNnoesy_manual.2360 folded -
assi (attr store1 < 1.089 and attr store1 > 0.989 )
     ((attr store1 < 2.124 and attr store1 > 2.064 ) and 
      (bondedto (attr store1 < 128.687083947  and attr store1 > 127.887083947 ) or 
       bondedto (attr store1 < 33.2016386844  and attr store1 > 32.4016386844 ))) 
6 0.1 0.1 peak 2360 volume 20.54351 ppm1 2.094 ppm2 1.039
 
! ############### C13_CNnoesy_manual.2361 folded -
assi (attr store1 < 8.234 and attr store1 > 8.134 )
     ((attr store1 < 2.016 and attr store1 > 1.956 ) and 
      (bondedto (attr store1 < 128.685083947  and attr store1 > 127.885083947 ) or 
       bondedto (attr store1 < 33.1996386844  and attr store1 > 32.3996386844 ))) 
6 0.1 0.1 peak 2361 volume 13.54798 ppm1 1.986 ppm2 8.184
 
! ############### C13_CNnoesy_manual.2362 folded -
assi (attr store1 < 4.35 and attr store1 > 4.25 )
     ((attr store1 < 2.014 and attr store1 > 1.954 ) and 
      (bondedto (attr store1 < 128.682083947  and attr store1 > 127.882083947 ) or 
       bondedto (attr store1 < 33.1966386844  and attr store1 > 32.3966386844 ))) 
6 0.1 0.1 peak 2362 volume 41.77851 ppm1 1.984 ppm2 4.300
 
! ############### C13_CNnoesy_manual.2363 folded -
assi (attr store1 < 1.451 and attr store1 > 1.351 )
     ((attr store1 < 2.003 and attr store1 > 1.943 ) and 
      (bondedto (attr store1 < 128.730083947  and attr store1 > 127.930083947 ) or 
       bondedto (attr store1 < 33.2446386844  and attr store1 > 32.4446386844 ))) 
6 0.1 0.1 peak 2363 volume 16.26066 ppm1 1.973 ppm2 1.401
 
! ############### C13_CNnoesy_manual.2364 folded +
assi (attr store1 < 8.722 and attr store1 > 8.622 )
     ((attr store1 < 4.503 and attr store1 > 4.443 ) and 
      (bondedto (attr store1 < 104.759722631  and attr store1 > 103.959722631 ) or 
       bondedto (attr store1 < 57.017  and attr store1 > 56.217 ) or 
       bondedto (attr store1 < 9.2742773688  and attr store1 > 8.4742773688 ))) 
6 0.1 0.1 peak 2364 volume 20.66362 ppm1 4.473 ppm2 8.672
 
! ############### C13_CNnoesy_manual.2365 folded +
assi (attr store1 < 1.105 and attr store1 > 1.005 )
     ((attr store1 < 4.503 and attr store1 > 4.443 ) and 
      (bondedto (attr store1 < 104.759722631  and attr store1 > 103.959722631 ) or 
       bondedto (attr store1 < 57.017  and attr store1 > 56.217 ) or 
       bondedto (attr store1 < 9.2742773688  and attr store1 > 8.4742773688 ))) 
6 0.1 0.1 peak 2365 volume 18.08253 ppm1 4.473 ppm2 1.055
 
! ############### C13_CNnoesy_manual.2366 folded +
assi (attr store1 < 8.454 and attr store1 > 8.354 )
     ((attr store1 < 4.491 and attr store1 > 4.431 ) and 
      (bondedto (attr store1 < 104.721722631  and attr store1 > 103.921722631 ) or 
       bondedto (attr store1 < 56.979  and attr store1 > 56.179 ) or 
       bondedto (attr store1 < 9.2362773688  and attr store1 > 8.4362773688 ))) 
6 0.1 0.1 peak 2366 volume 6.76319 ppm1 4.461 ppm2 8.404
 
! ############### C13_CNnoesy_manual.2367 folded +
assi (attr store1 < 3.986 and attr store1 > 3.886 )
     ((attr store1 < 4.412 and attr store1 > 4.352 ) and 
      (bondedto (attr store1 < 104.692722631  and attr store1 > 103.892722631 ) or 
       bondedto (attr store1 < 56.95  and attr store1 > 56.15 ) or 
       bondedto (attr store1 < 9.2072773688  and attr store1 > 8.4072773688 ))) 
6 0.1 0.1 peak 2367 volume 9.42043 ppm1 4.382 ppm2 3.936
 
! ############### C13_CNnoesy_manual.2368 folded +
assi (attr store1 < 2.656 and attr store1 > 2.556 )
     ((attr store1 < 4.416 and attr store1 > 4.356 ) and 
      (bondedto (attr store1 < 104.760722631  and attr store1 > 103.960722631 ) or 
       bondedto (attr store1 < 57.018  and attr store1 > 56.218 ) or 
       bondedto (attr store1 < 9.2752773688  and attr store1 > 8.4752773688 ))) 
6 0.1 0.1 peak 2368 volume 55.60412 ppm1 4.386 ppm2 2.606
 
! ############### C13_CNnoesy_manual.2369 folded +
assi (attr store1 < 2.441 and attr store1 > 2.341 )
     ((attr store1 < 4.412 and attr store1 > 4.352 ) and 
      (bondedto (attr store1 < 104.759722631  and attr store1 > 103.959722631 ) or 
       bondedto (attr store1 < 57.017  and attr store1 > 56.217 ) or 
       bondedto (attr store1 < 9.2742773688  and attr store1 > 8.4742773688 ))) 
6 0.1 0.1 peak 2369 volume 52.23919 ppm1 4.382 ppm2 2.391
 
! ############### C13_CNnoesy_manual.2370 folded +
assi (attr store1 < 2.306 and attr store1 > 2.206 )
     ((attr store1 < 4.416 and attr store1 > 4.356 ) and 
      (bondedto (attr store1 < 104.756722631  and attr store1 > 103.956722631 ) or 
       bondedto (attr store1 < 57.014  and attr store1 > 56.214 ) or 
       bondedto (attr store1 < 9.2712773688  and attr store1 > 8.4712773688 ))) 
6 0.1 0.1 peak 2370 volume 42.01829 ppm1 4.386 ppm2 2.256
 
! ############### C13_CNnoesy_manual.2371 folded +
assi (attr store1 < 1.099 and attr store1 > 0.999 )
     ((attr store1 < 4.417 and attr store1 > 4.357 ) and 
      (bondedto (attr store1 < 104.754722631  and attr store1 > 103.954722631 ) or 
       bondedto (attr store1 < 57.012  and attr store1 > 56.212 ) or 
       bondedto (attr store1 < 9.2692773688  and attr store1 > 8.4692773688 ))) 
6 0.1 0.1 peak 2371 volume 12.83658 ppm1 4.387 ppm2 1.049
 
! ############### C13_CNnoesy_manual.2372 folded -
assi (attr store1 < 8.234 and attr store1 > 8.134 )
     ((attr store1 < 2.131 and attr store1 > 2.071 ) and 
      (bondedto (attr store1 < 128.632083947  and attr store1 > 127.832083947 ) or 
       bondedto (attr store1 < 33.1466386844  and attr store1 > 32.3466386844 ))) 
6 0.1 0.1 peak 2372 volume 11.72849 ppm1 2.101 ppm2 8.184
 
! ############### C13_CNnoesy_manual.2373 folded -
assi (attr store1 < 1.272 and attr store1 > 1.172 )
     ((attr store1 < 2.121 and attr store1 > 2.061 ) and 
      (bondedto (attr store1 < 128.598083947  and attr store1 > 127.798083947 ) or 
       bondedto (attr store1 < 33.1126386844  and attr store1 > 32.3126386844 ))) 
6 0.1 0.1 peak 2373 volume 6.57058 ppm1 2.091 ppm2 1.222
 
! ############### C13_CNnoesy_manual.2374 folded -
assi (attr store1 < 0.941 and attr store1 > 0.841 )
     ((attr store1 < 2.123 and attr store1 > 2.063 ) and 
      (bondedto (attr store1 < 128.610083947  and attr store1 > 127.810083947 ) or 
       bondedto (attr store1 < 33.1246386844  and attr store1 > 32.3246386844 ))) 
6 0.1 0.1 peak 2374 volume 23.58805 ppm1 2.093 ppm2 0.891
 
! ############### C13_CNnoesy_manual.2375 folded -
assi (attr store1 < 1.833 and attr store1 > 1.733 )
     ((attr store1 < 2.049 and attr store1 > 1.989 ) and 
      (bondedto (attr store1 < 128.586083947  and attr store1 > 127.786083947 ) or 
       bondedto (attr store1 < 33.1006386844  and attr store1 > 32.3006386844 ))) 
6 0.1 0.1 peak 2375 volume 193.02341 ppm1 2.019 ppm2 1.783
 
! ############### C13_CNnoesy_manual.2376 folded -
assi (attr store1 < 7.058 and attr store1 > 6.958 )
     ((attr store1 < 2.014 and attr store1 > 1.954 ) and 
      (bondedto (attr store1 < 128.640083947  and attr store1 > 127.840083947 ) or 
       bondedto (attr store1 < 33.1546386844  and attr store1 > 32.3546386844 ))) 
6 0.1 0.1 peak 2376 volume 23.25868 ppm1 1.984 ppm2 7.008
 
! ############### C13_CNnoesy_manual.2377 folded +
assi (attr store1 < 4.064 and attr store1 > 3.964 )
     ((attr store1 < 4.417 and attr store1 > 4.357 ) and 
      (bondedto (attr store1 < 104.642722631  and attr store1 > 103.842722631 ) or 
       bondedto (attr store1 < 56.9  and attr store1 > 56.1 ) or 
       bondedto (attr store1 < 9.1572773688  and attr store1 > 8.3572773688 ))) 
6 0.1 0.1 peak 2377 volume 12.06859 ppm1 4.387 ppm2 4.014
 
! ############### C13_CNnoesy_manual.2378 folded -
assi (attr store1 < 8.464 and attr store1 > 8.364 )
     ((attr store1 < 2.055 and attr store1 > 1.995 ) and 
      (bondedto (attr store1 < 128.551083947  and attr store1 > 127.751083947 ) or 
       bondedto (attr store1 < 33.0656386844  and attr store1 > 32.2656386844 ))) 
6 0.1 0.1 peak 2378 volume 50.34026 ppm1 2.025 ppm2 8.414
 
! ############### C13_CNnoesy_manual.2379 folded -
assi (attr store1 < 4.201 and attr store1 > 4.101 )
     ((attr store1 < 2.043 and attr store1 > 1.983 ) and 
      (bondedto (attr store1 < 128.509083947  and attr store1 > 127.709083947 ) or 
       bondedto (attr store1 < 33.0236386844  and attr store1 > 32.2236386844 ))) 
6 0.1 0.1 peak 2379 volume 99.8027 ppm1 2.013 ppm2 4.151
 
! ############### C13_CNnoesy_manual.2380 folded -
assi (attr store1 < 3.094 and attr store1 > 2.994 )
     ((attr store1 < 2.042 and attr store1 > 1.982 ) and 
      (bondedto (attr store1 < 128.497083947  and attr store1 > 127.697083947 ) or 
       bondedto (attr store1 < 33.0116386844  and attr store1 > 32.2116386844 ))) 
6 0.1 0.1 peak 2380 volume 15.32588 ppm1 2.012 ppm2 3.044
 
! ############### C13_CNnoesy_manual.2381 folded -
assi (attr store1 < 2.069 and attr store1 > 1.969 )
     ((attr store1 < 1.794 and attr store1 > 1.734 ) and 
      (bondedto (attr store1 < 128.514083947  and attr store1 > 127.714083947 ) or 
       bondedto (attr store1 < 33.0286386844  and attr store1 > 32.2286386844 ))) 
6 0.1 0.1 peak 2381 volume 27.3418 ppm1 1.764 ppm2 2.019
 
! ############### C13_CNnoesy_manual.2382 folded +
assi (attr store1 < 4.446 and attr store1 > 4.346 )
     ((attr store1 < 4.426 and attr store1 > 4.366 ) and 
      (bondedto (attr store1 < 104.499722631  and attr store1 > 103.699722631 ) or 
       bondedto (attr store1 < 56.757  and attr store1 > 55.957 ) or 
       bondedto (attr store1 < 9.0142773688  and attr store1 > 8.2142773688 ))) 
6 0.1 0.1 peak 2382 volume 4984.46875 ppm1 4.396 ppm2 4.396
 
! ############### C13_CNnoesy_manual.2383 folded -
assi (attr store1 < 4.18 and attr store1 > 4.08 )
     ((attr store1 < 2.013 and attr store1 > 1.953 ) and 
      (bondedto (attr store1 < 128.409083947  and attr store1 > 127.609083947 ) or 
       bondedto (attr store1 < 32.9236386844  and attr store1 > 32.1236386844 ))) 
6 0.1 0.1 peak 2383 volume 111.6269 ppm1 1.983 ppm2 4.130
 
! ############### C13_CNnoesy_manual.2384 folded -
assi (attr store1 < 3.793 and attr store1 > 3.693 )
     ((attr store1 < 2.016 and attr store1 > 1.956 ) and 
      (bondedto (attr store1 < 128.378083947  and attr store1 > 127.578083947 ) or 
       bondedto (attr store1 < 32.8926386844  and attr store1 > 32.0926386844 ))) 
6 0.1 0.1 peak 2384 volume 22.9017 ppm1 1.986 ppm2 3.743
 
! ############### C13_CNnoesy_manual.2385 folded -
assi (attr store1 < 1.446 and attr store1 > 1.346 )
     ((attr store1 < 2.018 and attr store1 > 1.958 ) and 
      (bondedto (attr store1 < 128.384083947  and attr store1 > 127.584083947 ) or 
       bondedto (attr store1 < 32.8986386844  and attr store1 > 32.0986386844 ))) 
6 0.1 0.1 peak 2385 volume 18.30042 ppm1 1.988 ppm2 1.396
 
! ############### C13_CNnoesy_manual.2386 folded -
assi (attr store1 < 1.265 and attr store1 > 1.165 )
     ((attr store1 < 2.014 and attr store1 > 1.954 ) and 
      (bondedto (attr store1 < 128.436083947  and attr store1 > 127.636083947 ) or 
       bondedto (attr store1 < 32.9506386844  and attr store1 > 32.1506386844 ))) 
6 0.1 0.1 peak 2386 volume 15.85491 ppm1 1.984 ppm2 1.215
 
! ############### C13_CNnoesy_manual.2387 folded -
assi (attr store1 < 1.089 and attr store1 > 0.989 )
     ((attr store1 < 2.02 and attr store1 > 1.96 ) and 
      (bondedto (attr store1 < 128.418083947  and attr store1 > 127.618083947 ) or 
       bondedto (attr store1 < 32.9326386844  and attr store1 > 32.1326386844 ))) 
6 0.1 0.1 peak 2387 volume 39.06097 ppm1 1.990 ppm2 1.039
 
! ############### C13_CNnoesy_manual.2388 folded -
assi (attr store1 < 4.076 and attr store1 > 3.976 )
     ((attr store1 < 1.861 and attr store1 > 1.801 ) and 
      (bondedto (attr store1 < 128.374083947  and attr store1 > 127.574083947 ) or 
       bondedto (attr store1 < 32.8886386844  and attr store1 > 32.0886386844 ))) 
6 0.1 0.1 peak 2388 volume 29.4537 ppm1 1.831 ppm2 4.026
 
! ############### C13_CNnoesy_manual.2389 folded +
assi (attr store1 < 8.055 and attr store1 > 7.955 )
     ((attr store1 < 4.454 and attr store1 > 4.394 ) and 
      (bondedto (attr store1 < 104.422722631  and attr store1 > 103.622722631 ) or 
       bondedto (attr store1 < 56.68  and attr store1 > 55.88 ) or 
       bondedto (attr store1 < 8.9372773688  and attr store1 > 8.1372773688 ))) 
6 0.1 0.1 peak 2389 volume 61.55024 ppm1 4.424 ppm2 8.005
 
! ############### C13_CNnoesy_manual.2390 folded +
assi (attr store1 < 1.569 and attr store1 > 1.469 )
     ((attr store1 < 4.437 and attr store1 > 4.377 ) and 
      (bondedto (attr store1 < 104.492722631  and attr store1 > 103.692722631 ) or 
       bondedto (attr store1 < 56.75  and attr store1 > 55.95 ) or 
       bondedto (attr store1 < 9.0072773688  and attr store1 > 8.2072773688 ))) 
6 0.1 0.1 peak 2390 volume 32.93488 ppm1 4.407 ppm2 1.519
 
! ############### C13_CNnoesy_manual.2391 folded +
assi (attr store1 < 8.422 and attr store1 > 8.322 )
     ((attr store1 < 4.422 and attr store1 > 4.362 ) and 
      (bondedto (attr store1 < 104.472722631  and attr store1 > 103.672722631 ) or 
       bondedto (attr store1 < 56.73  and attr store1 > 55.93 ) or 
       bondedto (attr store1 < 8.9872773688  and attr store1 > 8.1872773688 ))) 
6 0.1 0.1 peak 2391 volume 24.07681 ppm1 4.392 ppm2 8.372
 
! ############### C13_CNnoesy_manual.2392 folded +
assi (attr store1 < 1.95 and attr store1 > 1.85 )
     ((attr store1 < 4.425 and attr store1 > 4.365 ) and 
      (bondedto (attr store1 < 104.465722631  and attr store1 > 103.665722631 ) or 
       bondedto (attr store1 < 56.723  and attr store1 > 55.923 ) or 
       bondedto (attr store1 < 8.9802773688  and attr store1 > 8.1802773688 ))) 
6 0.1 0.1 peak 2392 volume 116.22346 ppm1 4.395 ppm2 1.900
 
! ############### C13_CNnoesy_manual.2393 folded +
assi (attr store1 < 1.767 and attr store1 > 1.667 )
     ((attr store1 < 4.423 and attr store1 > 4.363 ) and 
      (bondedto (attr store1 < 104.446722631  and attr store1 > 103.646722631 ) or 
       bondedto (attr store1 < 56.704  and attr store1 > 55.904 ) or 
       bondedto (attr store1 < 8.9612773688  and attr store1 > 8.1612773688 ))) 
6 0.1 0.1 peak 2393 volume 49.04289 ppm1 4.393 ppm2 1.717
 
! ############### C13_CNnoesy_manual.2394 folded -
assi (attr store1 < 7.859 and attr store1 > 7.759 )
     ((attr store1 < 2.01 and attr store1 > 1.95 ) and 
      (bondedto (attr store1 < 128.324083947  and attr store1 > 127.524083947 ) or 
       bondedto (attr store1 < 32.8386386844  and attr store1 > 32.0386386844 ))) 
6 0.1 0.1 peak 2394 volume 60.94062 ppm1 1.980 ppm2 7.809
 
! ############### C13_CNnoesy_manual.2395 folded -
assi (attr store1 < 1.826 and attr store1 > 1.726 )
     ((attr store1 < 1.863 and attr store1 > 1.803 ) and 
      (bondedto (attr store1 < 128.359083947  and attr store1 > 127.559083947 ) or 
       bondedto (attr store1 < 32.8736386844  and attr store1 > 32.0736386844 ))) 
6 0.1 0.1 peak 2395 volume 375.87534 ppm1 1.833 ppm2 1.776
 
! ############### C13_CNnoesy_manual.2396 folded -
assi (attr store1 < 1.334 and attr store1 > 1.234 )
     ((attr store1 < 1.861 and attr store1 > 1.801 ) and 
      (bondedto (attr store1 < 128.363083947  and attr store1 > 127.563083947 ) or 
       bondedto (attr store1 < 32.8776386844  and attr store1 > 32.0776386844 ))) 
6 0.1 0.1 peak 2396 volume 35.10003 ppm1 1.831 ppm2 1.284
 
! ############### C13_CNnoesy_manual.2397 folded -
assi (attr store1 < 1.844 and attr store1 > 1.744 )
     ((attr store1 < 1.777 and attr store1 > 1.717 ) and 
      (bondedto (attr store1 < 128.366083947  and attr store1 > 127.566083947 ) or 
       bondedto (attr store1 < 32.8806386844  and attr store1 > 32.0806386844 ))) 
6 0.1 0.1 peak 2397 volume 417.31683 ppm1 1.747 ppm2 1.794
 
! ############### C13_CNnoesy_manual.2398 folded -
assi (attr store1 < 1.346 and attr store1 > 1.246 )
     ((attr store1 < 1.787 and attr store1 > 1.727 ) and 
      (bondedto (attr store1 < 128.367083947  and attr store1 > 127.567083947 ) or 
       bondedto (attr store1 < 32.8816386844  and attr store1 > 32.0816386844 ))) 
6 0.1 0.1 peak 2398 volume 39.67259 ppm1 1.757 ppm2 1.296
 
! ############### C13_CNnoesy_manual.2399 folded +
assi (attr store1 < 4.325 and attr store1 > 4.225 )
     ((attr store1 < 4.567 and attr store1 > 4.507 ) and 
      (bondedto (attr store1 < 104.398722631  and attr store1 > 103.598722631 ) or 
       bondedto (attr store1 < 56.656  and attr store1 > 55.856 ) or 
       bondedto (attr store1 < 8.9132773688  and attr store1 > 8.1132773688 ))) 
6 0.1 0.1 peak 2399 volume 7.03020 ppm1 4.537 ppm2 4.275
 
! ############### C13_CNnoesy_manual.2400 folded +
assi (attr store1 < 2.077 and attr store1 > 1.977 )
     ((attr store1 < 4.565 and attr store1 > 4.505 ) and 
      (bondedto (attr store1 < 104.329722631  and attr store1 > 103.529722631 ) or 
       bondedto (attr store1 < 56.587  and attr store1 > 55.787 ) or 
       bondedto (attr store1 < 8.8442773688  and attr store1 > 8.0442773688 ))) 
6 0.1 0.1 peak 2400 volume 27.72959 ppm1 4.535 ppm2 2.027
 
! ############### C13_CNnoesy_manual.2401 folded +
assi (attr store1 < 3.338 and attr store1 > 3.238 )
     ((attr store1 < 4.422 and attr store1 > 4.362 ) and 
      (bondedto (attr store1 < 104.358722631  and attr store1 > 103.558722631 ) or 
       bondedto (attr store1 < 56.616  and attr store1 > 55.816 ) or 
       bondedto (attr store1 < 8.8732773688  and attr store1 > 8.0732773688 ))) 
6 0.1 0.1 peak 2401 volume 8.73664 ppm1 4.392 ppm2 3.288
 
! ############### C13_CNnoesy_manual.2402 folded +
assi (attr store1 < 8.253 and attr store1 > 8.153 )
     ((attr store1 < 4.204 and attr store1 > 4.144 ) and 
      (bondedto (attr store1 < 104.367722631  and attr store1 > 103.567722631 ) or 
       bondedto (attr store1 < 56.625  and attr store1 > 55.825 ) or 
       bondedto (attr store1 < 8.8822773688  and attr store1 > 8.0822773688 ))) 
6 0.1 0.1 peak 2402 volume 46.76515 ppm1 4.174 ppm2 8.203
 
! ############### C13_CNnoesy_manual.2403 folded +
assi (attr store1 < 7.303 and attr store1 > 7.203 )
     ((attr store1 < 4.201 and attr store1 > 4.141 ) and 
      (bondedto (attr store1 < 104.366722631  and attr store1 > 103.566722631 ) or 
       bondedto (attr store1 < 56.624  and attr store1 > 55.824 ) or 
       bondedto (attr store1 < 8.8812773688  and attr store1 > 8.0812773688 ))) 
6 0.1 0.1 peak 2403 volume 10.09464 ppm1 4.171 ppm2 7.253
 
! ############### C13_CNnoesy_manual.2404 folded +
assi (attr store1 < 7.093 and attr store1 > 6.993 )
     ((attr store1 < 4.202 and attr store1 > 4.142 ) and 
      (bondedto (attr store1 < 104.354722631  and attr store1 > 103.554722631 ) or 
       bondedto (attr store1 < 56.612  and attr store1 > 55.812 ) or 
       bondedto (attr store1 < 8.8692773688  and attr store1 > 8.0692773688 ))) 
6 0.1 0.1 peak 2404 volume 9.85993 ppm1 4.172 ppm2 7.043
 
! ############### C13_CNnoesy_manual.2405 folded +
assi (attr store1 < 4.064 and attr store1 > 3.964 )
     ((attr store1 < 4.199 and attr store1 > 4.139 ) and 
      (bondedto (attr store1 < 104.329722631  and attr store1 > 103.529722631 ) or 
       bondedto (attr store1 < 56.587  and attr store1 > 55.787 ) or 
       bondedto (attr store1 < 8.8442773688  and attr store1 > 8.0442773688 ))) 
6 0.1 0.1 peak 2405 volume 24.69254 ppm1 4.169 ppm2 4.014
 
! ############### C13_CNnoesy_manual.2406 folded +
assi (attr store1 < 3.877 and attr store1 > 3.777 )
     ((attr store1 < 4.205 and attr store1 > 4.145 ) and 
      (bondedto (attr store1 < 104.351722631  and attr store1 > 103.551722631 ) or 
       bondedto (attr store1 < 56.609  and attr store1 > 55.809 ) or 
       bondedto (attr store1 < 8.8662773688  and attr store1 > 8.0662773688 ))) 
6 0.1 0.1 peak 2406 volume 23.41937 ppm1 4.175 ppm2 3.827
 
! ############### C13_CNnoesy_manual.2407 folded +
assi (attr store1 < 3.411 and attr store1 > 3.311 )
     ((attr store1 < 4.208 and attr store1 > 4.148 ) and 
      (bondedto (attr store1 < 104.335722631  and attr store1 > 103.535722631 ) or 
       bondedto (attr store1 < 56.593  and attr store1 > 55.793 ) or 
       bondedto (attr store1 < 8.8502773688  and attr store1 > 8.0502773688 ))) 
6 0.1 0.1 peak 2407 volume 13.44903 ppm1 4.178 ppm2 3.361
 
! ############### C13_CNnoesy_manual.2408 folded +
assi (attr store1 < 2.895 and attr store1 > 2.795 )
     ((attr store1 < 4.206 and attr store1 > 4.146 ) and 
      (bondedto (attr store1 < 104.344722631  and attr store1 > 103.544722631 ) or 
       bondedto (attr store1 < 56.602  and attr store1 > 55.802 ) or 
       bondedto (attr store1 < 8.8592773688  and attr store1 > 8.0592773688 ))) 
6 0.1 0.1 peak 2408 volume 23.02592 ppm1 4.176 ppm2 2.845
 
! ############### C13_CNnoesy_manual.2409 folded +
assi (attr store1 < 1.655 and attr store1 > 1.555 )
     ((attr store1 < 4.21 and attr store1 > 4.15 ) and 
      (bondedto (attr store1 < 104.338722631  and attr store1 > 103.538722631 ) or 
       bondedto (attr store1 < 56.596  and attr store1 > 55.796 ) or 
       bondedto (attr store1 < 8.8532773688  and attr store1 > 8.0532773688 ))) 
6 0.1 0.1 peak 2409 volume 129.91196 ppm1 4.180 ppm2 1.605
 
! ############### C13_CNnoesy_manual.2410 folded -
assi (attr store1 < 2.495 and attr store1 > 2.395 )
     ((attr store1 < 4.595 and attr store1 > 4.535 ) and 
      (bondedto (attr store1 < 128.190083947  and attr store1 > 127.390083947 ) or 
       bondedto (attr store1 < 32.7046386844  and attr store1 > 31.9046386844 ))) 
6 0.1 0.1 peak 2410 volume 103.89857 ppm1 4.565 ppm2 2.445
 
! ############### C13_CNnoesy_manual.2411 folded -
assi (attr store1 < 2.648 and attr store1 > 2.548 )
     ((attr store1 < 2.624 and attr store1 > 2.564 ) and 
      (bondedto (attr store1 < 128.208083947  and attr store1 > 127.408083947 ) or 
       bondedto (attr store1 < 32.7226386844  and attr store1 > 31.9226386844 ))) 
6 0.1 0.1 peak 2411 volume 181.94562 ppm1 2.594 ppm2 2.598
 
! ############### C13_CNnoesy_manual.2412 folded -
assi (attr store1 < 7.364 and attr store1 > 7.264 )
     ((attr store1 < 2.3 and attr store1 > 2.24 ) and 
      (bondedto (attr store1 < 128.199083947  and attr store1 > 127.399083947 ) or 
       bondedto (attr store1 < 32.7136386844  and attr store1 > 31.9136386844 ))) 
6 0.1 0.1 peak 2412 volume 27.49057 ppm1 2.270 ppm2 7.314
 
! ############### C13_CNnoesy_manual.2413 folded -
assi (attr store1 < 7.172 and attr store1 > 7.072 )
     ((attr store1 < 2.302 and attr store1 > 2.242 ) and 
      (bondedto (attr store1 < 128.190083947  and attr store1 > 127.390083947 ) or 
       bondedto (attr store1 < 32.7046386844  and attr store1 > 31.9046386844 ))) 
6 0.1 0.1 peak 2413 volume 54.14114 ppm1 2.272 ppm2 7.122
 
! ############### C13_CNnoesy_manual.2414 folded -
assi (attr store1 < 2.09 and attr store1 > 1.99 )
     ((attr store1 < 2.069 and attr store1 > 2.009 ) and 
      (bondedto (attr store1 < 128.228083947  and attr store1 > 127.428083947 ) or 
       bondedto (attr store1 < 32.7426386844  and attr store1 > 31.9426386844 ))) 
6 0.1 0.1 peak 2414 volume 2400.15161 ppm1 2.039 ppm2 2.040
 
! ############### C13_CNnoesy_manual.2415 folded -
assi (attr store1 < 1.087 and attr store1 > 0.987 )
     ((attr store1 < 2.023 and attr store1 > 1.963 ) and 
      (bondedto (attr store1 < 128.266083947  and attr store1 > 127.466083947 ) or 
       bondedto (attr store1 < 32.7806386844  and attr store1 > 31.9806386844 ))) 
6 0.1 0.1 peak 2415 volume 37.88113 ppm1 1.993 ppm2 1.037
 
! ############### C13_CNnoesy_manual.2416 folded -
assi (attr store1 < 3.792 and attr store1 > 3.692 )
     ((attr store1 < 2.015 and attr store1 > 1.955 ) and 
      (bondedto (attr store1 < 128.228083947  and attr store1 > 127.428083947 ) or 
       bondedto (attr store1 < 32.7426386844  and attr store1 > 31.9426386844 ))) 
6 0.1 0.1 peak 2416 volume 24.6031 ppm1 1.985 ppm2 3.742
 
! ############### C13_CNnoesy_manual.2417 folded -
assi (attr store1 < 1.443 and attr store1 > 1.343 )
     ((attr store1 < 2.007 and attr store1 > 1.947 ) and 
      (bondedto (attr store1 < 128.227083947  and attr store1 > 127.427083947 ) or 
       bondedto (attr store1 < 32.7416386844  and attr store1 > 31.9416386844 ))) 
6 0.1 0.1 peak 2417 volume 18.88081 ppm1 1.977 ppm2 1.393
 
! ############### C13_CNnoesy_manual.2418 folded -
assi (attr store1 < 9.629 and attr store1 > 9.529 )
     ((attr store1 < 1.923 and attr store1 > 1.863 ) and 
      (bondedto (attr store1 < 128.193083947  and attr store1 > 127.393083947 ) or 
       bondedto (attr store1 < 32.7076386844  and attr store1 > 31.9076386844 ))) 
6 0.1 0.1 peak 2418 volume 39.61827 ppm1 1.893 ppm2 9.579
 
! ############### C13_CNnoesy_manual.2419 folded +
assi (attr store1 < 4.618 and attr store1 > 4.518 )
     ((attr store1 < 4.607 and attr store1 > 4.547 ) and 
      (bondedto (attr store1 < 104.245722631  and attr store1 > 103.445722631 ) or 
       bondedto (attr store1 < 56.503  and attr store1 > 55.703 ) or 
       bondedto (attr store1 < 8.7602773688  and attr store1 > 7.9602773688 ))) 
6 0.1 0.1 peak 2419 volume 480.85321 ppm1 4.577 ppm2 4.568
 
! ############### C13_CNnoesy_manual.2420 folded +
assi (attr store1 < 7.729 and attr store1 > 7.629 )
     ((attr store1 < 4.594 and attr store1 > 4.534 ) and 
      (bondedto (attr store1 < 104.250722631  and attr store1 > 103.450722631 ) or 
       bondedto (attr store1 < 56.508  and attr store1 > 55.708 ) or 
       bondedto (attr store1 < 8.7652773688  and attr store1 > 7.9652773688 ))) 
6 0.1 0.1 peak 2420 volume 17.55010 ppm1 4.564 ppm2 7.679
 
! ############### C13_CNnoesy_manual.2421 folded +
assi (attr store1 < 1.402 and attr store1 > 1.302 )
     ((attr store1 < 4.593 and attr store1 > 4.533 ) and 
      (bondedto (attr store1 < 104.284722631  and attr store1 > 103.484722631 ) or 
       bondedto (attr store1 < 56.542  and attr store1 > 55.742 ) or 
       bondedto (attr store1 < 8.7992773688  and attr store1 > 7.9992773688 ))) 
6 0.1 0.1 peak 2421 volume 18.37689 ppm1 4.563 ppm2 1.352
 
! ############### C13_CNnoesy_manual.2422 folded +
assi (attr store1 < 0.843 and attr store1 > 0.743 )
     ((attr store1 < 4.596 and attr store1 > 4.536 ) and 
      (bondedto (attr store1 < 104.222722631  and attr store1 > 103.422722631 ) or 
       bondedto (attr store1 < 56.48  and attr store1 > 55.68 ) or 
       bondedto (attr store1 < 8.7372773688  and attr store1 > 7.9372773688 ))) 
6 0.1 0.1 peak 2422 volume 11.93361 ppm1 4.566 ppm2 0.793
 
! ############### C13_CNnoesy_manual.2423 folded +
assi (attr store1 < 8.466 and attr store1 > 8.366 )
     ((attr store1 < 4.586 and attr store1 > 4.526 ) and 
      (bondedto (attr store1 < 104.248722631  and attr store1 > 103.448722631 ) or 
       bondedto (attr store1 < 56.506  and attr store1 > 55.706 ) or 
       bondedto (attr store1 < 8.7632773688  and attr store1 > 7.9632773688 ))) 
6 0.1 0.1 peak 2423 volume 8.30958 ppm1 4.556 ppm2 8.416
 
! ############### C13_CNnoesy_manual.2424 folded +
assi (attr store1 < 3.269 and attr store1 > 3.169 )
     ((attr store1 < 4.204 and attr store1 > 4.144 ) and 
      (bondedto (attr store1 < 104.309722631  and attr store1 > 103.509722631 ) or 
       bondedto (attr store1 < 56.567  and attr store1 > 55.767 ) or 
       bondedto (attr store1 < 8.8242773688  and attr store1 > 8.0242773688 ))) 
6 0.1 0.1 peak 2424 volume 15.75939 ppm1 4.174 ppm2 3.219
 
! ############### C13_CNnoesy_manual.2425 folded +
assi (attr store1 < 1.16 and attr store1 > 1.06 )
     ((attr store1 < 4.204 and attr store1 > 4.144 ) and 
      (bondedto (attr store1 < 104.302722631  and attr store1 > 103.502722631 ) or 
       bondedto (attr store1 < 56.56  and attr store1 > 55.76 ) or 
       bondedto (attr store1 < 8.8172773688  and attr store1 > 8.0172773688 ))) 
6 0.1 0.1 peak 2425 volume 18.31645 ppm1 4.174 ppm2 1.110
 
! ############### C13_CNnoesy_manual.2426 folded +
assi (attr store1 < 1.105 and attr store1 > 1.005 )
     ((attr store1 < 4.202 and attr store1 > 4.142 ) and 
      (bondedto (attr store1 < 104.303722631  and attr store1 > 103.503722631 ) or 
       bondedto (attr store1 < 56.561  and attr store1 > 55.761 ) or 
       bondedto (attr store1 < 8.8182773688  and attr store1 > 8.0182773688 ))) 
6 0.1 0.1 peak 2426 volume 14.07231 ppm1 4.172 ppm2 1.055
 
! ############### C13_CNnoesy_manual.2427 folded +
assi (attr store1 < 8.711 and attr store1 > 8.611 )
     ((attr store1 < 3.865 and attr store1 > 3.805 ) and 
      (bondedto (attr store1 < 104.259722631  and attr store1 > 103.459722631 ) or 
       bondedto (attr store1 < 56.517  and attr store1 > 55.717 ) or 
       bondedto (attr store1 < 8.7742773688  and attr store1 > 7.9742773688 ))) 
6 0.1 0.1 peak 2427 volume 28.14819 ppm1 3.835 ppm2 8.661
 
! ############### C13_CNnoesy_manual.2428 folded +
assi (attr store1 < 8.479 and attr store1 > 8.379 )
     ((attr store1 < 3.864 and attr store1 > 3.804 ) and 
      (bondedto (attr store1 < 104.247722631  and attr store1 > 103.447722631 ) or 
       bondedto (attr store1 < 56.505  and attr store1 > 55.705 ) or 
       bondedto (attr store1 < 8.7622773688  and attr store1 > 7.9622773688 ))) 
6 0.1 0.1 peak 2428 volume 16.26131 ppm1 3.834 ppm2 8.429
 
! ############### C13_CNnoesy_manual.2429 folded +
assi (attr store1 < 3.884 and attr store1 > 3.784 )
     ((attr store1 < 3.863 and attr store1 > 3.803 ) and 
      (bondedto (attr store1 < 104.218722631  and attr store1 > 103.418722631 ) or 
       bondedto (attr store1 < 56.476  and attr store1 > 55.676 ) or 
       bondedto (attr store1 < 8.7332773688  and attr store1 > 7.9332773688 ))) 
6 0.1 0.1 peak 2429 volume 498.96136 ppm1 3.833 ppm2 3.834
 
! ############### C13_CNnoesy_manual.2430 folded +
assi (attr store1 < 2.142 and attr store1 > 2.042 )
     ((attr store1 < 3.864 and attr store1 > 3.804 ) and 
      (bondedto (attr store1 < 104.262722631  and attr store1 > 103.462722631 ) or 
       bondedto (attr store1 < 56.52  and attr store1 > 55.72 ) or 
       bondedto (attr store1 < 8.7772773688  and attr store1 > 7.9772773688 ))) 
6 0.1 0.1 peak 2430 volume 48.08039 ppm1 3.834 ppm2 2.092
 
! ############### C13_CNnoesy_manual.2431 folded +
assi (attr store1 < 1.974 and attr store1 > 1.874 )
     ((attr store1 < 3.87 and attr store1 > 3.81 ) and 
      (bondedto (attr store1 < 104.291722631  and attr store1 > 103.491722631 ) or 
       bondedto (attr store1 < 56.549  and attr store1 > 55.749 ) or 
       bondedto (attr store1 < 8.8062773688  and attr store1 > 8.0062773688 ))) 
6 0.1 0.1 peak 2431 volume 13.92843 ppm1 3.840 ppm2 1.924
 
! ############### C13_CNnoesy_manual.2432 folded +
assi (attr store1 < 1.419 and attr store1 > 1.319 )
     ((attr store1 < 3.863 and attr store1 > 3.803 ) and 
      (bondedto (attr store1 < 104.263722631  and attr store1 > 103.463722631 ) or 
       bondedto (attr store1 < 56.521  and attr store1 > 55.721 ) or 
       bondedto (attr store1 < 8.7782773688  and attr store1 > 7.9782773688 ))) 
6 0.1 0.1 peak 2432 volume 121.90436 ppm1 3.833 ppm2 1.369
 
! ############### C13_CNnoesy_manual.2433 folded +
assi (attr store1 < 0.869 and attr store1 > 0.769 )
     ((attr store1 < 3.864 and attr store1 > 3.804 ) and 
      (bondedto (attr store1 < 104.260722631  and attr store1 > 103.460722631 ) or 
       bondedto (attr store1 < 56.518  and attr store1 > 55.718 ) or 
       bondedto (attr store1 < 8.7752773688  and attr store1 > 7.9752773688 ))) 
6 0.1 0.1 peak 2433 volume 74.71732 ppm1 3.834 ppm2 0.819
 
! ############### C13_CNnoesy_manual.2434 folded -
assi (attr store1 < 2.094 and attr store1 > 1.994 )
     ((attr store1 < 4.596 and attr store1 > 4.536 ) and 
      (bondedto (attr store1 < 128.179083947  and attr store1 > 127.379083947 ) or 
       bondedto (attr store1 < 32.6936386844  and attr store1 > 31.8936386844 ))) 
6 0.1 0.1 peak 2434 volume 35.8504 ppm1 4.566 ppm2 2.044
 
! ############### C13_CNnoesy_manual.2435 folded -
assi (attr store1 < 2.595 and attr store1 > 2.495 )
     ((attr store1 < 2.652 and attr store1 > 2.592 ) and 
      (bondedto (attr store1 < 128.165083947  and attr store1 > 127.365083947 ) or 
       bondedto (attr store1 < 32.6796386844  and attr store1 > 31.8796386844 ))) 
6 0.1 0.1 peak 2435 volume 236.15254 ppm1 2.622 ppm2 2.545
 
! ############### C13_CNnoesy_manual.2436 folded -
assi (attr store1 < 2.518 and attr store1 > 2.418 )
     ((attr store1 < 2.64 and attr store1 > 2.58 ) and 
      (bondedto (attr store1 < 128.139083947  and attr store1 > 127.339083947 ) or 
       bondedto (attr store1 < 32.6536386844  and attr store1 > 31.8536386844 ))) 
6 0.1 0.1 peak 2436 volume 130.02559 ppm1 2.610 ppm2 2.468
 
! ############### C13_CNnoesy_manual.2437 folded -
assi (attr store1 < 2.436 and attr store1 > 2.336 )
     ((attr store1 < 2.625 and attr store1 > 2.565 ) and 
      (bondedto (attr store1 < 128.172083947  and attr store1 > 127.372083947 ) or 
       bondedto (attr store1 < 32.6866386844  and attr store1 > 31.8866386844 ))) 
6 0.1 0.1 peak 2437 volume 132.09314 ppm1 2.595 ppm2 2.386
 
! ############### C13_CNnoesy_manual.2438 folded -
assi (attr store1 < 2.195 and attr store1 > 2.095 )
     ((attr store1 < 2.628 and attr store1 > 2.568 ) and 
      (bondedto (attr store1 < 128.145083947  and attr store1 > 127.345083947 ) or 
       bondedto (attr store1 < 32.6596386844  and attr store1 > 31.8596386844 ))) 
6 0.1 0.1 peak 2438 volume 44.11548 ppm1 2.598 ppm2 2.145
 
! ############### C13_CNnoesy_manual.2439 folded -
assi (attr store1 < 1.978 and attr store1 > 1.878 )
     ((attr store1 < 2.622 and attr store1 > 2.562 ) and 
      (bondedto (attr store1 < 128.098083947  and attr store1 > 127.298083947 ) or 
       bondedto (attr store1 < 32.6126386844  and attr store1 > 31.8126386844 ))) 
6 0.1 0.1 peak 2439 volume 33.75864 ppm1 2.592 ppm2 1.928
 
! ############### C13_CNnoesy_manual.2440 folded -
assi (attr store1 < 1.574 and attr store1 > 1.474 )
     ((attr store1 < 2.627 and attr store1 > 2.567 ) and 
      (bondedto (attr store1 < 128.177083947  and attr store1 > 127.377083947 ) or 
       bondedto (attr store1 < 32.6916386844  and attr store1 > 31.8916386844 ))) 
6 0.1 0.1 peak 2440 volume 26.34547 ppm1 2.597 ppm2 1.524
 
! ############### C13_CNnoesy_manual.2441 folded -
assi (attr store1 < 1.376 and attr store1 > 1.276 )
     ((attr store1 < 2.625 and attr store1 > 2.565 ) and 
      (bondedto (attr store1 < 128.150083947  and attr store1 > 127.350083947 ) or 
       bondedto (attr store1 < 32.6646386844  and attr store1 > 31.8646386844 ))) 
6 0.1 0.1 peak 2441 volume 16.60011 ppm1 2.595 ppm2 1.326
 
! ############### C13_CNnoesy_manual.2442 folded -
assi (attr store1 < 0.823 and attr store1 > 0.723 )
     ((attr store1 < 2.626 and attr store1 > 2.566 ) and 
      (bondedto (attr store1 < 128.158083947  and attr store1 > 127.358083947 ) or 
       bondedto (attr store1 < 32.6726386844  and attr store1 > 31.8726386844 ))) 
6 0.1 0.1 peak 2442 volume 21.93921 ppm1 2.596 ppm2 0.773
 
! ############### C13_CNnoesy_manual.2443 folded -
assi (attr store1 < 2.593 and attr store1 > 2.493 )
     ((attr store1 < 2.615 and attr store1 > 2.555 ) and 
      (bondedto (attr store1 < 128.161083947  and attr store1 > 127.361083947 ) or 
       bondedto (attr store1 < 32.6756386844  and attr store1 > 31.8756386844 ))) 
6 0.1 0.1 peak 2443 volume 390.52716 ppm1 2.585 ppm2 2.543
 
! ############### C13_CNnoesy_manual.2444 folded -
assi (attr store1 < 2.49 and attr store1 > 2.39 )
     ((attr store1 < 2.479 and attr store1 > 2.419 ) and 
      (bondedto (attr store1 < 128.169083947  and attr store1 > 127.369083947 ) or 
       bondedto (attr store1 < 32.6836386844  and attr store1 > 31.8836386844 ))) 
6 0.1 0.1 peak 2444 volume 2237.3313 ppm1 2.449 ppm2 2.440
 
! ############### C13_CNnoesy_manual.2445 folded -
assi (attr store1 < 2.117 and attr store1 > 2.017 )
     ((attr store1 < 2.463 and attr store1 > 2.403 ) and 
      (bondedto (attr store1 < 128.138083947  and attr store1 > 127.338083947 ) or 
       bondedto (attr store1 < 32.6526386844  and attr store1 > 31.8526386844 ))) 
6 0.1 0.1 peak 2445 volume 229.27782 ppm1 2.433 ppm2 2.067
 
! ############### C13_CNnoesy_manual.2446 folded -
assi (attr store1 < 2.648 and attr store1 > 2.548 )
     ((attr store1 < 2.418 and attr store1 > 2.358 ) and 
      (bondedto (attr store1 < 128.169083947  and attr store1 > 127.369083947 ) or 
       bondedto (attr store1 < 32.6836386844  and attr store1 > 31.8836386844 ))) 
6 0.1 0.1 peak 2446 volume 149.91991 ppm1 2.388 ppm2 2.598
 
! ############### C13_CNnoesy_manual.2447 folded -
assi (attr store1 < 1.573 and attr store1 > 1.473 )
     ((attr store1 < 2.414 and attr store1 > 2.354 ) and 
      (bondedto (attr store1 < 128.168083947  and attr store1 > 127.368083947 ) or 
       bondedto (attr store1 < 32.6826386844  and attr store1 > 31.8826386844 ))) 
6 0.1 0.1 peak 2447 volume 22.00914 ppm1 2.384 ppm2 1.523
 
! ############### C13_CNnoesy_manual.2448 folded -
assi (attr store1 < 1.394 and attr store1 > 1.294 )
     ((attr store1 < 2.417 and attr store1 > 2.357 ) and 
      (bondedto (attr store1 < 128.145083947  and attr store1 > 127.345083947 ) or 
       bondedto (attr store1 < 32.6596386844  and attr store1 > 31.8596386844 ))) 
6 0.1 0.1 peak 2448 volume 15.66239 ppm1 2.387 ppm2 1.344
 
! ############### C13_CNnoesy_manual.2449 folded -
assi (attr store1 < 0.844 and attr store1 > 0.744 )
     ((attr store1 < 2.415 and attr store1 > 2.355 ) and 
      (bondedto (attr store1 < 128.162083947  and attr store1 > 127.362083947 ) or 
       bondedto (attr store1 < 32.6766386844  and attr store1 > 31.8766386844 ))) 
6 0.1 0.1 peak 2449 volume 30.99994 ppm1 2.385 ppm2 0.794
 
! ############### C13_CNnoesy_manual.2450 folded -
assi (attr store1 < 4.367 and attr store1 > 4.267 )
     ((attr store1 < 2.303 and attr store1 > 2.243 ) and 
      (bondedto (attr store1 < 128.156083947  and attr store1 > 127.356083947 ) or 
       bondedto (attr store1 < 32.6706386844  and attr store1 > 31.8706386844 ))) 
6 0.1 0.1 peak 2450 volume 18.34176 ppm1 2.273 ppm2 4.317
 
! ############### C13_CNnoesy_manual.2451 folded -
assi (attr store1 < 3.777 and attr store1 > 3.677 )
     ((attr store1 < 2.3 and attr store1 > 2.24 ) and 
      (bondedto (attr store1 < 128.181083947  and attr store1 > 127.381083947 ) or 
       bondedto (attr store1 < 32.6956386844  and attr store1 > 31.8956386844 ))) 
6 0.1 0.1 peak 2451 volume 25.11943 ppm1 2.270 ppm2 3.727
 
! ############### C13_CNnoesy_manual.2452 folded -
assi (attr store1 < 1.831 and attr store1 > 1.731 )
     ((attr store1 < 2.298 and attr store1 > 2.238 ) and 
      (bondedto (attr store1 < 128.171083947  and attr store1 > 127.371083947 ) or 
       bondedto (attr store1 < 32.6856386844  and attr store1 > 31.8856386844 ))) 
6 0.1 0.1 peak 2452 volume 18.55921 ppm1 2.268 ppm2 1.781
 
! ############### C13_CNnoesy_manual.2453 folded -
assi (attr store1 < 1.289 and attr store1 > 1.189 )
     ((attr store1 < 2.301 and attr store1 > 2.241 ) and 
      (bondedto (attr store1 < 128.180083947  and attr store1 > 127.380083947 ) or 
       bondedto (attr store1 < 32.6946386844  and attr store1 > 31.8946386844 ))) 
6 0.1 0.1 peak 2453 volume 80.0648 ppm1 2.271 ppm2 1.239
 
! ############### C13_CNnoesy_manual.2454 folded -
assi (attr store1 < 8.744 and attr store1 > 8.644 )
     ((attr store1 < 2.028 and attr store1 > 1.968 ) and 
      (bondedto (attr store1 < 128.141083947  and attr store1 > 127.341083947 ) or 
       bondedto (attr store1 < 32.6556386844  and attr store1 > 31.8556386844 ))) 
6 0.1 0.1 peak 2454 volume 20.68763 ppm1 1.998 ppm2 8.694
 
! ############### C13_CNnoesy_manual.2455 folded -
assi (attr store1 < 3.519 and attr store1 > 3.419 )
     ((attr store1 < 2.026 and attr store1 > 1.966 ) and 
      (bondedto (attr store1 < 128.118083947  and attr store1 > 127.318083947 ) or 
       bondedto (attr store1 < 32.6326386844  and attr store1 > 31.8326386844 ))) 
6 0.1 0.1 peak 2455 volume 17.99529 ppm1 1.996 ppm2 3.469
 
! ############### C13_CNnoesy_manual.2456 folded -
assi (attr store1 < 0.948 and attr store1 > 0.848 )
     ((attr store1 < 2.025 and attr store1 > 1.965 ) and 
      (bondedto (attr store1 < 128.134083947  and attr store1 > 127.334083947 ) or 
       bondedto (attr store1 < 32.6486386844  and attr store1 > 31.8486386844 ))) 
6 0.1 0.1 peak 2456 volume 130.12694 ppm1 1.995 ppm2 0.898
 
! ############### C13_CNnoesy_manual.2457 folded -
assi (attr store1 < 0.947 and attr store1 > 0.847 )
     ((attr store1 < 1.923 and attr store1 > 1.863 ) and 
      (bondedto (attr store1 < 128.179083947  and attr store1 > 127.379083947 ) or 
       bondedto (attr store1 < 32.6936386844  and attr store1 > 31.8936386844 ))) 
6 0.1 0.1 peak 2457 volume 122.15987 ppm1 1.893 ppm2 0.897
 
! ############### C13_CNnoesy_manual.2458 folded -
assi (attr store1 < 1.924 and attr store1 > 1.824 )
     ((attr store1 < 1.914 and attr store1 > 1.854 ) and 
      (bondedto (attr store1 < 128.169083947  and attr store1 > 127.369083947 ) or 
       bondedto (attr store1 < 32.6836386844  and attr store1 > 31.8836386844 ))) 
6 0.1 0.1 peak 2458 volume 363.36206 ppm1 1.884 ppm2 1.874
 
! ############### C13_CNnoesy_manual.2459 folded -
assi (attr store1 < 8.753 and attr store1 > 8.653 )
     ((attr store1 < 0.932 and attr store1 > 0.872 ) and 
      (bondedto (attr store1 < 128.127083947  and attr store1 > 127.327083947 ) or 
       bondedto (attr store1 < 32.6416386844  and attr store1 > 31.8416386844 ))) 
6 0.1 0.1 peak 2459 volume 14.32692 ppm1 0.902 ppm2 8.703
 
! ############### C13_CNnoesy_manual.2460 folded -
assi (attr store1 < 3.837 and attr store1 > 3.737 )
     ((attr store1 < 0.935 and attr store1 > 0.875 ) and 
      (bondedto (attr store1 < 128.103083947  and attr store1 > 127.303083947 ) or 
       bondedto (attr store1 < 32.6176386844  and attr store1 > 31.8176386844 ))) 
6 0.1 0.1 peak 2460 volume 6.86347 ppm1 0.905 ppm2 3.787
 
! ############### C13_CNnoesy_manual.2461 folded -
assi (attr store1 < 3.529 and attr store1 > 3.429 )
     ((attr store1 < 0.932 and attr store1 > 0.872 ) and 
      (bondedto (attr store1 < 128.127083947  and attr store1 > 127.327083947 ) or 
       bondedto (attr store1 < 32.6416386844  and attr store1 > 31.8416386844 ))) 
6 0.1 0.1 peak 2461 volume 16.68084 ppm1 0.902 ppm2 3.479
 
! ############### C13_CNnoesy_manual.2462 folded -
assi (attr store1 < 2.05 and attr store1 > 1.95 )
     ((attr store1 < 0.931 and attr store1 > 0.871 ) and 
      (bondedto (attr store1 < 128.115083947  and attr store1 > 127.315083947 ) or 
       bondedto (attr store1 < 32.6296386844  and attr store1 > 31.8296386844 ))) 
6 0.1 0.1 peak 2462 volume 81.92506 ppm1 0.901 ppm2 2.000
 
! ############### C13_CNnoesy_manual.2463 folded -
assi (attr store1 < 4.255 and attr store1 > 4.155 )
     ((attr store1 < 0.923 and attr store1 > 0.863 ) and 
      (bondedto (attr store1 < 128.094083947  and attr store1 > 127.294083947 ) or 
       bondedto (attr store1 < 32.6086386844  and attr store1 > 31.8086386844 ))) 
6 0.1 0.1 peak 2463 volume 9.53306 ppm1 0.893 ppm2 4.205
 
! ############### C13_CNnoesy_manual.2464 folded -
assi (attr store1 < 1.97 and attr store1 > 1.87 )
     ((attr store1 < 0.922 and attr store1 > 0.862 ) and 
      (bondedto (attr store1 < 128.152083947  and attr store1 > 127.352083947 ) or 
       bondedto (attr store1 < 32.6666386844  and attr store1 > 31.8666386844 ))) 
6 0.1 0.1 peak 2464 volume 79.02729 ppm1 0.892 ppm2 1.920
 
! ############### C13_CNnoesy_manual.2465 folded +
assi (attr store1 < 8.71 and attr store1 > 8.61 )
     ((attr store1 < 4.596 and attr store1 > 4.536 ) and 
      (bondedto (attr store1 < 104.199722631  and attr store1 > 103.399722631 ) or 
       bondedto (attr store1 < 56.457  and attr store1 > 55.657 ) or 
       bondedto (attr store1 < 8.7142773688  and attr store1 > 7.9142773688 ))) 
6 0.1 0.1 peak 2465 volume 10.49787 ppm1 4.566 ppm2 8.660
 
! ############### C13_CNnoesy_manual.2466 folded +
assi (attr store1 < 8.058 and attr store1 > 7.958 )
     ((attr store1 < 4.593 and attr store1 > 4.533 ) and 
      (bondedto (attr store1 < 104.192722631  and attr store1 > 103.392722631 ) or 
       bondedto (attr store1 < 56.45  and attr store1 > 55.65 ) or 
       bondedto (attr store1 < 8.7072773688  and attr store1 > 7.9072773688 ))) 
6 0.1 0.1 peak 2466 volume 14.82311 ppm1 4.563 ppm2 8.008
 
! ############### C13_CNnoesy_manual.2467 folded +
assi (attr store1 < 1.622 and attr store1 > 1.522 )
     ((attr store1 < 4.6 and attr store1 > 4.54 ) and 
      (bondedto (attr store1 < 104.197722631  and attr store1 > 103.397722631 ) or 
       bondedto (attr store1 < 56.455  and attr store1 > 55.655 ) or 
       bondedto (attr store1 < 8.7122773688  and attr store1 > 7.9122773688 ))) 
6 0.1 0.1 peak 2467 volume 7.04136 ppm1 4.570 ppm2 1.572
 
! ############### C13_CNnoesy_manual.2468 folded +
assi (attr store1 < 0.891 and attr store1 > 0.791 )
     ((attr store1 < 4.596 and attr store1 > 4.536 ) and 
      (bondedto (attr store1 < 104.198722631  and attr store1 > 103.398722631 ) or 
       bondedto (attr store1 < 56.456  and attr store1 > 55.656 ) or 
       bondedto (attr store1 < 8.7132773688  and attr store1 > 7.9132773688 ))) 
6 0.1 0.1 peak 2468 volume 9.87147 ppm1 4.566 ppm2 0.841
 
! ############### C13_CNnoesy_manual.2469 folded +
assi (attr store1 < 8.173 and attr store1 > 8.073 )
     ((attr store1 < 3.854 and attr store1 > 3.794 ) and 
      (bondedto (attr store1 < 104.191722631  and attr store1 > 103.391722631 ) or 
       bondedto (attr store1 < 56.449  and attr store1 > 55.649 ) or 
       bondedto (attr store1 < 8.7062773688  and attr store1 > 7.9062773688 ))) 
6 0.1 0.1 peak 2469 volume 11.28167 ppm1 3.824 ppm2 8.123
 
! ############### C13_CNnoesy_manual.2470 folded -
assi (attr store1 < 2.339 and attr store1 > 2.239 )
     ((attr store1 < 2.315 and attr store1 > 2.255 ) and 
      (bondedto (attr store1 < 127.997083947  and attr store1 > 127.197083947 ) or 
       bondedto (attr store1 < 32.5116386844  and attr store1 > 31.7116386844 ))) 
6 0.1 0.1 peak 2470 volume 859.3811 ppm1 2.285 ppm2 2.289
 
! ############### C13_CNnoesy_manual.2471 folded -
assi (attr store1 < 1.104 and attr store1 > 1.004 )
     ((attr store1 < 2.314 and attr store1 > 2.254 ) and 
      (bondedto (attr store1 < 128.023083947  and attr store1 > 127.223083947 ) or 
       bondedto (attr store1 < 32.5376386844  and attr store1 > 31.7376386844 ))) 
6 0.1 0.1 peak 2471 volume 122.92108 ppm1 2.284 ppm2 1.054
 
! ############### C13_CNnoesy_manual.2472 folded -
assi (attr store1 < 1.566 and attr store1 > 1.466 )
     ((attr store1 < 0.933 and attr store1 > 0.873 ) and 
      (bondedto (attr store1 < 128.070083947  and attr store1 > 127.270083947 ) or 
       bondedto (attr store1 < 32.5846386844  and attr store1 > 31.7846386844 ))) 
6 0.1 0.1 peak 2472 volume 15.04883 ppm1 0.903 ppm2 1.516
 
! ############### C13_CNnoesy_manual.2473 folded +
assi (attr store1 < 8.74 and attr store1 > 8.64 )
     ((attr store1 < 4.237 and attr store1 > 4.177 ) and 
      (bondedto (attr store1 < 104.033722631  and attr store1 > 103.233722631 ) or 
       bondedto (attr store1 < 56.291  and attr store1 > 55.491 ) or 
       bondedto (attr store1 < 8.5482773688  and attr store1 > 7.7482773688 ))) 
6 0.1 0.1 peak 2473 volume 14.38593 ppm1 4.207 ppm2 8.690
 
! ############### C13_CNnoesy_manual.2474 folded +
assi (attr store1 < 8.392 and attr store1 > 8.292 )
     ((attr store1 < 4.242 and attr store1 > 4.182 ) and 
      (bondedto (attr store1 < 104.067722631  and attr store1 > 103.267722631 ) or 
       bondedto (attr store1 < 56.325  and attr store1 > 55.525 ) or 
       bondedto (attr store1 < 8.5822773688  and attr store1 > 7.7822773688 ))) 
6 0.1 0.1 peak 2474 volume 25.04730 ppm1 4.212 ppm2 8.342
 
! ############### C13_CNnoesy_manual.2475 folded +
assi (attr store1 < 2.134 and attr store1 > 2.034 )
     ((attr store1 < 4.242 and attr store1 > 4.182 ) and 
      (bondedto (attr store1 < 104.047722631  and attr store1 > 103.247722631 ) or 
       bondedto (attr store1 < 56.305  and attr store1 > 55.505 ) or 
       bondedto (attr store1 < 8.5622773688  and attr store1 > 7.7622773688 ))) 
6 0.1 0.1 peak 2475 volume 57.73006 ppm1 4.212 ppm2 2.084
 
! ############### C13_CNnoesy_manual.2476 folded +
assi (attr store1 < 1.715 and attr store1 > 1.615 )
     ((attr store1 < 4.242 and attr store1 > 4.182 ) and 
      (bondedto (attr store1 < 104.059722631  and attr store1 > 103.259722631 ) or 
       bondedto (attr store1 < 56.317  and attr store1 > 55.517 ) or 
       bondedto (attr store1 < 8.5742773688  and attr store1 > 7.7742773688 ))) 
6 0.1 0.1 peak 2476 volume 127.51397 ppm1 4.212 ppm2 1.665
 
! ############### C13_CNnoesy_manual.2477 folded +
assi (attr store1 < 0.96 and attr store1 > 0.86 )
     ((attr store1 < 4.242 and attr store1 > 4.182 ) and 
      (bondedto (attr store1 < 104.048722631  and attr store1 > 103.248722631 ) or 
       bondedto (attr store1 < 56.306  and attr store1 > 55.506 ) or 
       bondedto (attr store1 < 8.5632773688  and attr store1 > 7.7632773688 ))) 
6 0.1 0.1 peak 2477 volume 63.17255 ppm1 4.212 ppm2 0.910
 
! ############### C13_CNnoesy_manual.2478 folded -
assi (attr store1 < 3.51 and attr store1 > 3.41 )
     ((attr store1 < 7.487 and attr store1 > 7.427 ) and 
      (bondedto (attr store1 < 127.943083947  and attr store1 > 127.143083947 ) or 
       bondedto (attr store1 < 32.4576386844  and attr store1 > 31.6576386844 ))) 
6 0.1 0.1 peak 2478 volume 33.18951 ppm1 7.457 ppm2 3.460
 
! ############### C13_CNnoesy_manual.2479 folded -
assi (attr store1 < 9.62 and attr store1 > 9.52 )
     ((attr store1 < 2.551 and attr store1 > 2.491 ) and 
      (bondedto (attr store1 < 127.944083947  and attr store1 > 127.144083947 ) or 
       bondedto (attr store1 < 32.4586386844  and attr store1 > 31.6586386844 ))) 
6 0.1 0.1 peak 2479 volume 12.46091 ppm1 2.521 ppm2 9.570
 
! ############### C13_CNnoesy_manual.2480 folded -
assi (attr store1 < 8.227 and attr store1 > 8.127 )
     ((attr store1 < 2.551 and attr store1 > 2.491 ) and 
      (bondedto (attr store1 < 127.946083947  and attr store1 > 127.146083947 ) or 
       bondedto (attr store1 < 32.4606386844  and attr store1 > 31.6606386844 ))) 
6 0.1 0.1 peak 2480 volume 10.64575 ppm1 2.521 ppm2 8.177
 
! ############### C13_CNnoesy_manual.2481 folded -
assi (attr store1 < 1.976 and attr store1 > 1.876 )
     ((attr store1 < 2.547 and attr store1 > 2.487 ) and 
      (bondedto (attr store1 < 127.911083947  and attr store1 > 127.111083947 ) or 
       bondedto (attr store1 < 32.4256386844  and attr store1 > 31.6256386844 ))) 
6 0.1 0.1 peak 2481 volume 168.28995 ppm1 2.517 ppm2 1.926
 
! ############### C13_CNnoesy_manual.2482 folded -
assi (attr store1 < 1.292 and attr store1 > 1.192 )
     ((attr store1 < 2.544 and attr store1 > 2.484 ) and 
      (bondedto (attr store1 < 127.935083947  and attr store1 > 127.135083947 ) or 
       bondedto (attr store1 < 32.4496386844  and attr store1 > 31.6496386844 ))) 
6 0.1 0.1 peak 2482 volume 10.54844 ppm1 2.514 ppm2 1.242
 
! ############### C13_CNnoesy_manual.2483 folded -
assi (attr store1 < 2.303 and attr store1 > 2.203 )
     ((attr store1 < 2.54 and attr store1 > 2.48 ) and 
      (bondedto (attr store1 < 127.923083947  and attr store1 > 127.123083947 ) or 
       bondedto (attr store1 < 32.4376386844  and attr store1 > 31.6376386844 ))) 
6 0.1 0.1 peak 2483 volume 143.29753 ppm1 2.510 ppm2 2.253
 
! ############### C13_CNnoesy_manual.2484 folded -
assi (attr store1 < 2.557 and attr store1 > 2.457 )
     ((attr store1 < 2.521 and attr store1 > 2.461 ) and 
      (bondedto (attr store1 < 127.924083947  and attr store1 > 127.124083947 ) or 
       bondedto (attr store1 < 32.4386386844  and attr store1 > 31.6386386844 ))) 
6 0.1 0.1 peak 2484 volume 470.01126 ppm1 2.491 ppm2 2.507
 
! ############### C13_CNnoesy_manual.2485 folded -
assi (attr store1 < 4.707 and attr store1 > 4.607 )
     ((attr store1 < 1.958 and attr store1 > 1.898 ) and 
      (bondedto (attr store1 < 127.919083947  and attr store1 > 127.119083947 ) or 
       bondedto (attr store1 < 32.4336386844  and attr store1 > 31.6336386844 ))) 
6 0.1 0.1 peak 2485 volume 28.34352 ppm1 1.928 ppm2 4.657
 
! ############### C13_CNnoesy_manual.2486 folded -
assi (attr store1 < 3.712 and attr store1 > 3.612 )
     ((attr store1 < 1.96 and attr store1 > 1.9 ) and 
      (bondedto (attr store1 < 127.943083947  and attr store1 > 127.143083947 ) or 
       bondedto (attr store1 < 32.4576386844  and attr store1 > 31.6576386844 ))) 
6 0.1 0.1 peak 2486 volume 19.31627 ppm1 1.930 ppm2 3.662
 
! ############### C13_CNnoesy_manual.2487 folded -
assi (attr store1 < 2.32 and attr store1 > 2.22 )
     ((attr store1 < 1.958 and attr store1 > 1.898 ) and 
      (bondedto (attr store1 < 127.927083947  and attr store1 > 127.127083947 ) or 
       bondedto (attr store1 < 32.4416386844  and attr store1 > 31.6416386844 ))) 
6 0.1 0.1 peak 2487 volume 87.686 ppm1 1.928 ppm2 2.270
 
! ############### C13_CNnoesy_manual.2488 folded -
assi (attr store1 < 2.566 and attr store1 > 2.466 )
     ((attr store1 < 1.956 and attr store1 > 1.896 ) and 
      (bondedto (attr store1 < 127.916083947  and attr store1 > 127.116083947 ) or 
       bondedto (attr store1 < 32.4306386844  and attr store1 > 31.6306386844 ))) 
6 0.1 0.1 peak 2488 volume 152.73213 ppm1 1.926 ppm2 2.516
 
! ############### C13_CNnoesy_manual.2489 folded -
assi (attr store1 < 3.679 and attr store1 > 3.579 )
     ((attr store1 < 2.546 and attr store1 > 2.486 ) and 
      (bondedto (attr store1 < 127.895083947  and attr store1 > 127.095083947 ) or 
       bondedto (attr store1 < 32.4096386844  and attr store1 > 31.6096386844 ))) 
6 0.1 0.1 peak 2489 volume 14.14703 ppm1 2.516 ppm2 3.629
 
! ############### C13_CNnoesy_manual.2490 folded -
assi (attr store1 < 4.235 and attr store1 > 4.135 )
     ((attr store1 < 2.336 and attr store1 > 2.276 ) and 
      (bondedto (attr store1 < 127.875083947  and attr store1 > 127.075083947 ) or 
       bondedto (attr store1 < 32.3896386844  and attr store1 > 31.5896386844 ))) 
6 0.1 0.1 peak 2490 volume 24.9389 ppm1 2.306 ppm2 4.185
 
! ############### C13_CNnoesy_manual.2491 folded -
assi (attr store1 < 8.364 and attr store1 > 8.264 )
     ((attr store1 < 2.33 and attr store1 > 2.27 ) and 
      (bondedto (attr store1 < 127.847083947  and attr store1 > 127.047083947 ) or 
       bondedto (attr store1 < 32.3616386844  and attr store1 > 31.5616386844 ))) 
6 0.1 0.1 peak 2491 volume 23.5683 ppm1 2.300 ppm2 8.314
 
! ############### C13_CNnoesy_manual.2492 folded -
assi (attr store1 < 7.847 and attr store1 > 7.747 )
     ((attr store1 < 2.329 and attr store1 > 2.269 ) and 
      (bondedto (attr store1 < 127.834083947  and attr store1 > 127.034083947 ) or 
       bondedto (attr store1 < 32.3486386844  and attr store1 > 31.5486386844 ))) 
6 0.1 0.1 peak 2492 volume 10.67959 ppm1 2.299 ppm2 7.797
 
! ############### C13_CNnoesy_manual.2493 folded -
assi (attr store1 < 4.032 and attr store1 > 3.932 )
     ((attr store1 < 2.328 and attr store1 > 2.268 ) and 
      (bondedto (attr store1 < 127.831083947  and attr store1 > 127.031083947 ) or 
       bondedto (attr store1 < 32.3456386844  and attr store1 > 31.5456386844 ))) 
6 0.1 0.1 peak 2493 volume 37.7174 ppm1 2.298 ppm2 3.982
 
! ############### C13_CNnoesy_manual.2494 folded -
assi (attr store1 < 3.852 and attr store1 > 3.752 )
     ((attr store1 < 2.032 and attr store1 > 1.972 ) and 
      (bondedto (attr store1 < 127.855083947  and attr store1 > 127.055083947 ) or 
       bondedto (attr store1 < 32.3696386844  and attr store1 > 31.5696386844 ))) 
6 0.1 0.1 peak 2494 volume 19.76336 ppm1 2.002 ppm2 3.802
 
! ############### C13_CNnoesy_manual.2495 folded -
assi (attr store1 < 1.288 and attr store1 > 1.188 )
     ((attr store1 < 1.954 and attr store1 > 1.894 ) and 
      (bondedto (attr store1 < 127.895083947  and attr store1 > 127.095083947 ) or 
       bondedto (attr store1 < 32.4096386844  and attr store1 > 31.6096386844 ))) 
6 0.1 0.1 peak 2495 volume 24.87497 ppm1 1.924 ppm2 1.238
 
! ############### C13_CNnoesy_manual.2496 folded +
assi (attr store1 < 2.903 and attr store1 > 2.803 )
     ((attr store1 < 3.86 and attr store1 > 3.8 ) and 
      (bondedto (attr store1 < 103.845722631  and attr store1 > 103.045722631 ) or 
       bondedto (attr store1 < 56.103  and attr store1 > 55.303 ) or 
       bondedto (attr store1 < 8.3602773688  and attr store1 > 7.5602773688 ))) 
6 0.1 0.1 peak 2496 volume 10.81771 ppm1 3.830 ppm2 2.853
 
! ############### C13_CNnoesy_manual.2497 folded +
assi (attr store1 < 8.61 and attr store1 > 8.51 )
     ((attr store1 < 3.841 and attr store1 > 3.781 ) and 
      (bondedto (attr store1 < 103.871722631  and attr store1 > 103.071722631 ) or 
       bondedto (attr store1 < 56.129  and attr store1 > 55.329 ) or 
       bondedto (attr store1 < 8.3862773688  and attr store1 > 7.5862773688 ))) 
6 0.1 0.1 peak 2497 volume 18.38634 ppm1 3.811 ppm2 8.560
 
! ############### C13_CNnoesy_manual.2498 folded -
assi (attr store1 < 4.375 and attr store1 > 4.275 )
     ((attr store1 < 2.428 and attr store1 > 2.368 ) and 
      (bondedto (attr store1 < 127.720083947  and attr store1 > 126.920083947 ) or 
       bondedto (attr store1 < 32.2346386844  and attr store1 > 31.4346386844 ))) 
6 0.1 0.1 peak 2498 volume 56.90519 ppm1 2.398 ppm2 4.325
 
! ############### C13_CNnoesy_manual.2499 folded -
assi (attr store1 < 3.856 and attr store1 > 3.756 )
     ((attr store1 < 2.429 and attr store1 > 2.369 ) and 
      (bondedto (attr store1 < 127.738083947  and attr store1 > 126.938083947 ) or 
       bondedto (attr store1 < 32.2526386844  and attr store1 > 31.4526386844 ))) 
6 0.1 0.1 peak 2499 volume 13.92526 ppm1 2.399 ppm2 3.806
 
! ############### C13_CNnoesy_manual.2500 folded -
assi (attr store1 < 4.389 and attr store1 > 4.289 )
     ((attr store1 < 2.035 and attr store1 > 1.975 ) and 
      (bondedto (attr store1 < 127.721083947  and attr store1 > 126.921083947 ) or 
       bondedto (attr store1 < 32.2356386844  and attr store1 > 31.4356386844 ))) 
6 0.1 0.1 peak 2500 volume 33.5738 ppm1 2.005 ppm2 4.339
 
! ############### C13_CNnoesy_manual.2501 folded +
assi (attr store1 < 7.095 and attr store1 > 6.995 )
     ((attr store1 < 3.852 and attr store1 > 3.792 ) and 
      (bondedto (attr store1 < 103.842722631  and attr store1 > 103.042722631 ) or 
       bondedto (attr store1 < 56.1  and attr store1 > 55.3 ) or 
       bondedto (attr store1 < 8.3572773688  and attr store1 > 7.5572773688 ))) 
6 0.1 0.1 peak 2501 volume 12.08977 ppm1 3.822 ppm2 7.045
 
! ############### C13_CNnoesy_manual.2502 folded +
assi (attr store1 < 1.624 and attr store1 > 1.524 )
     ((attr store1 < 3.851 and attr store1 > 3.791 ) and 
      (bondedto (attr store1 < 103.798722631  and attr store1 > 102.998722631 ) or 
       bondedto (attr store1 < 56.056  and attr store1 > 55.256 ) or 
       bondedto (attr store1 < 8.3132773688  and attr store1 > 7.5132773688 ))) 
6 0.1 0.1 peak 2502 volume 73.48318 ppm1 3.821 ppm2 1.574
 
! ############### C13_CNnoesy_manual.2503 folded +
assi (attr store1 < 8.413 and attr store1 > 8.313 )
     ((attr store1 < 3.864 and attr store1 > 3.804 ) and 
      (bondedto (attr store1 < 103.487722631  and attr store1 > 102.687722631 ) or 
       bondedto (attr store1 < 55.745  and attr store1 > 54.945 ) or 
       bondedto (attr store1 < 8.0022773688  and attr store1 > 7.2022773688 ))) 
6 0.1 0.1 peak 2503 volume 5.60156 ppm1 3.834 ppm2 8.363
 
! ############### C13_CNnoesy_manual.2504 folded +
assi (attr store1 < 8.203 and attr store1 > 8.103 )
     ((attr store1 < 3.847 and attr store1 > 3.787 ) and 
      (bondedto (attr store1 < 103.476722631  and attr store1 > 102.676722631 ) or 
       bondedto (attr store1 < 55.734  and attr store1 > 54.934 ) or 
       bondedto (attr store1 < 7.9912773688  and attr store1 > 7.1912773688 ))) 
6 0.1 0.1 peak 2504 volume 28.26379 ppm1 3.817 ppm2 8.153
 
! ############### C13_CNnoesy_manual.2505 folded +
assi (attr store1 < 3.867 and attr store1 > 3.767 )
     ((attr store1 < 3.847 and attr store1 > 3.787 ) and 
      (bondedto (attr store1 < 103.561722631  and attr store1 > 102.761722631 ) or 
       bondedto (attr store1 < 55.819  and attr store1 > 55.019 ) or 
       bondedto (attr store1 < 8.0762773688  and attr store1 > 7.2762773688 ))) 
6 0.1 0.1 peak 2505 volume 584.21100 ppm1 3.817 ppm2 3.817
 
! ############### C13_CNnoesy_manual.2506 folded +
assi (attr store1 < 0.945 and attr store1 > 0.845 )
     ((attr store1 < 3.846 and attr store1 > 3.786 ) and 
      (bondedto (attr store1 < 103.483722631  and attr store1 > 102.683722631 ) or 
       bondedto (attr store1 < 55.741  and attr store1 > 54.941 ) or 
       bondedto (attr store1 < 7.9982773688  and attr store1 > 7.1982773688 ))) 
6 0.1 0.1 peak 2506 volume 46.12235 ppm1 3.816 ppm2 0.895
 
! ############### C13_CNnoesy_manual.2507 folded +
assi (attr store1 < 0.827 and attr store1 > 0.727 )
     ((attr store1 < 3.848 and attr store1 > 3.788 ) and 
      (bondedto (attr store1 < 103.472722631  and attr store1 > 102.672722631 ) or 
       bondedto (attr store1 < 55.73  and attr store1 > 54.93 ) or 
       bondedto (attr store1 < 7.9872773688  and attr store1 > 7.1872773688 ))) 
6 0.1 0.1 peak 2507 volume 27.68546 ppm1 3.818 ppm2 0.777
 
! ############### C13_CNnoesy_manual.2508 folded +
assi (attr store1 < 0.135 and attr store1 > 0.035 )
     ((attr store1 < 3.846 and attr store1 > 3.786 ) and 
      (bondedto (attr store1 < 103.473722631  and attr store1 > 102.673722631 ) or 
       bondedto (attr store1 < 55.731  and attr store1 > 54.931 ) or 
       bondedto (attr store1 < 7.9882773688  and attr store1 > 7.1882773688 ))) 
6 0.1 0.1 peak 2508 volume 53.47038 ppm1 3.816 ppm2 0.085
 
! ############### C13_CNnoesy_manual.2509 folded +
assi (attr store1 < 7.892 and attr store1 > 7.792 )
     ((attr store1 < 3.84 and attr store1 > 3.78 ) and 
      (bondedto (attr store1 < 103.534722631  and attr store1 > 102.734722631 ) or 
       bondedto (attr store1 < 55.792  and attr store1 > 54.992 ) or 
       bondedto (attr store1 < 8.0492773688  and attr store1 > 7.2492773688 ))) 
6 0.1 0.1 peak 2509 volume 10.21514 ppm1 3.810 ppm2 7.842
 
! ############### C13_CNnoesy_manual.2510 folded +
assi (attr store1 < 7.262 and attr store1 > 7.162 )
     ((attr store1 < 3.84 and attr store1 > 3.78 ) and 
      (bondedto (attr store1 < 103.514722631  and attr store1 > 102.714722631 ) or 
       bondedto (attr store1 < 55.772  and attr store1 > 54.972 ) or 
       bondedto (attr store1 < 8.0292773688  and attr store1 > 7.2292773688 ))) 
6 0.1 0.1 peak 2510 volume 7.66636 ppm1 3.810 ppm2 7.212
 
! ############### C13_CNnoesy_manual.2511 folded -
assi (attr store1 < 3.085 and attr store1 > 2.985 )
     ((attr store1 < 3.058 and attr store1 > 2.998 ) and 
      (bondedto (attr store1 < 127.362083947  and attr store1 > 126.562083947 ) or 
       bondedto (attr store1 < 31.8766386844  and attr store1 > 31.0766386844 ))) 
6 0.1 0.1 peak 2511 volume 119.41068 ppm1 3.028 ppm2 3.035
 
! ############### C13_CNnoesy_manual.2512 folded -
assi (attr store1 < 3.661 and attr store1 > 3.561 )
     ((attr store1 < 2.687 and attr store1 > 2.627 ) and 
      (bondedto (attr store1 < 127.378083947  and attr store1 > 126.578083947 ) or 
       bondedto (attr store1 < 31.8926386844  and attr store1 > 31.0926386844 ))) 
6 0.1 0.1 peak 2512 volume 6.39881 ppm1 2.657 ppm2 3.611
 
! ############### C13_CNnoesy_manual.2513 folded +
assi (attr store1 < 1.431 and attr store1 > 1.331 )
     ((attr store1 < 3.848 and attr store1 > 3.788 ) and 
      (bondedto (attr store1 < 103.461722631  and attr store1 > 102.661722631 ) or 
       bondedto (attr store1 < 55.719  and attr store1 > 54.919 ) or 
       bondedto (attr store1 < 7.9762773688  and attr store1 > 7.1762773688 ))) 
6 0.1 0.1 peak 2513 volume 103.29188 ppm1 3.818 ppm2 1.381
 
! ############### C13_CNnoesy_manual.2514 folded -
assi (attr store1 < 7.247 and attr store1 > 7.147 )
     ((attr store1 < 3.065 and attr store1 > 3.005 ) and 
      (bondedto (attr store1 < 127.311083947  and attr store1 > 126.511083947 ) or 
       bondedto (attr store1 < 31.8256386844  and attr store1 > 31.0256386844 ))) 
6 0.1 0.1 peak 2514 volume 6.31099 ppm1 3.035 ppm2 7.197
 
! ############### C13_CNnoesy_manual.2515 folded -
assi (attr store1 < 4.702 and attr store1 > 4.602 )
     ((attr store1 < 3.068 and attr store1 > 3.008 ) and 
      (bondedto (attr store1 < 127.268083947  and attr store1 > 126.468083947 ) or 
       bondedto (attr store1 < 31.7826386844  and attr store1 > 30.9826386844 ))) 
6 0.1 0.1 peak 2515 volume 14.61656 ppm1 3.038 ppm2 4.652
 
! ############### C13_CNnoesy_manual.2516 folded -
assi (attr store1 < 4.246 and attr store1 > 4.146 )
     ((attr store1 < 3.07 and attr store1 > 3.01 ) and 
      (bondedto (attr store1 < 127.284083947  and attr store1 > 126.484083947 ) or 
       bondedto (attr store1 < 31.7986386844  and attr store1 > 30.9986386844 ))) 
6 0.1 0.1 peak 2516 volume 7.21678 ppm1 3.040 ppm2 4.196
 
! ############### C13_CNnoesy_manual.2517 folded -
assi (attr store1 < 3.667 and attr store1 > 3.567 )
     ((attr store1 < 3.066 and attr store1 > 3.006 ) and 
      (bondedto (attr store1 < 127.308083947  and attr store1 > 126.508083947 ) or 
       bondedto (attr store1 < 31.8226386844  and attr store1 > 31.0226386844 ))) 
6 0.1 0.1 peak 2517 volume 11.46177 ppm1 3.036 ppm2 3.617
 
! ############### C13_CNnoesy_manual.2518 folded -
assi (attr store1 < 2.707 and attr store1 > 2.607 )
     ((attr store1 < 3.067 and attr store1 > 3.007 ) and 
      (bondedto (attr store1 < 127.328083947  and attr store1 > 126.528083947 ) or 
       bondedto (attr store1 < 31.8426386844  and attr store1 > 31.0426386844 ))) 
6 0.1 0.1 peak 2518 volume 82.08795 ppm1 3.037 ppm2 2.657
 
! ############### C13_CNnoesy_manual.2519 folded -
assi (attr store1 < 2.352 and attr store1 > 2.252 )
     ((attr store1 < 3.069 and attr store1 > 3.009 ) and 
      (bondedto (attr store1 < 127.286083947  and attr store1 > 126.486083947 ) or 
       bondedto (attr store1 < 31.8006386844  and attr store1 > 31.0006386844 ))) 
6 0.1 0.1 peak 2519 volume 18.13069 ppm1 3.039 ppm2 2.302
 
! ############### C13_CNnoesy_manual.2520 folded -
assi (attr store1 < 4.556 and attr store1 > 4.456 )
     ((attr store1 < 2.686 and attr store1 > 2.626 ) and 
      (bondedto (attr store1 < 127.302083947  and attr store1 > 126.502083947 ) or 
       bondedto (attr store1 < 31.8166386844  and attr store1 > 31.0166386844 ))) 
6 0.1 0.1 peak 2520 volume 17.47114 ppm1 2.656 ppm2 4.506
 
! ############### C13_CNnoesy_manual.2521 folded -
assi (attr store1 < 3.087 and attr store1 > 2.987 )
     ((attr store1 < 2.689 and attr store1 > 2.629 ) and 
      (bondedto (attr store1 < 127.318083947  and attr store1 > 126.518083947 ) or 
       bondedto (attr store1 < 31.8326386844  and attr store1 > 31.0326386844 ))) 
6 0.1 0.1 peak 2521 volume 75.00663 ppm1 2.659 ppm2 3.037
 
! ############### C13_CNnoesy_manual.2522 folded -
assi (attr store1 < 2.709 and attr store1 > 2.609 )
     ((attr store1 < 2.688 and attr store1 > 2.628 ) and 
      (bondedto (attr store1 < 127.318083947  and attr store1 > 126.518083947 ) or 
       bondedto (attr store1 < 31.8326386844  and attr store1 > 31.0326386844 ))) 
6 0.1 0.1 peak 2522 volume 81.91981 ppm1 2.658 ppm2 2.659
 
! ############### C13_CNnoesy_manual.2523 folded -
assi (attr store1 < 7.266 and attr store1 > 7.166 )
     ((attr store1 < 2.681 and attr store1 > 2.621 ) and 
      (bondedto (attr store1 < 127.302083947  and attr store1 > 126.502083947 ) or 
       bondedto (attr store1 < 31.8166386844  and attr store1 > 31.0166386844 ))) 
6 0.1 0.1 peak 2523 volume 9.58133 ppm1 2.651 ppm2 7.216
 
! ############### C13_CNnoesy_manual.2524 folded +
assi (attr store1 < 8.377 and attr store1 > 8.277 )
     ((attr store1 < 4.462 and attr store1 > 4.402 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2524 volume 16.15688 ppm1 4.432 ppm2 8.327
 
! ############### C13_CNnoesy_manual.2525 folded +
assi (attr store1 < 1.736 and attr store1 > 1.636 )
     ((attr store1 < 4.464 and attr store1 > 4.404 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2525 volume 69.46514 ppm1 4.434 ppm2 1.686
 
! ############### C13_CNnoesy_manual.2526 folded +
assi (attr store1 < 1.004 and attr store1 > 0.904 )
     ((attr store1 < 4.463 and attr store1 > 4.403 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2526 volume 69.16898 ppm1 4.433 ppm2 0.954
 
! ############### C13_CNnoesy_manual.2527 folded +
assi (attr store1 < 0.803 and attr store1 > 0.703 )
     ((attr store1 < 4.298 and attr store1 > 4.238 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2527 volume 8.99215 ppm1 4.268 ppm2 0.753
 
! ############### C13_CNnoesy_manual.2528 folded +
assi (attr store1 < 7.741 and attr store1 > 7.641 )
     ((attr store1 < 4.215 and attr store1 > 4.155 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2528 volume 9.86886 ppm1 4.185 ppm2 7.691
 
! ############### C13_CNnoesy_manual.2529 folded +
assi (attr store1 < 1.42 and attr store1 > 1.32 )
     ((attr store1 < 4.21 and attr store1 > 4.15 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2529 volume 45.00376 ppm1 4.180 ppm2 1.370
 
! ############### C13_CNnoesy_manual.2530 folded +
assi (attr store1 < 8.729 and attr store1 > 8.629 )
     ((attr store1 < 4.085 and attr store1 > 4.025 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2530 volume 9.30649 ppm1 4.055 ppm2 8.679
 
! ############### C13_CNnoesy_manual.2531 folded +
assi (attr store1 < 8.465 and attr store1 > 8.365 )
     ((attr store1 < 4.083 and attr store1 > 4.023 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2531 volume 7.72279 ppm1 4.053 ppm2 8.415
 
! ############### C13_CNnoesy_manual.2532 folded +
assi (attr store1 < 8.076 and attr store1 > 7.976 )
     ((attr store1 < 4.086 and attr store1 > 4.026 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2532 volume 22.73598 ppm1 4.056 ppm2 8.026
 
! ############### C13_CNnoesy_manual.2533 folded +
assi (attr store1 < 7.786 and attr store1 > 7.686 )
     ((attr store1 < 4.085 and attr store1 > 4.025 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2533 volume 34.26838 ppm1 4.055 ppm2 7.736
 
! ############### C13_CNnoesy_manual.2534 folded +
assi (attr store1 < 1.585 and attr store1 > 1.485 )
     ((attr store1 < 4.086 and attr store1 > 4.026 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2534 volume 152.04166 ppm1 4.056 ppm2 1.535
 
! ############### C13_CNnoesy_manual.2535 folded +
assi (attr store1 < 1.417 and attr store1 > 1.317 )
     ((attr store1 < 4.086 and attr store1 > 4.026 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2535 volume 20.97102 ppm1 4.056 ppm2 1.367
 
! ############### C13_CNnoesy_manual.2536 folded +
assi (attr store1 < 0.956 and attr store1 > 0.856 )
     ((attr store1 < 4.087 and attr store1 > 4.027 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2536 volume 28.07424 ppm1 4.057 ppm2 0.906
 
! ############### C13_CNnoesy_manual.2537 folded +
assi (attr store1 < 0.803 and attr store1 > 0.703 )
     ((attr store1 < 4.086 and attr store1 > 4.026 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2537 volume 55.42472 ppm1 4.056 ppm2 0.753
 
! ############### C13_CNnoesy_manual.2538 folded +
assi (attr store1 < 7.907 and attr store1 > 7.807 )
     ((attr store1 < 3.818 and attr store1 > 3.758 ) and 
      (bondedto (attr store1 < 103.331722631  and attr store1 > 102.531722631 ) or 
       bondedto (attr store1 < 55.589  and attr store1 > 54.789 ) or 
       bondedto (attr store1 < 7.8462773688  and attr store1 > 7.0462773688 ))) 
6 0.1 0.1 peak 2538 volume 7.83531 ppm1 3.788 ppm2 7.857
 
! ############### C13_CNnoesy_manual.2539 folded -
assi (attr store1 < 3.061 and attr store1 > 2.961 )
     ((attr store1 < 3.324 and attr store1 > 3.264 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2539 volume 42.51442 ppm1 3.294 ppm2 3.011
 
! ############### C13_CNnoesy_manual.2540 folded -
assi (attr store1 < 3.283 and attr store1 > 3.183 )
     ((attr store1 < 3.27 and attr store1 > 3.21 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2540 volume 665.79236 ppm1 3.240 ppm2 3.233
 
! ############### C13_CNnoesy_manual.2541 folded -
assi (attr store1 < 4.564 and attr store1 > 4.464 )
     ((attr store1 < 3.058 and attr store1 > 2.998 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2541 volume 31.93848 ppm1 3.028 ppm2 4.514
 
! ############### C13_CNnoesy_manual.2542 folded -
assi (attr store1 < 3.333 and attr store1 > 3.233 )
     ((attr store1 < 3.037 and attr store1 > 2.977 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2542 volume 41.75373 ppm1 3.007 ppm2 3.283
 
! ############### C13_CNnoesy_manual.2543 folded -
assi (attr store1 < 8.197 and attr store1 > 8.097 )
     ((attr store1 < 2.29 and attr store1 > 2.23 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2543 volume 9.07133 ppm1 2.260 ppm2 8.147
 
! ############### C13_CNnoesy_manual.2544 folded -
assi (attr store1 < 7.832 and attr store1 > 7.732 )
     ((attr store1 < 2.286 and attr store1 > 2.226 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2544 volume 11.51704 ppm1 2.256 ppm2 7.782
 
! ############### C13_CNnoesy_manual.2545 folded -
assi (attr store1 < 7.688 and attr store1 > 7.588 )
     ((attr store1 < 2.291 and attr store1 > 2.231 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2545 volume 6.52145 ppm1 2.261 ppm2 7.638
 
! ############### C13_CNnoesy_manual.2546 folded -
assi (attr store1 < 7.728 and attr store1 > 7.628 )
     ((attr store1 < 2.203 and attr store1 > 2.143 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2546 volume 12.67339 ppm1 2.173 ppm2 7.678
 
! ############### C13_CNnoesy_manual.2547 folded -
assi (attr store1 < 4.233 and attr store1 > 4.133 )
     ((attr store1 < 1.732 and attr store1 > 1.672 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2547 volume 22.93749 ppm1 1.702 ppm2 4.183
 
! ############### C13_CNnoesy_manual.2548 folded -
assi (attr store1 < 3.061 and attr store1 > 2.961 )
     ((attr store1 < 1.727 and attr store1 > 1.667 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2548 volume 19.49335 ppm1 1.697 ppm2 3.011
 
! ############### C13_CNnoesy_manual.2549 folded -
assi (attr store1 < 1.385 and attr store1 > 1.285 )
     ((attr store1 < 1.725 and attr store1 > 1.665 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2549 volume 82.76114 ppm1 1.695 ppm2 1.335
 
! ############### C13_CNnoesy_manual.2550 folded -
assi (attr store1 < 0.353 and attr store1 > 0.253 )
     ((attr store1 < 1.729 and attr store1 > 1.669 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2550 volume 12.25877 ppm1 1.699 ppm2 0.303
 
! ############### C13_CNnoesy_manual.2551 folded -
assi (attr store1 < 0.877 and attr store1 > 0.777 )
     ((attr store1 < 1.718 and attr store1 > 1.658 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2551 volume 13.89246 ppm1 1.688 ppm2 0.827
 
! ############### C13_CNnoesy_manual.2552 folded -
assi (attr store1 < 1.588 and attr store1 > 1.488 )
     ((attr store1 < 1.584 and attr store1 > 1.524 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2552 volume 91.95203 ppm1 1.554 ppm2 1.538
 
! ############### C13_CNnoesy_manual.2553 folded -
assi (attr store1 < 4.235 and attr store1 > 4.135 )
     ((attr store1 < 1.361 and attr store1 > 1.301 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2553 volume 28.31523 ppm1 1.331 ppm2 4.185
 
! ############### C13_CNnoesy_manual.2554 folded -
assi (attr store1 < 3.703 and attr store1 > 3.603 )
     ((attr store1 < 1.358 and attr store1 > 1.298 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2554 volume 18.44768 ppm1 1.328 ppm2 3.653
 
! ############### C13_CNnoesy_manual.2555 folded -
assi (attr store1 < 3.069 and attr store1 > 2.969 )
     ((attr store1 < 1.362 and attr store1 > 1.302 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2555 volume 13.8102 ppm1 1.332 ppm2 3.019
 
! ############### C13_CNnoesy_manual.2556 folded -
assi (attr store1 < 1.747 and attr store1 > 1.647 )
     ((attr store1 < 1.363 and attr store1 > 1.303 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2556 volume 92.61927 ppm1 1.333 ppm2 1.697
 
! ############### C13_CNnoesy_manual.2557 folded -
assi (attr store1 < 1.367 and attr store1 > 1.267 )
     ((attr store1 < 1.36 and attr store1 > 1.3 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2557 volume 201.80113 ppm1 1.330 ppm2 1.317
 
! ############### C13_CNnoesy_manual.2558 folded -
assi (attr store1 < 0.9 and attr store1 > 0.8 )
     ((attr store1 < 1.365 and attr store1 > 1.305 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2558 volume 15.36786 ppm1 1.335 ppm2 0.850
 
! ############### C13_CNnoesy_manual.2559 folded -
assi (attr store1 < 2.304 and attr store1 > 2.204 )
     ((attr store1 < 1.352 and attr store1 > 1.292 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2559 volume 7.0268 ppm1 1.322 ppm2 2.254
 
! ############### C13_CNnoesy_manual.2560 folded -
assi (attr store1 < 0.353 and attr store1 > 0.253 )
     ((attr store1 < 1.357 and attr store1 > 1.297 ) and 
      (bondedto (attr store1 < 127.203083947  and attr store1 > 126.403083947 ) or 
       bondedto (attr store1 < 31.7176386844  and attr store1 > 30.9176386844 ))) 
6 0.1 0.1 peak 2560 volume 15.76186 ppm1 1.327 ppm2 0.303
 
! ############### C13_CNnoesy_manual.2561 folded -
assi (attr store1 < 0.991 and attr store1 > 0.891 )
     ((attr store1 < 5.501 and attr store1 > 5.441 ) and 
      (bondedto (attr store1 < 149.768083947  and attr store1 > 148.968083947 ) or 
       bondedto (attr store1 < 54.2826386844  and attr store1 > 53.4826386844 ))) 
6 0.1 0.1 peak 2561 volume 10.60124 ppm1 5.471 ppm2 0.941
 
! ############### C13_CNnoesy_manual.2562 folded -
assi (attr store1 < 2.481 and attr store1 > 2.381 )
     ((attr store1 < 5.494 and attr store1 > 5.434 ) and 
      (bondedto (attr store1 < 149.768083947  and attr store1 > 148.968083947 ) or 
       bondedto (attr store1 < 54.2826386844  and attr store1 > 53.4826386844 ))) 
6 0.1 0.1 peak 2562 volume 15.72667 ppm1 5.464 ppm2 2.431
 
! ############### C13_CNnoesy_manual.2563 folded -
assi (attr store1 < 3.037 and attr store1 > 2.937 )
     ((attr store1 < 5.495 and attr store1 > 5.435 ) and 
      (bondedto (attr store1 < 149.768083947  and attr store1 > 148.968083947 ) or 
       bondedto (attr store1 < 54.2826386844  and attr store1 > 53.4826386844 ))) 
6 0.1 0.1 peak 2563 volume 30.86374 ppm1 5.465 ppm2 2.987
 
! ############### C13_CNnoesy_manual.2564 folded -
assi (attr store1 < 5.517 and attr store1 > 5.417 )
     ((attr store1 < 5.498 and attr store1 > 5.438 ) and 
      (bondedto (attr store1 < 149.768083947  and attr store1 > 148.968083947 ) or 
       bondedto (attr store1 < 54.2826386844  and attr store1 > 53.4826386844 ))) 
6 0.1 0.1 peak 2564 volume 244.00186 ppm1 5.468 ppm2 5.467
 
! ############### C13_CNnoesy_manual.2565 folded -
assi (attr store1 < 7.68 and attr store1 > 7.58 )
     ((attr store1 < 5.498 and attr store1 > 5.438 ) and 
      (bondedto (attr store1 < 149.768083947  and attr store1 > 148.968083947 ) or 
       bondedto (attr store1 < 54.2826386844  and attr store1 > 53.4826386844 ))) 
6 0.1 0.1 peak 2565 volume 9.80772 ppm1 5.468 ppm2 7.630
 
! ############### C13_CNnoesy_manual.2566 folded -
assi (attr store1 < 8.229 and attr store1 > 8.129 )
     ((attr store1 < 5.498 and attr store1 > 5.438 ) and 
      (bondedto (attr store1 < 149.768083947  and attr store1 > 148.968083947 ) or 
       bondedto (attr store1 < 54.2826386844  and attr store1 > 53.4826386844 ))) 
6 0.1 0.1 peak 2566 volume 24.82482 ppm1 5.468 ppm2 8.179
 
! ############### C13_CNnoesy_manual.2567 folded -
assi (attr store1 < 8.708 and attr store1 > 8.608 )
     ((attr store1 < 5.5 and attr store1 > 5.44 ) and 
      (bondedto (attr store1 < 149.768083947  and attr store1 > 148.968083947 ) or 
       bondedto (attr store1 < 54.2826386844  and attr store1 > 53.4826386844 ))) 
6 0.1 0.1 peak 2567 volume 8.55475 ppm1 5.470 ppm2 8.658
 
! ############### C13_CNnoesy_manual.2568 folded +
assi (attr store1 < 3.341 and attr store1 > 3.241 )
     ((attr store1 < 3.329 and attr store1 > 3.269 ) and 
      (bondedto (attr store1 < 126.269722631  and attr store1 > 125.469722631 ) or 
       bondedto (attr store1 < 78.527  and attr store1 > 77.727 ) or 
       bondedto (attr store1 < 30.7842773688  and attr store1 > 29.9842773688 ))) 
6 0.1 0.1 peak 2568 volume 11.76315 ppm1 3.299 ppm2 3.291
 
! ############### C13_CNnoesy_manual.2569 folded +
assi (attr store1 < 4.874 and attr store1 > 4.774 )
     ((attr store1 < 1.012 and attr store1 > 0.952 ) and 
      (bondedto (attr store1 < 121.048722631  and attr store1 > 120.248722631 ) or 
       bondedto (attr store1 < 73.306  and attr store1 > 72.506 ) or 
       bondedto (attr store1 < 25.5632773688  and attr store1 > 24.7632773688 ))) 
6 0.1 0.1 peak 2569 volume 58.68157 ppm1 0.982 ppm2 4.824
 
! ############### C13_CNnoesy_manual.2570 folded +
assi (attr store1 < 3.507 and attr store1 > 3.407 )
     ((attr store1 < 7.752 and attr store1 > 7.692 ) and 
      (bondedto (attr store1 < 121.234722631  and attr store1 > 120.434722631 ) or 
       bondedto (attr store1 < 73.492  and attr store1 > 72.692 ) or 
       bondedto (attr store1 < 25.7492773688  and attr store1 > 24.9492773688 ))) 
6 0.1 0.1 peak 2570 volume 13.92209 ppm1 7.722 ppm2 3.457
 
! ############### C13_CNnoesy_manual.2571 folded +
assi (attr store1 < 1.052 and attr store1 > 0.952 )
     ((attr store1 < 7.754 and attr store1 > 7.694 ) and 
      (bondedto (attr store1 < 121.234722631  and attr store1 > 120.434722631 ) or 
       bondedto (attr store1 < 73.492  and attr store1 > 72.692 ) or 
       bondedto (attr store1 < 25.7492773688  and attr store1 > 24.9492773688 ))) 
6 0.1 0.1 peak 2571 volume 5.66453 ppm1 7.724 ppm2 1.002
 
! ############### C13_CNnoesy_manual.2573 folded -
assi (attr store1 < 1.538 and attr store1 > 1.438 )
     ((attr store1 < 3.327 and attr store1 > 3.267 ) and 
      (bondedto (attr store1 < 134.569083947  and attr store1 > 133.769083947 ) or 
       bondedto (attr store1 < 39.0836386844  and attr store1 > 38.2836386844 ))) 
6 0.1 0.1 peak 2573 volume 9.26558 ppm1 3.297 ppm2 1.488
 
! ############### C13_CNnoesy_manual.2575 folded +
assi (attr store1 < 0.798 and attr store1 > 0.698 )
     ((attr store1 < 2.33 and attr store1 > 2.27 ) and 
      (bondedto (attr store1 < 123.938722631  and attr store1 > 123.138722631 ) or 
       bondedto (attr store1 < 76.196  and attr store1 > 75.396 ) or 
       bondedto (attr store1 < 28.4532773688  and attr store1 > 27.6532773688 ))) 
6 0.1 0.1 peak 2575 volume 7.56597 ppm1 2.300 ppm2 0.748
 
! ############### C13_CNnoesy_manual.2576 folded +
assi (attr store1 < 0.137 and attr store1 > 0.037 )
     ((attr store1 < 0.819 and attr store1 > 0.759 ) and 
      (bondedto (attr store1 < 122.726722631  and attr store1 > 121.926722631 ) or 
       bondedto (attr store1 < 74.984  and attr store1 > 74.184 ) or 
       bondedto (attr store1 < 27.2412773688  and attr store1 > 26.4412773688 ))) 
6 0.1 0.1 peak 2576 volume 7.51183 ppm1 0.789 ppm2 0.087
 
! ############### C13_CNnoesy_manual.2577 folded +
assi (attr store1 < 0.141 and attr store1 > 0.041 )
     ((attr store1 < 4.113 and attr store1 > 4.053 ) and 
      (bondedto (attr store1 < 105.942722631  and attr store1 > 105.142722631 ) or 
       bondedto (attr store1 < 58.2  and attr store1 > 57.4 ) or 
       bondedto (attr store1 < 10.4572773688  and attr store1 > 9.6572773688 ))) 
6 0.1 0.1 peak 2577 volume 9.94642 ppm1 4.083 ppm2 0.091
 
! ############### C13_CNnoesy_manual.2582 folded -
assi (attr store1 < 1.536 and attr store1 > 1.436 )
     ((attr store1 < 3.074 and attr store1 > 3.014 ) and 
      (bondedto (attr store1 < 134.476083947  and attr store1 > 133.676083947 ) or 
       bondedto (attr store1 < 38.9906386844  and attr store1 > 38.1906386844 ))) 
6 0.1 0.1 peak 2582 volume 5.72997 ppm1 3.044 ppm2 1.486
 
! ############### C13_CNnoesy_manual.2583 folded +
assi (attr store1 < 0.147 and attr store1 > 0.047 )
     ((attr store1 < 0.895 and attr store1 > 0.835 ) and 
      (bondedto (attr store1 < 112.749722631  and attr store1 > 111.949722631 ) or 
       bondedto (attr store1 < 65.007  and attr store1 > 64.207 ) or 
       bondedto (attr store1 < 17.2642773688  and attr store1 > 16.4642773688 ))) 
6 0.1 0.1 peak 2583 volume 10.69446 ppm1 0.865 ppm2 0.097
 
! ############### C13_CNnoesy_manual.2584 folded +
assi (attr store1 < 1.153 and attr store1 > 1.053 )
     ((attr store1 < 0.779 and attr store1 > 0.719 ) and 
      (bondedto (attr store1 < 106.128722631  and attr store1 > 105.328722631 ) or 
       bondedto (attr store1 < 58.386  and attr store1 > 57.586 ) or 
       bondedto (attr store1 < 10.6432773688  and attr store1 > 9.8432773688 ))) 
6 0.1 0.1 peak 2584 volume 115.16804 ppm1 0.749 ppm2 1.103
 
! ############### C13_CNnoesy_manual.2585 folded +
assi (attr store1 < 4.142 and attr store1 > 4.042 )
     ((attr store1 < 0.667 and attr store1 > 0.607 ) and 
      (bondedto (attr store1 < 123.565722631  and attr store1 > 122.765722631 ) or 
       bondedto (attr store1 < 75.823  and attr store1 > 75.023 ) or 
       bondedto (attr store1 < 28.0802773688  and attr store1 > 27.2802773688 ))) 
6 0.1 0.1 peak 2585 volume 14.29373 ppm1 0.637 ppm2 4.092
 
! ############### C13_CNnoesy_manual.2596 folded -
assi (attr store1 < 10.303 and attr store1 > 10.203 )
     ((attr store1 < 7.486 and attr store1 > 7.426 ) and 
      (bondedto (attr store1 < 127.949083947  and attr store1 > 127.149083947 ) or 
       bondedto (attr store1 < 32.4636386844  and attr store1 > 31.6636386844 ))) 
6 0.1 0.1 peak 2596 volume 9.60846 ppm1 7.456 ppm2 10.253
 
! ############### C13_CNnoesy_manual.2599 folded +
assi (attr store1 < 1.057 and attr store1 > 0.957 )
     ((attr store1 < 3.496 and attr store1 > 3.436 ) and 
      (bondedto (attr store1 < 124.777722631  and attr store1 > 123.977722631 ) or 
       bondedto (attr store1 < 77.035  and attr store1 > 76.235 ) or 
       bondedto (attr store1 < 29.2922773688  and attr store1 > 28.4922773688 ))) 
6 0.1 0.1 peak 2599 volume 6.81400 ppm1 3.466 ppm2 1.007
 
! ############### C13_CNnoesy_manual.2600 folded +
assi (attr store1 < 7.331 and attr store1 > 7.231 )
     ((attr store1 < 0.943 and attr store1 > 0.883 ) and 
      (bondedto (attr store1 < 109.951722631  and attr store1 > 109.151722631 ) or 
       bondedto (attr store1 < 62.209  and attr store1 > 61.409 ) or 
       bondedto (attr store1 < 14.4662773688  and attr store1 > 13.6662773688 ))) 
6 0.1 0.1 peak 2600 volume 9.53327 ppm1 0.913 ppm2 7.281
 
! ############### C13_CNnoesy_manual.2601 folded -
assi (attr store1 < 0.887 and attr store1 > 0.787 )
     ((attr store1 < 3.629 and attr store1 > 3.569 ) and 
      (bondedto (attr store1 < 147.064083947  and attr store1 > 146.264083947 ) or 
       bondedto (attr store1 < 51.5786386844  and attr store1 > 50.7786386844 ))) 
6 0.1 0.1 peak 2601 volume 6.05164 ppm1 3.599 ppm2 0.837
 
! ############### C13_CNnoesy_manual.2602 folded -
assi (attr store1 < 2.714 and attr store1 > 2.614 )
     ((attr store1 < 3.629 and attr store1 > 3.569 ) and 
      (bondedto (attr store1 < 147.064083947  and attr store1 > 146.264083947 ) or 
       bondedto (attr store1 < 51.5786386844  and attr store1 > 50.7786386844 ))) 
6 0.1 0.1 peak 2602 volume 6.81451 ppm1 3.599 ppm2 2.664
 
! ############### C13_CNnoesy_manual.2606 folded +
assi (attr store1 < 3.684 and attr store1 > 3.584 )
     ((attr store1 < 4.675 and attr store1 > 4.615 ) and 
      (bondedto (attr store1 < 110.417722631  and attr store1 > 109.617722631 ) or 
       bondedto (attr store1 < 62.675  and attr store1 > 61.875 ) or 
       bondedto (attr store1 < 14.9322773688  and attr store1 > 14.1322773688 ))) 
6 0.1 0.1 peak 2606 volume 8.55415 ppm1 4.645 ppm2 3.634
 
! ############### C13_CNnoesy_manual.2607 folded +
assi (attr store1 < 4.245 and attr store1 > 4.145 )
     ((attr store1 < 4.674 and attr store1 > 4.614 ) and 
      (bondedto (attr store1 < 110.417722631  and attr store1 > 109.617722631 ) or 
       bondedto (attr store1 < 62.675  and attr store1 > 61.875 ) or 
       bondedto (attr store1 < 14.9322773688  and attr store1 > 14.1322773688 ))) 
6 0.1 0.1 peak 2607 volume 8.70938 ppm1 4.644 ppm2 4.195
 
! ############### C13_CNnoesy_manual.2618 folded +
assi (attr store1 < 1.405 and attr store1 > 1.305 )
     ((attr store1 < 4.162 and attr store1 > 4.102 ) and 
      (bondedto (attr store1 < 109.298722631  and attr store1 > 108.498722631 ) or 
       bondedto (attr store1 < 61.556  and attr store1 > 60.756 ) or 
       bondedto (attr store1 < 13.8132773688  and attr store1 > 13.0132773688 ))) 
6 0.1 0.1 peak 2618 volume 15.76746 ppm1 4.132 ppm2 1.355
 
! ############### C13_CNnoesy_manual.2623 folded -
assi (attr store1 < 7.787 and attr store1 > 7.687 )
     ((attr store1 < 4.086 and attr store1 > 4.026 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 2623 volume 34.26219 ppm1 4.056 ppm2 7.737
 
! ############### C13_CNnoesy_manual.2624 folded -
assi (attr store1 < 8.069 and attr store1 > 7.969 )
     ((attr store1 < 4.085 and attr store1 > 4.025 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 2624 volume 12.99231 ppm1 4.055 ppm2 8.019
 
! ############### C13_CNnoesy_manual.2625 folded -
assi (attr store1 < 8.462 and attr store1 > 8.362 )
     ((attr store1 < 4.081 and attr store1 > 4.021 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 2625 volume 7.25981 ppm1 4.051 ppm2 8.412
 
! ############### C13_CNnoesy_manual.2626 folded -
assi (attr store1 < 8.735 and attr store1 > 8.635 )
     ((attr store1 < 4.081 and attr store1 > 4.021 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 2626 volume 6.87401 ppm1 4.051 ppm2 8.685
 
! ############### C13_CNnoesy_manual.2627 folded -
assi (attr store1 < 4.103 and attr store1 > 4.003 )
     ((attr store1 < 4.085 and attr store1 > 4.025 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 2627 volume 587.19708 ppm1 4.055 ppm2 4.053
 
! ############### C13_CNnoesy_manual.2628 folded -
assi (attr store1 < 2.051 and attr store1 > 1.951 )
     ((attr store1 < 4.084 and attr store1 > 4.024 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 2628 volume 8.13939 ppm1 4.054 ppm2 2.001
 
! ############### C13_CNnoesy_manual.2629 folded -
assi (attr store1 < 1.589 and attr store1 > 1.489 )
     ((attr store1 < 4.086 and attr store1 > 4.026 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 2629 volume 146.38188 ppm1 4.056 ppm2 1.539
 
! ############### C13_CNnoesy_manual.2630 folded -
assi (attr store1 < 1.402 and attr store1 > 1.302 )
     ((attr store1 < 4.084 and attr store1 > 4.024 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 2630 volume 12.06683 ppm1 4.054 ppm2 1.352
 
! ############### C13_CNnoesy_manual.2631 folded -
assi (attr store1 < 0.958 and attr store1 > 0.858 )
     ((attr store1 < 4.081 and attr store1 > 4.021 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 2631 volume 23.297 ppm1 4.051 ppm2 0.908
 
! ############### C13_CNnoesy_manual.2632 folded -
assi (attr store1 < 0.802 and attr store1 > 0.702 )
     ((attr store1 < 4.086 and attr store1 > 4.026 ) and 
      (bondedto (attr store1 < 150.981083947  and attr store1 > 150.181083947 ) or 
       bondedto (attr store1 < 55.4956386844  and attr store1 > 54.6956386844 ))) 
6 0.1 0.1 peak 2632 volume 44.6441 ppm1 4.056 ppm2 0.752
 
! ############### N15_CNnoesy.0 NOT folded
assi (attr store1 < 8.093 and attr store1 > 7.993 ) 
     ((attr store1 < 8.06 and attr store1 > 8.0 ) and bondedto
      (attr store1 < 131.348  and attr store1 > 130.548 ))
6 0.1 0.1 peak 0 volume 9.11509 ppm1 8.030 ppm2 8.043
 
! ############### N15_CNnoesy.1 NOT folded
assi (attr store1 < 8.013 and attr store1 > 7.913 ) 
     ((attr store1 < 8.034 and attr store1 > 7.974 ) and bondedto
      (attr store1 < 131.348  and attr store1 > 130.548 ))
6 0.1 0.1 peak 1 volume 15.14233 ppm1 8.004 ppm2 7.963
 
! ############### N15_CNnoesy.2 NOT folded
assi (attr store1 < 1.873 and attr store1 > 1.773 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 130.48  and attr store1 > 129.68 ))
6 0.1 0.1 peak 2 volume 7.96303 ppm1 8.005 ppm2 1.823
 
! ############### N15_CNnoesy.3 NOT folded
assi (attr store1 < 8.748 and attr store1 > 8.648 ) 
     ((attr store1 < 8.034 and attr store1 > 7.974 ) and bondedto
      (attr store1 < 130.435  and attr store1 > 129.635 ))
6 0.1 0.1 peak 3 volume 12.32403 ppm1 8.004 ppm2 8.698
 
! ############### N15_CNnoesy.4 NOT folded
assi (attr store1 < 8.336 and attr store1 > 8.236 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 130.44  and attr store1 > 129.64 ))
6 0.1 0.1 peak 4 volume 29.14626 ppm1 8.005 ppm2 8.286
 
! ############### N15_CNnoesy.5 NOT folded
assi (attr store1 < 8.223 and attr store1 > 8.123 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 130.439  and attr store1 > 129.639 ))
6 0.1 0.1 peak 5 volume 44.10082 ppm1 8.005 ppm2 8.173
 
! ############### N15_CNnoesy.6 NOT folded
assi (attr store1 < 8.054 and attr store1 > 7.954 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 130.441  and attr store1 > 129.641 ))
6 0.1 0.1 peak 6 volume 1282.03638 ppm1 8.005 ppm2 8.004
 
! ############### N15_CNnoesy.7 NOT folded
assi (attr store1 < 7.888 and attr store1 > 7.788 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 130.444  and attr store1 > 129.644 ))
6 0.1 0.1 peak 7 volume 45.70192 ppm1 8.005 ppm2 7.838
 
! ############### N15_CNnoesy.8 NOT folded
assi (attr store1 < 7.779 and attr store1 > 7.679 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 130.443  and attr store1 > 129.643 ))
6 0.1 0.1 peak 8 volume 29.92100 ppm1 8.005 ppm2 7.729
 
! ############### N15_CNnoesy.9 NOT folded
assi (attr store1 < 7.363 and attr store1 > 7.263 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 130.44  and attr store1 > 129.64 ))
6 0.1 0.1 peak 9 volume 13.59372 ppm1 8.005 ppm2 7.313
 
! ############### N15_CNnoesy.10 NOT folded
assi (attr store1 < 4.886 and attr store1 > 4.786 ) 
     ((attr store1 < 8.033 and attr store1 > 7.973 ) and bondedto
      (attr store1 < 130.438  and attr store1 > 129.638 ))
6 0.1 0.1 peak 10 volume 23.73865 ppm1 8.003 ppm2 4.836
 
! ############### N15_CNnoesy.11 NOT folded
assi (attr store1 < 4.473 and attr store1 > 4.373 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 130.439  and attr store1 > 129.639 ))
6 0.1 0.1 peak 11 volume 73.22536 ppm1 8.005 ppm2 4.423
 
! ############### N15_CNnoesy.12 NOT folded
assi (attr store1 < 4.319 and attr store1 > 4.219 ) 
     ((attr store1 < 8.031 and attr store1 > 7.971 ) and bondedto
      (attr store1 < 130.436  and attr store1 > 129.636 ))
6 0.1 0.1 peak 12 volume 20.04527 ppm1 8.001 ppm2 4.269
 
! ############### N15_CNnoesy.13 NOT folded
assi (attr store1 < 1.976 and attr store1 > 1.876 ) 
     ((attr store1 < 8.034 and attr store1 > 7.974 ) and bondedto
      (attr store1 < 130.423  and attr store1 > 129.623 ))
6 0.1 0.1 peak 13 volume 8.24653 ppm1 8.004 ppm2 1.926
 
! ############### N15_CNnoesy.14 NOT folded
assi (attr store1 < 1.714 and attr store1 > 1.614 ) 
     ((attr store1 < 8.035 and attr store1 > 7.975 ) and bondedto
      (attr store1 < 130.434  and attr store1 > 129.634 ))
6 0.1 0.1 peak 14 volume 56.80540 ppm1 8.005 ppm2 1.664
 
! ############### N15_CNnoesy.15 NOT folded
assi (attr store1 < 10.301 and attr store1 > 10.201 ) 
     ((attr store1 < 10.282 and attr store1 > 10.222 ) and bondedto
      (attr store1 < 129.856  and attr store1 > 129.056 ))
6 0.1 0.1 peak 15 volume 29.26925 ppm1 10.252 ppm2 10.251
 
! ############### N15_CNnoesy.16 NOT folded
assi (attr store1 < 7.644 and attr store1 > 7.544 ) 
     ((attr store1 < 10.283 and attr store1 > 10.223 ) and bondedto
      (attr store1 < 129.865  and attr store1 > 129.065 ))
6 0.1 0.1 peak 16 volume 9.54636 ppm1 10.253 ppm2 7.594
 
! ############### N15_CNnoesy.17 NOT folded
assi (attr store1 < 7.507 and attr store1 > 7.407 ) 
     ((attr store1 < 10.283 and attr store1 > 10.223 ) and bondedto
      (attr store1 < 129.84  and attr store1 > 129.04 ))
6 0.1 0.1 peak 17 volume 18.57221 ppm1 10.253 ppm2 7.457
 
! ############### N15_CNnoesy.18 NOT folded
assi (attr store1 < 5.057 and attr store1 > 4.957 ) 
     ((attr store1 < 10.282 and attr store1 > 10.222 ) and bondedto
      (attr store1 < 129.847  and attr store1 > 129.047 ))
6 0.1 0.1 peak 18 volume 6.36328 ppm1 10.252 ppm2 5.007
 
! ############### N15_CNnoesy.19 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 10.282 and attr store1 > 10.222 ) and bondedto
      (attr store1 < 129.863  and attr store1 > 129.063 ))
6 0.1 0.1 peak 19 volume 295.12036 ppm1 10.252 ppm2 4.840
 
! ############### N15_CNnoesy.20 NOT folded
assi (attr store1 < 8.09 and attr store1 > 7.99 ) 
     ((attr store1 < 8.059 and attr store1 > 7.999 ) and bondedto
      (attr store1 < 129.213  and attr store1 > 128.413 ))
6 0.1 0.1 peak 20 volume 22.18383 ppm1 8.029 ppm2 8.040
 
! ############### N15_CNnoesy.21 NOT folded
assi (attr store1 < 8.15 and attr store1 > 8.05 ) 
     ((attr store1 < 8.138 and attr store1 > 8.078 ) and bondedto
      (attr store1 < 129.094  and attr store1 > 128.294 ))
6 0.1 0.1 peak 21 volume 5.96415 ppm1 8.108 ppm2 8.100
 
! ############### N15_CNnoesy.22 NOT folded
assi (attr store1 < 8.085 and attr store1 > 7.985 ) 
     ((attr store1 < 8.071 and attr store1 > 8.011 ) and bondedto
      (attr store1 < 128.992  and attr store1 > 128.192 ))
6 0.1 0.1 peak 22 volume 23.99574 ppm1 8.041 ppm2 8.035
 
! ############### N15_CNnoesy.23 NOT folded
assi (attr store1 < 8.092 and attr store1 > 7.992 ) 
     ((attr store1 < 8.062 and attr store1 > 8.002 ) and bondedto
      (attr store1 < 128.662  and attr store1 > 127.862 ))
6 0.1 0.1 peak 23 volume 17.97139 ppm1 8.032 ppm2 8.042
 
! ############### N15_CNnoesy.24 NOT folded
assi (attr store1 < 7.847 and attr store1 > 7.747 ) 
     ((attr store1 < 7.829 and attr store1 > 7.769 ) and bondedto
      (attr store1 < 127.846  and attr store1 > 127.046 ))
6 0.1 0.1 peak 24 volume 27.54734 ppm1 7.799 ppm2 7.797
 
! ############### N15_CNnoesy.25 NOT folded
assi (attr store1 < 7.921 and attr store1 > 7.821 ) 
     ((attr store1 < 7.898 and attr store1 > 7.838 ) and bondedto
      (attr store1 < 127.772  and attr store1 > 126.972 ))
6 0.1 0.1 peak 25 volume 16.85667 ppm1 7.868 ppm2 7.871
 
! ############### N15_CNnoesy.26 NOT folded
assi (attr store1 < 9.629 and attr store1 > 9.529 ) 
     ((attr store1 < 9.609 and attr store1 > 9.549 ) and bondedto
      (attr store1 < 127.365  and attr store1 > 126.565 ))
6 0.1 0.1 peak 26 volume 261.66202 ppm1 9.579 ppm2 9.579
 
! ############### N15_CNnoesy.27 NOT folded
assi (attr store1 < 7.499 and attr store1 > 7.399 ) 
     ((attr store1 < 9.61 and attr store1 > 9.55 ) and bondedto
      (attr store1 < 127.371  and attr store1 > 126.571 ))
6 0.1 0.1 peak 27 volume 12.80423 ppm1 9.580 ppm2 7.449
 
! ############### N15_CNnoesy.28 NOT folded
assi (attr store1 < 4.698 and attr store1 > 4.598 ) 
     ((attr store1 < 9.609 and attr store1 > 9.549 ) and bondedto
      (attr store1 < 127.359  and attr store1 > 126.559 ))
6 0.1 0.1 peak 28 volume 75.48347 ppm1 9.579 ppm2 4.648
 
! ############### N15_CNnoesy.29 NOT folded
assi (attr store1 < 2.561 and attr store1 > 2.461 ) 
     ((attr store1 < 9.608 and attr store1 > 9.548 ) and bondedto
      (attr store1 < 127.377  and attr store1 > 126.577 ))
6 0.1 0.1 peak 29 volume 9.64613 ppm1 9.578 ppm2 2.511
 
! ############### N15_CNnoesy.30 NOT folded
assi (attr store1 < 1.942 and attr store1 > 1.842 ) 
     ((attr store1 < 9.609 and attr store1 > 9.549 ) and bondedto
      (attr store1 < 127.372  and attr store1 > 126.572 ))
6 0.1 0.1 peak 30 volume 57.01550 ppm1 9.579 ppm2 1.892
 
! ############### N15_CNnoesy.31 NOT folded
assi (attr store1 < 0.947 and attr store1 > 0.847 ) 
     ((attr store1 < 9.609 and attr store1 > 9.549 ) and bondedto
      (attr store1 < 127.364  and attr store1 > 126.564 ))
6 0.1 0.1 peak 31 volume 54.78337 ppm1 9.579 ppm2 0.897
 
! ############### N15_CNnoesy.32 NOT folded
assi (attr store1 < 9.773 and attr store1 > 9.673 ) 
     ((attr store1 < 9.608 and attr store1 > 9.548 ) and bondedto
      (attr store1 < 127.352  and attr store1 > 126.552 ))
6 0.1 0.1 peak 32 volume 10.03379 ppm1 9.578 ppm2 9.723
 
! ############### N15_CNnoesy.33 NOT folded
assi (attr store1 < 9.481 and attr store1 > 9.381 ) 
     ((attr store1 < 9.608 and attr store1 > 9.548 ) and bondedto
      (attr store1 < 127.329  and attr store1 > 126.529 ))
6 0.1 0.1 peak 33 volume 11.40937 ppm1 9.578 ppm2 9.431
 
! ############### N15_CNnoesy.34 NOT folded
assi (attr store1 < 4.243 and attr store1 > 4.143 ) 
     ((attr store1 < 9.609 and attr store1 > 9.549 ) and bondedto
      (attr store1 < 127.348  and attr store1 > 126.548 ))
6 0.1 0.1 peak 34 volume 16.24779 ppm1 9.579 ppm2 4.193
 
! ############### N15_CNnoesy.35 NOT folded
assi (attr store1 < 8.141 and attr store1 > 8.041 ) 
     ((attr store1 < 8.124 and attr store1 > 8.064 ) and bondedto
      (attr store1 < 127.263  and attr store1 > 126.463 ))
6 0.1 0.1 peak 35 volume 7.37496 ppm1 8.094 ppm2 8.091
 
! ############### N15_CNnoesy.36 NOT folded
assi (attr store1 < 8.015 and attr store1 > 7.915 ) 
     ((attr store1 < 7.995 and attr store1 > 7.935 ) and bondedto
      (attr store1 < 127.18  and attr store1 > 126.38 ))
6 0.1 0.1 peak 36 volume 155.12357 ppm1 7.965 ppm2 7.965
 
! ############### N15_CNnoesy.37 NOT folded
assi (attr store1 < 4.498 and attr store1 > 4.398 ) 
     ((attr store1 < 7.995 and attr store1 > 7.935 ) and bondedto
      (attr store1 < 127.179  and attr store1 > 126.379 ))
6 0.1 0.1 peak 37 volume 6.93457 ppm1 7.965 ppm2 4.448
 
! ############### N15_CNnoesy.38 NOT folded
assi (attr store1 < 7.401 and attr store1 > 7.301 ) 
     ((attr store1 < 7.379 and attr store1 > 7.319 ) and bondedto
      (attr store1 < 127.219  and attr store1 > 126.419 ))
6 0.1 0.1 peak 38 volume 7.48006 ppm1 7.349 ppm2 7.351
 
! ############### N15_CNnoesy.39 NOT folded
assi (attr store1 < 7.924 and attr store1 > 7.824 ) 
     ((attr store1 < 7.251 and attr store1 > 7.191 ) and bondedto
      (attr store1 < 127.184  and attr store1 > 126.384 ))
6 0.1 0.1 peak 39 volume 6.63431 ppm1 7.221 ppm2 7.874
 
! ############### N15_CNnoesy.40 NOT folded
assi (attr store1 < 7.544 and attr store1 > 7.444 ) 
     ((attr store1 < 7.252 and attr store1 > 7.192 ) and bondedto
      (attr store1 < 127.208  and attr store1 > 126.408 ))
6 0.1 0.1 peak 40 volume 44.51116 ppm1 7.222 ppm2 7.494
 
! ############### N15_CNnoesy.41 NOT folded
assi (attr store1 < 7.272 and attr store1 > 7.172 ) 
     ((attr store1 < 7.252 and attr store1 > 7.192 ) and bondedto
      (attr store1 < 127.206  and attr store1 > 126.406 ))
6 0.1 0.1 peak 41 volume 439.95657 ppm1 7.222 ppm2 7.222
 
! ############### N15_CNnoesy.42 NOT folded
assi (attr store1 < 7.109 and attr store1 > 7.009 ) 
     ((attr store1 < 7.253 and attr store1 > 7.193 ) and bondedto
      (attr store1 < 127.204  and attr store1 > 126.404 ))
6 0.1 0.1 peak 42 volume 15.18561 ppm1 7.223 ppm2 7.059
 
! ############### N15_CNnoesy.43 NOT folded
assi (attr store1 < 7.006 and attr store1 > 6.906 ) 
     ((attr store1 < 7.249 and attr store1 > 7.189 ) and bondedto
      (attr store1 < 127.191  and attr store1 > 126.391 ))
6 0.1 0.1 peak 43 volume 5.87085 ppm1 7.219 ppm2 6.956
 
! ############### N15_CNnoesy.44 NOT folded
assi (attr store1 < 4.888 and attr store1 > 4.788 ) 
     ((attr store1 < 7.25 and attr store1 > 7.19 ) and bondedto
      (attr store1 < 127.182  and attr store1 > 126.382 ))
6 0.1 0.1 peak 44 volume 7.24117 ppm1 7.220 ppm2 4.838
 
! ############### N15_CNnoesy.45 NOT folded
assi (attr store1 < 4.549 and attr store1 > 4.449 ) 
     ((attr store1 < 7.253 and attr store1 > 7.193 ) and bondedto
      (attr store1 < 127.186  and attr store1 > 126.386 ))
6 0.1 0.1 peak 45 volume 13.27316 ppm1 7.223 ppm2 4.499
 
! ############### N15_CNnoesy.46 NOT folded
assi (attr store1 < 4.153 and attr store1 > 4.053 ) 
     ((attr store1 < 7.253 and attr store1 > 7.193 ) and bondedto
      (attr store1 < 127.205  and attr store1 > 126.405 ))
6 0.1 0.1 peak 46 volume 33.53406 ppm1 7.223 ppm2 4.103
 
! ############### N15_CNnoesy.47 NOT folded
assi (attr store1 < 3.869 and attr store1 > 3.769 ) 
     ((attr store1 < 7.253 and attr store1 > 7.193 ) and bondedto
      (attr store1 < 127.221  and attr store1 > 126.421 ))
6 0.1 0.1 peak 47 volume 13.31679 ppm1 7.223 ppm2 3.819
 
! ############### N15_CNnoesy.48 NOT folded
assi (attr store1 < 2.346 and attr store1 > 2.246 ) 
     ((attr store1 < 7.253 and attr store1 > 7.193 ) and bondedto
      (attr store1 < 127.213  and attr store1 > 126.413 ))
6 0.1 0.1 peak 48 volume 9.48819 ppm1 7.223 ppm2 2.296
 
! ############### N15_CNnoesy.49 NOT folded
assi (attr store1 < 1.744 and attr store1 > 1.644 ) 
     ((attr store1 < 7.252 and attr store1 > 7.192 ) and bondedto
      (attr store1 < 127.207  and attr store1 > 126.407 ))
6 0.1 0.1 peak 49 volume 70.08248 ppm1 7.222 ppm2 1.694
 
! ############### N15_CNnoesy.50 NOT folded
assi (attr store1 < 1.425 and attr store1 > 1.325 ) 
     ((attr store1 < 7.251 and attr store1 > 7.191 ) and bondedto
      (attr store1 < 127.224  and attr store1 > 126.424 ))
6 0.1 0.1 peak 50 volume 9.19305 ppm1 7.221 ppm2 1.375
 
! ############### N15_CNnoesy.51 NOT folded
assi (attr store1 < 0.95 and attr store1 > 0.85 ) 
     ((attr store1 < 7.254 and attr store1 > 7.194 ) and bondedto
      (attr store1 < 127.182  and attr store1 > 126.382 ))
6 0.1 0.1 peak 51 volume 7.22761 ppm1 7.224 ppm2 0.900
 
! ############### N15_CNnoesy.52 NOT folded
assi (attr store1 < 0.799 and attr store1 > 0.699 ) 
     ((attr store1 < 7.252 and attr store1 > 7.192 ) and bondedto
      (attr store1 < 127.198  and attr store1 > 126.398 ))
6 0.1 0.1 peak 52 volume 31.54958 ppm1 7.222 ppm2 0.749
 
! ############### N15_CNnoesy.53 NOT folded
assi (attr store1 < 0.116 and attr store1 > 0.016 ) 
     ((attr store1 < 7.252 and attr store1 > 7.192 ) and bondedto
      (attr store1 < 127.202  and attr store1 > 126.402 ))
6 0.1 0.1 peak 53 volume 39.07074 ppm1 7.222 ppm2 0.066
 
! ############### N15_CNnoesy.54 NOT folded
assi (attr store1 < 9.44 and attr store1 > 9.34 ) 
     ((attr store1 < 9.421 and attr store1 > 9.361 ) and bondedto
      (attr store1 < 127.022  and attr store1 > 126.222 ))
6 0.1 0.1 peak 54 volume 23.37637 ppm1 9.391 ppm2 9.390
 
! ############### N15_CNnoesy.55 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 9.42 and attr store1 > 9.36 ) and bondedto
      (attr store1 < 127.014  and attr store1 > 126.214 ))
6 0.1 0.1 peak 55 volume 82.97814 ppm1 9.390 ppm2 4.840
 
! ############### N15_CNnoesy.56 NOT folded
assi (attr store1 < 4.554 and attr store1 > 4.454 ) 
     ((attr store1 < 9.42 and attr store1 > 9.36 ) and bondedto
      (attr store1 < 127.027  and attr store1 > 126.227 ))
6 0.1 0.1 peak 56 volume 7.27639 ppm1 9.390 ppm2 4.504
 
! ############### N15_CNnoesy.57 NOT folded
assi (attr store1 < 3.076 and attr store1 > 2.976 ) 
     ((attr store1 < 9.417 and attr store1 > 9.357 ) and bondedto
      (attr store1 < 127.037  and attr store1 > 126.237 ))
6 0.1 0.1 peak 57 volume 6.20199 ppm1 9.387 ppm2 3.026
 
! ############### N15_CNnoesy.58 NOT folded
assi (attr store1 < 8.713 and attr store1 > 8.613 ) 
     ((attr store1 < 9.422 and attr store1 > 9.362 ) and bondedto
      (attr store1 < 127.007  and attr store1 > 126.207 ))
6 0.1 0.1 peak 58 volume 7.17445 ppm1 9.392 ppm2 8.663
 
! ############### N15_CNnoesy.59 NOT folded
assi (attr store1 < 5.147 and attr store1 > 5.047 ) 
     ((attr store1 < 9.419 and attr store1 > 9.359 ) and bondedto
      (attr store1 < 127.007  and attr store1 > 126.207 ))
6 0.1 0.1 peak 59 volume 20.85340 ppm1 9.389 ppm2 5.097
 
! ############### N15_CNnoesy.60 NOT folded
assi (attr store1 < 2.709 and attr store1 > 2.609 ) 
     ((attr store1 < 9.418 and attr store1 > 9.358 ) and bondedto
      (attr store1 < 126.972  and attr store1 > 126.172 ))
6 0.1 0.1 peak 60 volume 7.38748 ppm1 9.388 ppm2 2.659
 
! ############### N15_CNnoesy.61 NOT folded
assi (attr store1 < 8.387 and attr store1 > 8.287 ) 
     ((attr store1 < 8.373 and attr store1 > 8.313 ) and bondedto
      (attr store1 < 126.564  and attr store1 > 125.764 ))
6 0.1 0.1 peak 61 volume 8.88185 ppm1 8.343 ppm2 8.337
 
! ############### N15_CNnoesy.62 NOT folded
assi (attr store1 < 4.891 and attr store1 > 4.791 ) 
     ((attr store1 < 8.428 and attr store1 > 8.368 ) and bondedto
      (attr store1 < 126.206  and attr store1 > 125.406 ))
6 0.1 0.1 peak 62 volume 133.27991 ppm1 8.398 ppm2 4.841
 
! ############### N15_CNnoesy.63 NOT folded
assi (attr store1 < 8.35 and attr store1 > 8.25 ) 
     ((attr store1 < 8.33 and attr store1 > 8.27 ) and bondedto
      (attr store1 < 126.216  and attr store1 > 125.416 ))
6 0.1 0.1 peak 63 volume 6.07892 ppm1 8.300 ppm2 8.300
 
! ############### N15_CNnoesy.64 NOT folded
assi (attr store1 < 4.887 and attr store1 > 4.787 ) 
     ((attr store1 < 8.333 and attr store1 > 8.273 ) and bondedto
      (attr store1 < 126.29  and attr store1 > 125.49 ))
6 0.1 0.1 peak 64 volume 17.48787 ppm1 8.303 ppm2 4.837
 
! ############### N15_CNnoesy.65 NOT folded
assi (attr store1 < 8.198 and attr store1 > 8.098 ) 
     ((attr store1 < 8.175 and attr store1 > 8.115 ) and bondedto
      (attr store1 < 126.23  and attr store1 > 125.43 ))
6 0.1 0.1 peak 65 volume 8.53923 ppm1 8.145 ppm2 8.148
 
! ############### N15_CNnoesy.66 NOT folded
assi (attr store1 < 4.874 and attr store1 > 4.774 ) 
     ((attr store1 < 8.166 and attr store1 > 8.106 ) and bondedto
      (attr store1 < 126.129  and attr store1 > 125.329 ))
6 0.1 0.1 peak 66 volume 8.33732 ppm1 8.136 ppm2 4.824
 
! ############### N15_CNnoesy.67 NOT folded
assi (attr store1 < 8.284 and attr store1 > 8.184 ) 
     ((attr store1 < 8.282 and attr store1 > 8.222 ) and bondedto
      (attr store1 < 125.408  and attr store1 > 124.608 ))
6 0.1 0.1 peak 67 volume 5.84068 ppm1 8.252 ppm2 8.234
 
! ############### N15_CNnoesy.68 NOT folded
assi (attr store1 < 4.885 and attr store1 > 4.785 ) 
     ((attr store1 < 8.285 and attr store1 > 8.225 ) and bondedto
      (attr store1 < 125.306  and attr store1 > 124.506 ))
6 0.1 0.1 peak 68 volume 6.37077 ppm1 8.255 ppm2 4.835
 
! ############### N15_CNnoesy.69 NOT folded
assi (attr store1 < 8.716 and attr store1 > 8.616 ) 
     ((attr store1 < 7.663 and attr store1 > 7.603 ) and bondedto
      (attr store1 < 125.322  and attr store1 > 124.522 ))
6 0.1 0.1 peak 69 volume 19.42101 ppm1 7.633 ppm2 8.666
 
! ############### N15_CNnoesy.70 NOT folded
assi (attr store1 < 7.683 and attr store1 > 7.583 ) 
     ((attr store1 < 7.663 and attr store1 > 7.603 ) and bondedto
      (attr store1 < 125.325  and attr store1 > 124.525 ))
6 0.1 0.1 peak 70 volume 254.75987 ppm1 7.633 ppm2 7.633
 
! ############### N15_CNnoesy.71 NOT folded
assi (attr store1 < 5.515 and attr store1 > 5.415 ) 
     ((attr store1 < 7.664 and attr store1 > 7.604 ) and bondedto
      (attr store1 < 125.329  and attr store1 > 124.529 ))
6 0.1 0.1 peak 71 volume 15.85019 ppm1 7.634 ppm2 5.465
 
! ############### N15_CNnoesy.72 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.662 and attr store1 > 7.602 ) and bondedto
      (attr store1 < 125.326  and attr store1 > 124.526 ))
6 0.1 0.1 peak 72 volume 43.46346 ppm1 7.632 ppm2 4.839
 
! ############### N15_CNnoesy.73 NOT folded
assi (attr store1 < 4.592 and attr store1 > 4.492 ) 
     ((attr store1 < 7.663 and attr store1 > 7.603 ) and bondedto
      (attr store1 < 125.335  and attr store1 > 124.535 ))
6 0.1 0.1 peak 73 volume 27.55350 ppm1 7.633 ppm2 4.542
 
! ############### N15_CNnoesy.74 NOT folded
assi (attr store1 < 1.932 and attr store1 > 1.832 ) 
     ((attr store1 < 7.663 and attr store1 > 7.603 ) and bondedto
      (attr store1 < 125.32  and attr store1 > 124.52 ))
6 0.1 0.1 peak 74 volume 39.56508 ppm1 7.633 ppm2 1.882
 
! ############### N15_CNnoesy.75 NOT folded
assi (attr store1 < 1.748 and attr store1 > 1.648 ) 
     ((attr store1 < 7.663 and attr store1 > 7.603 ) and bondedto
      (attr store1 < 125.321  and attr store1 > 124.521 ))
6 0.1 0.1 peak 75 volume 58.31119 ppm1 7.633 ppm2 1.698
 
! ############### N15_CNnoesy.76 NOT folded
assi (attr store1 < 1.09 and attr store1 > 0.99 ) 
     ((attr store1 < 7.663 and attr store1 > 7.603 ) and bondedto
      (attr store1 < 125.315  and attr store1 > 124.515 ))
6 0.1 0.1 peak 76 volume 15.98469 ppm1 7.633 ppm2 1.040
 
! ############### N15_CNnoesy.77 NOT folded
assi (attr store1 < 9.132 and attr store1 > 9.032 ) 
     ((attr store1 < 7.661 and attr store1 > 7.601 ) and bondedto
      (attr store1 < 125.305  and attr store1 > 124.505 ))
6 0.1 0.1 peak 77 volume 5.70018 ppm1 7.631 ppm2 9.082
 
! ############### N15_CNnoesy.78 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 8.386 and attr store1 > 8.326 ) and bondedto
      (attr store1 < 124.736  and attr store1 > 123.936 ))
6 0.1 0.1 peak 78 volume 16.12562 ppm1 8.356 ppm2 4.839
 
! ############### N15_CNnoesy.79 NOT folded
assi (attr store1 < 8.394 and attr store1 > 8.294 ) 
     ((attr store1 < 8.368 and attr store1 > 8.308 ) and bondedto
      (attr store1 < 124.774  and attr store1 > 123.974 ))
6 0.1 0.1 peak 79 volume 7.45516 ppm1 8.338 ppm2 8.344
 
! ############### N15_CNnoesy.80 NOT folded
assi (attr store1 < 8.701 and attr store1 > 8.601 ) 
     ((attr store1 < 7.618 and attr store1 > 7.558 ) and bondedto
      (attr store1 < 124.661  and attr store1 > 123.861 ))
6 0.1 0.1 peak 80 volume 6.02765 ppm1 7.588 ppm2 8.651
 
! ############### N15_CNnoesy.81 NOT folded
assi (attr store1 < 7.908 and attr store1 > 7.808 ) 
     ((attr store1 < 7.618 and attr store1 > 7.558 ) and bondedto
      (attr store1 < 124.667  and attr store1 > 123.867 ))
6 0.1 0.1 peak 81 volume 6.69818 ppm1 7.588 ppm2 7.858
 
! ############### N15_CNnoesy.82 NOT folded
assi (attr store1 < 7.64 and attr store1 > 7.54 ) 
     ((attr store1 < 7.619 and attr store1 > 7.559 ) and bondedto
      (attr store1 < 124.658  and attr store1 > 123.858 ))
6 0.1 0.1 peak 82 volume 421.08600 ppm1 7.589 ppm2 7.590
 
! ############### N15_CNnoesy.83 NOT folded
assi (attr store1 < 7.464 and attr store1 > 7.364 ) 
     ((attr store1 < 7.619 and attr store1 > 7.559 ) and bondedto
      (attr store1 < 124.656  and attr store1 > 123.856 ))
6 0.1 0.1 peak 83 volume 61.57542 ppm1 7.589 ppm2 7.414
 
! ############### N15_CNnoesy.84 NOT folded
assi (attr store1 < 4.908 and attr store1 > 4.808 ) 
     ((attr store1 < 7.62 and attr store1 > 7.56 ) and bondedto
      (attr store1 < 124.664  and attr store1 > 123.864 ))
6 0.1 0.1 peak 84 volume 50.20293 ppm1 7.590 ppm2 4.858
 
! ############### N15_CNnoesy.85 NOT folded
assi (attr store1 < 4.754 and attr store1 > 4.654 ) 
     ((attr store1 < 7.618 and attr store1 > 7.558 ) and bondedto
      (attr store1 < 124.66  and attr store1 > 123.86 ))
6 0.1 0.1 peak 85 volume 16.99764 ppm1 7.588 ppm2 4.704
 
! ############### N15_CNnoesy.86 NOT folded
assi (attr store1 < 4.152 and attr store1 > 4.052 ) 
     ((attr store1 < 7.619 and attr store1 > 7.559 ) and bondedto
      (attr store1 < 124.666  and attr store1 > 123.866 ))
6 0.1 0.1 peak 86 volume 26.96920 ppm1 7.589 ppm2 4.102
 
! ############### N15_CNnoesy.87 NOT folded
assi (attr store1 < 3.682 and attr store1 > 3.582 ) 
     ((attr store1 < 7.619 and attr store1 > 7.559 ) and bondedto
      (attr store1 < 124.668  and attr store1 > 123.868 ))
6 0.1 0.1 peak 87 volume 65.23309 ppm1 7.589 ppm2 3.632
 
! ############### N15_CNnoesy.88 NOT folded
assi (attr store1 < 3.055 and attr store1 > 2.955 ) 
     ((attr store1 < 7.619 and attr store1 > 7.559 ) and bondedto
      (attr store1 < 124.662  and attr store1 > 123.862 ))
6 0.1 0.1 peak 88 volume 51.78706 ppm1 7.589 ppm2 3.005
 
! ############### N15_CNnoesy.89 NOT folded
assi (attr store1 < 0.823 and attr store1 > 0.723 ) 
     ((attr store1 < 7.62 and attr store1 > 7.56 ) and bondedto
      (attr store1 < 124.672  and attr store1 > 123.872 ))
6 0.1 0.1 peak 89 volume 9.35989 ppm1 7.590 ppm2 0.773
 
! ############### N15_CNnoesy.90 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 9.579 and attr store1 > 9.519 ) and bondedto
      (attr store1 < 124.263  and attr store1 > 123.463 ))
6 0.1 0.1 peak 90 volume 90.30916 ppm1 9.549 ppm2 4.839
 
! ############### N15_CNnoesy.91 NOT folded
assi (attr store1 < 5.045 and attr store1 > 4.945 ) 
     ((attr store1 < 9.575 and attr store1 > 9.515 ) and bondedto
      (attr store1 < 124.234  and attr store1 > 123.434 ))
6 0.1 0.1 peak 91 volume 7.63253 ppm1 9.545 ppm2 4.995
 
! ############### N15_CNnoesy.92 NOT folded
assi (attr store1 < 4.1 and attr store1 > 4.0 ) 
     ((attr store1 < 9.573 and attr store1 > 9.513 ) and bondedto
      (attr store1 < 124.211  and attr store1 > 123.411 ))
6 0.1 0.1 peak 92 volume 6.02834 ppm1 9.543 ppm2 4.050
 
! ############### N15_CNnoesy.93 NOT folded
assi (attr store1 < 8.439 and attr store1 > 8.339 ) 
     ((attr store1 < 8.424 and attr store1 > 8.364 ) and bondedto
      (attr store1 < 124.16  and attr store1 > 123.36 ))
6 0.1 0.1 peak 93 volume 9.64717 ppm1 8.394 ppm2 8.389
 
! ############### N15_CNnoesy.94 NOT folded
assi (attr store1 < 8.085 and attr store1 > 7.985 ) 
     ((attr store1 < 8.059 and attr store1 > 7.999 ) and bondedto
      (attr store1 < 124.221  and attr store1 > 123.421 ))
6 0.1 0.1 peak 94 volume 12.09317 ppm1 8.029 ppm2 8.035
 
! ############### N15_CNnoesy.95 NOT folded
assi (attr store1 < 8.367 and attr store1 > 8.267 ) 
     ((attr store1 < 8.34 and attr store1 > 8.28 ) and bondedto
      (attr store1 < 123.926  and attr store1 > 123.126 ))
6 0.1 0.1 peak 95 volume 11.19179 ppm1 8.310 ppm2 8.317
 
! ############### N15_CNnoesy.96 NOT folded
assi (attr store1 < 2.198 and attr store1 > 2.098 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 123.777  and attr store1 > 122.977 ))
6 0.1 0.1 peak 96 volume 19.62751 ppm1 8.659 ppm2 2.148
 
! ############### N15_CNnoesy.97 NOT folded
assi (attr store1 < 1.577 and attr store1 > 1.477 ) 
     ((attr store1 < 8.687 and attr store1 > 8.627 ) and bondedto
      (attr store1 < 123.783  and attr store1 > 122.983 ))
6 0.1 0.1 peak 97 volume 6.21848 ppm1 8.657 ppm2 1.527
 
! ############### N15_CNnoesy.98 NOT folded
assi (attr store1 < 4.445 and attr store1 > 4.345 ) 
     ((attr store1 < 8.383 and attr store1 > 8.323 ) and bondedto
      (attr store1 < 123.832  and attr store1 > 123.032 ))
6 0.1 0.1 peak 98 volume 9.60957 ppm1 8.353 ppm2 4.395
 
! ############### N15_CNnoesy.99 NOT folded
assi (attr store1 < 8.87 and attr store1 > 8.77 ) 
     ((attr store1 < 8.688 and attr store1 > 8.628 ) and bondedto
      (attr store1 < 123.737  and attr store1 > 122.937 ))
6 0.1 0.1 peak 99 volume 16.77050 ppm1 8.658 ppm2 8.820
 
! ############### N15_CNnoesy.100 NOT folded
assi (attr store1 < 8.709 and attr store1 > 8.609 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 123.723  and attr store1 > 122.923 ))
6 0.1 0.1 peak 100 volume 521.63214 ppm1 8.659 ppm2 8.659
 
! ############### N15_CNnoesy.101 NOT folded
assi (attr store1 < 8.545 and attr store1 > 8.445 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 123.703  and attr store1 > 122.903 ))
6 0.1 0.1 peak 101 volume 14.99816 ppm1 8.659 ppm2 8.495
 
! ############### N15_CNnoesy.102 NOT folded
assi (attr store1 < 8.45 and attr store1 > 8.35 ) 
     ((attr store1 < 8.687 and attr store1 > 8.627 ) and bondedto
      (attr store1 < 123.716  and attr store1 > 122.916 ))
6 0.1 0.1 peak 102 volume 8.48307 ppm1 8.657 ppm2 8.400
 
! ############### N15_CNnoesy.103 NOT folded
assi (attr store1 < 8.14 and attr store1 > 8.04 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 123.714  and attr store1 > 122.914 ))
6 0.1 0.1 peak 103 volume 44.15257 ppm1 8.659 ppm2 8.090
 
! ############### N15_CNnoesy.104 NOT folded
assi (attr store1 < 7.73 and attr store1 > 7.63 ) 
     ((attr store1 < 8.688 and attr store1 > 8.628 ) and bondedto
      (attr store1 < 123.73  and attr store1 > 122.93 ))
6 0.1 0.1 peak 104 volume 6.83913 ppm1 8.658 ppm2 7.680
 
! ############### N15_CNnoesy.105 NOT folded
assi (attr store1 < 4.892 and attr store1 > 4.792 ) 
     ((attr store1 < 8.688 and attr store1 > 8.628 ) and bondedto
      (attr store1 < 123.752  and attr store1 > 122.952 ))
6 0.1 0.1 peak 105 volume 18.05984 ppm1 8.658 ppm2 4.842
 
! ############### N15_CNnoesy.106 NOT folded
assi (attr store1 < 4.618 and attr store1 > 4.518 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 123.74  and attr store1 > 122.94 ))
6 0.1 0.1 peak 106 volume 10.54814 ppm1 8.659 ppm2 4.568
 
! ############### N15_CNnoesy.107 NOT folded
assi (attr store1 < 4.359 and attr store1 > 4.259 ) 
     ((attr store1 < 8.686 and attr store1 > 8.626 ) and bondedto
      (attr store1 < 123.704  and attr store1 > 122.904 ))
6 0.1 0.1 peak 107 volume 7.86369 ppm1 8.656 ppm2 4.309
 
! ############### N15_CNnoesy.108 NOT folded
assi (attr store1 < 4.145 and attr store1 > 4.045 ) 
     ((attr store1 < 8.687 and attr store1 > 8.627 ) and bondedto
      (attr store1 < 123.707  and attr store1 > 122.907 ))
6 0.1 0.1 peak 108 volume 20.95275 ppm1 8.657 ppm2 4.095
 
! ############### N15_CNnoesy.109 NOT folded
assi (attr store1 < 3.883 and attr store1 > 3.783 ) 
     ((attr store1 < 8.688 and attr store1 > 8.628 ) and bondedto
      (attr store1 < 123.738  and attr store1 > 122.938 ))
6 0.1 0.1 peak 109 volume 33.70895 ppm1 8.658 ppm2 3.833
 
! ############### N15_CNnoesy.110 NOT folded
assi (attr store1 < 2.443 and attr store1 > 2.343 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 123.757  and attr store1 > 122.957 ))
6 0.1 0.1 peak 110 volume 7.10289 ppm1 8.659 ppm2 2.393
 
! ############### N15_CNnoesy.111 NOT folded
assi (attr store1 < 1.984 and attr store1 > 1.884 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 123.737  and attr store1 > 122.937 ))
6 0.1 0.1 peak 111 volume 25.36949 ppm1 8.659 ppm2 1.934
 
! ############### N15_CNnoesy.112 NOT folded
assi (attr store1 < 1.415 and attr store1 > 1.315 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 123.723  and attr store1 > 122.923 ))
6 0.1 0.1 peak 112 volume 105.57559 ppm1 8.659 ppm2 1.365
 
! ############### N15_CNnoesy.113 NOT folded
assi (attr store1 < 0.813 and attr store1 > 0.713 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 123.729  and attr store1 > 122.929 ))
6 0.1 0.1 peak 113 volume 41.13293 ppm1 8.659 ppm2 0.763
 
! ############### N15_CNnoesy.114 NOT folded
assi (attr store1 < 8.409 and attr store1 > 8.309 ) 
     ((attr store1 < 8.392 and attr store1 > 8.332 ) and bondedto
      (attr store1 < 123.716  and attr store1 > 122.916 ))
6 0.1 0.1 peak 114 volume 11.96908 ppm1 8.362 ppm2 8.359
 
! ############### N15_CNnoesy.115 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 8.392 and attr store1 > 8.332 ) and bondedto
      (attr store1 < 123.761  and attr store1 > 122.961 ))
6 0.1 0.1 peak 115 volume 181.47150 ppm1 8.362 ppm2 4.840
 
! ############### N15_CNnoesy.116 NOT folded
assi (attr store1 < 7.872 and attr store1 > 7.772 ) 
     ((attr store1 < 7.853 and attr store1 > 7.793 ) and bondedto
      (attr store1 < 123.721  and attr store1 > 122.921 ))
6 0.1 0.1 peak 116 volume 244.36118 ppm1 7.823 ppm2 7.822
 
! ############### N15_CNnoesy.117 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.852 and attr store1 > 7.792 ) and bondedto
      (attr store1 < 123.696  and attr store1 > 122.896 ))
6 0.1 0.1 peak 117 volume 28.29885 ppm1 7.822 ppm2 4.839
 
! ############### N15_CNnoesy.118 NOT folded
assi (attr store1 < 4.711 and attr store1 > 4.611 ) 
     ((attr store1 < 7.849 and attr store1 > 7.789 ) and bondedto
      (attr store1 < 123.698  and attr store1 > 122.898 ))
6 0.1 0.1 peak 118 volume 9.25253 ppm1 7.819 ppm2 4.661
 
! ############### N15_CNnoesy.119 NOT folded
assi (attr store1 < 4.536 and attr store1 > 4.436 ) 
     ((attr store1 < 7.85 and attr store1 > 7.79 ) and bondedto
      (attr store1 < 123.697  and attr store1 > 122.897 ))
6 0.1 0.1 peak 119 volume 6.98603 ppm1 7.820 ppm2 4.486
 
! ############### N15_CNnoesy.120 NOT folded
assi (attr store1 < 5.059 and attr store1 > 4.959 ) 
     ((attr store1 < 8.041 and attr store1 > 7.981 ) and bondedto
      (attr store1 < 123.336  and attr store1 > 122.536 ))
6 0.1 0.1 peak 120 volume 21.37255 ppm1 8.011 ppm2 5.009
 
! ############### N15_CNnoesy.121 NOT folded
assi (attr store1 < 4.892 and attr store1 > 4.792 ) 
     ((attr store1 < 8.042 and attr store1 > 7.982 ) and bondedto
      (attr store1 < 123.331  and attr store1 > 122.531 ))
6 0.1 0.1 peak 121 volume 166.41406 ppm1 8.012 ppm2 4.842
 
! ############### N15_CNnoesy.122 NOT folded
assi (attr store1 < 1.854 and attr store1 > 1.754 ) 
     ((attr store1 < 8.046 and attr store1 > 7.986 ) and bondedto
      (attr store1 < 123.264  and attr store1 > 122.464 ))
6 0.1 0.1 peak 122 volume 20.43697 ppm1 8.016 ppm2 1.804
 
! ############### N15_CNnoesy.123 NOT folded
assi (attr store1 < 1.347 and attr store1 > 1.247 ) 
     ((attr store1 < 8.044 and attr store1 > 7.984 ) and bondedto
      (attr store1 < 123.272  and attr store1 > 122.472 ))
6 0.1 0.1 peak 123 volume 9.12567 ppm1 8.014 ppm2 1.297
 
! ############### N15_CNnoesy.124 NOT folded
assi (attr store1 < 4.895 and attr store1 > 4.795 ) 
     ((attr store1 < 7.916 and attr store1 > 7.856 ) and bondedto
      (attr store1 < 123.278  and attr store1 > 122.478 ))
6 0.1 0.1 peak 124 volume 5.55715 ppm1 7.886 ppm2 4.845
 
! ############### N15_CNnoesy.125 NOT folded
assi (attr store1 < 4.887 and attr store1 > 4.787 ) 
     ((attr store1 < 8.214 and attr store1 > 8.154 ) and bondedto
      (attr store1 < 123.135  and attr store1 > 122.335 ))
6 0.1 0.1 peak 125 volume 31.94089 ppm1 8.184 ppm2 4.837
 
! ############### N15_CNnoesy.126 NOT folded
assi (attr store1 < 8.462 and attr store1 > 8.362 ) 
     ((attr store1 < 8.051 and attr store1 > 7.991 ) and bondedto
      (attr store1 < 123.092  and attr store1 > 122.292 ))
6 0.1 0.1 peak 126 volume 36.25686 ppm1 8.021 ppm2 8.412
 
! ############### N15_CNnoesy.127 NOT folded
assi (attr store1 < 4.518 and attr store1 > 4.418 ) 
     ((attr store1 < 8.051 and attr store1 > 7.991 ) and bondedto
      (attr store1 < 123.102  and attr store1 > 122.302 ))
6 0.1 0.1 peak 127 volume 12.04085 ppm1 8.021 ppm2 4.468
 
! ############### N15_CNnoesy.128 NOT folded
assi (attr store1 < 2.978 and attr store1 > 2.878 ) 
     ((attr store1 < 8.052 and attr store1 > 7.992 ) and bondedto
      (attr store1 < 123.101  and attr store1 > 122.301 ))
6 0.1 0.1 peak 128 volume 49.50977 ppm1 8.022 ppm2 2.928
 
! ############### N15_CNnoesy.129 NOT folded
assi (attr store1 < 1.616 and attr store1 > 1.516 ) 
     ((attr store1 < 8.051 and attr store1 > 7.991 ) and bondedto
      (attr store1 < 123.105  and attr store1 > 122.305 ))
6 0.1 0.1 peak 129 volume 112.05650 ppm1 8.021 ppm2 1.566
 
! ############### N15_CNnoesy.130 NOT folded
assi (attr store1 < 8.733 and attr store1 > 8.633 ) 
     ((attr store1 < 8.057 and attr store1 > 7.997 ) and bondedto
      (attr store1 < 123.013  and attr store1 > 122.213 ))
6 0.1 0.1 peak 130 volume 16.56460 ppm1 8.027 ppm2 8.683
 
! ############### N15_CNnoesy.131 NOT folded
assi (attr store1 < 7.917 and attr store1 > 7.817 ) 
     ((attr store1 < 8.059 and attr store1 > 7.999 ) and bondedto
      (attr store1 < 122.966  and attr store1 > 122.166 ))
6 0.1 0.1 peak 131 volume 33.61073 ppm1 8.029 ppm2 7.867
 
! ############### N15_CNnoesy.132 NOT folded
assi (attr store1 < 4.114 and attr store1 > 4.014 ) 
     ((attr store1 < 8.057 and attr store1 > 7.997 ) and bondedto
      (attr store1 < 123.025  and attr store1 > 122.225 ))
6 0.1 0.1 peak 132 volume 32.31678 ppm1 8.027 ppm2 4.064
 
! ############### N15_CNnoesy.133 NOT folded
assi (attr store1 < 0.816 and attr store1 > 0.716 ) 
     ((attr store1 < 8.056 and attr store1 > 7.996 ) and bondedto
      (attr store1 < 123.015  and attr store1 > 122.215 ))
6 0.1 0.1 peak 133 volume 15.52768 ppm1 8.026 ppm2 0.766
 
! ############### N15_CNnoesy.134 NOT folded
assi (attr store1 < 8.743 and attr store1 > 8.643 ) 
     ((attr store1 < 7.767 and attr store1 > 7.707 ) and bondedto
      (attr store1 < 122.993  and attr store1 > 122.193 ))
6 0.1 0.1 peak 134 volume 38.83809 ppm1 7.737 ppm2 8.693
 
! ############### N15_CNnoesy.135 NOT folded
assi (attr store1 < 8.46 and attr store1 > 8.36 ) 
     ((attr store1 < 7.767 and attr store1 > 7.707 ) and bondedto
      (attr store1 < 122.996  and attr store1 > 122.196 ))
6 0.1 0.1 peak 135 volume 40.98112 ppm1 7.737 ppm2 8.410
 
! ############### N15_CNnoesy.136 NOT folded
assi (attr store1 < 8.063 and attr store1 > 7.963 ) 
     ((attr store1 < 7.767 and attr store1 > 7.707 ) and bondedto
      (attr store1 < 123.007  and attr store1 > 122.207 ))
6 0.1 0.1 peak 136 volume 21.02581 ppm1 7.737 ppm2 8.013
 
! ############### N15_CNnoesy.137 NOT folded
assi (attr store1 < 7.788 and attr store1 > 7.688 ) 
     ((attr store1 < 7.767 and attr store1 > 7.707 ) and bondedto
      (attr store1 < 122.992  and attr store1 > 122.192 ))
6 0.1 0.1 peak 137 volume 527.04297 ppm1 7.737 ppm2 7.738
 
! ############### N15_CNnoesy.138 NOT folded
assi (attr store1 < 7.623 and attr store1 > 7.523 ) 
     ((attr store1 < 7.767 and attr store1 > 7.707 ) and bondedto
      (attr store1 < 122.986  and attr store1 > 122.186 ))
6 0.1 0.1 peak 138 volume 18.53899 ppm1 7.737 ppm2 7.573
 
! ############### N15_CNnoesy.139 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.767 and attr store1 > 7.707 ) and bondedto
      (attr store1 < 123.009  and attr store1 > 122.209 ))
6 0.1 0.1 peak 139 volume 13.78329 ppm1 7.737 ppm2 4.839
 
! ############### N15_CNnoesy.140 NOT folded
assi (attr store1 < 4.241 and attr store1 > 4.141 ) 
     ((attr store1 < 7.768 and attr store1 > 7.708 ) and bondedto
      (attr store1 < 122.983  and attr store1 > 122.183 ))
6 0.1 0.1 peak 140 volume 29.72277 ppm1 7.738 ppm2 4.191
 
! ############### N15_CNnoesy.141 NOT folded
assi (attr store1 < 4.112 and attr store1 > 4.012 ) 
     ((attr store1 < 7.767 and attr store1 > 7.707 ) and bondedto
      (attr store1 < 123.0  and attr store1 > 122.2 ))
6 0.1 0.1 peak 141 volume 40.16936 ppm1 7.737 ppm2 4.062
 
! ############### N15_CNnoesy.142 NOT folded
assi (attr store1 < 2.076 and attr store1 > 1.976 ) 
     ((attr store1 < 7.768 and attr store1 > 7.708 ) and bondedto
      (attr store1 < 122.991  and attr store1 > 122.191 ))
6 0.1 0.1 peak 142 volume 56.52618 ppm1 7.738 ppm2 2.026
 
! ############### N15_CNnoesy.143 NOT folded
assi (attr store1 < 1.576 and attr store1 > 1.476 ) 
     ((attr store1 < 7.767 and attr store1 > 7.707 ) and bondedto
      (attr store1 < 122.994  and attr store1 > 122.194 ))
6 0.1 0.1 peak 143 volume 104.04608 ppm1 7.737 ppm2 1.526
 
! ############### N15_CNnoesy.144 NOT folded
assi (attr store1 < 0.943 and attr store1 > 0.843 ) 
     ((attr store1 < 7.768 and attr store1 > 7.708 ) and bondedto
      (attr store1 < 122.984  and attr store1 > 122.184 ))
6 0.1 0.1 peak 144 volume 9.92537 ppm1 7.738 ppm2 0.893
 
! ############### N15_CNnoesy.145 NOT folded
assi (attr store1 < 7.953 and attr store1 > 7.853 ) 
     ((attr store1 < 7.766 and attr store1 > 7.706 ) and bondedto
      (attr store1 < 123.0  and attr store1 > 122.2 ))
6 0.1 0.1 peak 145 volume 20.28898 ppm1 7.736 ppm2 7.903
 
! ############### N15_CNnoesy.146 NOT folded
assi (attr store1 < 1.832 and attr store1 > 1.732 ) 
     ((attr store1 < 7.764 and attr store1 > 7.704 ) and bondedto
      (attr store1 < 123.005  and attr store1 > 122.205 ))
6 0.1 0.1 peak 146 volume 12.42103 ppm1 7.734 ppm2 1.782
 
! ############### N15_CNnoesy.147 NOT folded
assi (attr store1 < 0.827 and attr store1 > 0.727 ) 
     ((attr store1 < 7.765 and attr store1 > 7.705 ) and bondedto
      (attr store1 < 123.011  and attr store1 > 122.211 ))
6 0.1 0.1 peak 147 volume 10.24984 ppm1 7.735 ppm2 0.777
 
! ############### N15_CNnoesy.148 NOT folded
assi (attr store1 < 8.077 and attr store1 > 7.977 ) 
     ((attr store1 < 7.633 and attr store1 > 7.573 ) and bondedto
      (attr store1 < 122.98  and attr store1 > 122.18 ))
6 0.1 0.1 peak 148 volume 8.55320 ppm1 7.603 ppm2 8.027
 
! ############### N15_CNnoesy.149 NOT folded
assi (attr store1 < 4.892 and attr store1 > 4.792 ) 
     ((attr store1 < 8.501 and attr store1 > 8.441 ) and bondedto
      (attr store1 < 122.959  and attr store1 > 122.159 ))
6 0.1 0.1 peak 149 volume 18.85757 ppm1 8.471 ppm2 4.842
 
! ############### N15_CNnoesy.150 NOT folded
assi (attr store1 < 8.238 and attr store1 > 8.138 ) 
     ((attr store1 < 8.066 and attr store1 > 8.006 ) and bondedto
      (attr store1 < 122.887  and attr store1 > 122.087 ))
6 0.1 0.1 peak 150 volume 59.36006 ppm1 8.036 ppm2 8.188
 
! ############### N15_CNnoesy.151 NOT folded
assi (attr store1 < 8.083 and attr store1 > 7.983 ) 
     ((attr store1 < 8.061 and attr store1 > 8.001 ) and bondedto
      (attr store1 < 122.939  and attr store1 > 122.139 ))
6 0.1 0.1 peak 151 volume 914.28333 ppm1 8.031 ppm2 8.033
 
! ############### N15_CNnoesy.152 NOT folded
assi (attr store1 < 7.411 and attr store1 > 7.311 ) 
     ((attr store1 < 8.063 and attr store1 > 8.003 ) and bondedto
      (attr store1 < 122.946  and attr store1 > 122.146 ))
6 0.1 0.1 peak 152 volume 9.16694 ppm1 8.033 ppm2 7.361
 
! ############### N15_CNnoesy.153 NOT folded
assi (attr store1 < 4.251 and attr store1 > 4.151 ) 
     ((attr store1 < 8.063 and attr store1 > 8.003 ) and bondedto
      (attr store1 < 122.93  and attr store1 > 122.13 ))
6 0.1 0.1 peak 153 volume 53.21259 ppm1 8.033 ppm2 4.201
 
! ############### N15_CNnoesy.154 NOT folded
assi (attr store1 < 0.93 and attr store1 > 0.83 ) 
     ((attr store1 < 8.062 and attr store1 > 8.002 ) and bondedto
      (attr store1 < 122.899  and attr store1 > 122.099 ))
6 0.1 0.1 peak 154 volume 11.27387 ppm1 8.032 ppm2 0.880
 
! ############### N15_CNnoesy.155 NOT folded
assi (attr store1 < 8.522 and attr store1 > 8.422 ) 
     ((attr store1 < 8.503 and attr store1 > 8.443 ) and bondedto
      (attr store1 < 122.735  and attr store1 > 121.935 ))
6 0.1 0.1 peak 155 volume 481.93866 ppm1 8.473 ppm2 8.472
 
! ############### N15_CNnoesy.156 NOT folded
assi (attr store1 < 8.357 and attr store1 > 8.257 ) 
     ((attr store1 < 8.502 and attr store1 > 8.442 ) and bondedto
      (attr store1 < 122.73  and attr store1 > 121.93 ))
6 0.1 0.1 peak 156 volume 21.16090 ppm1 8.472 ppm2 8.307
 
! ############### N15_CNnoesy.157 NOT folded
assi (attr store1 < 8.073 and attr store1 > 7.973 ) 
     ((attr store1 < 8.501 and attr store1 > 8.441 ) and bondedto
      (attr store1 < 122.764  and attr store1 > 121.964 ))
6 0.1 0.1 peak 157 volume 12.25498 ppm1 8.471 ppm2 8.023
 
! ############### N15_CNnoesy.158 NOT folded
assi (attr store1 < 4.252 and attr store1 > 4.152 ) 
     ((attr store1 < 8.502 and attr store1 > 8.442 ) and bondedto
      (attr store1 < 122.73  and attr store1 > 121.93 ))
6 0.1 0.1 peak 158 volume 41.42223 ppm1 8.472 ppm2 4.202
 
! ############### N15_CNnoesy.159 NOT folded
assi (attr store1 < 2.403 and attr store1 > 2.303 ) 
     ((attr store1 < 8.503 and attr store1 > 8.443 ) and bondedto
      (attr store1 < 122.795  and attr store1 > 121.995 ))
6 0.1 0.1 peak 159 volume 8.31310 ppm1 8.473 ppm2 2.353
 
! ############### N15_CNnoesy.160 NOT folded
assi (attr store1 < 2.24 and attr store1 > 2.14 ) 
     ((attr store1 < 8.502 and attr store1 > 8.442 ) and bondedto
      (attr store1 < 122.736  and attr store1 > 121.936 ))
6 0.1 0.1 peak 160 volume 47.68330 ppm1 8.472 ppm2 2.190
 
! ############### N15_CNnoesy.161 NOT folded
assi (attr store1 < 2.903 and attr store1 > 2.803 ) 
     ((attr store1 < 8.358 and attr store1 > 8.298 ) and bondedto
      (attr store1 < 122.737  and attr store1 > 121.937 ))
6 0.1 0.1 peak 161 volume 8.32422 ppm1 8.328 ppm2 2.853
 
! ############### N15_CNnoesy.162 NOT folded
assi (attr store1 < 2.587 and attr store1 > 2.487 ) 
     ((attr store1 < 8.067 and attr store1 > 8.007 ) and bondedto
      (attr store1 < 122.823  and attr store1 > 122.023 ))
6 0.1 0.1 peak 162 volume 26.34523 ppm1 8.037 ppm2 2.537
 
! ############### N15_CNnoesy.163 NOT folded
assi (attr store1 < 2.418 and attr store1 > 2.318 ) 
     ((attr store1 < 8.067 and attr store1 > 8.007 ) and bondedto
      (attr store1 < 122.829  and attr store1 > 122.029 ))
6 0.1 0.1 peak 163 volume 106.92091 ppm1 8.037 ppm2 2.368
 
! ############### N15_CNnoesy.164 NOT folded
assi (attr store1 < 1.984 and attr store1 > 1.884 ) 
     ((attr store1 < 8.067 and attr store1 > 8.007 ) and bondedto
      (attr store1 < 122.828  and attr store1 > 122.028 ))
6 0.1 0.1 peak 164 volume 16.14659 ppm1 8.037 ppm2 1.934
 
! ############### N15_CNnoesy.165 NOT folded
assi (attr store1 < 1.153 and attr store1 > 1.053 ) 
     ((attr store1 < 8.067 and attr store1 > 8.007 ) and bondedto
      (attr store1 < 122.798  and attr store1 > 121.998 ))
6 0.1 0.1 peak 165 volume 18.37455 ppm1 8.037 ppm2 1.103
 
! ############### N15_CNnoesy.166 NOT folded
assi (attr store1 < 8.741 and attr store1 > 8.641 ) 
     ((attr store1 < 8.698 and attr store1 > 8.638 ) and bondedto
      (attr store1 < 122.664  and attr store1 > 121.864 ))
6 0.1 0.1 peak 166 volume 21.60311 ppm1 8.668 ppm2 8.691
 
! ############### N15_CNnoesy.167 NOT folded
assi (attr store1 < 8.691 and attr store1 > 8.591 ) 
     ((attr store1 < 8.502 and attr store1 > 8.442 ) and bondedto
      (attr store1 < 122.727  and attr store1 > 121.927 ))
6 0.1 0.1 peak 167 volume 49.94138 ppm1 8.472 ppm2 8.641
 
! ############### N15_CNnoesy.168 NOT folded
assi (attr store1 < 8.229 and attr store1 > 8.129 ) 
     ((attr store1 < 8.501 and attr store1 > 8.441 ) and bondedto
      (attr store1 < 122.723  and attr store1 > 121.923 ))
6 0.1 0.1 peak 168 volume 43.64429 ppm1 8.471 ppm2 8.179
 
! ############### N15_CNnoesy.169 NOT folded
assi (attr store1 < 4.087 and attr store1 > 3.987 ) 
     ((attr store1 < 8.503 and attr store1 > 8.443 ) and bondedto
      (attr store1 < 122.726  and attr store1 > 121.926 ))
6 0.1 0.1 peak 169 volume 24.52673 ppm1 8.473 ppm2 4.037
 
! ############### N15_CNnoesy.170 NOT folded
assi (attr store1 < 3.874 and attr store1 > 3.774 ) 
     ((attr store1 < 8.501 and attr store1 > 8.441 ) and bondedto
      (attr store1 < 122.717  and attr store1 > 121.917 ))
6 0.1 0.1 peak 170 volume 11.29766 ppm1 8.471 ppm2 3.824
 
! ############### N15_CNnoesy.171 NOT folded
assi (attr store1 < 2.047 and attr store1 > 1.947 ) 
     ((attr store1 < 8.502 and attr store1 > 8.442 ) and bondedto
      (attr store1 < 122.727  and attr store1 > 121.927 ))
6 0.1 0.1 peak 171 volume 64.67931 ppm1 8.472 ppm2 1.997
 
! ############### N15_CNnoesy.172 NOT folded
assi (attr store1 < 1.917 and attr store1 > 1.817 ) 
     ((attr store1 < 8.502 and attr store1 > 8.442 ) and bondedto
      (attr store1 < 122.726  and attr store1 > 121.926 ))
6 0.1 0.1 peak 172 volume 87.78948 ppm1 8.472 ppm2 1.867
 
! ############### N15_CNnoesy.173 NOT folded
assi (attr store1 < 1.087 and attr store1 > 0.987 ) 
     ((attr store1 < 8.502 and attr store1 > 8.442 ) and bondedto
      (attr store1 < 122.725  and attr store1 > 121.925 ))
6 0.1 0.1 peak 173 volume 40.37852 ppm1 8.472 ppm2 1.037
 
! ############### N15_CNnoesy.174 NOT folded
assi (attr store1 < 8.379 and attr store1 > 8.279 ) 
     ((attr store1 < 8.36 and attr store1 > 8.3 ) and bondedto
      (attr store1 < 122.669  and attr store1 > 121.869 ))
6 0.1 0.1 peak 174 volume 212.74762 ppm1 8.330 ppm2 8.329
 
! ############### N15_CNnoesy.175 NOT folded
assi (attr store1 < 4.265 and attr store1 > 4.165 ) 
     ((attr store1 < 8.362 and attr store1 > 8.302 ) and bondedto
      (attr store1 < 122.706  and attr store1 > 121.906 ))
6 0.1 0.1 peak 175 volume 33.32307 ppm1 8.332 ppm2 4.215
 
! ############### N15_CNnoesy.176 NOT folded
assi (attr store1 < 3.248 and attr store1 > 3.148 ) 
     ((attr store1 < 8.359 and attr store1 > 8.299 ) and bondedto
      (attr store1 < 122.7  and attr store1 > 121.9 ))
6 0.1 0.1 peak 176 volume 10.41014 ppm1 8.329 ppm2 3.198
 
! ############### N15_CNnoesy.177 NOT folded
assi (attr store1 < 2.076 and attr store1 > 1.976 ) 
     ((attr store1 < 8.364 and attr store1 > 8.304 ) and bondedto
      (attr store1 < 122.728  and attr store1 > 121.928 ))
6 0.1 0.1 peak 177 volume 6.52109 ppm1 8.334 ppm2 2.026
 
! ############### N15_CNnoesy.178 NOT folded
assi (attr store1 < 1.718 and attr store1 > 1.618 ) 
     ((attr store1 < 8.362 and attr store1 > 8.302 ) and bondedto
      (attr store1 < 122.68  and attr store1 > 121.88 ))
6 0.1 0.1 peak 178 volume 68.73070 ppm1 8.332 ppm2 1.668
 
! ############### N15_CNnoesy.179 NOT folded
assi (attr store1 < 5.066 and attr store1 > 4.966 ) 
     ((attr store1 < 8.329 and attr store1 > 8.269 ) and bondedto
      (attr store1 < 122.669  and attr store1 > 121.869 ))
6 0.1 0.1 peak 179 volume 10.61641 ppm1 8.299 ppm2 5.016
 
! ############### N15_CNnoesy.180 NOT folded
assi (attr store1 < 3.157 and attr store1 > 3.057 ) 
     ((attr store1 < 8.332 and attr store1 > 8.272 ) and bondedto
      (attr store1 < 122.671  and attr store1 > 121.871 ))
6 0.1 0.1 peak 180 volume 11.43805 ppm1 8.302 ppm2 3.107
 
! ############### N15_CNnoesy.181 NOT folded
assi (attr store1 < 2.677 and attr store1 > 2.577 ) 
     ((attr store1 < 8.329 and attr store1 > 8.269 ) and bondedto
      (attr store1 < 122.69  and attr store1 > 121.89 ))
6 0.1 0.1 peak 181 volume 12.52698 ppm1 8.299 ppm2 2.627
 
! ############### N15_CNnoesy.182 NOT folded
assi (attr store1 < 1.711 and attr store1 > 1.611 ) 
     ((attr store1 < 8.286 and attr store1 > 8.226 ) and bondedto
      (attr store1 < 122.652  and attr store1 > 121.852 ))
6 0.1 0.1 peak 182 volume 6.01630 ppm1 8.256 ppm2 1.661
 
! ############### N15_CNnoesy.183 NOT folded
assi (attr store1 < 7.755 and attr store1 > 7.655 ) 
     ((attr store1 < 7.445 and attr store1 > 7.385 ) and bondedto
      (attr store1 < 122.65  and attr store1 > 121.85 ))
6 0.1 0.1 peak 183 volume 5.75920 ppm1 7.415 ppm2 7.705
 
! ############### N15_CNnoesy.184 NOT folded
assi (attr store1 < 8.394 and attr store1 > 8.294 ) 
     ((attr store1 < 7.721 and attr store1 > 7.661 ) and bondedto
      (attr store1 < 122.564  and attr store1 > 121.764 ))
6 0.1 0.1 peak 184 volume 8.00264 ppm1 7.691 ppm2 8.344
 
! ############### N15_CNnoesy.185 NOT folded
assi (attr store1 < 8.291 and attr store1 > 8.191 ) 
     ((attr store1 < 7.719 and attr store1 > 7.659 ) and bondedto
      (attr store1 < 122.558  and attr store1 > 121.758 ))
6 0.1 0.1 peak 185 volume 10.64156 ppm1 7.689 ppm2 8.241
 
! ############### N15_CNnoesy.186 NOT folded
assi (attr store1 < 7.739 and attr store1 > 7.639 ) 
     ((attr store1 < 7.719 and attr store1 > 7.659 ) and bondedto
      (attr store1 < 122.548  and attr store1 > 121.748 ))
6 0.1 0.1 peak 186 volume 493.83401 ppm1 7.689 ppm2 7.689
 
! ############### N15_CNnoesy.187 NOT folded
assi (attr store1 < 7.571 and attr store1 > 7.471 ) 
     ((attr store1 < 7.718 and attr store1 > 7.658 ) and bondedto
      (attr store1 < 122.523  and attr store1 > 121.723 ))
6 0.1 0.1 peak 187 volume 19.60589 ppm1 7.688 ppm2 7.521
 
! ############### N15_CNnoesy.188 NOT folded
assi (attr store1 < 4.888 and attr store1 > 4.788 ) 
     ((attr store1 < 7.717 and attr store1 > 7.657 ) and bondedto
      (attr store1 < 122.537  and attr store1 > 121.737 ))
6 0.1 0.1 peak 188 volume 38.36581 ppm1 7.687 ppm2 4.838
 
! ############### N15_CNnoesy.189 NOT folded
assi (attr store1 < 4.218 and attr store1 > 4.118 ) 
     ((attr store1 < 7.718 and attr store1 > 7.658 ) and bondedto
      (attr store1 < 122.547  and attr store1 > 121.747 ))
6 0.1 0.1 peak 189 volume 49.44878 ppm1 7.688 ppm2 4.168
 
! ############### N15_CNnoesy.190 NOT folded
assi (attr store1 < 4.002 and attr store1 > 3.902 ) 
     ((attr store1 < 7.719 and attr store1 > 7.659 ) and bondedto
      (attr store1 < 122.548  and attr store1 > 121.748 ))
6 0.1 0.1 peak 190 volume 17.74746 ppm1 7.689 ppm2 3.952
 
! ############### N15_CNnoesy.191 NOT folded
assi (attr store1 < 2.029 and attr store1 > 1.929 ) 
     ((attr store1 < 7.718 and attr store1 > 7.658 ) and bondedto
      (attr store1 < 122.538  and attr store1 > 121.738 ))
6 0.1 0.1 peak 191 volume 49.27802 ppm1 7.688 ppm2 1.979
 
! ############### N15_CNnoesy.192 NOT folded
assi (attr store1 < 1.777 and attr store1 > 1.677 ) 
     ((attr store1 < 7.719 and attr store1 > 7.659 ) and bondedto
      (attr store1 < 122.553  and attr store1 > 121.753 ))
6 0.1 0.1 peak 192 volume 8.58114 ppm1 7.689 ppm2 1.727
 
! ############### N15_CNnoesy.193 NOT folded
assi (attr store1 < 1.417 and attr store1 > 1.317 ) 
     ((attr store1 < 7.719 and attr store1 > 7.659 ) and bondedto
      (attr store1 < 122.541  and attr store1 > 121.741 ))
6 0.1 0.1 peak 193 volume 114.06523 ppm1 7.689 ppm2 1.367
 
! ############### N15_CNnoesy.194 NOT folded
assi (attr store1 < 1.088 and attr store1 > 0.988 ) 
     ((attr store1 < 7.714 and attr store1 > 7.654 ) and bondedto
      (attr store1 < 122.593  and attr store1 > 121.793 ))
6 0.1 0.1 peak 194 volume 8.46601 ppm1 7.684 ppm2 1.038
 
! ############### N15_CNnoesy.195 NOT folded
assi (attr store1 < 1.923 and attr store1 > 1.823 ) 
     ((attr store1 < 8.371 and attr store1 > 8.311 ) and bondedto
      (attr store1 < 122.424  and attr store1 > 121.624 ))
6 0.1 0.1 peak 195 volume 11.11953 ppm1 8.341 ppm2 1.873
 
! ############### N15_CNnoesy.196 NOT folded
assi (attr store1 < 8.204 and attr store1 > 8.104 ) 
     ((attr store1 < 7.917 and attr store1 > 7.857 ) and bondedto
      (attr store1 < 122.388  and attr store1 > 121.588 ))
6 0.1 0.1 peak 196 volume 5.71265 ppm1 7.887 ppm2 8.154
 
! ############### N15_CNnoesy.197 NOT folded
assi (attr store1 < 7.079 and attr store1 > 6.979 ) 
     ((attr store1 < 7.719 and attr store1 > 7.659 ) and bondedto
      (attr store1 < 122.45  and attr store1 > 121.65 ))
6 0.1 0.1 peak 197 volume 6.17003 ppm1 7.689 ppm2 7.029
 
! ############### N15_CNnoesy.198 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 8.368 and attr store1 > 8.308 ) and bondedto
      (attr store1 < 122.352  and attr store1 > 121.552 ))
6 0.1 0.1 peak 198 volume 257.75674 ppm1 8.338 ppm2 4.839
 
! ############### N15_CNnoesy.199 NOT folded
assi (attr store1 < 4.468 and attr store1 > 4.368 ) 
     ((attr store1 < 8.37 and attr store1 > 8.31 ) and bondedto
      (attr store1 < 122.323  and attr store1 > 121.523 ))
6 0.1 0.1 peak 199 volume 17.92241 ppm1 8.340 ppm2 4.418
 
! ############### N15_CNnoesy.200 NOT folded
assi (attr store1 < 7.549 and attr store1 > 7.449 ) 
     ((attr store1 < 8.183 and attr store1 > 8.123 ) and bondedto
      (attr store1 < 122.344  and attr store1 > 121.544 ))
6 0.1 0.1 peak 200 volume 7.52298 ppm1 8.153 ppm2 7.499
 
! ############### N15_CNnoesy.201 NOT folded
assi (attr store1 < 2.294 and attr store1 > 2.194 ) 
     ((attr store1 < 8.184 and attr store1 > 8.124 ) and bondedto
      (attr store1 < 122.344  and attr store1 > 121.544 ))
6 0.1 0.1 peak 201 volume 31.63374 ppm1 8.154 ppm2 2.244
 
! ############### N15_CNnoesy.202 NOT folded
assi (attr store1 < 8.369 and attr store1 > 8.269 ) 
     ((attr store1 < 8.183 and attr store1 > 8.123 ) and bondedto
      (attr store1 < 122.309  and attr store1 > 121.509 ))
6 0.1 0.1 peak 202 volume 23.70908 ppm1 8.153 ppm2 8.319
 
! ############### N15_CNnoesy.203 NOT folded
assi (attr store1 < 8.203 and attr store1 > 8.103 ) 
     ((attr store1 < 8.183 and attr store1 > 8.123 ) and bondedto
      (attr store1 < 122.345  and attr store1 > 121.545 ))
6 0.1 0.1 peak 203 volume 512.07184 ppm1 8.153 ppm2 8.153
 
! ############### N15_CNnoesy.204 NOT folded
assi (attr store1 < 8.035 and attr store1 > 7.935 ) 
     ((attr store1 < 8.182 and attr store1 > 8.122 ) and bondedto
      (attr store1 < 122.351  and attr store1 > 121.551 ))
6 0.1 0.1 peak 204 volume 21.69547 ppm1 8.152 ppm2 7.985
 
! ############### N15_CNnoesy.205 NOT folded
assi (attr store1 < 7.875 and attr store1 > 7.775 ) 
     ((attr store1 < 8.183 and attr store1 > 8.123 ) and bondedto
      (attr store1 < 122.34  and attr store1 > 121.54 ))
6 0.1 0.1 peak 205 volume 54.58019 ppm1 8.153 ppm2 7.825
 
! ############### N15_CNnoesy.206 NOT folded
assi (attr store1 < 7.67 and attr store1 > 7.57 ) 
     ((attr store1 < 8.181 and attr store1 > 8.121 ) and bondedto
      (attr store1 < 122.36  and attr store1 > 121.56 ))
6 0.1 0.1 peak 206 volume 6.04915 ppm1 8.151 ppm2 7.620
 
! ############### N15_CNnoesy.207 NOT folded
assi (attr store1 < 4.101 and attr store1 > 4.001 ) 
     ((attr store1 < 8.183 and attr store1 > 8.123 ) and bondedto
      (attr store1 < 122.349  and attr store1 > 121.549 ))
6 0.1 0.1 peak 207 volume 23.97114 ppm1 8.153 ppm2 4.051
 
! ############### N15_CNnoesy.208 NOT folded
assi (attr store1 < 3.872 and attr store1 > 3.772 ) 
     ((attr store1 < 8.183 and attr store1 > 8.123 ) and bondedto
      (attr store1 < 122.34  and attr store1 > 121.54 ))
6 0.1 0.1 peak 208 volume 37.64543 ppm1 8.153 ppm2 3.822
 
! ############### N15_CNnoesy.209 NOT folded
assi (attr store1 < 2.201 and attr store1 > 2.101 ) 
     ((attr store1 < 8.183 and attr store1 > 8.123 ) and bondedto
      (attr store1 < 122.339  and attr store1 > 121.539 ))
6 0.1 0.1 peak 209 volume 27.88748 ppm1 8.153 ppm2 2.151
 
! ############### N15_CNnoesy.210 NOT folded
assi (attr store1 < 1.432 and attr store1 > 1.332 ) 
     ((attr store1 < 8.183 and attr store1 > 8.123 ) and bondedto
      (attr store1 < 122.348  and attr store1 > 121.548 ))
6 0.1 0.1 peak 210 volume 98.04062 ppm1 8.153 ppm2 1.382
 
! ############### N15_CNnoesy.211 NOT folded
assi (attr store1 < 0.934 and attr store1 > 0.834 ) 
     ((attr store1 < 8.182 and attr store1 > 8.122 ) and bondedto
      (attr store1 < 122.354  and attr store1 > 121.554 ))
6 0.1 0.1 peak 211 volume 30.93413 ppm1 8.152 ppm2 0.884
 
! ############### N15_CNnoesy.212 NOT folded
assi (attr store1 < 7.849 and attr store1 > 7.749 ) 
     ((attr store1 < 8.345 and attr store1 > 8.285 ) and bondedto
      (attr store1 < 121.99  and attr store1 > 121.19 ))
6 0.1 0.1 peak 212 volume 11.33457 ppm1 8.315 ppm2 7.799
 
! ############### N15_CNnoesy.213 NOT folded
assi (attr store1 < 4.16 and attr store1 > 4.06 ) 
     ((attr store1 < 8.343 and attr store1 > 8.283 ) and bondedto
      (attr store1 < 121.993  and attr store1 > 121.193 ))
6 0.1 0.1 peak 213 volume 31.04790 ppm1 8.313 ppm2 4.110
 
! ############### N15_CNnoesy.214 NOT folded
assi (attr store1 < 2.348 and attr store1 > 2.248 ) 
     ((attr store1 < 8.345 and attr store1 > 8.285 ) and bondedto
      (attr store1 < 121.997  and attr store1 > 121.197 ))
6 0.1 0.1 peak 214 volume 31.44737 ppm1 8.315 ppm2 2.298
 
! ############### N15_CNnoesy.215 NOT folded
assi (attr store1 < 1.172 and attr store1 > 1.072 ) 
     ((attr store1 < 8.343 and attr store1 > 8.283 ) and bondedto
      (attr store1 < 121.999  and attr store1 > 121.199 ))
6 0.1 0.1 peak 215 volume 35.00840 ppm1 8.313 ppm2 1.122
 
! ############### N15_CNnoesy.216 NOT folded
assi (attr store1 < 8.353 and attr store1 > 8.253 ) 
     ((attr store1 < 8.337 and attr store1 > 8.277 ) and bondedto
      (attr store1 < 122.0  and attr store1 > 121.2 ))
6 0.1 0.1 peak 216 volume 174.87660 ppm1 8.307 ppm2 8.303
 
! ############### N15_CNnoesy.217 NOT folded
assi (attr store1 < 8.312 and attr store1 > 8.212 ) 
     ((attr store1 < 8.288 and attr store1 > 8.228 ) and bondedto
      (attr store1 < 121.983  and attr store1 > 121.183 ))
6 0.1 0.1 peak 217 volume 271.78885 ppm1 8.258 ppm2 8.262
 
! ############### N15_CNnoesy.218 NOT folded
assi (attr store1 < 4.255 and attr store1 > 4.155 ) 
     ((attr store1 < 8.288 and attr store1 > 8.228 ) and bondedto
      (attr store1 < 121.981  and attr store1 > 121.181 ))
6 0.1 0.1 peak 218 volume 32.91746 ppm1 8.258 ppm2 4.205
 
! ############### N15_CNnoesy.219 NOT folded
assi (attr store1 < 4.04 and attr store1 > 3.94 ) 
     ((attr store1 < 8.293 and attr store1 > 8.233 ) and bondedto
      (attr store1 < 121.996  and attr store1 > 121.196 ))
6 0.1 0.1 peak 219 volume 23.62106 ppm1 8.263 ppm2 3.990
 
! ############### N15_CNnoesy.220 NOT folded
assi (attr store1 < 3.265 and attr store1 > 3.165 ) 
     ((attr store1 < 8.289 and attr store1 > 8.229 ) and bondedto
      (attr store1 < 121.99  and attr store1 > 121.19 ))
6 0.1 0.1 peak 220 volume 30.40507 ppm1 8.259 ppm2 3.215
 
! ############### N15_CNnoesy.221 NOT folded
assi (attr store1 < 2.912 and attr store1 > 2.812 ) 
     ((attr store1 < 8.288 and attr store1 > 8.228 ) and bondedto
      (attr store1 < 121.983  and attr store1 > 121.183 ))
6 0.1 0.1 peak 221 volume 19.57759 ppm1 8.258 ppm2 2.862
 
! ############### N15_CNnoesy.222 NOT folded
assi (attr store1 < 1.389 and attr store1 > 1.289 ) 
     ((attr store1 < 8.292 and attr store1 > 8.232 ) and bondedto
      (attr store1 < 121.977  and attr store1 > 121.177 ))
6 0.1 0.1 peak 222 volume 5.83422 ppm1 8.262 ppm2 1.339
 
! ############### N15_CNnoesy.223 NOT folded
assi (attr store1 < 8.03 and attr store1 > 7.93 ) 
     ((attr store1 < 8.287 and attr store1 > 8.227 ) and bondedto
      (attr store1 < 121.939  and attr store1 > 121.139 ))
6 0.1 0.1 peak 223 volume 9.93005 ppm1 8.257 ppm2 7.980
 
! ############### N15_CNnoesy.224 NOT folded
assi (attr store1 < 7.305 and attr store1 > 7.205 ) 
     ((attr store1 < 8.287 and attr store1 > 8.227 ) and bondedto
      (attr store1 < 121.997  and attr store1 > 121.197 ))
6 0.1 0.1 peak 224 volume 21.07980 ppm1 8.257 ppm2 7.255
 
! ############### N15_CNnoesy.225 NOT folded
assi (attr store1 < 1.643 and attr store1 > 1.543 ) 
     ((attr store1 < 8.278 and attr store1 > 8.218 ) and bondedto
      (attr store1 < 121.89  and attr store1 > 121.09 ))
6 0.1 0.1 peak 225 volume 13.72707 ppm1 8.248 ppm2 1.593
 
! ############### N15_CNnoesy.226 NOT folded
assi (attr store1 < 2.888 and attr store1 > 2.788 ) 
     ((attr store1 < 8.229 and attr store1 > 8.169 ) and bondedto
      (attr store1 < 121.854  and attr store1 > 121.054 ))
6 0.1 0.1 peak 226 volume 6.05372 ppm1 8.199 ppm2 2.838
 
! ############### N15_CNnoesy.227 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 8.124 and attr store1 > 8.064 ) and bondedto
      (attr store1 < 121.809  and attr store1 > 121.009 ))
6 0.1 0.1 peak 227 volume 192.35342 ppm1 8.094 ppm2 4.839
 
! ############### N15_CNnoesy.228 NOT folded
assi (attr store1 < 1.754 and attr store1 > 1.654 ) 
     ((attr store1 < 8.128 and attr store1 > 8.068 ) and bondedto
      (attr store1 < 121.838  and attr store1 > 121.038 ))
6 0.1 0.1 peak 228 volume 11.56469 ppm1 8.098 ppm2 1.704
 
! ############### N15_CNnoesy.229 NOT folded
assi (attr store1 < 8.252 and attr store1 > 8.152 ) 
     ((attr store1 < 8.229 and attr store1 > 8.169 ) and bondedto
      (attr store1 < 121.716  and attr store1 > 120.916 ))
6 0.1 0.1 peak 229 volume 232.60109 ppm1 8.199 ppm2 8.202
 
! ############### N15_CNnoesy.230 NOT folded
assi (attr store1 < 8.051 and attr store1 > 7.951 ) 
     ((attr store1 < 8.228 and attr store1 > 8.168 ) and bondedto
      (attr store1 < 121.74  and attr store1 > 120.94 ))
6 0.1 0.1 peak 230 volume 30.36655 ppm1 8.198 ppm2 8.001
 
! ############### N15_CNnoesy.231 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 8.225 and attr store1 > 8.165 ) and bondedto
      (attr store1 < 121.751  and attr store1 > 120.951 ))
6 0.1 0.1 peak 231 volume 87.31896 ppm1 8.195 ppm2 4.840
 
! ############### N15_CNnoesy.232 NOT folded
assi (attr store1 < 4.222 and attr store1 > 4.122 ) 
     ((attr store1 < 8.227 and attr store1 > 8.167 ) and bondedto
      (attr store1 < 121.728  and attr store1 > 120.928 ))
6 0.1 0.1 peak 232 volume 25.46759 ppm1 8.197 ppm2 4.172
 
! ############### N15_CNnoesy.233 NOT folded
assi (attr store1 < 4.068 and attr store1 > 3.968 ) 
     ((attr store1 < 8.227 and attr store1 > 8.167 ) and bondedto
      (attr store1 < 121.745  and attr store1 > 120.945 ))
6 0.1 0.1 peak 233 volume 19.95626 ppm1 8.197 ppm2 4.018
 
! ############### N15_CNnoesy.234 NOT folded
assi (attr store1 < 3.436 and attr store1 > 3.336 ) 
     ((attr store1 < 8.226 and attr store1 > 8.166 ) and bondedto
      (attr store1 < 121.759  and attr store1 > 120.959 ))
6 0.1 0.1 peak 234 volume 7.38310 ppm1 8.196 ppm2 3.386
 
! ############### N15_CNnoesy.235 NOT folded
assi (attr store1 < 1.817 and attr store1 > 1.717 ) 
     ((attr store1 < 8.225 and attr store1 > 8.165 ) and bondedto
      (attr store1 < 121.782  and attr store1 > 120.982 ))
6 0.1 0.1 peak 235 volume 6.96248 ppm1 8.195 ppm2 1.767
 
! ############### N15_CNnoesy.236 NOT folded
assi (attr store1 < 1.651 and attr store1 > 1.551 ) 
     ((attr store1 < 8.227 and attr store1 > 8.167 ) and bondedto
      (attr store1 < 121.729  and attr store1 > 120.929 ))
6 0.1 0.1 peak 236 volume 69.93349 ppm1 8.197 ppm2 1.601
 
! ############### N15_CNnoesy.237 NOT folded
assi (attr store1 < 1.464 and attr store1 > 1.364 ) 
     ((attr store1 < 8.229 and attr store1 > 8.169 ) and bondedto
      (attr store1 < 121.759  and attr store1 > 120.959 ))
6 0.1 0.1 peak 237 volume 12.35210 ppm1 8.199 ppm2 1.414
 
! ############### N15_CNnoesy.238 NOT folded
assi (attr store1 < 1.182 and attr store1 > 1.082 ) 
     ((attr store1 < 8.226 and attr store1 > 8.166 ) and bondedto
      (attr store1 < 121.764  and attr store1 > 120.964 ))
6 0.1 0.1 peak 238 volume 13.51332 ppm1 8.196 ppm2 1.132
 
! ############### N15_CNnoesy.239 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.85 and attr store1 > 7.79 ) and bondedto
      (attr store1 < 121.774  and attr store1 > 120.974 ))
6 0.1 0.1 peak 239 volume 7.50598 ppm1 7.820 ppm2 4.839
 
! ############### N15_CNnoesy.240 NOT folded
assi (attr store1 < 4.892 and attr store1 > 4.792 ) 
     ((attr store1 < 7.164 and attr store1 > 7.104 ) and bondedto
      (attr store1 < 121.692  and attr store1 > 120.892 ))
6 0.1 0.1 peak 240 volume 17.38678 ppm1 7.134 ppm2 4.842
 
! ############### N15_CNnoesy.241 NOT folded
assi (attr store1 < 9.267 and attr store1 > 9.167 ) 
     ((attr store1 < 8.712 and attr store1 > 8.652 ) and bondedto
      (attr store1 < 121.576  and attr store1 > 120.776 ))
6 0.1 0.1 peak 241 volume 26.65850 ppm1 8.682 ppm2 9.217
 
! ############### N15_CNnoesy.242 NOT folded
assi (attr store1 < 7.345 and attr store1 > 7.245 ) 
     ((attr store1 < 8.712 and attr store1 > 8.652 ) and bondedto
      (attr store1 < 121.59  and attr store1 > 120.79 ))
6 0.1 0.1 peak 242 volume 8.27737 ppm1 8.682 ppm2 7.295
 
! ############### N15_CNnoesy.243 NOT folded
assi (attr store1 < 2.163 and attr store1 > 2.063 ) 
     ((attr store1 < 8.712 and attr store1 > 8.652 ) and bondedto
      (attr store1 < 121.577  and attr store1 > 120.777 ))
6 0.1 0.1 peak 243 volume 45.31353 ppm1 8.682 ppm2 2.113
 
! ############### N15_CNnoesy.244 NOT folded
assi (attr store1 < 1.099 and attr store1 > 0.999 ) 
     ((attr store1 < 8.712 and attr store1 > 8.652 ) and bondedto
      (attr store1 < 121.592  and attr store1 > 120.792 ))
6 0.1 0.1 peak 244 volume 20.68631 ppm1 8.682 ppm2 1.049
 
! ############### N15_CNnoesy.245 NOT folded
assi (attr store1 < 0.946 and attr store1 > 0.846 ) 
     ((attr store1 < 8.711 and attr store1 > 8.651 ) and bondedto
      (attr store1 < 121.604  and attr store1 > 120.804 ))
6 0.1 0.1 peak 245 volume 6.77975 ppm1 8.681 ppm2 0.896
 
! ############### N15_CNnoesy.246 NOT folded
assi (attr store1 < 8.732 and attr store1 > 8.632 ) 
     ((attr store1 < 8.446 and attr store1 > 8.386 ) and bondedto
      (attr store1 < 121.597  and attr store1 > 120.797 ))
6 0.1 0.1 peak 246 volume 7.88414 ppm1 8.416 ppm2 8.682
 
! ############### N15_CNnoesy.247 NOT folded
assi (attr store1 < 8.905 and attr store1 > 8.805 ) 
     ((attr store1 < 8.713 and attr store1 > 8.653 ) and bondedto
      (attr store1 < 121.559  and attr store1 > 120.759 ))
6 0.1 0.1 peak 247 volume 20.67401 ppm1 8.683 ppm2 8.855
 
! ############### N15_CNnoesy.248 NOT folded
assi (attr store1 < 8.733 and attr store1 > 8.633 ) 
     ((attr store1 < 8.713 and attr store1 > 8.653 ) and bondedto
      (attr store1 < 121.564  and attr store1 > 120.764 ))
6 0.1 0.1 peak 248 volume 532.40601 ppm1 8.683 ppm2 8.683
 
! ############### N15_CNnoesy.249 NOT folded
assi (attr store1 < 8.565 and attr store1 > 8.465 ) 
     ((attr store1 < 8.712 and attr store1 > 8.652 ) and bondedto
      (attr store1 < 121.544  and attr store1 > 120.744 ))
6 0.1 0.1 peak 249 volume 22.90014 ppm1 8.682 ppm2 8.515
 
! ############### N15_CNnoesy.250 NOT folded
assi (attr store1 < 7.054 and attr store1 > 6.954 ) 
     ((attr store1 < 8.713 and attr store1 > 8.653 ) and bondedto
      (attr store1 < 121.568  and attr store1 > 120.768 ))
6 0.1 0.1 peak 250 volume 37.15509 ppm1 8.683 ppm2 7.004
 
! ############### N15_CNnoesy.251 NOT folded
assi (attr store1 < 4.888 and attr store1 > 4.788 ) 
     ((attr store1 < 8.711 and attr store1 > 8.651 ) and bondedto
      (attr store1 < 121.541  and attr store1 > 120.741 ))
6 0.1 0.1 peak 251 volume 20.74093 ppm1 8.681 ppm2 4.838
 
! ############### N15_CNnoesy.252 NOT folded
assi (attr store1 < 4.595 and attr store1 > 4.495 ) 
     ((attr store1 < 8.712 and attr store1 > 8.652 ) and bondedto
      (attr store1 < 121.564  and attr store1 > 120.764 ))
6 0.1 0.1 peak 252 volume 17.54934 ppm1 8.682 ppm2 4.545
 
! ############### N15_CNnoesy.253 NOT folded
assi (attr store1 < 4.324 and attr store1 > 4.224 ) 
     ((attr store1 < 8.712 and attr store1 > 8.652 ) and bondedto
      (attr store1 < 121.571  and attr store1 > 120.771 ))
6 0.1 0.1 peak 253 volume 45.32603 ppm1 8.682 ppm2 4.274
 
! ############### N15_CNnoesy.254 NOT folded
assi (attr store1 < 3.855 and attr store1 > 3.755 ) 
     ((attr store1 < 8.709 and attr store1 > 8.649 ) and bondedto
      (attr store1 < 121.563  and attr store1 > 120.763 ))
6 0.1 0.1 peak 254 volume 7.82959 ppm1 8.679 ppm2 3.805
 
! ############### N15_CNnoesy.255 NOT folded
assi (attr store1 < 2.511 and attr store1 > 2.411 ) 
     ((attr store1 < 8.712 and attr store1 > 8.652 ) and bondedto
      (attr store1 < 121.572  and attr store1 > 120.772 ))
6 0.1 0.1 peak 255 volume 46.47528 ppm1 8.682 ppm2 2.461
 
! ############### N15_CNnoesy.256 NOT folded
assi (attr store1 < 2.28 and attr store1 > 2.18 ) 
     ((attr store1 < 8.712 and attr store1 > 8.652 ) and bondedto
      (attr store1 < 121.568  and attr store1 > 120.768 ))
6 0.1 0.1 peak 256 volume 53.57350 ppm1 8.682 ppm2 2.230
 
! ############### N15_CNnoesy.257 NOT folded
assi (attr store1 < 1.759 and attr store1 > 1.659 ) 
     ((attr store1 < 8.714 and attr store1 > 8.654 ) and bondedto
      (attr store1 < 121.564  and attr store1 > 120.764 ))
6 0.1 0.1 peak 257 volume 10.88964 ppm1 8.684 ppm2 1.709
 
! ############### N15_CNnoesy.258 NOT folded
assi (attr store1 < 1.452 and attr store1 > 1.352 ) 
     ((attr store1 < 8.715 and attr store1 > 8.655 ) and bondedto
      (attr store1 < 121.557  and attr store1 > 120.757 ))
6 0.1 0.1 peak 258 volume 6.25239 ppm1 8.685 ppm2 1.402
 
! ############### N15_CNnoesy.259 NOT folded
assi (attr store1 < 7.86 and attr store1 > 7.76 ) 
     ((attr store1 < 7.853 and attr store1 > 7.793 ) and bondedto
      (attr store1 < 121.394  and attr store1 > 120.594 ))
6 0.1 0.1 peak 259 volume 5.52406 ppm1 7.823 ppm2 7.810
 
! ############### N15_CNnoesy.260 NOT folded
assi (attr store1 < 1.639 and attr store1 > 1.539 ) 
     ((attr store1 < 7.354 and attr store1 > 7.294 ) and bondedto
      (attr store1 < 121.356  and attr store1 > 120.556 ))
6 0.1 0.1 peak 260 volume 7.24641 ppm1 7.324 ppm2 1.589
 
! ############### N15_CNnoesy.261 NOT folded
assi (attr store1 < 8.394 and attr store1 > 8.294 ) 
     ((attr store1 < 8.019 and attr store1 > 7.959 ) and bondedto
      (attr store1 < 121.281  and attr store1 > 120.481 ))
6 0.1 0.1 peak 261 volume 7.67929 ppm1 7.989 ppm2 8.344
 
! ############### N15_CNnoesy.262 NOT folded
assi (attr store1 < 8.236 and attr store1 > 8.136 ) 
     ((attr store1 < 8.018 and attr store1 > 7.958 ) and bondedto
      (attr store1 < 121.34  and attr store1 > 120.54 ))
6 0.1 0.1 peak 262 volume 33.27851 ppm1 7.988 ppm2 8.186
 
! ############### N15_CNnoesy.263 NOT folded
assi (attr store1 < 8.036 and attr store1 > 7.936 ) 
     ((attr store1 < 8.018 and attr store1 > 7.958 ) and bondedto
      (attr store1 < 121.328  and attr store1 > 120.528 ))
6 0.1 0.1 peak 263 volume 257.83374 ppm1 7.988 ppm2 7.986
 
! ############### N15_CNnoesy.264 NOT folded
assi (attr store1 < 7.873 and attr store1 > 7.773 ) 
     ((attr store1 < 8.018 and attr store1 > 7.958 ) and bondedto
      (attr store1 < 121.304  and attr store1 > 120.504 ))
6 0.1 0.1 peak 264 volume 11.25276 ppm1 7.988 ppm2 7.823
 
! ############### N15_CNnoesy.265 NOT folded
assi (attr store1 < 4.891 and attr store1 > 4.791 ) 
     ((attr store1 < 8.018 and attr store1 > 7.958 ) and bondedto
      (attr store1 < 121.314  and attr store1 > 120.514 ))
6 0.1 0.1 peak 265 volume 80.56436 ppm1 7.988 ppm2 4.841
 
! ############### N15_CNnoesy.266 NOT folded
assi (attr store1 < 4.616 and attr store1 > 4.516 ) 
     ((attr store1 < 8.019 and attr store1 > 7.959 ) and bondedto
      (attr store1 < 121.327  and attr store1 > 120.527 ))
6 0.1 0.1 peak 266 volume 8.40250 ppm1 7.989 ppm2 4.566
 
! ############### N15_CNnoesy.267 NOT folded
assi (attr store1 < 4.061 and attr store1 > 3.961 ) 
     ((attr store1 < 8.017 and attr store1 > 7.957 ) and bondedto
      (attr store1 < 121.333  and attr store1 > 120.533 ))
6 0.1 0.1 peak 267 volume 28.43443 ppm1 7.987 ppm2 4.011
 
! ############### N15_CNnoesy.268 NOT folded
assi (attr store1 < 3.51 and attr store1 > 3.41 ) 
     ((attr store1 < 8.018 and attr store1 > 7.958 ) and bondedto
      (attr store1 < 121.323  and attr store1 > 120.523 ))
6 0.1 0.1 peak 268 volume 34.00060 ppm1 7.988 ppm2 3.460
 
! ############### N15_CNnoesy.269 NOT folded
assi (attr store1 < 1.711 and attr store1 > 1.611 ) 
     ((attr store1 < 8.018 and attr store1 > 7.958 ) and bondedto
      (attr store1 < 121.324  and attr store1 > 120.524 ))
6 0.1 0.1 peak 269 volume 25.97515 ppm1 7.988 ppm2 1.661
 
! ############### N15_CNnoesy.270 NOT folded
assi (attr store1 < 1.456 and attr store1 > 1.356 ) 
     ((attr store1 < 8.018 and attr store1 > 7.958 ) and bondedto
      (attr store1 < 121.333  and attr store1 > 120.533 ))
6 0.1 0.1 peak 270 volume 36.90710 ppm1 7.988 ppm2 1.406
 
! ############### N15_CNnoesy.271 NOT folded
assi (attr store1 < 1.204 and attr store1 > 1.104 ) 
     ((attr store1 < 8.018 and attr store1 > 7.958 ) and bondedto
      (attr store1 < 121.317  and attr store1 > 120.517 ))
6 0.1 0.1 peak 271 volume 28.49218 ppm1 7.988 ppm2 1.154
 
! ############### N15_CNnoesy.272 NOT folded
assi (attr store1 < 8.589 and attr store1 > 8.489 ) 
     ((attr store1 < 7.35 and attr store1 > 7.29 ) and bondedto
      (attr store1 < 121.279  and attr store1 > 120.479 ))
6 0.1 0.1 peak 272 volume 23.64298 ppm1 7.320 ppm2 8.539
 
! ############### N15_CNnoesy.273 NOT folded
assi (attr store1 < 7.371 and attr store1 > 7.271 ) 
     ((attr store1 < 7.35 and attr store1 > 7.29 ) and bondedto
      (attr store1 < 121.288  and attr store1 > 120.488 ))
6 0.1 0.1 peak 273 volume 244.88809 ppm1 7.320 ppm2 7.321
 
! ############### N15_CNnoesy.274 NOT folded
assi (attr store1 < 7.182 and attr store1 > 7.082 ) 
     ((attr store1 < 7.35 and attr store1 > 7.29 ) and bondedto
      (attr store1 < 121.283  and attr store1 > 120.483 ))
6 0.1 0.1 peak 274 volume 37.46372 ppm1 7.320 ppm2 7.132
 
! ############### N15_CNnoesy.275 NOT folded
assi (attr store1 < 4.244 and attr store1 > 4.144 ) 
     ((attr store1 < 7.351 and attr store1 > 7.291 ) and bondedto
      (attr store1 < 121.32  and attr store1 > 120.52 ))
6 0.1 0.1 peak 275 volume 9.72721 ppm1 7.321 ppm2 4.194
 
! ############### N15_CNnoesy.276 NOT folded
assi (attr store1 < 4.005 and attr store1 > 3.905 ) 
     ((attr store1 < 7.35 and attr store1 > 7.29 ) and bondedto
      (attr store1 < 121.304  and attr store1 > 120.504 ))
6 0.1 0.1 peak 276 volume 21.89107 ppm1 7.320 ppm2 3.955
 
! ############### N15_CNnoesy.277 NOT folded
assi (attr store1 < 1.831 and attr store1 > 1.731 ) 
     ((attr store1 < 7.351 and attr store1 > 7.291 ) and bondedto
      (attr store1 < 121.288  and attr store1 > 120.488 ))
6 0.1 0.1 peak 277 volume 67.98929 ppm1 7.321 ppm2 1.781
 
! ############### N15_CNnoesy.278 NOT folded
assi (attr store1 < 3.792 and attr store1 > 3.692 ) 
     ((attr store1 < 7.349 and attr store1 > 7.289 ) and bondedto
      (attr store1 < 121.257  and attr store1 > 120.457 ))
6 0.1 0.1 peak 278 volume 7.59462 ppm1 7.319 ppm2 3.742
 
! ############### N15_CNnoesy.279 NOT folded
assi (attr store1 < 2.32 and attr store1 > 2.22 ) 
     ((attr store1 < 7.349 and attr store1 > 7.289 ) and bondedto
      (attr store1 < 121.278  and attr store1 > 120.478 ))
6 0.1 0.1 peak 279 volume 26.63098 ppm1 7.319 ppm2 2.270
 
! ############### N15_CNnoesy.280 NOT folded
assi (attr store1 < 1.262 and attr store1 > 1.162 ) 
     ((attr store1 < 7.346 and attr store1 > 7.286 ) and bondedto
      (attr store1 < 121.285  and attr store1 > 120.485 ))
6 0.1 0.1 peak 280 volume 22.83652 ppm1 7.316 ppm2 1.212
 
! ############### N15_CNnoesy.281 NOT folded
assi (attr store1 < 1.078 and attr store1 > 0.978 ) 
     ((attr store1 < 7.348 and attr store1 > 7.288 ) and bondedto
      (attr store1 < 121.289  and attr store1 > 120.489 ))
6 0.1 0.1 peak 281 volume 21.56850 ppm1 7.318 ppm2 1.028
 
! ############### N15_CNnoesy.282 NOT folded
assi (attr store1 < 0.933 and attr store1 > 0.833 ) 
     ((attr store1 < 7.345 and attr store1 > 7.285 ) and bondedto
      (attr store1 < 121.279  and attr store1 > 120.479 ))
6 0.1 0.1 peak 282 volume 14.54471 ppm1 7.315 ppm2 0.883
 
! ############### N15_CNnoesy.283 NOT folded
assi (attr store1 < 7.465 and attr store1 > 7.365 ) 
     ((attr store1 < 7.452 and attr store1 > 7.392 ) and bondedto
      (attr store1 < 121.131  and attr store1 > 120.331 ))
6 0.1 0.1 peak 283 volume 14.25537 ppm1 7.422 ppm2 7.415
 
! ############### N15_CNnoesy.284 NOT folded
assi (attr store1 < 8.751 and attr store1 > 8.651 ) 
     ((attr store1 < 8.57 and attr store1 > 8.51 ) and bondedto
      (attr store1 < 121.024  and attr store1 > 120.224 ))
6 0.1 0.1 peak 284 volume 18.68706 ppm1 8.540 ppm2 8.701
 
! ############### N15_CNnoesy.285 NOT folded
assi (attr store1 < 2.021 and attr store1 > 1.921 ) 
     ((attr store1 < 8.571 and attr store1 > 8.511 ) and bondedto
      (attr store1 < 121.019  and attr store1 > 120.219 ))
6 0.1 0.1 peak 285 volume 6.58562 ppm1 8.541 ppm2 1.971
 
! ############### N15_CNnoesy.286 NOT folded
assi (attr store1 < 8.347 and attr store1 > 8.247 ) 
     ((attr store1 < 8.318 and attr store1 > 8.258 ) and bondedto
      (attr store1 < 121.028  and attr store1 > 120.228 ))
6 0.1 0.1 peak 286 volume 12.68879 ppm1 8.288 ppm2 8.297
 
! ############### N15_CNnoesy.287 NOT folded
assi (attr store1 < 8.589 and attr store1 > 8.489 ) 
     ((attr store1 < 8.57 and attr store1 > 8.51 ) and bondedto
      (attr store1 < 120.976  and attr store1 > 120.176 ))
6 0.1 0.1 peak 287 volume 407.92490 ppm1 8.540 ppm2 8.539
 
! ############### N15_CNnoesy.288 NOT folded
assi (attr store1 < 8.428 and attr store1 > 8.328 ) 
     ((attr store1 < 8.569 and attr store1 > 8.509 ) and bondedto
      (attr store1 < 120.968  and attr store1 > 120.168 ))
6 0.1 0.1 peak 288 volume 19.55954 ppm1 8.539 ppm2 8.378
 
! ############### N15_CNnoesy.289 NOT folded
assi (attr store1 < 7.863 and attr store1 > 7.763 ) 
     ((attr store1 < 8.57 and attr store1 > 8.51 ) and bondedto
      (attr store1 < 120.973  and attr store1 > 120.173 ))
6 0.1 0.1 peak 289 volume 27.75609 ppm1 8.540 ppm2 7.813
 
! ############### N15_CNnoesy.290 NOT folded
assi (attr store1 < 7.362 and attr store1 > 7.262 ) 
     ((attr store1 < 8.569 and attr store1 > 8.509 ) and bondedto
      (attr store1 < 120.983  and attr store1 > 120.183 ))
6 0.1 0.1 peak 290 volume 36.51273 ppm1 8.539 ppm2 7.312
 
! ############### N15_CNnoesy.291 NOT folded
assi (attr store1 < 7.183 and attr store1 > 7.083 ) 
     ((attr store1 < 8.569 and attr store1 > 8.509 ) and bondedto
      (attr store1 < 120.925  and attr store1 > 120.125 ))
6 0.1 0.1 peak 291 volume 7.26104 ppm1 8.539 ppm2 7.133
 
! ############### N15_CNnoesy.292 NOT folded
assi (attr store1 < 4.227 and attr store1 > 4.127 ) 
     ((attr store1 < 8.57 and attr store1 > 8.51 ) and bondedto
      (attr store1 < 120.989  and attr store1 > 120.189 ))
6 0.1 0.1 peak 292 volume 9.26517 ppm1 8.540 ppm2 4.177
 
! ############### N15_CNnoesy.293 NOT folded
assi (attr store1 < 4.056 and attr store1 > 3.956 ) 
     ((attr store1 < 8.569 and attr store1 > 8.509 ) and bondedto
      (attr store1 < 120.949  and attr store1 > 120.149 ))
6 0.1 0.1 peak 293 volume 20.72885 ppm1 8.539 ppm2 4.006
 
! ############### N15_CNnoesy.294 NOT folded
assi (attr store1 < 3.87 and attr store1 > 3.77 ) 
     ((attr store1 < 8.569 and attr store1 > 8.509 ) and bondedto
      (attr store1 < 120.974  and attr store1 > 120.174 ))
6 0.1 0.1 peak 294 volume 26.37626 ppm1 8.539 ppm2 3.820
 
! ############### N15_CNnoesy.295 NOT folded
assi (attr store1 < 1.832 and attr store1 > 1.732 ) 
     ((attr store1 < 8.569 and attr store1 > 8.509 ) and bondedto
      (attr store1 < 120.974  and attr store1 > 120.174 ))
6 0.1 0.1 peak 295 volume 35.43067 ppm1 8.539 ppm2 1.782
 
! ############### N15_CNnoesy.296 NOT folded
assi (attr store1 < 1.62 and attr store1 > 1.52 ) 
     ((attr store1 < 8.569 and attr store1 > 8.509 ) and bondedto
      (attr store1 < 120.974  and attr store1 > 120.174 ))
6 0.1 0.1 peak 296 volume 82.31019 ppm1 8.539 ppm2 1.570
 
! ############### N15_CNnoesy.297 NOT folded
assi (attr store1 < 1.245 and attr store1 > 1.145 ) 
     ((attr store1 < 8.568 and attr store1 > 8.508 ) and bondedto
      (attr store1 < 120.958  and attr store1 > 120.158 ))
6 0.1 0.1 peak 297 volume 17.50710 ppm1 8.538 ppm2 1.195
 
! ############### N15_CNnoesy.298 NOT folded
assi (attr store1 < 1.072 and attr store1 > 0.972 ) 
     ((attr store1 < 8.568 and attr store1 > 8.508 ) and bondedto
      (attr store1 < 120.98  and attr store1 > 120.18 ))
6 0.1 0.1 peak 298 volume 10.23834 ppm1 8.538 ppm2 1.022
 
! ############### N15_CNnoesy.299 NOT folded
assi (attr store1 < 0.947 and attr store1 > 0.847 ) 
     ((attr store1 < 8.569 and attr store1 > 8.509 ) and bondedto
      (attr store1 < 120.987  and attr store1 > 120.187 ))
6 0.1 0.1 peak 299 volume 12.69328 ppm1 8.539 ppm2 0.897
 
! ############### N15_CNnoesy.300 NOT folded
assi (attr store1 < 8.586 and attr store1 > 8.486 ) 
     ((attr store1 < 8.452 and attr store1 > 8.392 ) and bondedto
      (attr store1 < 120.964  and attr store1 > 120.164 ))
6 0.1 0.1 peak 300 volume 12.84090 ppm1 8.422 ppm2 8.536
 
! ############### N15_CNnoesy.301 NOT folded
assi (attr store1 < 8.471 and attr store1 > 8.371 ) 
     ((attr store1 < 8.447 and attr store1 > 8.387 ) and bondedto
      (attr store1 < 120.925  and attr store1 > 120.125 ))
6 0.1 0.1 peak 301 volume 14.30341 ppm1 8.417 ppm2 8.421
 
! ############### N15_CNnoesy.302 NOT folded
assi (attr store1 < 8.59 and attr store1 > 8.49 ) 
     ((attr store1 < 8.302 and attr store1 > 8.242 ) and bondedto
      (attr store1 < 120.973  and attr store1 > 120.173 ))
6 0.1 0.1 peak 302 volume 6.33785 ppm1 8.272 ppm2 8.540
 
! ############### N15_CNnoesy.303 NOT folded
assi (attr store1 < 8.579 and attr store1 > 8.479 ) 
     ((attr store1 < 8.14 and attr store1 > 8.08 ) and bondedto
      (attr store1 < 120.919  and attr store1 > 120.119 ))
6 0.1 0.1 peak 303 volume 5.99802 ppm1 8.110 ppm2 8.529
 
! ############### N15_CNnoesy.304 NOT folded
assi (attr store1 < 8.474 and attr store1 > 8.374 ) 
     ((attr store1 < 7.707 and attr store1 > 7.647 ) and bondedto
      (attr store1 < 120.968  and attr store1 > 120.168 ))
6 0.1 0.1 peak 304 volume 39.88901 ppm1 7.677 ppm2 8.424
 
! ############### N15_CNnoesy.305 NOT folded
assi (attr store1 < 8.165 and attr store1 > 8.065 ) 
     ((attr store1 < 7.705 and attr store1 > 7.645 ) and bondedto
      (attr store1 < 120.989  and attr store1 > 120.189 ))
6 0.1 0.1 peak 305 volume 32.52352 ppm1 7.675 ppm2 8.115
 
! ############### N15_CNnoesy.306 NOT folded
assi (attr store1 < 4.615 and attr store1 > 4.515 ) 
     ((attr store1 < 7.706 and attr store1 > 7.646 ) and bondedto
      (attr store1 < 120.97  and attr store1 > 120.17 ))
6 0.1 0.1 peak 306 volume 21.25825 ppm1 7.676 ppm2 4.565
 
! ############### N15_CNnoesy.307 NOT folded
assi (attr store1 < 4.373 and attr store1 > 4.273 ) 
     ((attr store1 < 7.708 and attr store1 > 7.648 ) and bondedto
      (attr store1 < 120.922  and attr store1 > 120.122 ))
6 0.1 0.1 peak 307 volume 41.69323 ppm1 7.678 ppm2 4.323
 
! ############### N15_CNnoesy.308 NOT folded
assi (attr store1 < 2.501 and attr store1 > 2.401 ) 
     ((attr store1 < 7.706 and attr store1 > 7.646 ) and bondedto
      (attr store1 < 120.987  and attr store1 > 120.187 ))
6 0.1 0.1 peak 308 volume 30.54963 ppm1 7.676 ppm2 2.451
 
! ############### N15_CNnoesy.309 NOT folded
assi (attr store1 < 2.228 and attr store1 > 2.128 ) 
     ((attr store1 < 7.706 and attr store1 > 7.646 ) and bondedto
      (attr store1 < 120.96  and attr store1 > 120.16 ))
6 0.1 0.1 peak 309 volume 121.07822 ppm1 7.676 ppm2 2.178
 
! ############### N15_CNnoesy.310 NOT folded
assi (attr store1 < 1.888 and attr store1 > 1.788 ) 
     ((attr store1 < 7.706 and attr store1 > 7.646 ) and bondedto
      (attr store1 < 120.962  and attr store1 > 120.162 ))
6 0.1 0.1 peak 310 volume 25.53176 ppm1 7.676 ppm2 1.838
 
! ############### N15_CNnoesy.311 NOT folded
assi (attr store1 < 1.628 and attr store1 > 1.528 ) 
     ((attr store1 < 7.708 and attr store1 > 7.648 ) and bondedto
      (attr store1 < 120.91  and attr store1 > 120.11 ))
6 0.1 0.1 peak 311 volume 14.72751 ppm1 7.678 ppm2 1.578
 
! ############### N15_CNnoesy.312 NOT folded
assi (attr store1 < 2.587 and attr store1 > 2.487 ) 
     ((attr store1 < 8.207 and attr store1 > 8.147 ) and bondedto
      (attr store1 < 120.808  and attr store1 > 120.008 ))
6 0.1 0.1 peak 312 volume 6.78483 ppm1 8.177 ppm2 2.537
 
! ############### N15_CNnoesy.313 NOT folded
assi (attr store1 < 7.061 and attr store1 > 6.961 ) 
     ((attr store1 < 7.708 and attr store1 > 7.648 ) and bondedto
      (attr store1 < 120.865  and attr store1 > 120.065 ))
6 0.1 0.1 peak 313 volume 5.60268 ppm1 7.678 ppm2 7.011
 
! ############### N15_CNnoesy.314 NOT folded
assi (attr store1 < 3.879 and attr store1 > 3.779 ) 
     ((attr store1 < 7.711 and attr store1 > 7.651 ) and bondedto
      (attr store1 < 120.839  and attr store1 > 120.039 ))
6 0.1 0.1 peak 314 volume 5.93265 ppm1 7.681 ppm2 3.829
 
! ############### N15_CNnoesy.315 NOT folded
assi (attr store1 < 7.738 and attr store1 > 7.638 ) 
     ((attr store1 < 7.444 and attr store1 > 7.384 ) and bondedto
      (attr store1 < 120.827  and attr store1 > 120.027 ))
6 0.1 0.1 peak 315 volume 8.36063 ppm1 7.414 ppm2 7.688
 
! ############### N15_CNnoesy.316 NOT folded
assi (attr store1 < 7.73 and attr store1 > 7.63 ) 
     ((attr store1 < 7.28 and attr store1 > 7.22 ) and bondedto
      (attr store1 < 120.814  and attr store1 > 120.014 ))
6 0.1 0.1 peak 316 volume 7.48501 ppm1 7.250 ppm2 7.680
 
! ############### N15_CNnoesy.317 NOT folded
assi (attr store1 < 4.884 and attr store1 > 4.784 ) 
     ((attr store1 < 8.213 and attr store1 > 8.153 ) and bondedto
      (attr store1 < 120.73  and attr store1 > 119.93 ))
6 0.1 0.1 peak 317 volume 9.56229 ppm1 8.183 ppm2 4.834
 
! ############### N15_CNnoesy.318 NOT folded
assi (attr store1 < 8.728 and attr store1 > 8.628 ) 
     ((attr store1 < 8.203 and attr store1 > 8.143 ) and bondedto
      (attr store1 < 120.707  and attr store1 > 119.907 ))
6 0.1 0.1 peak 318 volume 5.84174 ppm1 8.173 ppm2 8.678
 
! ############### N15_CNnoesy.319 NOT folded
assi (attr store1 < 8.515 and attr store1 > 8.415 ) 
     ((attr store1 < 8.203 and attr store1 > 8.143 ) and bondedto
      (attr store1 < 120.741  and attr store1 > 119.941 ))
6 0.1 0.1 peak 319 volume 46.88887 ppm1 8.173 ppm2 8.465
 
! ############### N15_CNnoesy.320 NOT folded
assi (attr store1 < 8.39 and attr store1 > 8.29 ) 
     ((attr store1 < 8.203 and attr store1 > 8.143 ) and bondedto
      (attr store1 < 120.693  and attr store1 > 119.893 ))
6 0.1 0.1 peak 320 volume 17.03776 ppm1 8.173 ppm2 8.340
 
! ############### N15_CNnoesy.321 NOT folded
assi (attr store1 < 8.224 and attr store1 > 8.124 ) 
     ((attr store1 < 8.205 and attr store1 > 8.145 ) and bondedto
      (attr store1 < 120.719  and attr store1 > 119.919 ))
6 0.1 0.1 peak 321 volume 467.18555 ppm1 8.175 ppm2 8.174
 
! ############### N15_CNnoesy.322 NOT folded
assi (attr store1 < 8.075 and attr store1 > 7.975 ) 
     ((attr store1 < 8.203 and attr store1 > 8.143 ) and bondedto
      (attr store1 < 120.697  and attr store1 > 119.897 ))
6 0.1 0.1 peak 322 volume 55.05627 ppm1 8.173 ppm2 8.025
 
! ############### N15_CNnoesy.323 NOT folded
assi (attr store1 < 4.237 and attr store1 > 4.137 ) 
     ((attr store1 < 8.204 and attr store1 > 8.144 ) and bondedto
      (attr store1 < 120.739  and attr store1 > 119.939 ))
6 0.1 0.1 peak 323 volume 16.77273 ppm1 8.174 ppm2 4.187
 
! ############### N15_CNnoesy.324 NOT folded
assi (attr store1 < 4.099 and attr store1 > 3.999 ) 
     ((attr store1 < 8.205 and attr store1 > 8.145 ) and bondedto
      (attr store1 < 120.675  and attr store1 > 119.875 ))
6 0.1 0.1 peak 324 volume 6.65472 ppm1 8.175 ppm2 4.049
 
! ############### N15_CNnoesy.325 NOT folded
assi (attr store1 < 3.872 and attr store1 > 3.772 ) 
     ((attr store1 < 8.204 and attr store1 > 8.144 ) and bondedto
      (attr store1 < 120.709  and attr store1 > 119.909 ))
6 0.1 0.1 peak 325 volume 30.97312 ppm1 8.174 ppm2 3.822
 
! ############### N15_CNnoesy.326 NOT folded
assi (attr store1 < 3.585 and attr store1 > 3.485 ) 
     ((attr store1 < 8.204 and attr store1 > 8.144 ) and bondedto
      (attr store1 < 120.743  and attr store1 > 119.943 ))
6 0.1 0.1 peak 326 volume 11.73617 ppm1 8.174 ppm2 3.535
 
! ############### N15_CNnoesy.327 NOT folded
assi (attr store1 < 2.419 and attr store1 > 2.319 ) 
     ((attr store1 < 8.204 and attr store1 > 8.144 ) and bondedto
      (attr store1 < 120.725  and attr store1 > 119.925 ))
6 0.1 0.1 peak 327 volume 48.69628 ppm1 8.174 ppm2 2.369
 
! ############### N15_CNnoesy.328 NOT folded
assi (attr store1 < 2.244 and attr store1 > 2.144 ) 
     ((attr store1 < 8.204 and attr store1 > 8.144 ) and bondedto
      (attr store1 < 120.727  and attr store1 > 119.927 ))
6 0.1 0.1 peak 328 volume 88.23986 ppm1 8.174 ppm2 2.194
 
! ############### N15_CNnoesy.329 NOT folded
assi (attr store1 < 1.961 and attr store1 > 1.861 ) 
     ((attr store1 < 8.204 and attr store1 > 8.144 ) and bondedto
      (attr store1 < 120.722  and attr store1 > 119.922 ))
6 0.1 0.1 peak 329 volume 64.01518 ppm1 8.174 ppm2 1.911
 
! ############### N15_CNnoesy.330 NOT folded
assi (attr store1 < 1.262 and attr store1 > 1.162 ) 
     ((attr store1 < 8.203 and attr store1 > 8.143 ) and bondedto
      (attr store1 < 120.72  and attr store1 > 119.92 ))
6 0.1 0.1 peak 330 volume 27.04661 ppm1 8.173 ppm2 1.212
 
! ############### N15_CNnoesy.331 NOT folded
assi (attr store1 < 1.093 and attr store1 > 0.993 ) 
     ((attr store1 < 8.204 and attr store1 > 8.144 ) and bondedto
      (attr store1 < 120.726  and attr store1 > 119.926 ))
6 0.1 0.1 peak 331 volume 27.11617 ppm1 8.174 ppm2 1.043
 
! ############### N15_CNnoesy.332 NOT folded
assi (attr store1 < 0.944 and attr store1 > 0.844 ) 
     ((attr store1 < 8.204 and attr store1 > 8.144 ) and bondedto
      (attr store1 < 120.712  and attr store1 > 119.912 ))
6 0.1 0.1 peak 332 volume 31.27123 ppm1 8.174 ppm2 0.894
 
! ############### N15_CNnoesy.333 NOT folded
assi (attr store1 < 8.219 and attr store1 > 8.119 ) 
     ((attr store1 < 8.076 and attr store1 > 8.016 ) and bondedto
      (attr store1 < 120.722  and attr store1 > 119.922 ))
6 0.1 0.1 peak 333 volume 7.13392 ppm1 8.046 ppm2 8.169
 
! ############### N15_CNnoesy.334 NOT folded
assi (attr store1 < 8.242 and attr store1 > 8.142 ) 
     ((attr store1 < 7.943 and attr store1 > 7.883 ) and bondedto
      (attr store1 < 120.71  and attr store1 > 119.91 ))
6 0.1 0.1 peak 334 volume 6.09145 ppm1 7.913 ppm2 8.192
 
! ############### N15_CNnoesy.335 NOT folded
assi (attr store1 < 7.733 and attr store1 > 7.633 ) 
     ((attr store1 < 7.846 and attr store1 > 7.786 ) and bondedto
      (attr store1 < 120.688  and attr store1 > 119.888 ))
6 0.1 0.1 peak 335 volume 5.56138 ppm1 7.816 ppm2 7.683
 
! ############### N15_CNnoesy.336 NOT folded
assi (attr store1 < 8.668 and attr store1 > 8.568 ) 
     ((attr store1 < 7.723 and attr store1 > 7.663 ) and bondedto
      (attr store1 < 120.728  and attr store1 > 119.928 ))
6 0.1 0.1 peak 336 volume 7.38527 ppm1 7.693 ppm2 8.618
 
! ############### N15_CNnoesy.337 NOT folded
assi (attr store1 < 8.025 and attr store1 > 7.925 ) 
     ((attr store1 < 7.724 and attr store1 > 7.664 ) and bondedto
      (attr store1 < 120.702  and attr store1 > 119.902 ))
6 0.1 0.1 peak 337 volume 20.10747 ppm1 7.694 ppm2 7.975
 
! ############### N15_CNnoesy.338 NOT folded
assi (attr store1 < 7.913 and attr store1 > 7.813 ) 
     ((attr store1 < 7.721 and attr store1 > 7.661 ) and bondedto
      (attr store1 < 120.722  and attr store1 > 119.922 ))
6 0.1 0.1 peak 338 volume 22.72122 ppm1 7.691 ppm2 7.863
 
! ############### N15_CNnoesy.339 NOT folded
assi (attr store1 < 7.743 and attr store1 > 7.643 ) 
     ((attr store1 < 7.723 and attr store1 > 7.663 ) and bondedto
      (attr store1 < 120.714  and attr store1 > 119.914 ))
6 0.1 0.1 peak 339 volume 615.64154 ppm1 7.693 ppm2 7.693
 
! ############### N15_CNnoesy.340 NOT folded
assi (attr store1 < 7.571 and attr store1 > 7.471 ) 
     ((attr store1 < 7.721 and attr store1 > 7.661 ) and bondedto
      (attr store1 < 120.727  and attr store1 > 119.927 ))
6 0.1 0.1 peak 340 volume 23.85388 ppm1 7.691 ppm2 7.521
 
! ############### N15_CNnoesy.341 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 7.727 and attr store1 > 7.667 ) and bondedto
      (attr store1 < 120.661  and attr store1 > 119.861 ))
6 0.1 0.1 peak 341 volume 18.96047 ppm1 7.697 ppm2 4.840
 
! ############### N15_CNnoesy.342 NOT folded
assi (attr store1 < 4.164 and attr store1 > 4.064 ) 
     ((attr store1 < 7.725 and attr store1 > 7.665 ) and bondedto
      (attr store1 < 120.69  and attr store1 > 119.89 ))
6 0.1 0.1 peak 342 volume 36.16386 ppm1 7.695 ppm2 4.114
 
! ############### N15_CNnoesy.343 NOT folded
assi (attr store1 < 2.34 and attr store1 > 2.24 ) 
     ((attr store1 < 7.727 and attr store1 > 7.667 ) and bondedto
      (attr store1 < 120.656  and attr store1 > 119.856 ))
6 0.1 0.1 peak 343 volume 62.45950 ppm1 7.697 ppm2 2.290
 
! ############### N15_CNnoesy.344 NOT folded
assi (attr store1 < 8.743 and attr store1 > 8.643 ) 
     ((attr store1 < 8.699 and attr store1 > 8.639 ) and bondedto
      (attr store1 < 120.566  and attr store1 > 119.766 ))
6 0.1 0.1 peak 344 volume 45.09080 ppm1 8.669 ppm2 8.693
 
! ############### N15_CNnoesy.345 NOT folded
assi (attr store1 < 7.747 and attr store1 > 7.647 ) 
     ((attr store1 < 7.994 and attr store1 > 7.934 ) and bondedto
      (attr store1 < 120.585  and attr store1 > 119.785 ))
6 0.1 0.1 peak 345 volume 5.58009 ppm1 7.964 ppm2 7.697
 
! ############### N15_CNnoesy.346 NOT folded
assi (attr store1 < 3.684 and attr store1 > 3.584 ) 
     ((attr store1 < 7.729 and attr store1 > 7.669 ) and bondedto
      (attr store1 < 120.635  and attr store1 > 119.835 ))
6 0.1 0.1 peak 346 volume 11.49397 ppm1 7.699 ppm2 3.634
 
! ############### N15_CNnoesy.347 NOT folded
assi (attr store1 < 1.4 and attr store1 > 1.3 ) 
     ((attr store1 < 7.728 and attr store1 > 7.668 ) and bondedto
      (attr store1 < 120.621  and attr store1 > 119.821 ))
6 0.1 0.1 peak 347 volume 29.13702 ppm1 7.698 ppm2 1.350
 
! ############### N15_CNnoesy.348 NOT folded
assi (attr store1 < 0.802 and attr store1 > 0.702 ) 
     ((attr store1 < 7.727 and attr store1 > 7.667 ) and bondedto
      (attr store1 < 120.642  and attr store1 > 119.842 ))
6 0.1 0.1 peak 348 volume 40.61241 ppm1 7.697 ppm2 0.752
 
! ############### N15_CNnoesy.349 NOT folded
assi (attr store1 < 0.963 and attr store1 > 0.863 ) 
     ((attr store1 < 7.727 and attr store1 > 7.667 ) and bondedto
      (attr store1 < 120.632  and attr store1 > 119.832 ))
6 0.1 0.1 peak 349 volume 24.66247 ppm1 7.697 ppm2 0.913
 
! ############### N15_CNnoesy.350 NOT folded
assi (attr store1 < 8.692 and attr store1 > 8.592 ) 
     ((attr store1 < 8.647 and attr store1 > 8.587 ) and bondedto
      (attr store1 < 120.482  and attr store1 > 119.682 ))
6 0.1 0.1 peak 350 volume 10.21590 ppm1 8.617 ppm2 8.642
 
! ############### N15_CNnoesy.351 NOT folded
assi (attr store1 < 2.1 and attr store1 > 2.0 ) 
     ((attr store1 < 8.673 and attr store1 > 8.613 ) and bondedto
      (attr store1 < 120.34  and attr store1 > 119.54 ))
6 0.1 0.1 peak 351 volume 6.55668 ppm1 8.643 ppm2 2.050
 
! ############### N15_CNnoesy.352 NOT folded
assi (attr store1 < 2.207 and attr store1 > 2.107 ) 
     ((attr store1 < 7.696 and attr store1 > 7.636 ) and bondedto
      (attr store1 < 120.119  and attr store1 > 119.319 ))
6 0.1 0.1 peak 352 volume 9.17424 ppm1 7.666 ppm2 2.157
 
! ############### N15_CNnoesy.353 NOT folded
assi (attr store1 < 8.397 and attr store1 > 8.297 ) 
     ((attr store1 < 8.371 and attr store1 > 8.311 ) and bondedto
      (attr store1 < 119.998  and attr store1 > 119.198 ))
6 0.1 0.1 peak 353 volume 43.90023 ppm1 8.341 ppm2 8.347
 
! ############### N15_CNnoesy.354 NOT folded
assi (attr store1 < 8.041 and attr store1 > 7.941 ) 
     ((attr store1 < 8.37 and attr store1 > 8.31 ) and bondedto
      (attr store1 < 119.972  and attr store1 > 119.172 ))
6 0.1 0.1 peak 354 volume 12.41606 ppm1 8.340 ppm2 7.991
 
! ############### N15_CNnoesy.355 NOT folded
assi (attr store1 < 5.058 and attr store1 > 4.958 ) 
     ((attr store1 < 8.37 and attr store1 > 8.31 ) and bondedto
      (attr store1 < 120.008  and attr store1 > 119.208 ))
6 0.1 0.1 peak 355 volume 5.80888 ppm1 8.340 ppm2 5.008
 
! ############### N15_CNnoesy.356 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 8.37 and attr store1 > 8.31 ) and bondedto
      (attr store1 < 119.979  and attr store1 > 119.179 ))
6 0.1 0.1 peak 356 volume 196.22939 ppm1 8.340 ppm2 4.839
 
! ############### N15_CNnoesy.357 NOT folded
assi (attr store1 < 4.615 and attr store1 > 4.515 ) 
     ((attr store1 < 8.369 and attr store1 > 8.309 ) and bondedto
      (attr store1 < 120.003  and attr store1 > 119.203 ))
6 0.1 0.1 peak 357 volume 11.78437 ppm1 8.339 ppm2 4.565
 
! ############### N15_CNnoesy.358 NOT folded
assi (attr store1 < 3.51 and attr store1 > 3.41 ) 
     ((attr store1 < 8.37 and attr store1 > 8.31 ) and bondedto
      (attr store1 < 119.991  and attr store1 > 119.191 ))
6 0.1 0.1 peak 358 volume 33.58394 ppm1 8.340 ppm2 3.460
 
! ############### N15_CNnoesy.359 NOT folded
assi (attr store1 < 1.855 and attr store1 > 1.755 ) 
     ((attr store1 < 8.37 and attr store1 > 8.31 ) and bondedto
      (attr store1 < 119.959  and attr store1 > 119.159 ))
6 0.1 0.1 peak 359 volume 10.70077 ppm1 8.340 ppm2 1.805
 
! ############### N15_CNnoesy.360 NOT folded
assi (attr store1 < 4.08 and attr store1 > 3.98 ) 
     ((attr store1 < 8.363 and attr store1 > 8.303 ) and bondedto
      (attr store1 < 120.043  and attr store1 > 119.243 ))
6 0.1 0.1 peak 360 volume 7.13391 ppm1 8.333 ppm2 4.030
 
! ############### N15_CNnoesy.361 NOT folded
assi (attr store1 < 8.638 and attr store1 > 8.538 ) 
     ((attr store1 < 8.459 and attr store1 > 8.399 ) and bondedto
      (attr store1 < 119.858  and attr store1 > 119.058 ))
6 0.1 0.1 peak 361 volume 13.01565 ppm1 8.429 ppm2 8.588
 
! ############### N15_CNnoesy.362 NOT folded
assi (attr store1 < 8.478 and attr store1 > 8.378 ) 
     ((attr store1 < 8.458 and attr store1 > 8.398 ) and bondedto
      (attr store1 < 119.841  and attr store1 > 119.041 ))
6 0.1 0.1 peak 362 volume 326.23282 ppm1 8.428 ppm2 8.428
 
! ############### N15_CNnoesy.363 NOT folded
assi (attr store1 < 8.208 and attr store1 > 8.108 ) 
     ((attr store1 < 8.457 and attr store1 > 8.397 ) and bondedto
      (attr store1 < 119.843  and attr store1 > 119.043 ))
6 0.1 0.1 peak 363 volume 14.40714 ppm1 8.427 ppm2 8.158
 
! ############### N15_CNnoesy.364 NOT folded
assi (attr store1 < 7.73 and attr store1 > 7.63 ) 
     ((attr store1 < 8.457 and attr store1 > 8.397 ) and bondedto
      (attr store1 < 119.852  and attr store1 > 119.052 ))
6 0.1 0.1 peak 364 volume 34.21452 ppm1 8.427 ppm2 7.680
 
! ############### N15_CNnoesy.365 NOT folded
assi (attr store1 < 4.132 and attr store1 > 4.032 ) 
     ((attr store1 < 8.466 and attr store1 > 8.406 ) and bondedto
      (attr store1 < 119.84  and attr store1 > 119.04 ))
6 0.1 0.1 peak 365 volume 18.59097 ppm1 8.436 ppm2 4.082
 
! ############### N15_CNnoesy.366 NOT folded
assi (attr store1 < 3.884 and attr store1 > 3.784 ) 
     ((attr store1 < 8.458 and attr store1 > 8.398 ) and bondedto
      (attr store1 < 119.838  and attr store1 > 119.038 ))
6 0.1 0.1 peak 366 volume 15.75503 ppm1 8.428 ppm2 3.834
 
! ############### N15_CNnoesy.367 NOT folded
assi (attr store1 < 3.581 and attr store1 > 3.481 ) 
     ((attr store1 < 8.457 and attr store1 > 8.397 ) and bondedto
      (attr store1 < 119.856  and attr store1 > 119.056 ))
6 0.1 0.1 peak 367 volume 25.59740 ppm1 8.427 ppm2 3.531
 
! ############### N15_CNnoesy.368 NOT folded
assi (attr store1 < 2.155 and attr store1 > 2.055 ) 
     ((attr store1 < 8.458 and attr store1 > 8.398 ) and bondedto
      (attr store1 < 119.847  and attr store1 > 119.047 ))
6 0.1 0.1 peak 368 volume 83.38111 ppm1 8.428 ppm2 2.105
 
! ############### N15_CNnoesy.369 NOT folded
assi (attr store1 < 1.96 and attr store1 > 1.86 ) 
     ((attr store1 < 8.459 and attr store1 > 8.399 ) and bondedto
      (attr store1 < 119.859  and attr store1 > 119.059 ))
6 0.1 0.1 peak 369 volume 59.51749 ppm1 8.429 ppm2 1.910
 
! ############### N15_CNnoesy.370 NOT folded
assi (attr store1 < 1.415 and attr store1 > 1.315 ) 
     ((attr store1 < 8.459 and attr store1 > 8.399 ) and bondedto
      (attr store1 < 119.866  and attr store1 > 119.066 ))
6 0.1 0.1 peak 370 volume 9.98923 ppm1 8.429 ppm2 1.365
 
! ############### N15_CNnoesy.371 NOT folded
assi (attr store1 < 0.923 and attr store1 > 0.823 ) 
     ((attr store1 < 8.458 and attr store1 > 8.398 ) and bondedto
      (attr store1 < 119.848  and attr store1 > 119.048 ))
6 0.1 0.1 peak 371 volume 58.97844 ppm1 8.428 ppm2 0.873
 
! ############### N15_CNnoesy.372 NOT folded
assi (attr store1 < 4.897 and attr store1 > 4.797 ) 
     ((attr store1 < 7.921 and attr store1 > 7.861 ) and bondedto
      (attr store1 < 119.854  and attr store1 > 119.054 ))
6 0.1 0.1 peak 372 volume 5.70259 ppm1 7.891 ppm2 4.847
 
! ############### N15_CNnoesy.373 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 8.472 and attr store1 > 8.412 ) and bondedto
      (attr store1 < 119.81  and attr store1 > 119.01 ))
6 0.1 0.1 peak 373 volume 138.65405 ppm1 8.442 ppm2 4.839
 
! ############### N15_CNnoesy.374 NOT folded
assi (attr store1 < 8.743 and attr store1 > 8.643 ) 
     ((attr store1 < 8.461 and attr store1 > 8.401 ) and bondedto
      (attr store1 < 119.796  and attr store1 > 118.996 ))
6 0.1 0.1 peak 374 volume 15.69748 ppm1 8.431 ppm2 8.693
 
! ############### N15_CNnoesy.375 NOT folded
assi (attr store1 < 8.038 and attr store1 > 7.938 ) 
     ((attr store1 < 8.46 and attr store1 > 8.4 ) and bondedto
      (attr store1 < 119.834  and attr store1 > 119.034 ))
6 0.1 0.1 peak 375 volume 26.60171 ppm1 8.430 ppm2 7.988
 
! ############### N15_CNnoesy.376 NOT folded
assi (attr store1 < 4.373 and attr store1 > 4.273 ) 
     ((attr store1 < 8.464 and attr store1 > 8.404 ) and bondedto
      (attr store1 < 119.818  and attr store1 > 119.018 ))
6 0.1 0.1 peak 376 volume 16.39916 ppm1 8.434 ppm2 4.323
 
! ############### N15_CNnoesy.377 NOT folded
assi (attr store1 < 2.435 and attr store1 > 2.335 ) 
     ((attr store1 < 8.46 and attr store1 > 8.4 ) and bondedto
      (attr store1 < 119.813  and attr store1 > 119.013 ))
6 0.1 0.1 peak 377 volume 5.84411 ppm1 8.430 ppm2 2.385
 
! ############### N15_CNnoesy.378 NOT folded
assi (attr store1 < 1.614 and attr store1 > 1.514 ) 
     ((attr store1 < 8.454 and attr store1 > 8.394 ) and bondedto
      (attr store1 < 119.827  and attr store1 > 119.027 ))
6 0.1 0.1 peak 378 volume 7.23430 ppm1 8.424 ppm2 1.564
 
! ############### N15_CNnoesy.379 NOT folded
assi (attr store1 < 2.426 and attr store1 > 2.326 ) 
     ((attr store1 < 8.041 and attr store1 > 7.981 ) and bondedto
      (attr store1 < 119.817  and attr store1 > 119.017 ))
6 0.1 0.1 peak 379 volume 8.91788 ppm1 8.011 ppm2 2.376
 
! ############### N15_CNnoesy.380 NOT folded
assi (attr store1 < 8.711 and attr store1 > 8.611 ) 
     ((attr store1 < 8.04 and attr store1 > 7.98 ) and bondedto
      (attr store1 < 119.804  and attr store1 > 119.004 ))
6 0.1 0.1 peak 380 volume 26.73074 ppm1 8.010 ppm2 8.661
 
! ############### N15_CNnoesy.381 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 8.039 and attr store1 > 7.979 ) and bondedto
      (attr store1 < 119.802  and attr store1 > 119.002 ))
6 0.1 0.1 peak 381 volume 138.70062 ppm1 8.009 ppm2 4.839
 
! ############### N15_CNnoesy.382 NOT folded
assi (attr store1 < 4.616 and attr store1 > 4.516 ) 
     ((attr store1 < 8.04 and attr store1 > 7.98 ) and bondedto
      (attr store1 < 119.792  and attr store1 > 118.992 ))
6 0.1 0.1 peak 382 volume 16.92103 ppm1 8.010 ppm2 4.566
 
! ############### N15_CNnoesy.383 NOT folded
assi (attr store1 < 4.356 and attr store1 > 4.256 ) 
     ((attr store1 < 8.037 and attr store1 > 7.977 ) and bondedto
      (attr store1 < 119.79  and attr store1 > 118.99 ))
6 0.1 0.1 peak 383 volume 8.25162 ppm1 8.007 ppm2 4.306
 
! ############### N15_CNnoesy.384 NOT folded
assi (attr store1 < 2.648 and attr store1 > 2.548 ) 
     ((attr store1 < 8.039 and attr store1 > 7.979 ) and bondedto
      (attr store1 < 119.774  and attr store1 > 118.974 ))
6 0.1 0.1 peak 384 volume 10.95289 ppm1 8.009 ppm2 2.598
 
! ############### N15_CNnoesy.385 NOT folded
assi (attr store1 < 2.193 and attr store1 > 2.093 ) 
     ((attr store1 < 8.039 and attr store1 > 7.979 ) and bondedto
      (attr store1 < 119.797  and attr store1 > 118.997 ))
6 0.1 0.1 peak 385 volume 30.76098 ppm1 8.009 ppm2 2.143
 
! ############### N15_CNnoesy.386 NOT folded
assi (attr store1 < 1.992 and attr store1 > 1.892 ) 
     ((attr store1 < 8.039 and attr store1 > 7.979 ) and bondedto
      (attr store1 < 119.795  and attr store1 > 118.995 ))
6 0.1 0.1 peak 386 volume 40.60883 ppm1 8.009 ppm2 1.942
 
! ############### N15_CNnoesy.387 NOT folded
assi (attr store1 < 1.404 and attr store1 > 1.304 ) 
     ((attr store1 < 8.037 and attr store1 > 7.977 ) and bondedto
      (attr store1 < 119.758  and attr store1 > 118.958 ))
6 0.1 0.1 peak 387 volume 8.88532 ppm1 8.007 ppm2 1.354
 
! ############### N15_CNnoesy.388 NOT folded
assi (attr store1 < 0.816 and attr store1 > 0.716 ) 
     ((attr store1 < 8.038 and attr store1 > 7.978 ) and bondedto
      (attr store1 < 119.733  and attr store1 > 118.933 ))
6 0.1 0.1 peak 388 volume 8.33012 ppm1 8.008 ppm2 0.766
 
! ############### N15_CNnoesy.389 NOT folded
assi (attr store1 < 8.768 and attr store1 > 8.668 ) 
     ((attr store1 < 8.748 and attr store1 > 8.688 ) and bondedto
      (attr store1 < 119.606  and attr store1 > 118.806 ))
6 0.1 0.1 peak 389 volume 496.30286 ppm1 8.718 ppm2 8.718
 
! ############### N15_CNnoesy.390 NOT folded
assi (attr store1 < 8.241 and attr store1 > 8.141 ) 
     ((attr store1 < 8.749 and attr store1 > 8.689 ) and bondedto
      (attr store1 < 119.615  and attr store1 > 118.815 ))
6 0.1 0.1 peak 390 volume 38.23258 ppm1 8.719 ppm2 8.191
 
! ############### N15_CNnoesy.391 NOT folded
assi (attr store1 < 7.348 and attr store1 > 7.248 ) 
     ((attr store1 < 8.75 and attr store1 > 8.69 ) and bondedto
      (attr store1 < 119.666  and attr store1 > 118.866 ))
6 0.1 0.1 peak 391 volume 6.30109 ppm1 8.720 ppm2 7.298
 
! ############### N15_CNnoesy.392 NOT folded
assi (attr store1 < 7.17 and attr store1 > 7.07 ) 
     ((attr store1 < 8.748 and attr store1 > 8.688 ) and bondedto
      (attr store1 < 119.632  and attr store1 > 118.832 ))
6 0.1 0.1 peak 392 volume 32.91040 ppm1 8.718 ppm2 7.120
 
! ############### N15_CNnoesy.393 NOT folded
assi (attr store1 < 4.315 and attr store1 > 4.215 ) 
     ((attr store1 < 8.748 and attr store1 > 8.688 ) and bondedto
      (attr store1 < 119.622  and attr store1 > 118.822 ))
6 0.1 0.1 peak 393 volume 22.28014 ppm1 8.718 ppm2 4.265
 
! ############### N15_CNnoesy.394 NOT folded
assi (attr store1 < 4.081 and attr store1 > 3.981 ) 
     ((attr store1 < 8.749 and attr store1 > 8.689 ) and bondedto
      (attr store1 < 119.617  and attr store1 > 118.817 ))
6 0.1 0.1 peak 394 volume 38.23034 ppm1 8.719 ppm2 4.031
 
! ############### N15_CNnoesy.395 NOT folded
assi (attr store1 < 2.637 and attr store1 > 2.537 ) 
     ((attr store1 < 8.748 and attr store1 > 8.688 ) and bondedto
      (attr store1 < 119.607  and attr store1 > 118.807 ))
6 0.1 0.1 peak 395 volume 32.47630 ppm1 8.718 ppm2 2.587
 
! ############### N15_CNnoesy.396 NOT folded
assi (attr store1 < 2.46 and attr store1 > 2.36 ) 
     ((attr store1 < 8.748 and attr store1 > 8.688 ) and bondedto
      (attr store1 < 119.629  and attr store1 > 118.829 ))
6 0.1 0.1 peak 396 volume 23.63813 ppm1 8.718 ppm2 2.410
 
! ############### N15_CNnoesy.397 NOT folded
assi (attr store1 < 2.32 and attr store1 > 2.22 ) 
     ((attr store1 < 8.748 and attr store1 > 8.688 ) and bondedto
      (attr store1 < 119.619  and attr store1 > 118.819 ))
6 0.1 0.1 peak 397 volume 67.45272 ppm1 8.718 ppm2 2.270
 
! ############### N15_CNnoesy.398 NOT folded
assi (attr store1 < 2.175 and attr store1 > 2.075 ) 
     ((attr store1 < 8.748 and attr store1 > 8.688 ) and bondedto
      (attr store1 < 119.606  and attr store1 > 118.806 ))
6 0.1 0.1 peak 398 volume 44.42156 ppm1 8.718 ppm2 2.125
 
! ############### N15_CNnoesy.399 NOT folded
assi (attr store1 < 1.849 and attr store1 > 1.749 ) 
     ((attr store1 < 8.75 and attr store1 > 8.69 ) and bondedto
      (attr store1 < 119.611  and attr store1 > 118.811 ))
6 0.1 0.1 peak 399 volume 6.55279 ppm1 8.720 ppm2 1.799
 
! ############### N15_CNnoesy.400 NOT folded
assi (attr store1 < 1.293 and attr store1 > 1.193 ) 
     ((attr store1 < 8.75 and attr store1 > 8.69 ) and bondedto
      (attr store1 < 119.629  and attr store1 > 118.829 ))
6 0.1 0.1 peak 400 volume 9.33658 ppm1 8.720 ppm2 1.243
 
! ############### N15_CNnoesy.401 NOT folded
assi (attr store1 < 8.203 and attr store1 > 8.103 ) 
     ((attr store1 < 8.044 and attr store1 > 7.984 ) and bondedto
      (attr store1 < 119.617  and attr store1 > 118.817 ))
6 0.1 0.1 peak 401 volume 10.30113 ppm1 8.014 ppm2 8.153
 
! ############### N15_CNnoesy.402 NOT folded
assi (attr store1 < 8.062 and attr store1 > 7.962 ) 
     ((attr store1 < 8.036 and attr store1 > 7.976 ) and bondedto
      (attr store1 < 119.666  and attr store1 > 118.866 ))
6 0.1 0.1 peak 402 volume 124.47652 ppm1 8.006 ppm2 8.012
 
! ############### N15_CNnoesy.403 NOT folded
assi (attr store1 < 9.031 and attr store1 > 8.931 ) 
     ((attr store1 < 8.748 and attr store1 > 8.688 ) and bondedto
      (attr store1 < 119.57  and attr store1 > 118.77 ))
6 0.1 0.1 peak 403 volume 12.51066 ppm1 8.718 ppm2 8.981
 
! ############### N15_CNnoesy.404 NOT folded
assi (attr store1 < 8.507 and attr store1 > 8.407 ) 
     ((attr store1 < 8.747 and attr store1 > 8.687 ) and bondedto
      (attr store1 < 119.597  and attr store1 > 118.797 ))
6 0.1 0.1 peak 404 volume 16.98811 ppm1 8.717 ppm2 8.457
 
! ############### N15_CNnoesy.405 NOT folded
assi (attr store1 < 3.838 and attr store1 > 3.738 ) 
     ((attr store1 < 8.75 and attr store1 > 8.69 ) and bondedto
      (attr store1 < 119.576  and attr store1 > 118.776 ))
6 0.1 0.1 peak 405 volume 9.65614 ppm1 8.720 ppm2 3.788
 
! ############### N15_CNnoesy.406 NOT folded
assi (attr store1 < 0.947 and attr store1 > 0.847 ) 
     ((attr store1 < 8.748 and attr store1 > 8.688 ) and bondedto
      (attr store1 < 119.595  and attr store1 > 118.795 ))
6 0.1 0.1 peak 406 volume 32.15433 ppm1 8.718 ppm2 0.897
 
! ############### N15_CNnoesy.407 NOT folded
assi (attr store1 < 8.188 and attr store1 > 8.088 ) 
     ((attr store1 < 8.684 and attr store1 > 8.624 ) and bondedto
      (attr store1 < 119.534  and attr store1 > 118.734 ))
6 0.1 0.1 peak 407 volume 5.84930 ppm1 8.654 ppm2 8.138
 
! ############### N15_CNnoesy.408 NOT folded
assi (attr store1 < 8.764 and attr store1 > 8.664 ) 
     ((attr store1 < 8.31 and attr store1 > 8.25 ) and bondedto
      (attr store1 < 119.569  and attr store1 > 118.769 ))
6 0.1 0.1 peak 408 volume 7.36391 ppm1 8.280 ppm2 8.714
 
! ############### N15_CNnoesy.409 NOT folded
assi (attr store1 < 8.898 and attr store1 > 8.798 ) 
     ((attr store1 < 8.216 and attr store1 > 8.156 ) and bondedto
      (attr store1 < 119.537  and attr store1 > 118.737 ))
6 0.1 0.1 peak 409 volume 8.63153 ppm1 8.186 ppm2 8.848
 
! ############### N15_CNnoesy.410 NOT folded
assi (attr store1 < 8.498 and attr store1 > 8.398 ) 
     ((attr store1 < 8.214 and attr store1 > 8.154 ) and bondedto
      (attr store1 < 119.549  and attr store1 > 118.749 ))
6 0.1 0.1 peak 410 volume 24.72697 ppm1 8.184 ppm2 8.448
 
! ############### N15_CNnoesy.411 NOT folded
assi (attr store1 < 8.236 and attr store1 > 8.136 ) 
     ((attr store1 < 8.216 and attr store1 > 8.156 ) and bondedto
      (attr store1 < 119.504  and attr store1 > 118.704 ))
6 0.1 0.1 peak 411 volume 727.76404 ppm1 8.186 ppm2 8.186
 
! ############### N15_CNnoesy.412 NOT folded
assi (attr store1 < 8.068 and attr store1 > 7.968 ) 
     ((attr store1 < 8.214 and attr store1 > 8.154 ) and bondedto
      (attr store1 < 119.543  and attr store1 > 118.743 ))
6 0.1 0.1 peak 412 volume 29.87525 ppm1 8.184 ppm2 8.018
 
! ############### N15_CNnoesy.413 NOT folded
assi (attr store1 < 7.988 and attr store1 > 7.888 ) 
     ((attr store1 < 8.214 and attr store1 > 8.154 ) and bondedto
      (attr store1 < 119.563  and attr store1 > 118.763 ))
6 0.1 0.1 peak 413 volume 32.71090 ppm1 8.184 ppm2 7.938
 
! ############### N15_CNnoesy.414 NOT folded
assi (attr store1 < 7.566 and attr store1 > 7.466 ) 
     ((attr store1 < 8.218 and attr store1 > 8.158 ) and bondedto
      (attr store1 < 119.558  and attr store1 > 118.758 ))
6 0.1 0.1 peak 414 volume 7.23725 ppm1 8.188 ppm2 7.516
 
! ############### N15_CNnoesy.415 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 8.211 and attr store1 > 8.151 ) and bondedto
      (attr store1 < 119.594  and attr store1 > 118.794 ))
6 0.1 0.1 peak 415 volume 46.16178 ppm1 8.181 ppm2 4.840
 
! ############### N15_CNnoesy.416 NOT folded
assi (attr store1 < 4.62 and attr store1 > 4.52 ) 
     ((attr store1 < 8.213 and attr store1 > 8.153 ) and bondedto
      (attr store1 < 119.598  and attr store1 > 118.798 ))
6 0.1 0.1 peak 416 volume 10.47930 ppm1 8.183 ppm2 4.570
 
! ############### N15_CNnoesy.417 NOT folded
assi (attr store1 < 4.34 and attr store1 > 4.24 ) 
     ((attr store1 < 8.214 and attr store1 > 8.154 ) and bondedto
      (attr store1 < 119.54  and attr store1 > 118.74 ))
6 0.1 0.1 peak 417 volume 54.01708 ppm1 8.184 ppm2 4.290
 
! ############### N15_CNnoesy.418 NOT folded
assi (attr store1 < 4.074 and attr store1 > 3.974 ) 
     ((attr store1 < 8.214 and attr store1 > 8.154 ) and bondedto
      (attr store1 < 119.557  and attr store1 > 118.757 ))
6 0.1 0.1 peak 418 volume 15.90561 ppm1 8.184 ppm2 4.024
 
! ############### N15_CNnoesy.419 NOT folded
assi (attr store1 < 1.906 and attr store1 > 1.806 ) 
     ((attr store1 < 8.215 and attr store1 > 8.155 ) and bondedto
      (attr store1 < 119.543  and attr store1 > 118.743 ))
6 0.1 0.1 peak 419 volume 103.08352 ppm1 8.185 ppm2 1.856
 
! ############### N15_CNnoesy.420 NOT folded
assi (attr store1 < 1.651 and attr store1 > 1.551 ) 
     ((attr store1 < 8.214 and attr store1 > 8.154 ) and bondedto
      (attr store1 < 119.569  and attr store1 > 118.769 ))
6 0.1 0.1 peak 420 volume 57.15222 ppm1 8.184 ppm2 1.601
 
! ############### N15_CNnoesy.421 NOT folded
assi (attr store1 < 1.047 and attr store1 > 0.947 ) 
     ((attr store1 < 8.216 and attr store1 > 8.156 ) and bondedto
      (attr store1 < 119.556  and attr store1 > 118.756 ))
6 0.1 0.1 peak 421 volume 29.13235 ppm1 8.186 ppm2 0.997
 
! ############### N15_CNnoesy.422 NOT folded
assi (attr store1 < 8.065 and attr store1 > 7.965 ) 
     ((attr store1 < 8.12 and attr store1 > 8.06 ) and bondedto
      (attr store1 < 119.513  and attr store1 > 118.713 ))
6 0.1 0.1 peak 422 volume 5.90057 ppm1 8.090 ppm2 8.015
 
! ############### N15_CNnoesy.423 NOT folded
assi (attr store1 < 8.24 and attr store1 > 8.14 ) 
     ((attr store1 < 7.947 and attr store1 > 7.887 ) and bondedto
      (attr store1 < 119.509  and attr store1 > 118.709 ))
6 0.1 0.1 peak 423 volume 11.50062 ppm1 7.917 ppm2 8.190
 
! ############### N15_CNnoesy.424 NOT folded
assi (attr store1 < 8.969 and attr store1 > 8.869 ) 
     ((attr store1 < 8.684 and attr store1 > 8.624 ) and bondedto
      (attr store1 < 119.412  and attr store1 > 118.612 ))
6 0.1 0.1 peak 424 volume 11.65662 ppm1 8.654 ppm2 8.919
 
! ############### N15_CNnoesy.425 NOT folded
assi (attr store1 < 8.459 and attr store1 > 8.359 ) 
     ((attr store1 < 8.683 and attr store1 > 8.623 ) and bondedto
      (attr store1 < 119.399  and attr store1 > 118.599 ))
6 0.1 0.1 peak 425 volume 46.84224 ppm1 8.653 ppm2 8.409
 
! ############### N15_CNnoesy.426 NOT folded
assi (attr store1 < 7.649 and attr store1 > 7.549 ) 
     ((attr store1 < 8.682 and attr store1 > 8.622 ) and bondedto
      (attr store1 < 119.397  and attr store1 > 118.597 ))
6 0.1 0.1 peak 426 volume 7.39298 ppm1 8.652 ppm2 7.599
 
! ############### N15_CNnoesy.427 NOT folded
assi (attr store1 < 7.458 and attr store1 > 7.358 ) 
     ((attr store1 < 8.684 and attr store1 > 8.624 ) and bondedto
      (attr store1 < 119.397  and attr store1 > 118.597 ))
6 0.1 0.1 peak 427 volume 29.51642 ppm1 8.654 ppm2 7.408
 
! ############### N15_CNnoesy.428 NOT folded
assi (attr store1 < 4.895 and attr store1 > 4.795 ) 
     ((attr store1 < 8.684 and attr store1 > 8.624 ) and bondedto
      (attr store1 < 119.475  and attr store1 > 118.675 ))
6 0.1 0.1 peak 428 volume 9.48474 ppm1 8.654 ppm2 4.845
 
! ############### N15_CNnoesy.429 NOT folded
assi (attr store1 < 4.523 and attr store1 > 4.423 ) 
     ((attr store1 < 8.685 and attr store1 > 8.625 ) and bondedto
      (attr store1 < 119.407  and attr store1 > 118.607 ))
6 0.1 0.1 peak 429 volume 13.71169 ppm1 8.655 ppm2 4.473
 
! ############### N15_CNnoesy.430 NOT folded
assi (attr store1 < 4.251 and attr store1 > 4.151 ) 
     ((attr store1 < 8.684 and attr store1 > 8.624 ) and bondedto
      (attr store1 < 119.388  and attr store1 > 118.588 ))
6 0.1 0.1 peak 430 volume 32.35643 ppm1 8.654 ppm2 4.201
 
! ############### N15_CNnoesy.431 NOT folded
assi (attr store1 < 2.073 and attr store1 > 1.973 ) 
     ((attr store1 < 8.684 and attr store1 > 8.624 ) and bondedto
      (attr store1 < 119.382  and attr store1 > 118.582 ))
6 0.1 0.1 peak 431 volume 72.97321 ppm1 8.654 ppm2 2.023
 
! ############### N15_CNnoesy.432 NOT folded
assi (attr store1 < 1.887 and attr store1 > 1.787 ) 
     ((attr store1 < 8.684 and attr store1 > 8.624 ) and bondedto
      (attr store1 < 119.38  and attr store1 > 118.58 ))
6 0.1 0.1 peak 432 volume 36.96038 ppm1 8.654 ppm2 1.837
 
! ############### N15_CNnoesy.433 NOT folded
assi (attr store1 < 8.763 and attr store1 > 8.663 ) 
     ((attr store1 < 8.219 and attr store1 > 8.159 ) and bondedto
      (attr store1 < 119.431  and attr store1 > 118.631 ))
6 0.1 0.1 peak 433 volume 43.63309 ppm1 8.189 ppm2 8.713
 
! ############### N15_CNnoesy.434 NOT folded
assi (attr store1 < 7.055 and attr store1 > 6.955 ) 
     ((attr store1 < 8.219 and attr store1 > 8.159 ) and bondedto
      (attr store1 < 119.437  and attr store1 > 118.637 ))
6 0.1 0.1 peak 434 volume 53.21083 ppm1 8.189 ppm2 7.005
 
! ############### N15_CNnoesy.435 NOT folded
assi (attr store1 < 3.858 and attr store1 > 3.758 ) 
     ((attr store1 < 8.219 and attr store1 > 8.159 ) and bondedto
      (attr store1 < 119.388  and attr store1 > 118.588 ))
6 0.1 0.1 peak 435 volume 15.93762 ppm1 8.189 ppm2 3.808
 
! ############### N15_CNnoesy.436 NOT folded
assi (attr store1 < 0.923 and attr store1 > 0.823 ) 
     ((attr store1 < 8.218 and attr store1 > 8.158 ) and bondedto
      (attr store1 < 119.417  and attr store1 > 118.617 ))
6 0.1 0.1 peak 436 volume 42.62951 ppm1 8.188 ppm2 0.873
 
! ############### N15_CNnoesy.437 NOT folded
assi (attr store1 < 7.841 and attr store1 > 7.741 ) 
     ((attr store1 < 7.153 and attr store1 > 7.093 ) and bondedto
      (attr store1 < 119.375  and attr store1 > 118.575 ))
6 0.1 0.1 peak 437 volume 7.05507 ppm1 7.123 ppm2 7.791
 
! ############### N15_CNnoesy.438 NOT folded
assi (attr store1 < 9.051 and attr store1 > 8.951 ) 
     ((attr store1 < 9.031 and attr store1 > 8.971 ) and bondedto
      (attr store1 < 119.277  and attr store1 > 118.477 ))
6 0.1 0.1 peak 438 volume 146.41531 ppm1 9.001 ppm2 9.001
 
! ############### N15_CNnoesy.439 NOT folded
assi (attr store1 < 7.031 and attr store1 > 6.931 ) 
     ((attr store1 < 9.032 and attr store1 > 8.972 ) and bondedto
      (attr store1 < 119.283  and attr store1 > 118.483 ))
6 0.1 0.1 peak 439 volume 10.33864 ppm1 9.002 ppm2 6.981
 
! ############### N15_CNnoesy.440 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 9.031 and attr store1 > 8.971 ) and bondedto
      (attr store1 < 119.271  and attr store1 > 118.471 ))
6 0.1 0.1 peak 440 volume 111.27251 ppm1 9.001 ppm2 4.840
 
! ############### N15_CNnoesy.441 NOT folded
assi (attr store1 < 3.346 and attr store1 > 3.246 ) 
     ((attr store1 < 9.032 and attr store1 > 8.972 ) and bondedto
      (attr store1 < 119.266  and attr store1 > 118.466 ))
6 0.1 0.1 peak 441 volume 11.35097 ppm1 9.002 ppm2 3.296
 
! ############### N15_CNnoesy.442 NOT folded
assi (attr store1 < 2.266 and attr store1 > 2.166 ) 
     ((attr store1 < 9.03 and attr store1 > 8.97 ) and bondedto
      (attr store1 < 119.269  and attr store1 > 118.469 ))
6 0.1 0.1 peak 442 volume 35.00208 ppm1 9.000 ppm2 2.216
 
! ############### N15_CNnoesy.443 NOT folded
assi (attr store1 < 4.424 and attr store1 > 4.324 ) 
     ((attr store1 < 9.029 and attr store1 > 8.969 ) and bondedto
      (attr store1 < 119.355  and attr store1 > 118.555 ))
6 0.1 0.1 peak 443 volume 7.06461 ppm1 8.999 ppm2 4.374
 
! ############### N15_CNnoesy.444 NOT folded
assi (attr store1 < 4.102 and attr store1 > 4.002 ) 
     ((attr store1 < 9.029 and attr store1 > 8.969 ) and bondedto
      (attr store1 < 119.277  and attr store1 > 118.477 ))
6 0.1 0.1 peak 444 volume 11.12950 ppm1 8.999 ppm2 4.052
 
! ############### N15_CNnoesy.445 NOT folded
assi (attr store1 < 2.622 and attr store1 > 2.522 ) 
     ((attr store1 < 9.028 and attr store1 > 8.968 ) and bondedto
      (attr store1 < 119.301  and attr store1 > 118.501 ))
6 0.1 0.1 peak 445 volume 10.79397 ppm1 8.998 ppm2 2.572
 
! ############### N15_CNnoesy.446 NOT folded
assi (attr store1 < 2.163 and attr store1 > 2.063 ) 
     ((attr store1 < 9.03 and attr store1 > 8.97 ) and bondedto
      (attr store1 < 119.29  and attr store1 > 118.49 ))
6 0.1 0.1 peak 446 volume 24.48466 ppm1 9.000 ppm2 2.113
 
! ############### N15_CNnoesy.447 NOT folded
assi (attr store1 < 8.706 and attr store1 > 8.606 ) 
     ((attr store1 < 8.685 and attr store1 > 8.625 ) and bondedto
      (attr store1 < 119.374  and attr store1 > 118.574 ))
6 0.1 0.1 peak 447 volume 392.45566 ppm1 8.655 ppm2 8.656
 
! ############### N15_CNnoesy.448 NOT folded
assi (attr store1 < 1.478 and attr store1 > 1.378 ) 
     ((attr store1 < 8.685 and attr store1 > 8.625 ) and bondedto
      (attr store1 < 119.335  and attr store1 > 118.535 ))
6 0.1 0.1 peak 448 volume 17.98719 ppm1 8.655 ppm2 1.428
 
! ############### N15_CNnoesy.449 NOT folded
assi (attr store1 < 1.324 and attr store1 > 1.224 ) 
     ((attr store1 < 8.684 and attr store1 > 8.624 ) and bondedto
      (attr store1 < 119.367  and attr store1 > 118.567 ))
6 0.1 0.1 peak 449 volume 13.35245 ppm1 8.654 ppm2 1.274
 
! ############### N15_CNnoesy.450 NOT folded
assi (attr store1 < 0.833 and attr store1 > 0.733 ) 
     ((attr store1 < 8.686 and attr store1 > 8.626 ) and bondedto
      (attr store1 < 119.332  and attr store1 > 118.532 ))
6 0.1 0.1 peak 450 volume 12.11580 ppm1 8.656 ppm2 0.783
 
! ############### N15_CNnoesy.451 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 8.143 and attr store1 > 8.083 ) and bondedto
      (attr store1 < 119.325  and attr store1 > 118.525 ))
6 0.1 0.1 peak 451 volume 31.45344 ppm1 8.113 ppm2 4.840
 
! ############### N15_CNnoesy.452 NOT folded
assi (attr store1 < 9.049 and attr store1 > 8.949 ) 
     ((attr store1 < 7.822 and attr store1 > 7.762 ) and bondedto
      (attr store1 < 119.327  and attr store1 > 118.527 ))
6 0.1 0.1 peak 452 volume 15.70469 ppm1 7.792 ppm2 8.999
 
! ############### N15_CNnoesy.453 NOT folded
assi (attr store1 < 8.196 and attr store1 > 8.096 ) 
     ((attr store1 < 7.822 and attr store1 > 7.762 ) and bondedto
      (attr store1 < 119.348  and attr store1 > 118.548 ))
6 0.1 0.1 peak 453 volume 38.33137 ppm1 7.792 ppm2 8.146
 
! ############### N15_CNnoesy.454 NOT folded
assi (attr store1 < 7.842 and attr store1 > 7.742 ) 
     ((attr store1 < 7.822 and attr store1 > 7.762 ) and bondedto
      (attr store1 < 119.33  and attr store1 > 118.53 ))
6 0.1 0.1 peak 454 volume 383.45267 ppm1 7.792 ppm2 7.792
 
! ############### N15_CNnoesy.455 NOT folded
assi (attr store1 < 7.686 and attr store1 > 7.586 ) 
     ((attr store1 < 7.824 and attr store1 > 7.764 ) and bondedto
      (attr store1 < 119.289  and attr store1 > 118.489 ))
6 0.1 0.1 peak 455 volume 15.20325 ppm1 7.794 ppm2 7.636
 
! ############### N15_CNnoesy.456 NOT folded
assi (attr store1 < 7.585 and attr store1 > 7.485 ) 
     ((attr store1 < 7.823 and attr store1 > 7.763 ) and bondedto
      (attr store1 < 119.32  and attr store1 > 118.52 ))
6 0.1 0.1 peak 456 volume 12.41794 ppm1 7.793 ppm2 7.535
 
! ############### N15_CNnoesy.457 NOT folded
assi (attr store1 < 4.891 and attr store1 > 4.791 ) 
     ((attr store1 < 7.823 and attr store1 > 7.763 ) and bondedto
      (attr store1 < 119.287  and attr store1 > 118.487 ))
6 0.1 0.1 peak 457 volume 40.95973 ppm1 7.793 ppm2 4.841
 
! ############### N15_CNnoesy.458 NOT folded
assi (attr store1 < 4.115 and attr store1 > 4.015 ) 
     ((attr store1 < 7.822 and attr store1 > 7.762 ) and bondedto
      (attr store1 < 119.331  and attr store1 > 118.531 ))
6 0.1 0.1 peak 458 volume 37.47187 ppm1 7.792 ppm2 4.065
 
! ############### N15_CNnoesy.459 NOT folded
assi (attr store1 < 3.902 and attr store1 > 3.802 ) 
     ((attr store1 < 7.822 and attr store1 > 7.762 ) and bondedto
      (attr store1 < 119.335  and attr store1 > 118.535 ))
6 0.1 0.1 peak 459 volume 12.54697 ppm1 7.792 ppm2 3.852
 
! ############### N15_CNnoesy.460 NOT folded
assi (attr store1 < 2.624 and attr store1 > 2.524 ) 
     ((attr store1 < 7.823 and attr store1 > 7.763 ) and bondedto
      (attr store1 < 119.304  and attr store1 > 118.504 ))
6 0.1 0.1 peak 460 volume 10.11187 ppm1 7.793 ppm2 2.574
 
! ############### N15_CNnoesy.461 NOT folded
assi (attr store1 < 2.444 and attr store1 > 2.344 ) 
     ((attr store1 < 7.822 and attr store1 > 7.762 ) and bondedto
      (attr store1 < 119.345  and attr store1 > 118.545 ))
6 0.1 0.1 peak 461 volume 25.33172 ppm1 7.792 ppm2 2.394
 
! ############### N15_CNnoesy.462 NOT folded
assi (attr store1 < 2.292 and attr store1 > 2.192 ) 
     ((attr store1 < 7.822 and attr store1 > 7.762 ) and bondedto
      (attr store1 < 119.341  and attr store1 > 118.541 ))
6 0.1 0.1 peak 462 volume 82.35770 ppm1 7.792 ppm2 2.242
 
! ############### N15_CNnoesy.463 NOT folded
assi (attr store1 < 1.436 and attr store1 > 1.336 ) 
     ((attr store1 < 7.82 and attr store1 > 7.76 ) and bondedto
      (attr store1 < 119.337  and attr store1 > 118.537 ))
6 0.1 0.1 peak 463 volume 6.97881 ppm1 7.790 ppm2 1.386
 
! ############### N15_CNnoesy.464 NOT folded
assi (attr store1 < 0.936 and attr store1 > 0.836 ) 
     ((attr store1 < 7.819 and attr store1 > 7.759 ) and bondedto
      (attr store1 < 119.353  and attr store1 > 118.553 ))
6 0.1 0.1 peak 464 volume 6.70403 ppm1 7.789 ppm2 0.886
 
! ############### N15_CNnoesy.465 NOT folded
assi (attr store1 < 8.768 and attr store1 > 8.668 ) 
     ((attr store1 < 7.151 and attr store1 > 7.091 ) and bondedto
      (attr store1 < 119.302  and attr store1 > 118.502 ))
6 0.1 0.1 peak 465 volume 31.18147 ppm1 7.121 ppm2 8.718
 
! ############### N15_CNnoesy.466 NOT folded
assi (attr store1 < 8.591 and attr store1 > 8.491 ) 
     ((attr store1 < 7.151 and attr store1 > 7.091 ) and bondedto
      (attr store1 < 119.271  and attr store1 > 118.471 ))
6 0.1 0.1 peak 466 volume 7.20443 ppm1 7.121 ppm2 8.541
 
! ############### N15_CNnoesy.467 NOT folded
assi (attr store1 < 7.358 and attr store1 > 7.258 ) 
     ((attr store1 < 7.151 and attr store1 > 7.091 ) and bondedto
      (attr store1 < 119.307  and attr store1 > 118.507 ))
6 0.1 0.1 peak 467 volume 49.38877 ppm1 7.121 ppm2 7.308
 
! ############### N15_CNnoesy.468 NOT folded
assi (attr store1 < 7.172 and attr store1 > 7.072 ) 
     ((attr store1 < 7.152 and attr store1 > 7.092 ) and bondedto
      (attr store1 < 119.305  and attr store1 > 118.505 ))
6 0.1 0.1 peak 468 volume 436.83334 ppm1 7.122 ppm2 7.122
 
! ############### N15_CNnoesy.469 NOT folded
assi (attr store1 < 6.907 and attr store1 > 6.807 ) 
     ((attr store1 < 7.151 and attr store1 > 7.091 ) and bondedto
      (attr store1 < 119.286  and attr store1 > 118.486 ))
6 0.1 0.1 peak 469 volume 12.59856 ppm1 7.121 ppm2 6.857
 
! ############### N15_CNnoesy.470 NOT folded
assi (attr store1 < 4.355 and attr store1 > 4.255 ) 
     ((attr store1 < 7.152 and attr store1 > 7.092 ) and bondedto
      (attr store1 < 119.329  and attr store1 > 118.529 ))
6 0.1 0.1 peak 470 volume 16.19420 ppm1 7.122 ppm2 4.305
 
! ############### N15_CNnoesy.471 NOT folded
assi (attr store1 < 4.075 and attr store1 > 3.975 ) 
     ((attr store1 < 7.152 and attr store1 > 7.092 ) and bondedto
      (attr store1 < 119.295  and attr store1 > 118.495 ))
6 0.1 0.1 peak 471 volume 11.92204 ppm1 7.122 ppm2 4.025
 
! ############### N15_CNnoesy.472 NOT folded
assi (attr store1 < 3.78 and attr store1 > 3.68 ) 
     ((attr store1 < 7.152 and attr store1 > 7.092 ) and bondedto
      (attr store1 < 119.306  and attr store1 > 118.506 ))
6 0.1 0.1 peak 472 volume 33.57775 ppm1 7.122 ppm2 3.730
 
! ############### N15_CNnoesy.473 NOT folded
assi (attr store1 < 2.32 and attr store1 > 2.22 ) 
     ((attr store1 < 7.152 and attr store1 > 7.092 ) and bondedto
      (attr store1 < 119.301  and attr store1 > 118.501 ))
6 0.1 0.1 peak 473 volume 97.46955 ppm1 7.122 ppm2 2.270
 
! ############### N15_CNnoesy.474 NOT folded
assi (attr store1 < 1.831 and attr store1 > 1.731 ) 
     ((attr store1 < 7.152 and attr store1 > 7.092 ) and bondedto
      (attr store1 < 119.303  and attr store1 > 118.503 ))
6 0.1 0.1 peak 474 volume 12.34657 ppm1 7.122 ppm2 1.781
 
! ############### N15_CNnoesy.475 NOT folded
assi (attr store1 < 1.292 and attr store1 > 1.192 ) 
     ((attr store1 < 7.152 and attr store1 > 7.092 ) and bondedto
      (attr store1 < 119.304  and attr store1 > 118.504 ))
6 0.1 0.1 peak 475 volume 75.81797 ppm1 7.122 ppm2 1.242
 
! ############### N15_CNnoesy.476 NOT folded
assi (attr store1 < 1.09 and attr store1 > 0.99 ) 
     ((attr store1 < 7.153 and attr store1 > 7.093 ) and bondedto
      (attr store1 < 119.291  and attr store1 > 118.491 ))
6 0.1 0.1 peak 476 volume 22.73357 ppm1 7.123 ppm2 1.040
 
! ############### N15_CNnoesy.477 NOT folded
assi (attr store1 < 0.933 and attr store1 > 0.833 ) 
     ((attr store1 < 7.153 and attr store1 > 7.093 ) and bondedto
      (attr store1 < 119.295  and attr store1 > 118.495 ))
6 0.1 0.1 peak 477 volume 8.29996 ppm1 7.123 ppm2 0.883
 
! ############### N15_CNnoesy.478 NOT folded
assi (attr store1 < 7.172 and attr store1 > 7.072 ) 
     ((attr store1 < 6.882 and attr store1 > 6.822 ) and bondedto
      (attr store1 < 119.302  and attr store1 > 118.502 ))
6 0.1 0.1 peak 478 volume 6.16552 ppm1 6.852 ppm2 7.122
 
! ############### N15_CNnoesy.479 NOT folded
assi (attr store1 < 7.842 and attr store1 > 7.742 ) 
     ((attr store1 < 9.033 and attr store1 > 8.973 ) and bondedto
      (attr store1 < 119.249  and attr store1 > 118.449 ))
6 0.1 0.1 peak 479 volume 18.24222 ppm1 9.003 ppm2 7.792
 
! ############### N15_CNnoesy.480 NOT folded
assi (attr store1 < 3.907 and attr store1 > 3.807 ) 
     ((attr store1 < 9.03 and attr store1 > 8.97 ) and bondedto
      (attr store1 < 119.241  and attr store1 > 118.441 ))
6 0.1 0.1 peak 480 volume 20.94755 ppm1 9.000 ppm2 3.857
 
! ############### N15_CNnoesy.481 NOT folded
assi (attr store1 < 3.087 and attr store1 > 2.987 ) 
     ((attr store1 < 9.031 and attr store1 > 8.971 ) and bondedto
      (attr store1 < 119.25  and attr store1 > 118.45 ))
6 0.1 0.1 peak 481 volume 19.97416 ppm1 9.001 ppm2 3.037
 
! ############### N15_CNnoesy.482 NOT folded
assi (attr store1 < 9.052 and attr store1 > 8.952 ) 
     ((attr store1 < 8.952 and attr store1 > 8.892 ) and bondedto
      (attr store1 < 119.247  and attr store1 > 118.447 ))
6 0.1 0.1 peak 482 volume 7.49850 ppm1 8.922 ppm2 9.002
 
! ############### N15_CNnoesy.483 NOT folded
assi (attr store1 < 9.007 and attr store1 > 8.907 ) 
     ((attr store1 < 8.722 and attr store1 > 8.662 ) and bondedto
      (attr store1 < 118.996  and attr store1 > 118.196 ))
6 0.1 0.1 peak 483 volume 9.90661 ppm1 8.692 ppm2 8.957
 
! ############### N15_CNnoesy.484 NOT folded
assi (attr store1 < 8.741 and attr store1 > 8.641 ) 
     ((attr store1 < 8.721 and attr store1 > 8.661 ) and bondedto
      (attr store1 < 119.023  and attr store1 > 118.223 ))
6 0.1 0.1 peak 484 volume 295.21017 ppm1 8.691 ppm2 8.691
 
! ############### N15_CNnoesy.485 NOT folded
assi (attr store1 < 8.065 and attr store1 > 7.965 ) 
     ((attr store1 < 8.721 and attr store1 > 8.661 ) and bondedto
      (attr store1 < 118.983  and attr store1 > 118.183 ))
6 0.1 0.1 peak 485 volume 30.71844 ppm1 8.691 ppm2 8.015
 
! ############### N15_CNnoesy.486 NOT folded
assi (attr store1 < 7.786 and attr store1 > 7.686 ) 
     ((attr store1 < 8.722 and attr store1 > 8.662 ) and bondedto
      (attr store1 < 118.99  and attr store1 > 118.19 ))
6 0.1 0.1 peak 486 volume 32.86127 ppm1 8.692 ppm2 7.736
 
! ############### N15_CNnoesy.487 NOT folded
assi (attr store1 < 4.258 and attr store1 > 4.158 ) 
     ((attr store1 < 8.721 and attr store1 > 8.661 ) and bondedto
      (attr store1 < 119.018  and attr store1 > 118.218 ))
6 0.1 0.1 peak 487 volume 20.38252 ppm1 8.691 ppm2 4.208
 
! ############### N15_CNnoesy.488 NOT folded
assi (attr store1 < 3.523 and attr store1 > 3.423 ) 
     ((attr store1 < 8.722 and attr store1 > 8.662 ) and bondedto
      (attr store1 < 118.994  and attr store1 > 118.194 ))
6 0.1 0.1 peak 488 volume 24.83531 ppm1 8.692 ppm2 3.473
 
! ############### N15_CNnoesy.489 NOT folded
assi (attr store1 < 2.964 and attr store1 > 2.864 ) 
     ((attr store1 < 8.723 and attr store1 > 8.663 ) and bondedto
      (attr store1 < 118.997  and attr store1 > 118.197 ))
6 0.1 0.1 peak 489 volume 7.43038 ppm1 8.693 ppm2 2.914
 
! ############### N15_CNnoesy.490 NOT folded
assi (attr store1 < 2.111 and attr store1 > 2.011 ) 
     ((attr store1 < 8.721 and attr store1 > 8.661 ) and bondedto
      (attr store1 < 118.992  and attr store1 > 118.192 ))
6 0.1 0.1 peak 490 volume 76.00082 ppm1 8.691 ppm2 2.061
 
! ############### N15_CNnoesy.491 NOT folded
assi (attr store1 < 1.575 and attr store1 > 1.475 ) 
     ((attr store1 < 8.721 and attr store1 > 8.661 ) and bondedto
      (attr store1 < 118.992  and attr store1 > 118.192 ))
6 0.1 0.1 peak 491 volume 39.76917 ppm1 8.691 ppm2 1.525
 
! ############### N15_CNnoesy.492 NOT folded
assi (attr store1 < 1.074 and attr store1 > 0.974 ) 
     ((attr store1 < 8.721 and attr store1 > 8.661 ) and bondedto
      (attr store1 < 118.981  and attr store1 > 118.181 ))
6 0.1 0.1 peak 492 volume 18.86115 ppm1 8.691 ppm2 1.024
 
! ############### N15_CNnoesy.493 NOT folded
assi (attr store1 < 0.947 and attr store1 > 0.847 ) 
     ((attr store1 < 8.723 and attr store1 > 8.663 ) and bondedto
      (attr store1 < 118.998  and attr store1 > 118.198 ))
6 0.1 0.1 peak 493 volume 43.28814 ppm1 8.693 ppm2 0.897
 
! ############### N15_CNnoesy.494 NOT folded
assi (attr store1 < 4.841 and attr store1 > 4.741 ) 
     ((attr store1 < 8.36 and attr store1 > 8.3 ) and bondedto
      (attr store1 < 118.985  and attr store1 > 118.185 ))
6 0.1 0.1 peak 494 volume 11.72540 ppm1 8.330 ppm2 4.791
 
! ############### N15_CNnoesy.495 NOT folded
assi (attr store1 < 8.294 and attr store1 > 8.194 ) 
     ((attr store1 < 8.023 and attr store1 > 7.963 ) and bondedto
      (attr store1 < 118.941  and attr store1 > 118.141 ))
6 0.1 0.1 peak 495 volume 14.03754 ppm1 7.993 ppm2 8.244
 
! ############### N15_CNnoesy.496 NOT folded
assi (attr store1 < 8.046 and attr store1 > 7.946 ) 
     ((attr store1 < 8.022 and attr store1 > 7.962 ) and bondedto
      (attr store1 < 118.945  and attr store1 > 118.145 ))
6 0.1 0.1 peak 496 volume 416.77689 ppm1 7.992 ppm2 7.996
 
! ############### N15_CNnoesy.497 NOT folded
assi (attr store1 < 7.774 and attr store1 > 7.674 ) 
     ((attr store1 < 8.024 and attr store1 > 7.964 ) and bondedto
      (attr store1 < 118.947  and attr store1 > 118.147 ))
6 0.1 0.1 peak 497 volume 14.72535 ppm1 7.994 ppm2 7.724
 
! ############### N15_CNnoesy.498 NOT folded
assi (attr store1 < 4.104 and attr store1 > 4.004 ) 
     ((attr store1 < 8.022 and attr store1 > 7.962 ) and bondedto
      (attr store1 < 118.964  and attr store1 > 118.164 ))
6 0.1 0.1 peak 498 volume 37.01269 ppm1 7.992 ppm2 4.054
 
! ############### N15_CNnoesy.499 NOT folded
assi (attr store1 < 3.886 and attr store1 > 3.786 ) 
     ((attr store1 < 8.022 and attr store1 > 7.962 ) and bondedto
      (attr store1 < 118.957  and attr store1 > 118.157 ))
6 0.1 0.1 peak 499 volume 6.63358 ppm1 7.992 ppm2 3.836
 
! ############### N15_CNnoesy.500 NOT folded
assi (attr store1 < 3.583 and attr store1 > 3.483 ) 
     ((attr store1 < 8.023 and attr store1 > 7.963 ) and bondedto
      (attr store1 < 118.955  and attr store1 > 118.155 ))
6 0.1 0.1 peak 500 volume 8.31956 ppm1 7.993 ppm2 3.533
 
! ############### N15_CNnoesy.501 NOT folded
assi (attr store1 < 2.28 and attr store1 > 2.18 ) 
     ((attr store1 < 8.022 and attr store1 > 7.962 ) and bondedto
      (attr store1 < 118.952  and attr store1 > 118.152 ))
6 0.1 0.1 peak 501 volume 75.43171 ppm1 7.992 ppm2 2.230
 
! ############### N15_CNnoesy.502 NOT folded
assi (attr store1 < 2.141 and attr store1 > 2.041 ) 
     ((attr store1 < 8.023 and attr store1 > 7.963 ) and bondedto
      (attr store1 < 118.934  and attr store1 > 118.134 ))
6 0.1 0.1 peak 502 volume 41.17711 ppm1 7.993 ppm2 2.091
 
! ############### N15_CNnoesy.503 NOT folded
assi (attr store1 < 2.012 and attr store1 > 1.912 ) 
     ((attr store1 < 8.022 and attr store1 > 7.962 ) and bondedto
      (attr store1 < 118.959  and attr store1 > 118.159 ))
6 0.1 0.1 peak 503 volume 53.12981 ppm1 7.992 ppm2 1.962
 
! ############### N15_CNnoesy.504 NOT folded
assi (attr store1 < 1.527 and attr store1 > 1.427 ) 
     ((attr store1 < 8.023 and attr store1 > 7.963 ) and bondedto
      (attr store1 < 118.945  and attr store1 > 118.145 ))
6 0.1 0.1 peak 504 volume 21.92842 ppm1 7.993 ppm2 1.477
 
! ############### N15_CNnoesy.505 NOT folded
assi (attr store1 < 1.157 and attr store1 > 1.057 ) 
     ((attr store1 < 8.022 and attr store1 > 7.962 ) and bondedto
      (attr store1 < 118.942  and attr store1 > 118.142 ))
6 0.1 0.1 peak 505 volume 22.03046 ppm1 7.992 ppm2 1.107
 
! ############### N15_CNnoesy.506 NOT folded
assi (attr store1 < 0.917 and attr store1 > 0.817 ) 
     ((attr store1 < 8.022 and attr store1 > 7.962 ) and bondedto
      (attr store1 < 118.947  and attr store1 > 118.147 ))
6 0.1 0.1 peak 506 volume 30.45289 ppm1 7.992 ppm2 0.867
 
! ############### N15_CNnoesy.507 NOT folded
assi (attr store1 < 8.053 and attr store1 > 7.953 ) 
     ((attr store1 < 7.744 and attr store1 > 7.684 ) and bondedto
      (attr store1 < 118.985  and attr store1 > 118.185 ))
6 0.1 0.1 peak 507 volume 5.52419 ppm1 7.714 ppm2 8.003
 
! ############### N15_CNnoesy.508 NOT folded
assi (attr store1 < 8.491 and attr store1 > 8.391 ) 
     ((attr store1 < 8.021 and attr store1 > 7.961 ) and bondedto
      (attr store1 < 118.91  and attr store1 > 118.11 ))
6 0.1 0.1 peak 508 volume 24.39298 ppm1 7.991 ppm2 8.441
 
! ############### N15_CNnoesy.509 NOT folded
assi (attr store1 < 4.91 and attr store1 > 4.81 ) 
     ((attr store1 < 8.045 and attr store1 > 7.985 ) and bondedto
      (attr store1 < 118.73  and attr store1 > 117.93 ))
6 0.1 0.1 peak 509 volume 9.56348 ppm1 8.015 ppm2 4.860
 
! ############### N15_CNnoesy.510 NOT folded
assi (attr store1 < 8.074 and attr store1 > 7.974 ) 
     ((attr store1 < 8.444 and attr store1 > 8.384 ) and bondedto
      (attr store1 < 118.586  and attr store1 > 117.786 ))
6 0.1 0.1 peak 510 volume 30.30736 ppm1 8.414 ppm2 8.024
 
! ############### N15_CNnoesy.511 NOT folded
assi (attr store1 < 9.135 and attr store1 > 9.035 ) 
     ((attr store1 < 8.444 and attr store1 > 8.384 ) and bondedto
      (attr store1 < 118.524  and attr store1 > 117.724 ))
6 0.1 0.1 peak 511 volume 5.77910 ppm1 8.414 ppm2 9.085
 
! ############### N15_CNnoesy.512 NOT folded
assi (attr store1 < 8.717 and attr store1 > 8.617 ) 
     ((attr store1 < 8.446 and attr store1 > 8.386 ) and bondedto
      (attr store1 < 118.522  and attr store1 > 117.722 ))
6 0.1 0.1 peak 512 volume 59.65702 ppm1 8.416 ppm2 8.667
 
! ############### N15_CNnoesy.513 NOT folded
assi (attr store1 < 8.465 and attr store1 > 8.365 ) 
     ((attr store1 < 8.445 and attr store1 > 8.385 ) and bondedto
      (attr store1 < 118.49  and attr store1 > 117.69 ))
6 0.1 0.1 peak 513 volume 731.11182 ppm1 8.415 ppm2 8.415
 
! ############### N15_CNnoesy.514 NOT folded
assi (attr store1 < 4.178 and attr store1 > 4.078 ) 
     ((attr store1 < 8.445 and attr store1 > 8.385 ) and bondedto
      (attr store1 < 118.471  and attr store1 > 117.671 ))
6 0.1 0.1 peak 514 volume 50.81089 ppm1 8.415 ppm2 4.128
 
! ############### N15_CNnoesy.515 NOT folded
assi (attr store1 < 3.517 and attr store1 > 3.417 ) 
     ((attr store1 < 8.447 and attr store1 > 8.387 ) and bondedto
      (attr store1 < 118.546  and attr store1 > 117.746 ))
6 0.1 0.1 peak 515 volume 11.00190 ppm1 8.417 ppm2 3.467
 
! ############### N15_CNnoesy.516 NOT folded
assi (attr store1 < 2.979 and attr store1 > 2.879 ) 
     ((attr store1 < 8.447 and attr store1 > 8.387 ) and bondedto
      (attr store1 < 118.476  and attr store1 > 117.676 ))
6 0.1 0.1 peak 516 volume 7.04151 ppm1 8.417 ppm2 2.929
 
! ############### N15_CNnoesy.517 NOT folded
assi (attr store1 < 2.069 and attr store1 > 1.969 ) 
     ((attr store1 < 8.445 and attr store1 > 8.385 ) and bondedto
      (attr store1 < 118.484  and attr store1 > 117.684 ))
6 0.1 0.1 peak 517 volume 129.01216 ppm1 8.415 ppm2 2.019
 
! ############### N15_CNnoesy.518 NOT folded
assi (attr store1 < 1.84 and attr store1 > 1.74 ) 
     ((attr store1 < 8.445 and attr store1 > 8.385 ) and bondedto
      (attr store1 < 118.498  and attr store1 > 117.698 ))
6 0.1 0.1 peak 518 volume 81.77551 ppm1 8.415 ppm2 1.790
 
! ############### N15_CNnoesy.519 NOT folded
assi (attr store1 < 1.625 and attr store1 > 1.525 ) 
     ((attr store1 < 8.446 and attr store1 > 8.386 ) and bondedto
      (attr store1 < 118.507  and attr store1 > 117.707 ))
6 0.1 0.1 peak 519 volume 68.89420 ppm1 8.416 ppm2 1.575
 
! ############### N15_CNnoesy.520 NOT folded
assi (attr store1 < 1.327 and attr store1 > 1.227 ) 
     ((attr store1 < 8.446 and attr store1 > 8.386 ) and bondedto
      (attr store1 < 118.524  and attr store1 > 117.724 ))
6 0.1 0.1 peak 520 volume 26.40722 ppm1 8.416 ppm2 1.277
 
! ############### N15_CNnoesy.521 NOT folded
assi (attr store1 < 1.055 and attr store1 > 0.955 ) 
     ((attr store1 < 8.444 and attr store1 > 8.384 ) and bondedto
      (attr store1 < 118.484  and attr store1 > 117.684 ))
6 0.1 0.1 peak 521 volume 10.38784 ppm1 8.414 ppm2 1.005
 
! ############### N15_CNnoesy.522 NOT folded
assi (attr store1 < 0.827 and attr store1 > 0.727 ) 
     ((attr store1 < 8.446 and attr store1 > 8.386 ) and bondedto
      (attr store1 < 118.539  and attr store1 > 117.739 ))
6 0.1 0.1 peak 522 volume 41.30821 ppm1 8.416 ppm2 0.777
 
! ############### N15_CNnoesy.523 NOT folded
assi (attr store1 < 8.202 and attr store1 > 8.102 ) 
     ((attr store1 < 8.443 and attr store1 > 8.383 ) and bondedto
      (attr store1 < 118.491  and attr store1 > 117.691 ))
6 0.1 0.1 peak 523 volume 25.25194 ppm1 8.413 ppm2 8.152
 
! ############### N15_CNnoesy.524 NOT folded
assi (attr store1 < 7.788 and attr store1 > 7.688 ) 
     ((attr store1 < 8.444 and attr store1 > 8.384 ) and bondedto
      (attr store1 < 118.469  and attr store1 > 117.669 ))
6 0.1 0.1 peak 524 volume 39.68783 ppm1 8.414 ppm2 7.738
 
! ############### N15_CNnoesy.525 NOT folded
assi (attr store1 < 7.451 and attr store1 > 7.351 ) 
     ((attr store1 < 8.443 and attr store1 > 8.383 ) and bondedto
      (attr store1 < 118.505  and attr store1 > 117.705 ))
6 0.1 0.1 peak 525 volume 7.42654 ppm1 8.413 ppm2 7.401
 
! ############### N15_CNnoesy.526 NOT folded
assi (attr store1 < 8.473 and attr store1 > 8.373 ) 
     ((attr store1 < 8.229 and attr store1 > 8.169 ) and bondedto
      (attr store1 < 118.486  and attr store1 > 117.686 ))
6 0.1 0.1 peak 526 volume 7.90462 ppm1 8.199 ppm2 8.423
 
! ############### N15_CNnoesy.527 NOT folded
assi (attr store1 < 8.468 and attr store1 > 8.368 ) 
     ((attr store1 < 8.177 and attr store1 > 8.117 ) and bondedto
      (attr store1 < 118.45  and attr store1 > 117.65 ))
6 0.1 0.1 peak 527 volume 10.60996 ppm1 8.147 ppm2 8.418
 
! ############### N15_CNnoesy.528 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 8.448 and attr store1 > 8.388 ) and bondedto
      (attr store1 < 118.432  and attr store1 > 117.632 ))
6 0.1 0.1 peak 528 volume 45.21702 ppm1 8.418 ppm2 4.839
 
! ############### N15_CNnoesy.529 NOT folded
assi (attr store1 < 3.919 and attr store1 > 3.819 ) 
     ((attr store1 < 8.447 and attr store1 > 8.387 ) and bondedto
      (attr store1 < 118.433  and attr store1 > 117.633 ))
6 0.1 0.1 peak 529 volume 6.62031 ppm1 8.417 ppm2 3.869
 
! ############### N15_CNnoesy.530 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 8.304 and attr store1 > 8.244 ) and bondedto
      (attr store1 < 118.414  and attr store1 > 117.614 ))
6 0.1 0.1 peak 530 volume 18.22401 ppm1 8.274 ppm2 4.840
 
! ############### N15_CNnoesy.531 NOT folded
assi (attr store1 < 8.285 and attr store1 > 8.185 ) 
     ((attr store1 < 8.262 and attr store1 > 8.202 ) and bondedto
      (attr store1 < 118.423  and attr store1 > 117.623 ))
6 0.1 0.1 peak 531 volume 5.92988 ppm1 8.232 ppm2 8.235
 
! ############### N15_CNnoesy.532 NOT folded
assi (attr store1 < 8.367 and attr store1 > 8.267 ) 
     ((attr store1 < 7.832 and attr store1 > 7.772 ) and bondedto
      (attr store1 < 118.125  and attr store1 > 117.325 ))
6 0.1 0.1 peak 532 volume 13.51269 ppm1 7.802 ppm2 8.317
 
! ############### N15_CNnoesy.533 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.834 and attr store1 > 7.774 ) and bondedto
      (attr store1 < 118.108  and attr store1 > 117.308 ))
6 0.1 0.1 peak 533 volume 103.84317 ppm1 7.804 ppm2 4.839
 
! ############### N15_CNnoesy.534 NOT folded
assi (attr store1 < 4.029 and attr store1 > 3.929 ) 
     ((attr store1 < 7.832 and attr store1 > 7.772 ) and bondedto
      (attr store1 < 118.11  and attr store1 > 117.31 ))
6 0.1 0.1 peak 534 volume 9.67307 ppm1 7.802 ppm2 3.979
 
! ############### N15_CNnoesy.535 NOT folded
assi (attr store1 < 7.854 and attr store1 > 7.754 ) 
     ((attr store1 < 7.833 and attr store1 > 7.773 ) and bondedto
      (attr store1 < 118.078  and attr store1 > 117.278 ))
6 0.1 0.1 peak 535 volume 146.56235 ppm1 7.803 ppm2 7.804
 
! ############### N15_CNnoesy.536 NOT folded
assi (attr store1 < 4.436 and attr store1 > 4.336 ) 
     ((attr store1 < 7.833 and attr store1 > 7.773 ) and bondedto
      (attr store1 < 118.092  and attr store1 > 117.292 ))
6 0.1 0.1 peak 536 volume 21.83805 ppm1 7.803 ppm2 4.386
 
! ############### N15_CNnoesy.537 NOT folded
assi (attr store1 < 2.659 and attr store1 > 2.559 ) 
     ((attr store1 < 7.833 and attr store1 > 7.773 ) and bondedto
      (attr store1 < 118.095  and attr store1 > 117.295 ))
6 0.1 0.1 peak 537 volume 23.94538 ppm1 7.803 ppm2 2.609
 
! ############### N15_CNnoesy.538 NOT folded
assi (attr store1 < 2.322 and attr store1 > 2.222 ) 
     ((attr store1 < 7.833 and attr store1 > 7.773 ) and bondedto
      (attr store1 < 118.076  and attr store1 > 117.276 ))
6 0.1 0.1 peak 538 volume 42.88183 ppm1 7.803 ppm2 2.272
 
! ############### N15_CNnoesy.539 NOT folded
assi (attr store1 < 1.135 and attr store1 > 1.035 ) 
     ((attr store1 < 7.832 and attr store1 > 7.772 ) and bondedto
      (attr store1 < 118.085  and attr store1 > 117.285 ))
6 0.1 0.1 peak 539 volume 10.85674 ppm1 7.802 ppm2 1.085
 
! ############### N15_CNnoesy.540 NOT folded
assi (attr store1 < 4.16 and attr store1 > 4.06 ) 
     ((attr store1 < 7.825 and attr store1 > 7.765 ) and bondedto
      (attr store1 < 118.065  and attr store1 > 117.265 ))
6 0.1 0.1 peak 540 volume 6.67607 ppm1 7.795 ppm2 4.110
 
! ############### N15_CNnoesy.541 NOT folded
assi (attr store1 < 9.262 and attr store1 > 9.162 ) 
     ((attr store1 < 7.344 and attr store1 > 7.284 ) and bondedto
      (attr store1 < 117.885  and attr store1 > 117.085 ))
6 0.1 0.1 peak 541 volume 60.41732 ppm1 7.314 ppm2 9.212
 
! ############### N15_CNnoesy.542 NOT folded
assi (attr store1 < 7.628 and attr store1 > 7.528 ) 
     ((attr store1 < 7.343 and attr store1 > 7.283 ) and bondedto
      (attr store1 < 117.872  and attr store1 > 117.072 ))
6 0.1 0.1 peak 542 volume 9.93274 ppm1 7.313 ppm2 7.578
 
! ############### N15_CNnoesy.543 NOT folded
assi (attr store1 < 7.365 and attr store1 > 7.265 ) 
     ((attr store1 < 7.345 and attr store1 > 7.285 ) and bondedto
      (attr store1 < 117.886  and attr store1 > 117.086 ))
6 0.1 0.1 peak 543 volume 291.85434 ppm1 7.315 ppm2 7.315
 
! ############### N15_CNnoesy.544 NOT folded
assi (attr store1 < 4.887 and attr store1 > 4.787 ) 
     ((attr store1 < 7.343 and attr store1 > 7.283 ) and bondedto
      (attr store1 < 117.892  and attr store1 > 117.092 ))
6 0.1 0.1 peak 544 volume 21.58755 ppm1 7.313 ppm2 4.837
 
! ############### N15_CNnoesy.545 NOT folded
assi (attr store1 < 4.6 and attr store1 > 4.5 ) 
     ((attr store1 < 7.344 and attr store1 > 7.284 ) and bondedto
      (attr store1 < 117.899  and attr store1 > 117.099 ))
6 0.1 0.1 peak 545 volume 14.85636 ppm1 7.314 ppm2 4.550
 
! ############### N15_CNnoesy.546 NOT folded
assi (attr store1 < 4.142 and attr store1 > 4.042 ) 
     ((attr store1 < 7.345 and attr store1 > 7.285 ) and bondedto
      (attr store1 < 117.893  and attr store1 > 117.093 ))
6 0.1 0.1 peak 546 volume 24.37323 ppm1 7.315 ppm2 4.092
 
! ############### N15_CNnoesy.547 NOT folded
assi (attr store1 < 3.249 and attr store1 > 3.149 ) 
     ((attr store1 < 7.344 and attr store1 > 7.284 ) and bondedto
      (attr store1 < 117.904  and attr store1 > 117.104 ))
6 0.1 0.1 peak 547 volume 9.59948 ppm1 7.314 ppm2 3.199
 
! ############### N15_CNnoesy.548 NOT folded
assi (attr store1 < 1.813 and attr store1 > 1.713 ) 
     ((attr store1 < 7.344 and attr store1 > 7.284 ) and bondedto
      (attr store1 < 117.89  and attr store1 > 117.09 ))
6 0.1 0.1 peak 548 volume 42.88900 ppm1 7.314 ppm2 1.763
 
! ############### N15_CNnoesy.549 NOT folded
assi (attr store1 < 1.45 and attr store1 > 1.35 ) 
     ((attr store1 < 7.342 and attr store1 > 7.282 ) and bondedto
      (attr store1 < 117.874  and attr store1 > 117.074 ))
6 0.1 0.1 peak 549 volume 8.64268 ppm1 7.312 ppm2 1.400
 
! ############### N15_CNnoesy.550 NOT folded
assi (attr store1 < 1.025 and attr store1 > 0.925 ) 
     ((attr store1 < 7.344 and attr store1 > 7.284 ) and bondedto
      (attr store1 < 117.893  and attr store1 > 117.093 ))
6 0.1 0.1 peak 550 volume 45.25426 ppm1 7.314 ppm2 0.975
 
! ############### N15_CNnoesy.551 NOT folded
assi (attr store1 < 8.957 and attr store1 > 8.857 ) 
     ((attr store1 < 8.67 and attr store1 > 8.61 ) and bondedto
      (attr store1 < 117.821  and attr store1 > 117.021 ))
6 0.1 0.1 peak 551 volume 13.02293 ppm1 8.640 ppm2 8.907
 
! ############### N15_CNnoesy.552 NOT folded
assi (attr store1 < 8.693 and attr store1 > 8.593 ) 
     ((attr store1 < 8.672 and attr store1 > 8.612 ) and bondedto
      (attr store1 < 117.816  and attr store1 > 117.016 ))
6 0.1 0.1 peak 552 volume 508.68753 ppm1 8.642 ppm2 8.643
 
! ############### N15_CNnoesy.553 NOT folded
assi (attr store1 < 8.529 and attr store1 > 8.429 ) 
     ((attr store1 < 8.672 and attr store1 > 8.612 ) and bondedto
      (attr store1 < 117.837  and attr store1 > 117.037 ))
6 0.1 0.1 peak 553 volume 49.27232 ppm1 8.642 ppm2 8.479
 
! ############### N15_CNnoesy.554 NOT folded
assi (attr store1 < 8.123 and attr store1 > 8.023 ) 
     ((attr store1 < 8.672 and attr store1 > 8.612 ) and bondedto
      (attr store1 < 117.831  and attr store1 > 117.031 ))
6 0.1 0.1 peak 554 volume 24.68477 ppm1 8.642 ppm2 8.073
 
! ############### N15_CNnoesy.555 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 8.672 and attr store1 > 8.612 ) and bondedto
      (attr store1 < 117.786  and attr store1 > 116.986 ))
6 0.1 0.1 peak 555 volume 18.12167 ppm1 8.642 ppm2 4.839
 
! ############### N15_CNnoesy.556 NOT folded
assi (attr store1 < 4.322 and attr store1 > 4.222 ) 
     ((attr store1 < 8.672 and attr store1 > 8.612 ) and bondedto
      (attr store1 < 117.83  and attr store1 > 117.03 ))
6 0.1 0.1 peak 556 volume 42.12767 ppm1 8.642 ppm2 4.272
 
! ############### N15_CNnoesy.557 NOT folded
assi (attr store1 < 2.656 and attr store1 > 2.556 ) 
     ((attr store1 < 8.672 and attr store1 > 8.612 ) and bondedto
      (attr store1 < 117.838  and attr store1 > 117.038 ))
6 0.1 0.1 peak 557 volume 32.84033 ppm1 8.642 ppm2 2.606
 
! ############### N15_CNnoesy.558 NOT folded
assi (attr store1 < 2.398 and attr store1 > 2.298 ) 
     ((attr store1 < 8.671 and attr store1 > 8.611 ) and bondedto
      (attr store1 < 117.845  and attr store1 > 117.045 ))
6 0.1 0.1 peak 558 volume 27.74251 ppm1 8.641 ppm2 2.348
 
! ############### N15_CNnoesy.559 NOT folded
assi (attr store1 < 2.246 and attr store1 > 2.146 ) 
     ((attr store1 < 8.672 and attr store1 > 8.612 ) and bondedto
      (attr store1 < 117.834  and attr store1 > 117.034 ))
6 0.1 0.1 peak 559 volume 90.71860 ppm1 8.642 ppm2 2.196
 
! ############### N15_CNnoesy.560 NOT folded
assi (attr store1 < 2.053 and attr store1 > 1.953 ) 
     ((attr store1 < 8.672 and attr store1 > 8.612 ) and bondedto
      (attr store1 < 117.834  and attr store1 > 117.034 ))
6 0.1 0.1 peak 560 volume 29.84550 ppm1 8.642 ppm2 2.003
 
! ############### N15_CNnoesy.561 NOT folded
assi (attr store1 < 1.913 and attr store1 > 1.813 ) 
     ((attr store1 < 8.672 and attr store1 > 8.612 ) and bondedto
      (attr store1 < 117.819  and attr store1 > 117.019 ))
6 0.1 0.1 peak 561 volume 35.38377 ppm1 8.642 ppm2 1.863
 
! ############### N15_CNnoesy.562 NOT folded
assi (attr store1 < 1.109 and attr store1 > 1.009 ) 
     ((attr store1 < 8.672 and attr store1 > 8.612 ) and bondedto
      (attr store1 < 117.85  and attr store1 > 117.05 ))
6 0.1 0.1 peak 562 volume 13.11200 ppm1 8.642 ppm2 1.059
 
! ############### N15_CNnoesy.563 NOT folded
assi (attr store1 < 8.694 and attr store1 > 8.594 ) 
     ((attr store1 < 8.414 and attr store1 > 8.354 ) and bondedto
      (attr store1 < 117.805  and attr store1 > 117.005 ))
6 0.1 0.1 peak 563 volume 6.08575 ppm1 8.384 ppm2 8.644
 
! ############### N15_CNnoesy.564 NOT folded
assi (attr store1 < 8.732 and attr store1 > 8.632 ) 
     ((attr store1 < 7.341 and attr store1 > 7.281 ) and bondedto
      (attr store1 < 117.852  and attr store1 > 117.052 ))
6 0.1 0.1 peak 564 volume 7.13193 ppm1 7.311 ppm2 8.682
 
! ############### N15_CNnoesy.565 NOT folded
assi (attr store1 < 7.1 and attr store1 > 7.0 ) 
     ((attr store1 < 7.342 and attr store1 > 7.282 ) and bondedto
      (attr store1 < 117.848  and attr store1 > 117.048 ))
6 0.1 0.1 peak 565 volume 11.46889 ppm1 7.312 ppm2 7.050
 
! ############### N15_CNnoesy.566 NOT folded
assi (attr store1 < 0.689 and attr store1 > 0.589 ) 
     ((attr store1 < 7.345 and attr store1 > 7.285 ) and bondedto
      (attr store1 < 117.87  and attr store1 > 117.07 ))
6 0.1 0.1 peak 566 volume 14.26797 ppm1 7.315 ppm2 0.639
 
! ############### N15_CNnoesy.567 NOT folded
assi (attr store1 < 6.797 and attr store1 > 6.697 ) 
     ((attr store1 < 7.035 and attr store1 > 6.975 ) and bondedto
      (attr store1 < 117.769  and attr store1 > 116.969 ))
6 0.1 0.1 peak 567 volume 10.25489 ppm1 7.005 ppm2 6.747
 
! ############### N15_CNnoesy.568 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 8.611 and attr store1 > 8.551 ) and bondedto
      (attr store1 < 117.696  and attr store1 > 116.896 ))
6 0.1 0.1 peak 568 volume 6.51536 ppm1 8.581 ppm2 4.840
 
! ############### N15_CNnoesy.569 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 8.474 and attr store1 > 8.414 ) and bondedto
      (attr store1 < 117.655  and attr store1 > 116.855 ))
6 0.1 0.1 peak 569 volume 75.33388 ppm1 8.444 ppm2 4.840
 
! ############### N15_CNnoesy.570 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 8.34 and attr store1 > 8.28 ) and bondedto
      (attr store1 < 117.668  and attr store1 > 116.868 ))
6 0.1 0.1 peak 570 volume 137.18140 ppm1 8.310 ppm2 4.840
 
! ############### N15_CNnoesy.571 NOT folded
assi (attr store1 < 4.523 and attr store1 > 4.423 ) 
     ((attr store1 < 8.335 and attr store1 > 8.275 ) and bondedto
      (attr store1 < 117.643  and attr store1 > 116.843 ))
6 0.1 0.1 peak 571 volume 6.15987 ppm1 8.305 ppm2 4.473
 
! ############### N15_CNnoesy.572 NOT folded
assi (attr store1 < 8.315 and attr store1 > 8.215 ) 
     ((attr store1 < 8.037 and attr store1 > 7.977 ) and bondedto
      (attr store1 < 117.663  and attr store1 > 116.863 ))
6 0.1 0.1 peak 572 volume 9.22009 ppm1 8.007 ppm2 8.265
 
! ############### N15_CNnoesy.573 NOT folded
assi (attr store1 < 8.217 and attr store1 > 8.117 ) 
     ((attr store1 < 8.037 and attr store1 > 7.977 ) and bondedto
      (attr store1 < 117.656  and attr store1 > 116.856 ))
6 0.1 0.1 peak 573 volume 13.66916 ppm1 8.007 ppm2 8.167
 
! ############### N15_CNnoesy.574 NOT folded
assi (attr store1 < 7.897 and attr store1 > 7.797 ) 
     ((attr store1 < 8.038 and attr store1 > 7.978 ) and bondedto
      (attr store1 < 117.689  and attr store1 > 116.889 ))
6 0.1 0.1 peak 574 volume 12.91497 ppm1 8.008 ppm2 7.847
 
! ############### N15_CNnoesy.575 NOT folded
assi (attr store1 < 7.798 and attr store1 > 7.698 ) 
     ((attr store1 < 8.039 and attr store1 > 7.979 ) and bondedto
      (attr store1 < 117.644  and attr store1 > 116.844 ))
6 0.1 0.1 peak 575 volume 14.50284 ppm1 8.009 ppm2 7.748
 
! ############### N15_CNnoesy.576 NOT folded
assi (attr store1 < 1.596 and attr store1 > 1.496 ) 
     ((attr store1 < 8.038 and attr store1 > 7.978 ) and bondedto
      (attr store1 < 117.681  and attr store1 > 116.881 ))
6 0.1 0.1 peak 576 volume 11.31709 ppm1 8.008 ppm2 1.546
 
! ############### N15_CNnoesy.577 NOT folded
assi (attr store1 < 1.083 and attr store1 > 0.983 ) 
     ((attr store1 < 8.039 and attr store1 > 7.979 ) and bondedto
      (attr store1 < 117.643  and attr store1 > 116.843 ))
6 0.1 0.1 peak 577 volume 16.83991 ppm1 8.009 ppm2 1.033
 
! ############### N15_CNnoesy.578 NOT folded
assi (attr store1 < 8.738 and attr store1 > 8.638 ) 
     ((attr store1 < 7.035 and attr store1 > 6.975 ) and bondedto
      (attr store1 < 117.738  and attr store1 > 116.938 ))
6 0.1 0.1 peak 578 volume 36.04255 ppm1 7.005 ppm2 8.688
 
! ############### N15_CNnoesy.579 NOT folded
assi (attr store1 < 8.238 and attr store1 > 8.138 ) 
     ((attr store1 < 7.035 and attr store1 > 6.975 ) and bondedto
      (attr store1 < 117.74  and attr store1 > 116.94 ))
6 0.1 0.1 peak 579 volume 47.21431 ppm1 7.005 ppm2 8.188
 
! ############### N15_CNnoesy.580 NOT folded
assi (attr store1 < 7.318 and attr store1 > 7.218 ) 
     ((attr store1 < 7.034 and attr store1 > 6.974 ) and bondedto
      (attr store1 < 117.734  and attr store1 > 116.934 ))
6 0.1 0.1 peak 580 volume 12.08858 ppm1 7.004 ppm2 7.268
 
! ############### N15_CNnoesy.581 NOT folded
assi (attr store1 < 7.054 and attr store1 > 6.954 ) 
     ((attr store1 < 7.034 and attr store1 > 6.974 ) and bondedto
      (attr store1 < 117.732  and attr store1 > 116.932 ))
6 0.1 0.1 peak 581 volume 408.59451 ppm1 7.004 ppm2 7.004
 
! ############### N15_CNnoesy.582 NOT folded
assi (attr store1 < 4.353 and attr store1 > 4.253 ) 
     ((attr store1 < 7.035 and attr store1 > 6.975 ) and bondedto
      (attr store1 < 117.73  and attr store1 > 116.93 ))
6 0.1 0.1 peak 582 volume 38.00580 ppm1 7.005 ppm2 4.303
 
! ############### N15_CNnoesy.583 NOT folded
assi (attr store1 < 4.147 and attr store1 > 4.047 ) 
     ((attr store1 < 7.034 and attr store1 > 6.974 ) and bondedto
      (attr store1 < 117.746  and attr store1 > 116.946 ))
6 0.1 0.1 peak 583 volume 7.60003 ppm1 7.004 ppm2 4.097
 
! ############### N15_CNnoesy.584 NOT folded
assi (attr store1 < 2.51 and attr store1 > 2.41 ) 
     ((attr store1 < 7.035 and attr store1 > 6.975 ) and bondedto
      (attr store1 < 117.727  and attr store1 > 116.927 ))
6 0.1 0.1 peak 584 volume 13.48829 ppm1 7.005 ppm2 2.460
 
! ############### N15_CNnoesy.585 NOT folded
assi (attr store1 < 2.145 and attr store1 > 2.045 ) 
     ((attr store1 < 7.034 and attr store1 > 6.974 ) and bondedto
      (attr store1 < 117.731  and attr store1 > 116.931 ))
6 0.1 0.1 peak 585 volume 70.61685 ppm1 7.004 ppm2 2.095
 
! ############### N15_CNnoesy.586 NOT folded
assi (attr store1 < 1.718 and attr store1 > 1.618 ) 
     ((attr store1 < 7.034 and attr store1 > 6.974 ) and bondedto
      (attr store1 < 117.724  and attr store1 > 116.924 ))
6 0.1 0.1 peak 586 volume 35.93430 ppm1 7.004 ppm2 1.668
 
! ############### N15_CNnoesy.587 NOT folded
assi (attr store1 < 1.088 and attr store1 > 0.988 ) 
     ((attr store1 < 7.034 and attr store1 > 6.974 ) and bondedto
      (attr store1 < 117.725  and attr store1 > 116.925 ))
6 0.1 0.1 peak 587 volume 10.59482 ppm1 7.004 ppm2 1.038
 
! ############### N15_CNnoesy.588 NOT folded
assi (attr store1 < 0.932 and attr store1 > 0.832 ) 
     ((attr store1 < 7.034 and attr store1 > 6.974 ) and bondedto
      (attr store1 < 117.737  and attr store1 > 116.937 ))
6 0.1 0.1 peak 588 volume 12.11672 ppm1 7.004 ppm2 0.882
 
! ############### N15_CNnoesy.589 NOT folded
assi (attr store1 < 4.873 and attr store1 > 4.773 ) 
     ((attr store1 < 8.164 and attr store1 > 8.104 ) and bondedto
      (attr store1 < 117.544  and attr store1 > 116.744 ))
6 0.1 0.1 peak 589 volume 12.60458 ppm1 8.134 ppm2 4.823
 
! ############### N15_CNnoesy.590 NOT folded
assi (attr store1 < 4.887 and attr store1 > 4.787 ) 
     ((attr store1 < 8.144 and attr store1 > 8.084 ) and bondedto
      (attr store1 < 117.577  and attr store1 > 116.777 ))
6 0.1 0.1 peak 590 volume 10.86839 ppm1 8.114 ppm2 4.837
 
! ############### N15_CNnoesy.591 NOT folded
assi (attr store1 < 8.147 and attr store1 > 8.047 ) 
     ((attr store1 < 8.129 and attr store1 > 8.069 ) and bondedto
      (attr store1 < 117.604  and attr store1 > 116.804 ))
6 0.1 0.1 peak 591 volume 15.70635 ppm1 8.099 ppm2 8.097
 
! ############### N15_CNnoesy.592 NOT folded
assi (attr store1 < 8.062 and attr store1 > 7.962 ) 
     ((attr store1 < 8.04 and attr store1 > 7.98 ) and bondedto
      (attr store1 < 117.617  and attr store1 > 116.817 ))
6 0.1 0.1 peak 592 volume 396.59369 ppm1 8.010 ppm2 8.012
 
! ############### N15_CNnoesy.593 NOT folded
assi (attr store1 < 4.88 and attr store1 > 4.78 ) 
     ((attr store1 < 8.05 and attr store1 > 7.99 ) and bondedto
      (attr store1 < 117.611  and attr store1 > 116.811 ))
6 0.1 0.1 peak 593 volume 13.76996 ppm1 8.020 ppm2 4.830
 
! ############### N15_CNnoesy.594 NOT folded
assi (attr store1 < 3.522 and attr store1 > 3.422 ) 
     ((attr store1 < 8.043 and attr store1 > 7.983 ) and bondedto
      (attr store1 < 117.58  and attr store1 > 116.78 ))
6 0.1 0.1 peak 594 volume 7.41423 ppm1 8.013 ppm2 3.472
 
! ############### N15_CNnoesy.595 NOT folded
assi (attr store1 < 2.98 and attr store1 > 2.88 ) 
     ((attr store1 < 8.04 and attr store1 > 7.98 ) and bondedto
      (attr store1 < 117.631  and attr store1 > 116.831 ))
6 0.1 0.1 peak 595 volume 82.21756 ppm1 8.010 ppm2 2.930
 
! ############### N15_CNnoesy.596 NOT folded
assi (attr store1 < 2.13 and attr store1 > 2.03 ) 
     ((attr store1 < 8.04 and attr store1 > 7.98 ) and bondedto
      (attr store1 < 117.636  and attr store1 > 116.836 ))
6 0.1 0.1 peak 596 volume 38.99096 ppm1 8.010 ppm2 2.080
 
! ############### N15_CNnoesy.597 NOT folded
assi (attr store1 < 0.954 and attr store1 > 0.854 ) 
     ((attr store1 < 8.043 and attr store1 > 7.983 ) and bondedto
      (attr store1 < 117.61  and attr store1 > 116.81 ))
6 0.1 0.1 peak 597 volume 10.54469 ppm1 8.013 ppm2 0.904
 
! ############### N15_CNnoesy.598 NOT folded
assi (attr store1 < 8.737 and attr store1 > 8.637 ) 
     ((attr store1 < 8.039 and attr store1 > 7.979 ) and bondedto
      (attr store1 < 117.638  and attr store1 > 116.838 ))
6 0.1 0.1 peak 598 volume 32.20766 ppm1 8.009 ppm2 8.687
 
! ############### N15_CNnoesy.599 NOT folded
assi (attr store1 < 4.515 and attr store1 > 4.415 ) 
     ((attr store1 < 8.039 and attr store1 > 7.979 ) and bondedto
      (attr store1 < 117.638  and attr store1 > 116.838 ))
6 0.1 0.1 peak 599 volume 31.61831 ppm1 8.009 ppm2 4.465
 
! ############### N15_CNnoesy.600 NOT folded
assi (attr store1 < 4.232 and attr store1 > 4.132 ) 
     ((attr store1 < 8.04 and attr store1 > 7.98 ) and bondedto
      (attr store1 < 117.596  and attr store1 > 116.796 ))
6 0.1 0.1 peak 600 volume 16.42451 ppm1 8.010 ppm2 4.182
 
! ############### N15_CNnoesy.601 NOT folded
assi (attr store1 < 8.06 and attr store1 > 7.96 ) 
     ((attr store1 < 7.773 and attr store1 > 7.713 ) and bondedto
      (attr store1 < 117.597  and attr store1 > 116.797 ))
6 0.1 0.1 peak 601 volume 5.94643 ppm1 7.743 ppm2 8.010
 
! ############### N15_CNnoesy.602 NOT folded
assi (attr store1 < 7.732 and attr store1 > 7.632 ) 
     ((attr store1 < 6.79 and attr store1 > 6.73 ) and bondedto
      (attr store1 < 117.435  and attr store1 > 116.635 ))
6 0.1 0.1 peak 602 volume 30.85183 ppm1 6.760 ppm2 7.682
 
! ############### N15_CNnoesy.603 NOT folded
assi (attr store1 < 6.811 and attr store1 > 6.711 ) 
     ((attr store1 < 6.79 and attr store1 > 6.73 ) and bondedto
      (attr store1 < 117.434  and attr store1 > 116.634 ))
6 0.1 0.1 peak 603 volume 367.84964 ppm1 6.760 ppm2 6.761
 
! ############### N15_CNnoesy.604 NOT folded
assi (attr store1 < 6.641 and attr store1 > 6.541 ) 
     ((attr store1 < 6.79 and attr store1 > 6.73 ) and bondedto
      (attr store1 < 117.43  and attr store1 > 116.63 ))
6 0.1 0.1 peak 604 volume 13.24463 ppm1 6.760 ppm2 6.591
 
! ############### N15_CNnoesy.605 NOT folded
assi (attr store1 < 4.892 and attr store1 > 4.792 ) 
     ((attr store1 < 6.791 and attr store1 > 6.731 ) and bondedto
      (attr store1 < 117.438  and attr store1 > 116.638 ))
6 0.1 0.1 peak 605 volume 28.83958 ppm1 6.761 ppm2 4.842
 
! ############### N15_CNnoesy.606 NOT folded
assi (attr store1 < 4.584 and attr store1 > 4.484 ) 
     ((attr store1 < 6.791 and attr store1 > 6.731 ) and bondedto
      (attr store1 < 117.416  and attr store1 > 116.616 ))
6 0.1 0.1 peak 606 volume 11.05295 ppm1 6.761 ppm2 4.534
 
! ############### N15_CNnoesy.607 NOT folded
assi (attr store1 < 3.061 and attr store1 > 2.961 ) 
     ((attr store1 < 6.791 and attr store1 > 6.731 ) and bondedto
      (attr store1 < 117.439  and attr store1 > 116.639 ))
6 0.1 0.1 peak 607 volume 15.88062 ppm1 6.761 ppm2 3.011
 
! ############### N15_CNnoesy.608 NOT folded
assi (attr store1 < 0.879 and attr store1 > 0.779 ) 
     ((attr store1 < 6.791 and attr store1 > 6.731 ) and bondedto
      (attr store1 < 117.43  and attr store1 > 116.63 ))
6 0.1 0.1 peak 608 volume 17.79524 ppm1 6.761 ppm2 0.829
 
! ############### N15_CNnoesy.609 NOT folded
assi (attr store1 < 0.355 and attr store1 > 0.255 ) 
     ((attr store1 < 6.79 and attr store1 > 6.73 ) and bondedto
      (attr store1 < 117.435  and attr store1 > 116.635 ))
6 0.1 0.1 peak 609 volume 25.40216 ppm1 6.760 ppm2 0.305
 
! ############### N15_CNnoesy.610 NOT folded
assi (attr store1 < 7.344 and attr store1 > 7.244 ) 
     ((attr store1 < 6.788 and attr store1 > 6.728 ) and bondedto
      (attr store1 < 117.434  and attr store1 > 116.634 ))
6 0.1 0.1 peak 610 volume 11.00468 ppm1 6.758 ppm2 7.294
 
! ############### N15_CNnoesy.611 NOT folded
assi (attr store1 < 7.065 and attr store1 > 6.965 ) 
     ((attr store1 < 6.786 and attr store1 > 6.726 ) and bondedto
      (attr store1 < 117.504  and attr store1 > 116.704 ))
6 0.1 0.1 peak 611 volume 11.00164 ppm1 6.756 ppm2 7.015
 
! ############### N15_CNnoesy.612 NOT folded
assi (attr store1 < 4.239 and attr store1 > 4.139 ) 
     ((attr store1 < 6.789 and attr store1 > 6.729 ) and bondedto
      (attr store1 < 117.437  and attr store1 > 116.637 ))
6 0.1 0.1 peak 612 volume 22.44818 ppm1 6.759 ppm2 4.189
 
! ############### N15_CNnoesy.613 NOT folded
assi (attr store1 < 3.679 and attr store1 > 3.579 ) 
     ((attr store1 < 6.788 and attr store1 > 6.728 ) and bondedto
      (attr store1 < 117.443  and attr store1 > 116.643 ))
6 0.1 0.1 peak 613 volume 10.18513 ppm1 6.758 ppm2 3.629
 
! ############### N15_CNnoesy.614 NOT folded
assi (attr store1 < 6.806 and attr store1 > 6.706 ) 
     ((attr store1 < 6.519 and attr store1 > 6.459 ) and bondedto
      (attr store1 < 117.447  and attr store1 > 116.647 ))
6 0.1 0.1 peak 614 volume 5.96984 ppm1 6.489 ppm2 6.756
 
! ############### N15_CNnoesy.615 NOT folded
assi (attr store1 < 3.429 and attr store1 > 3.329 ) 
     ((attr store1 < 8.262 and attr store1 > 8.202 ) and bondedto
      (attr store1 < 117.368  and attr store1 > 116.568 ))
6 0.1 0.1 peak 615 volume 7.50899 ppm1 8.232 ppm2 3.379
 
! ############### N15_CNnoesy.616 NOT folded
assi (attr store1 < 8.276 and attr store1 > 8.176 ) 
     ((attr store1 < 8.256 and attr store1 > 8.196 ) and bondedto
      (attr store1 < 117.32  and attr store1 > 116.52 ))
6 0.1 0.1 peak 616 volume 32.53970 ppm1 8.226 ppm2 8.226
 
! ############### N15_CNnoesy.617 NOT folded
assi (attr store1 < 7.738 and attr store1 > 7.638 ) 
     ((attr store1 < 8.26 and attr store1 > 8.2 ) and bondedto
      (attr store1 < 117.302  and attr store1 > 116.502 ))
6 0.1 0.1 peak 617 volume 10.10274 ppm1 8.230 ppm2 7.688
 
! ############### N15_CNnoesy.618 NOT folded
assi (attr store1 < 7.088 and attr store1 > 6.988 ) 
     ((attr store1 < 8.254 and attr store1 > 8.194 ) and bondedto
      (attr store1 < 117.357  and attr store1 > 116.557 ))
6 0.1 0.1 peak 618 volume 6.57411 ppm1 8.224 ppm2 7.038
 
! ############### N15_CNnoesy.619 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 8.257 and attr store1 > 8.197 ) and bondedto
      (attr store1 < 117.317  and attr store1 > 116.517 ))
6 0.1 0.1 peak 619 volume 156.85298 ppm1 8.227 ppm2 4.839
 
! ############### N15_CNnoesy.620 NOT folded
assi (attr store1 < 4.53 and attr store1 > 4.43 ) 
     ((attr store1 < 8.255 and attr store1 > 8.195 ) and bondedto
      (attr store1 < 117.328  and attr store1 > 116.528 ))
6 0.1 0.1 peak 620 volume 7.62006 ppm1 8.225 ppm2 4.480
 
! ############### N15_CNnoesy.621 NOT folded
assi (attr store1 < 2.89 and attr store1 > 2.79 ) 
     ((attr store1 < 8.255 and attr store1 > 8.195 ) and bondedto
      (attr store1 < 117.311  and attr store1 > 116.511 ))
6 0.1 0.1 peak 621 volume 13.78544 ppm1 8.225 ppm2 2.840
 
! ############### N15_CNnoesy.622 NOT folded
assi (attr store1 < 1.418 and attr store1 > 1.318 ) 
     ((attr store1 < 8.256 and attr store1 > 8.196 ) and bondedto
      (attr store1 < 117.316  and attr store1 > 116.516 ))
6 0.1 0.1 peak 622 volume 15.98838 ppm1 8.226 ppm2 1.368
 
! ############### N15_CNnoesy.623 NOT folded
assi (attr store1 < 1.768 and attr store1 > 1.668 ) 
     ((attr store1 < 6.791 and attr store1 > 6.731 ) and bondedto
      (attr store1 < 117.406  and attr store1 > 116.606 ))
6 0.1 0.1 peak 623 volume 10.80486 ppm1 6.761 ppm2 1.718
 
! ############### N15_CNnoesy.624 NOT folded
assi (attr store1 < 1.382 and attr store1 > 1.282 ) 
     ((attr store1 < 6.791 and attr store1 > 6.731 ) and bondedto
      (attr store1 < 117.396  and attr store1 > 116.596 ))
6 0.1 0.1 peak 624 volume 10.64857 ppm1 6.761 ppm2 1.332
 
! ############### N15_CNnoesy.625 NOT folded
assi (attr store1 < 7.467 and attr store1 > 7.367 ) 
     ((attr store1 < 6.788 and attr store1 > 6.728 ) and bondedto
      (attr store1 < 117.389  and attr store1 > 116.589 ))
6 0.1 0.1 peak 625 volume 10.69632 ppm1 6.758 ppm2 7.417
 
! ############### N15_CNnoesy.626 NOT folded
assi (attr store1 < 6.97 and attr store1 > 6.87 ) 
     ((attr store1 < 6.787 and attr store1 > 6.727 ) and bondedto
      (attr store1 < 117.387  and attr store1 > 116.587 ))
6 0.1 0.1 peak 626 volume 11.80705 ppm1 6.757 ppm2 6.920
 
! ############### N15_CNnoesy.627 NOT folded
assi (attr store1 < 4.217 and attr store1 > 4.117 ) 
     ((attr store1 < 8.26 and attr store1 > 8.2 ) and bondedto
      (attr store1 < 117.279  and attr store1 > 116.479 ))
6 0.1 0.1 peak 627 volume 8.82814 ppm1 8.230 ppm2 4.167
 
! ############### N15_CNnoesy.628 NOT folded
assi (attr store1 < 8.583 and attr store1 > 8.483 ) 
     ((attr store1 < 7.839 and attr store1 > 7.779 ) and bondedto
      (attr store1 < 117.247  and attr store1 > 116.447 ))
6 0.1 0.1 peak 628 volume 23.00121 ppm1 7.809 ppm2 8.533
 
! ############### N15_CNnoesy.629 NOT folded
assi (attr store1 < 8.106 and attr store1 > 8.006 ) 
     ((attr store1 < 7.84 and attr store1 > 7.78 ) and bondedto
      (attr store1 < 117.259  and attr store1 > 116.459 ))
6 0.1 0.1 peak 629 volume 8.98787 ppm1 7.810 ppm2 8.056
 
! ############### N15_CNnoesy.630 NOT folded
assi (attr store1 < 7.857 and attr store1 > 7.757 ) 
     ((attr store1 < 7.838 and attr store1 > 7.778 ) and bondedto
      (attr store1 < 117.263  and attr store1 > 116.463 ))
6 0.1 0.1 peak 630 volume 366.52744 ppm1 7.808 ppm2 7.807
 
! ############### N15_CNnoesy.631 NOT folded
assi (attr store1 < 4.182 and attr store1 > 4.082 ) 
     ((attr store1 < 7.838 and attr store1 > 7.778 ) and bondedto
      (attr store1 < 117.255  and attr store1 > 116.455 ))
6 0.1 0.1 peak 631 volume 32.29827 ppm1 7.808 ppm2 4.132
 
! ############### N15_CNnoesy.632 NOT folded
assi (attr store1 < 3.798 and attr store1 > 3.698 ) 
     ((attr store1 < 7.837 and attr store1 > 7.777 ) and bondedto
      (attr store1 < 117.251  and attr store1 > 116.451 ))
6 0.1 0.1 peak 632 volume 11.88773 ppm1 7.807 ppm2 3.748
 
! ############### N15_CNnoesy.633 NOT folded
assi (attr store1 < 2.028 and attr store1 > 1.928 ) 
     ((attr store1 < 7.838 and attr store1 > 7.778 ) and bondedto
      (attr store1 < 117.261  and attr store1 > 116.461 ))
6 0.1 0.1 peak 633 volume 77.86458 ppm1 7.808 ppm2 1.978
 
! ############### N15_CNnoesy.634 NOT folded
assi (attr store1 < 1.62 and attr store1 > 1.52 ) 
     ((attr store1 < 7.838 and attr store1 > 7.778 ) and bondedto
      (attr store1 < 117.267  and attr store1 > 116.467 ))
6 0.1 0.1 peak 634 volume 42.87058 ppm1 7.808 ppm2 1.570
 
! ############### N15_CNnoesy.635 NOT folded
assi (attr store1 < 1.419 and attr store1 > 1.319 ) 
     ((attr store1 < 7.835 and attr store1 > 7.775 ) and bondedto
      (attr store1 < 117.226  and attr store1 > 116.426 ))
6 0.1 0.1 peak 635 volume 6.27595 ppm1 7.805 ppm2 1.369
 
! ############### N15_CNnoesy.636 NOT folded
assi (attr store1 < 4.887 and attr store1 > 4.787 ) 
     ((attr store1 < 8.61 and attr store1 > 8.55 ) and bondedto
      (attr store1 < 116.707  and attr store1 > 115.907 ))
6 0.1 0.1 peak 636 volume 10.05072 ppm1 8.580 ppm2 4.837
 
! ############### N15_CNnoesy.637 NOT folded
assi (attr store1 < 8.873 and attr store1 > 8.773 ) 
     ((attr store1 < 8.695 and attr store1 > 8.635 ) and bondedto
      (attr store1 < 116.536  and attr store1 > 115.736 ))
6 0.1 0.1 peak 637 volume 6.40173 ppm1 8.665 ppm2 8.823
 
! ############### N15_CNnoesy.638 NOT folded
assi (attr store1 < 8.711 and attr store1 > 8.611 ) 
     ((attr store1 < 8.692 and attr store1 > 8.632 ) and bondedto
      (attr store1 < 116.489  and attr store1 > 115.689 ))
6 0.1 0.1 peak 638 volume 143.60075 ppm1 8.662 ppm2 8.661
 
! ############### N15_CNnoesy.639 NOT folded
assi (attr store1 < 7.682 and attr store1 > 7.582 ) 
     ((attr store1 < 8.694 and attr store1 > 8.634 ) and bondedto
      (attr store1 < 116.528  and attr store1 > 115.728 ))
6 0.1 0.1 peak 639 volume 19.79978 ppm1 8.664 ppm2 7.632
 
! ############### N15_CNnoesy.640 NOT folded
assi (attr store1 < 5.516 and attr store1 > 5.416 ) 
     ((attr store1 < 8.694 and attr store1 > 8.634 ) and bondedto
      (attr store1 < 116.487  and attr store1 > 115.687 ))
6 0.1 0.1 peak 640 volume 14.69938 ppm1 8.664 ppm2 5.466
 
! ############### N15_CNnoesy.641 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 8.692 and attr store1 > 8.632 ) and bondedto
      (attr store1 < 116.509  and attr store1 > 115.709 ))
6 0.1 0.1 peak 641 volume 65.20000 ppm1 8.662 ppm2 4.839
 
! ############### N15_CNnoesy.642 NOT folded
assi (attr store1 < 3.048 and attr store1 > 2.948 ) 
     ((attr store1 < 8.692 and attr store1 > 8.632 ) and bondedto
      (attr store1 < 116.483  and attr store1 > 115.683 ))
6 0.1 0.1 peak 642 volume 15.13036 ppm1 8.662 ppm2 2.998
 
! ############### N15_CNnoesy.643 NOT folded
assi (attr store1 < 5.152 and attr store1 > 5.052 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 116.515  and attr store1 > 115.715 ))
6 0.1 0.1 peak 643 volume 7.41355 ppm1 8.659 ppm2 5.102
 
! ############### N15_CNnoesy.644 NOT folded
assi (attr store1 < 8.172 and attr store1 > 8.072 ) 
     ((attr store1 < 8.268 and attr store1 > 8.208 ) and bondedto
      (attr store1 < 116.508  and attr store1 > 115.708 ))
6 0.1 0.1 peak 644 volume 6.99720 ppm1 8.238 ppm2 8.122
 
! ############### N15_CNnoesy.645 NOT folded
assi (attr store1 < 8.712 and attr store1 > 8.612 ) 
     ((attr store1 < 8.139 and attr store1 > 8.079 ) and bondedto
      (attr store1 < 116.51  and attr store1 > 115.71 ))
6 0.1 0.1 peak 645 volume 37.69243 ppm1 8.109 ppm2 8.662
 
! ############### N15_CNnoesy.646 NOT folded
assi (attr store1 < 8.427 and attr store1 > 8.327 ) 
     ((attr store1 < 8.139 and attr store1 > 8.079 ) and bondedto
      (attr store1 < 116.562  and attr store1 > 115.762 ))
6 0.1 0.1 peak 646 volume 11.31641 ppm1 8.109 ppm2 8.377
 
! ############### N15_CNnoesy.647 NOT folded
assi (attr store1 < 8.327 and attr store1 > 8.227 ) 
     ((attr store1 < 8.139 and attr store1 > 8.079 ) and bondedto
      (attr store1 < 116.499  and attr store1 > 115.699 ))
6 0.1 0.1 peak 647 volume 21.15633 ppm1 8.109 ppm2 8.277
 
! ############### N15_CNnoesy.648 NOT folded
assi (attr store1 < 8.159 and attr store1 > 8.059 ) 
     ((attr store1 < 8.139 and attr store1 > 8.079 ) and bondedto
      (attr store1 < 116.506  and attr store1 > 115.706 ))
6 0.1 0.1 peak 648 volume 520.58179 ppm1 8.109 ppm2 8.109
 
! ############### N15_CNnoesy.649 NOT folded
assi (attr store1 < 7.993 and attr store1 > 7.893 ) 
     ((attr store1 < 8.139 and attr store1 > 8.079 ) and bondedto
      (attr store1 < 116.505  and attr store1 > 115.705 ))
6 0.1 0.1 peak 649 volume 23.67296 ppm1 8.109 ppm2 7.943
 
! ############### N15_CNnoesy.650 NOT folded
assi (attr store1 < 7.72 and attr store1 > 7.62 ) 
     ((attr store1 < 8.139 and attr store1 > 8.079 ) and bondedto
      (attr store1 < 116.504  and attr store1 > 115.704 ))
6 0.1 0.1 peak 650 volume 32.92843 ppm1 8.109 ppm2 7.670
 
! ############### N15_CNnoesy.651 NOT folded
assi (attr store1 < 7.022 and attr store1 > 6.922 ) 
     ((attr store1 < 8.139 and attr store1 > 8.079 ) and bondedto
      (attr store1 < 116.531  and attr store1 > 115.731 ))
6 0.1 0.1 peak 651 volume 6.40504 ppm1 8.109 ppm2 6.972
 
! ############### N15_CNnoesy.652 NOT folded
assi (attr store1 < 6.911 and attr store1 > 6.811 ) 
     ((attr store1 < 8.14 and attr store1 > 8.08 ) and bondedto
      (attr store1 < 116.512  and attr store1 > 115.712 ))
6 0.1 0.1 peak 652 volume 14.86378 ppm1 8.110 ppm2 6.861
 
! ############### N15_CNnoesy.653 NOT folded
assi (attr store1 < 4.354 and attr store1 > 4.254 ) 
     ((attr store1 < 8.14 and attr store1 > 8.08 ) and bondedto
      (attr store1 < 116.497  and attr store1 > 115.697 ))
6 0.1 0.1 peak 653 volume 17.25426 ppm1 8.110 ppm2 4.304
 
! ############### N15_CNnoesy.654 NOT folded
assi (attr store1 < 4.15 and attr store1 > 4.05 ) 
     ((attr store1 < 8.14 and attr store1 > 8.08 ) and bondedto
      (attr store1 < 116.518  and attr store1 > 115.718 ))
6 0.1 0.1 peak 654 volume 41.95885 ppm1 8.110 ppm2 4.100
 
! ############### N15_CNnoesy.655 NOT folded
assi (attr store1 < 3.888 and attr store1 > 3.788 ) 
     ((attr store1 < 8.139 and attr store1 > 8.079 ) and bondedto
      (attr store1 < 116.517  and attr store1 > 115.717 ))
6 0.1 0.1 peak 655 volume 11.11343 ppm1 8.109 ppm2 3.838
 
! ############### N15_CNnoesy.656 NOT folded
assi (attr store1 < 2.835 and attr store1 > 2.735 ) 
     ((attr store1 < 8.139 and attr store1 > 8.079 ) and bondedto
      (attr store1 < 116.51  and attr store1 > 115.71 ))
6 0.1 0.1 peak 656 volume 48.99215 ppm1 8.109 ppm2 2.785
 
! ############### N15_CNnoesy.657 NOT folded
assi (attr store1 < 2.504 and attr store1 > 2.404 ) 
     ((attr store1 < 8.139 and attr store1 > 8.079 ) and bondedto
      (attr store1 < 116.508  and attr store1 > 115.708 ))
6 0.1 0.1 peak 657 volume 58.54686 ppm1 8.109 ppm2 2.454
 
! ############### N15_CNnoesy.658 NOT folded
assi (attr store1 < 2.244 and attr store1 > 2.144 ) 
     ((attr store1 < 8.14 and attr store1 > 8.08 ) and bondedto
      (attr store1 < 116.513  and attr store1 > 115.713 ))
6 0.1 0.1 peak 658 volume 41.89569 ppm1 8.110 ppm2 2.194
 
! ############### N15_CNnoesy.659 NOT folded
assi (attr store1 < 1.979 and attr store1 > 1.879 ) 
     ((attr store1 < 8.139 and attr store1 > 8.079 ) and bondedto
      (attr store1 < 116.512  and attr store1 > 115.712 ))
6 0.1 0.1 peak 659 volume 6.48384 ppm1 8.109 ppm2 1.929
 
! ############### N15_CNnoesy.660 NOT folded
assi (attr store1 < 1.416 and attr store1 > 1.316 ) 
     ((attr store1 < 8.139 and attr store1 > 8.079 ) and bondedto
      (attr store1 < 116.502  and attr store1 > 115.702 ))
6 0.1 0.1 peak 660 volume 46.70468 ppm1 8.109 ppm2 1.366
 
! ############### N15_CNnoesy.661 NOT folded
assi (attr store1 < 0.822 and attr store1 > 0.722 ) 
     ((attr store1 < 8.14 and attr store1 > 8.08 ) and bondedto
      (attr store1 < 116.524  and attr store1 > 115.724 ))
6 0.1 0.1 peak 661 volume 7.47967 ppm1 8.110 ppm2 0.772
 
! ############### N15_CNnoesy.662 NOT folded
assi (attr store1 < 8.096 and attr store1 > 7.996 ) 
     ((attr store1 < 8.058 and attr store1 > 7.998 ) and bondedto
      (attr store1 < 116.539  and attr store1 > 115.739 ))
6 0.1 0.1 peak 662 volume 12.86977 ppm1 8.028 ppm2 8.046
 
! ############### N15_CNnoesy.663 NOT folded
assi (attr store1 < 8.168 and attr store1 > 8.068 ) 
     ((attr store1 < 7.699 and attr store1 > 7.639 ) and bondedto
      (attr store1 < 116.512  and attr store1 > 115.712 ))
6 0.1 0.1 peak 663 volume 6.22221 ppm1 7.669 ppm2 8.118
 
! ############### N15_CNnoesy.664 NOT folded
assi (attr store1 < 7.829 and attr store1 > 7.729 ) 
     ((attr store1 < 8.693 and attr store1 > 8.633 ) and bondedto
      (attr store1 < 116.476  and attr store1 > 115.676 ))
6 0.1 0.1 peak 664 volume 8.07665 ppm1 8.663 ppm2 7.779
 
! ############### N15_CNnoesy.665 NOT folded
assi (attr store1 < 2.47 and attr store1 > 2.37 ) 
     ((attr store1 < 8.693 and attr store1 > 8.633 ) and bondedto
      (attr store1 < 116.474  and attr store1 > 115.674 ))
6 0.1 0.1 peak 665 volume 19.71997 ppm1 8.663 ppm2 2.420
 
! ############### N15_CNnoesy.666 NOT folded
assi (attr store1 < 9.44 and attr store1 > 9.34 ) 
     ((attr store1 < 8.689 and attr store1 > 8.629 ) and bondedto
      (attr store1 < 116.462  and attr store1 > 115.662 ))
6 0.1 0.1 peak 666 volume 8.89211 ppm1 8.659 ppm2 9.390
 
! ############### N15_CNnoesy.667 NOT folded
assi (attr store1 < 4.568 and attr store1 > 4.468 ) 
     ((attr store1 < 8.69 and attr store1 > 8.63 ) and bondedto
      (attr store1 < 116.438  and attr store1 > 115.638 ))
6 0.1 0.1 peak 667 volume 9.06778 ppm1 8.660 ppm2 4.518
 
! ############### N15_CNnoesy.668 NOT folded
assi (attr store1 < 4.888 and attr store1 > 4.788 ) 
     ((attr store1 < 8.135 and attr store1 > 8.075 ) and bondedto
      (attr store1 < 116.433  and attr store1 > 115.633 ))
6 0.1 0.1 peak 668 volume 10.81901 ppm1 8.105 ppm2 4.838
 
! ############### N15_CNnoesy.669 NOT folded
assi (attr store1 < 8.149 and attr store1 > 8.049 ) 
     ((attr store1 < 7.871 and attr store1 > 7.811 ) and bondedto
      (attr store1 < 116.431  and attr store1 > 115.631 ))
6 0.1 0.1 peak 669 volume 6.94347 ppm1 7.841 ppm2 8.099
 
! ############### N15_CNnoesy.670 NOT folded
assi (attr store1 < 8.294 and attr store1 > 8.194 ) 
     ((attr store1 < 8.271 and attr store1 > 8.211 ) and bondedto
      (attr store1 < 116.032  and attr store1 > 115.232 ))
6 0.1 0.1 peak 670 volume 23.21678 ppm1 8.241 ppm2 8.244
 
! ############### N15_CNnoesy.671 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 8.275 and attr store1 > 8.215 ) and bondedto
      (attr store1 < 115.919  and attr store1 > 115.119 ))
6 0.1 0.1 peak 671 volume 153.17592 ppm1 8.245 ppm2 4.839
 
! ############### N15_CNnoesy.672 NOT folded
assi (attr store1 < 4.156 and attr store1 > 4.056 ) 
     ((attr store1 < 8.277 and attr store1 > 8.217 ) and bondedto
      (attr store1 < 115.919  and attr store1 > 115.119 ))
6 0.1 0.1 peak 672 volume 27.34758 ppm1 8.247 ppm2 4.106
 
! ############### N15_CNnoesy.673 NOT folded
assi (attr store1 < 4.874 and attr store1 > 4.774 ) 
     ((attr store1 < 8.165 and attr store1 > 8.105 ) and bondedto
      (attr store1 < 116.001  and attr store1 > 115.201 ))
6 0.1 0.1 peak 673 volume 8.80068 ppm1 8.135 ppm2 4.824
 
! ############### N15_CNnoesy.674 NOT folded
assi (attr store1 < 1.648 and attr store1 > 1.548 ) 
     ((attr store1 < 8.274 and attr store1 > 8.214 ) and bondedto
      (attr store1 < 115.857  and attr store1 > 115.057 ))
6 0.1 0.1 peak 674 volume 5.97143 ppm1 8.244 ppm2 1.598
 
! ############### N15_CNnoesy.675 NOT folded
assi (attr store1 < 7.844 and attr store1 > 7.744 ) 
     ((attr store1 < 7.836 and attr store1 > 7.776 ) and bondedto
      (attr store1 < 115.815  and attr store1 > 115.015 ))
6 0.1 0.1 peak 675 volume 6.64789 ppm1 7.806 ppm2 7.794
 
! ############### N15_CNnoesy.676 NOT folded
assi (attr store1 < 7.674 and attr store1 > 7.574 ) 
     ((attr store1 < 9.111 and attr store1 > 9.051 ) and bondedto
      (attr store1 < 115.139  and attr store1 > 114.339 ))
6 0.1 0.1 peak 676 volume 6.01185 ppm1 9.081 ppm2 7.624
 
! ############### N15_CNnoesy.677 NOT folded
assi (attr store1 < 4.603 and attr store1 > 4.503 ) 
     ((attr store1 < 9.11 and attr store1 > 9.05 ) and bondedto
      (attr store1 < 115.129  and attr store1 > 114.329 ))
6 0.1 0.1 peak 677 volume 10.93229 ppm1 9.080 ppm2 4.553
 
! ############### N15_CNnoesy.678 NOT folded
assi (attr store1 < 1.932 and attr store1 > 1.832 ) 
     ((attr store1 < 9.11 and attr store1 > 9.05 ) and bondedto
      (attr store1 < 115.141  and attr store1 > 114.341 ))
6 0.1 0.1 peak 678 volume 7.51252 ppm1 9.080 ppm2 1.882
 
! ############### N15_CNnoesy.679 NOT folded
assi (attr store1 < 1.75 and attr store1 > 1.65 ) 
     ((attr store1 < 9.11 and attr store1 > 9.05 ) and bondedto
      (attr store1 < 115.179  and attr store1 > 114.379 ))
6 0.1 0.1 peak 679 volume 6.15899 ppm1 9.080 ppm2 1.700
 
! ############### N15_CNnoesy.680 NOT folded
assi (attr store1 < 9.127 and attr store1 > 9.027 ) 
     ((attr store1 < 9.107 and attr store1 > 9.047 ) and bondedto
      (attr store1 < 115.181  and attr store1 > 114.381 ))
6 0.1 0.1 peak 680 volume 20.84429 ppm1 9.077 ppm2 9.077
 
! ############### N15_CNnoesy.681 NOT folded
assi (attr store1 < 7.365 and attr store1 > 7.265 ) 
     ((attr store1 < 9.108 and attr store1 > 9.048 ) and bondedto
      (attr store1 < 115.172  and attr store1 > 114.372 ))
6 0.1 0.1 peak 681 volume 8.30059 ppm1 9.078 ppm2 7.315
 
! ############### N15_CNnoesy.682 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 9.107 and attr store1 > 9.047 ) and bondedto
      (attr store1 < 115.175  and attr store1 > 114.375 ))
6 0.1 0.1 peak 682 volume 160.53571 ppm1 9.077 ppm2 4.840
 
! ############### N15_CNnoesy.683 NOT folded
assi (attr store1 < 3.247 and attr store1 > 3.147 ) 
     ((attr store1 < 9.107 and attr store1 > 9.047 ) and bondedto
      (attr store1 < 115.135  and attr store1 > 114.335 ))
6 0.1 0.1 peak 683 volume 14.24805 ppm1 9.077 ppm2 3.197
 
! ############### N15_CNnoesy.684 NOT folded
assi (attr store1 < 9.621 and attr store1 > 9.521 ) 
     ((attr store1 < 7.821 and attr store1 > 7.761 ) and bondedto
      (attr store1 < 114.796  and attr store1 > 113.996 ))
6 0.1 0.1 peak 684 volume 6.00659 ppm1 7.791 ppm2 9.571
 
! ############### N15_CNnoesy.685 NOT folded
assi (attr store1 < 7.841 and attr store1 > 7.741 ) 
     ((attr store1 < 7.822 and attr store1 > 7.762 ) and bondedto
      (attr store1 < 114.778  and attr store1 > 113.978 ))
6 0.1 0.1 peak 685 volume 105.62671 ppm1 7.792 ppm2 7.791
 
! ############### N15_CNnoesy.686 NOT folded
assi (attr store1 < 7.683 and attr store1 > 7.583 ) 
     ((attr store1 < 7.821 and attr store1 > 7.761 ) and bondedto
      (attr store1 < 114.779  and attr store1 > 113.979 ))
6 0.1 0.1 peak 686 volume 12.59297 ppm1 7.791 ppm2 7.633
 
! ############### N15_CNnoesy.687 NOT folded
assi (attr store1 < 7.501 and attr store1 > 7.401 ) 
     ((attr store1 < 7.821 and attr store1 > 7.761 ) and bondedto
      (attr store1 < 114.807  and attr store1 > 114.007 ))
6 0.1 0.1 peak 687 volume 94.05276 ppm1 7.791 ppm2 7.451
 
! ############### N15_CNnoesy.688 NOT folded
assi (attr store1 < 4.893 and attr store1 > 4.793 ) 
     ((attr store1 < 7.824 and attr store1 > 7.764 ) and bondedto
      (attr store1 < 114.787  and attr store1 > 113.987 ))
6 0.1 0.1 peak 688 volume 14.16932 ppm1 7.794 ppm2 4.843
 
! ############### N15_CNnoesy.689 NOT folded
assi (attr store1 < 4.7 and attr store1 > 4.6 ) 
     ((attr store1 < 7.822 and attr store1 > 7.762 ) and bondedto
      (attr store1 < 114.801  and attr store1 > 114.001 ))
6 0.1 0.1 peak 689 volume 10.15466 ppm1 7.792 ppm2 4.650
 
! ############### N15_CNnoesy.690 NOT folded
assi (attr store1 < 3.053 and attr store1 > 2.953 ) 
     ((attr store1 < 7.822 and attr store1 > 7.762 ) and bondedto
      (attr store1 < 114.783  and attr store1 > 113.983 ))
6 0.1 0.1 peak 690 volume 22.10365 ppm1 7.792 ppm2 3.003
 
! ############### N15_CNnoesy.691 NOT folded
assi (attr store1 < 2.473 and attr store1 > 2.373 ) 
     ((attr store1 < 7.82 and attr store1 > 7.76 ) and bondedto
      (attr store1 < 114.787  and attr store1 > 113.987 ))
6 0.1 0.1 peak 691 volume 17.96179 ppm1 7.790 ppm2 2.423
 
! ############### N15_CNnoesy.692 NOT folded
assi (attr store1 < 0.943 and attr store1 > 0.843 ) 
     ((attr store1 < 7.823 and attr store1 > 7.763 ) and bondedto
      (attr store1 < 114.801  and attr store1 > 114.001 ))
6 0.1 0.1 peak 692 volume 11.14223 ppm1 7.793 ppm2 0.893
 
! ############### N15_CNnoesy.693 NOT folded
assi (attr store1 < 8.204 and attr store1 > 8.104 ) 
     ((attr store1 < 7.524 and attr store1 > 7.464 ) and bondedto
      (attr store1 < 114.792  and attr store1 > 113.992 ))
6 0.1 0.1 peak 693 volume 8.07415 ppm1 7.494 ppm2 8.154
 
! ############### N15_CNnoesy.694 NOT folded
assi (attr store1 < 7.891 and attr store1 > 7.791 ) 
     ((attr store1 < 7.523 and attr store1 > 7.463 ) and bondedto
      (attr store1 < 114.807  and attr store1 > 114.007 ))
6 0.1 0.1 peak 694 volume 19.04648 ppm1 7.493 ppm2 7.841
 
! ############### N15_CNnoesy.695 NOT folded
assi (attr store1 < 7.543 and attr store1 > 7.443 ) 
     ((attr store1 < 7.524 and attr store1 > 7.464 ) and bondedto
      (attr store1 < 114.832  and attr store1 > 114.032 ))
6 0.1 0.1 peak 695 volume 402.92743 ppm1 7.494 ppm2 7.493
 
! ############### N15_CNnoesy.696 NOT folded
assi (attr store1 < 7.276 and attr store1 > 7.176 ) 
     ((attr store1 < 7.524 and attr store1 > 7.464 ) and bondedto
      (attr store1 < 114.841  and attr store1 > 114.041 ))
6 0.1 0.1 peak 696 volume 50.35310 ppm1 7.494 ppm2 7.226
 
! ############### N15_CNnoesy.697 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 7.524 and attr store1 > 7.464 ) and bondedto
      (attr store1 < 114.837  and attr store1 > 114.037 ))
6 0.1 0.1 peak 697 volume 48.41878 ppm1 7.494 ppm2 4.840
 
! ############### N15_CNnoesy.698 NOT folded
assi (attr store1 < 4.549 and attr store1 > 4.449 ) 
     ((attr store1 < 7.525 and attr store1 > 7.465 ) and bondedto
      (attr store1 < 114.829  and attr store1 > 114.029 ))
6 0.1 0.1 peak 698 volume 28.21780 ppm1 7.495 ppm2 4.499
 
! ############### N15_CNnoesy.699 NOT folded
assi (attr store1 < 4.116 and attr store1 > 4.016 ) 
     ((attr store1 < 7.524 and attr store1 > 7.464 ) and bondedto
      (attr store1 < 114.833  and attr store1 > 114.033 ))
6 0.1 0.1 peak 699 volume 44.55434 ppm1 7.494 ppm2 4.066
 
! ############### N15_CNnoesy.700 NOT folded
assi (attr store1 < 2.745 and attr store1 > 2.645 ) 
     ((attr store1 < 7.523 and attr store1 > 7.463 ) and bondedto
      (attr store1 < 114.835  and attr store1 > 114.035 ))
6 0.1 0.1 peak 700 volume 11.37285 ppm1 7.493 ppm2 2.695
 
! ############### N15_CNnoesy.701 NOT folded
assi (attr store1 < 2.65 and attr store1 > 2.55 ) 
     ((attr store1 < 7.522 and attr store1 > 7.462 ) and bondedto
      (attr store1 < 114.824  and attr store1 > 114.024 ))
6 0.1 0.1 peak 701 volume 9.48930 ppm1 7.492 ppm2 2.600
 
! ############### N15_CNnoesy.702 NOT folded
assi (attr store1 < 1.65 and attr store1 > 1.55 ) 
     ((attr store1 < 7.523 and attr store1 > 7.463 ) and bondedto
      (attr store1 < 114.83  and attr store1 > 114.03 ))
6 0.1 0.1 peak 702 volume 7.90909 ppm1 7.493 ppm2 1.600
 
! ############### N15_CNnoesy.703 NOT folded
assi (attr store1 < 1.428 and attr store1 > 1.328 ) 
     ((attr store1 < 7.525 and attr store1 > 7.465 ) and bondedto
      (attr store1 < 114.845  and attr store1 > 114.045 ))
6 0.1 0.1 peak 703 volume 8.46517 ppm1 7.495 ppm2 1.378
 
! ############### N15_CNnoesy.704 NOT folded
assi (attr store1 < 0.114 and attr store1 > 0.014 ) 
     ((attr store1 < 7.524 and attr store1 > 7.464 ) and bondedto
      (attr store1 < 114.835  and attr store1 > 114.035 ))
6 0.1 0.1 peak 704 volume 6.87149 ppm1 7.494 ppm2 0.064
 
! ############### N15_CNnoesy.705 NOT folded
assi (attr store1 < 0.81 and attr store1 > 0.71 ) 
     ((attr store1 < 7.517 and attr store1 > 7.457 ) and bondedto
      (attr store1 < 114.838  and attr store1 > 114.038 ))
6 0.1 0.1 peak 705 volume 6.42572 ppm1 7.487 ppm2 0.760
 
! ############### N15_CNnoesy.706 NOT folded
assi (attr store1 < 9.625 and attr store1 > 9.525 ) 
     ((attr store1 < 7.484 and attr store1 > 7.424 ) and bondedto
      (attr store1 < 114.795  and attr store1 > 113.995 ))
6 0.1 0.1 peak 706 volume 10.45330 ppm1 7.454 ppm2 9.575
 
! ############### N15_CNnoesy.707 NOT folded
assi (attr store1 < 7.842 and attr store1 > 7.742 ) 
     ((attr store1 < 7.483 and attr store1 > 7.423 ) and bondedto
      (attr store1 < 114.805  and attr store1 > 114.005 ))
6 0.1 0.1 peak 707 volume 96.65726 ppm1 7.453 ppm2 7.792
 
! ############### N15_CNnoesy.708 NOT folded
assi (attr store1 < 4.698 and attr store1 > 4.598 ) 
     ((attr store1 < 7.483 and attr store1 > 7.423 ) and bondedto
      (attr store1 < 114.812  and attr store1 > 114.012 ))
6 0.1 0.1 peak 708 volume 19.06730 ppm1 7.453 ppm2 4.648
 
! ############### N15_CNnoesy.709 NOT folded
assi (attr store1 < 3.054 and attr store1 > 2.954 ) 
     ((attr store1 < 7.482 and attr store1 > 7.422 ) and bondedto
      (attr store1 < 114.794  and attr store1 > 113.994 ))
6 0.1 0.1 peak 709 volume 18.12869 ppm1 7.452 ppm2 3.004
 
! ############### N15_CNnoesy.710 NOT folded
assi (attr store1 < 2.714 and attr store1 > 2.614 ) 
     ((attr store1 < 7.49 and attr store1 > 7.43 ) and bondedto
      (attr store1 < 114.829  and attr store1 > 114.029 ))
6 0.1 0.1 peak 710 volume 7.91328 ppm1 7.460 ppm2 2.664
 
! ############### N15_CNnoesy.711 NOT folded
assi (attr store1 < 2.479 and attr store1 > 2.379 ) 
     ((attr store1 < 7.483 and attr store1 > 7.423 ) and bondedto
      (attr store1 < 114.81  and attr store1 > 114.01 ))
6 0.1 0.1 peak 711 volume 12.97705 ppm1 7.453 ppm2 2.429
 
! ############### N15_CNnoesy.712 NOT folded
assi (attr store1 < 0.943 and attr store1 > 0.843 ) 
     ((attr store1 < 7.483 and attr store1 > 7.423 ) and bondedto
      (attr store1 < 114.808  and attr store1 > 114.008 ))
6 0.1 0.1 peak 712 volume 16.76861 ppm1 7.453 ppm2 0.893
 
! ############### N15_CNnoesy.713 NOT folded
assi (attr store1 < 1.936 and attr store1 > 1.836 ) 
     ((attr store1 < 9.274 and attr store1 > 9.214 ) and bondedto
      (attr store1 < 114.69  and attr store1 > 113.89 ))
6 0.1 0.1 peak 713 volume 6.00975 ppm1 9.244 ppm2 1.886
 
! ############### N15_CNnoesy.714 NOT folded
assi (attr store1 < 8.696 and attr store1 > 8.596 ) 
     ((attr store1 < 8.101 and attr store1 > 8.041 ) and bondedto
      (attr store1 < 114.703  and attr store1 > 113.903 ))
6 0.1 0.1 peak 714 volume 29.93498 ppm1 8.071 ppm2 8.646
 
! ############### N15_CNnoesy.715 NOT folded
assi (attr store1 < 8.28 and attr store1 > 8.18 ) 
     ((attr store1 < 8.099 and attr store1 > 8.039 ) and bondedto
      (attr store1 < 114.693  and attr store1 > 113.893 ))
6 0.1 0.1 peak 715 volume 11.74371 ppm1 8.069 ppm2 8.230
 
! ############### N15_CNnoesy.716 NOT folded
assi (attr store1 < 8.121 and attr store1 > 8.021 ) 
     ((attr store1 < 8.101 and attr store1 > 8.041 ) and bondedto
      (attr store1 < 114.698  and attr store1 > 113.898 ))
6 0.1 0.1 peak 716 volume 285.72369 ppm1 8.071 ppm2 8.071
 
! ############### N15_CNnoesy.717 NOT folded
assi (attr store1 < 7.956 and attr store1 > 7.856 ) 
     ((attr store1 < 8.101 and attr store1 > 8.041 ) and bondedto
      (attr store1 < 114.734  and attr store1 > 113.934 ))
6 0.1 0.1 peak 717 volume 8.01293 ppm1 8.071 ppm2 7.906
 
! ############### N15_CNnoesy.718 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 8.101 and attr store1 > 8.041 ) and bondedto
      (attr store1 < 114.7  and attr store1 > 113.9 ))
6 0.1 0.1 peak 718 volume 113.15401 ppm1 8.071 ppm2 4.839
 
! ############### N15_CNnoesy.719 NOT folded
assi (attr store1 < 4.604 and attr store1 > 4.504 ) 
     ((attr store1 < 8.1 and attr store1 > 8.04 ) and bondedto
      (attr store1 < 114.701  and attr store1 > 113.901 ))
6 0.1 0.1 peak 719 volume 31.42378 ppm1 8.070 ppm2 4.554
 
! ############### N15_CNnoesy.720 NOT folded
assi (attr store1 < 4.333 and attr store1 > 4.233 ) 
     ((attr store1 < 8.101 and attr store1 > 8.041 ) and bondedto
      (attr store1 < 114.698  and attr store1 > 113.898 ))
6 0.1 0.1 peak 720 volume 16.87102 ppm1 8.071 ppm2 4.283
 
! ############### N15_CNnoesy.721 NOT folded
assi (attr store1 < 4.185 and attr store1 > 4.085 ) 
     ((attr store1 < 8.101 and attr store1 > 8.041 ) and bondedto
      (attr store1 < 114.705  and attr store1 > 113.905 ))
6 0.1 0.1 peak 721 volume 54.94941 ppm1 8.071 ppm2 4.135
 
! ############### N15_CNnoesy.722 NOT folded
assi (attr store1 < 3.87 and attr store1 > 3.77 ) 
     ((attr store1 < 8.1 and attr store1 > 8.04 ) and bondedto
      (attr store1 < 114.702  and attr store1 > 113.902 ))
6 0.1 0.1 peak 722 volume 7.24241 ppm1 8.070 ppm2 3.820
 
! ############### N15_CNnoesy.723 NOT folded
assi (attr store1 < 2.405 and attr store1 > 2.305 ) 
     ((attr store1 < 8.099 and attr store1 > 8.039 ) and bondedto
      (attr store1 < 114.699  and attr store1 > 113.899 ))
6 0.1 0.1 peak 723 volume 6.00475 ppm1 8.069 ppm2 2.355
 
! ############### N15_CNnoesy.724 NOT folded
assi (attr store1 < 2.243 and attr store1 > 2.143 ) 
     ((attr store1 < 8.101 and attr store1 > 8.041 ) and bondedto
      (attr store1 < 114.699  and attr store1 > 113.899 ))
6 0.1 0.1 peak 724 volume 23.20709 ppm1 8.071 ppm2 2.193
 
! ############### N15_CNnoesy.725 NOT folded
assi (attr store1 < 2.701 and attr store1 > 2.601 ) 
     ((attr store1 < 7.822 and attr store1 > 7.762 ) and bondedto
      (attr store1 < 114.72  and attr store1 > 113.92 ))
6 0.1 0.1 peak 725 volume 5.88734 ppm1 7.792 ppm2 2.651
 
! ############### N15_CNnoesy.726 NOT folded
assi (attr store1 < 0.83 and attr store1 > 0.73 ) 
     ((attr store1 < 7.823 and attr store1 > 7.763 ) and bondedto
      (attr store1 < 114.729  and attr store1 > 113.929 ))
6 0.1 0.1 peak 726 volume 8.00276 ppm1 7.793 ppm2 0.780
 
! ############### N15_CNnoesy.727 NOT folded
assi (attr store1 < 9.298 and attr store1 > 9.198 ) 
     ((attr store1 < 9.278 and attr store1 > 9.218 ) and bondedto
      (attr store1 < 114.596  and attr store1 > 113.796 ))
6 0.1 0.1 peak 727 volume 193.49115 ppm1 9.248 ppm2 9.248
 
! ############### N15_CNnoesy.728 NOT folded
assi (attr store1 < 7.676 and attr store1 > 7.576 ) 
     ((attr store1 < 9.278 and attr store1 > 9.218 ) and bondedto
      (attr store1 < 114.601  and attr store1 > 113.801 ))
6 0.1 0.1 peak 728 volume 43.41697 ppm1 9.248 ppm2 7.626
 
! ############### N15_CNnoesy.729 NOT folded
assi (attr store1 < 4.879 and attr store1 > 4.779 ) 
     ((attr store1 < 9.278 and attr store1 > 9.218 ) and bondedto
      (attr store1 < 114.605  and attr store1 > 113.805 ))
6 0.1 0.1 peak 729 volume 46.28914 ppm1 9.248 ppm2 4.829
 
! ############### N15_CNnoesy.730 NOT folded
assi (attr store1 < 9.463 and attr store1 > 9.363 ) 
     ((attr store1 < 9.276 and attr store1 > 9.216 ) and bondedto
      (attr store1 < 114.607  and attr store1 > 113.807 ))
6 0.1 0.1 peak 730 volume 6.98209 ppm1 9.246 ppm2 9.413
 
! ############### N15_CNnoesy.731 NOT folded
assi (attr store1 < 9.139 and attr store1 > 9.039 ) 
     ((attr store1 < 9.276 and attr store1 > 9.216 ) and bondedto
      (attr store1 < 114.583  and attr store1 > 113.783 ))
6 0.1 0.1 peak 731 volume 7.78062 ppm1 9.246 ppm2 9.089
 
! ############### N15_CNnoesy.732 NOT folded
assi (attr store1 < 4.595 and attr store1 > 4.495 ) 
     ((attr store1 < 9.277 and attr store1 > 9.217 ) and bondedto
      (attr store1 < 114.583  and attr store1 > 113.783 ))
6 0.1 0.1 peak 732 volume 6.06517 ppm1 9.247 ppm2 4.545
 
! ############### N15_CNnoesy.733 NOT folded
assi (attr store1 < 4.242 and attr store1 > 4.142 ) 
     ((attr store1 < 9.277 and attr store1 > 9.217 ) and bondedto
      (attr store1 < 114.592  and attr store1 > 113.792 ))
6 0.1 0.1 peak 733 volume 77.54930 ppm1 9.247 ppm2 4.192
 
! ############### N15_CNnoesy.734 NOT folded
assi (attr store1 < 2.305 and attr store1 > 2.205 ) 
     ((attr store1 < 9.275 and attr store1 > 9.215 ) and bondedto
      (attr store1 < 114.606  and attr store1 > 113.806 ))
6 0.1 0.1 peak 734 volume 10.35725 ppm1 9.245 ppm2 2.255
 
! ############### N15_CNnoesy.735 NOT folded
assi (attr store1 < 1.293 and attr store1 > 1.193 ) 
     ((attr store1 < 9.277 and attr store1 > 9.217 ) and bondedto
      (attr store1 < 114.596  and attr store1 > 113.796 ))
6 0.1 0.1 peak 735 volume 21.75361 ppm1 9.247 ppm2 1.243
 
! ############### N15_CNnoesy.736 NOT folded
assi (attr store1 < 0.939 and attr store1 > 0.839 ) 
     ((attr store1 < 9.277 and attr store1 > 9.217 ) and bondedto
      (attr store1 < 114.583  and attr store1 > 113.783 ))
6 0.1 0.1 peak 736 volume 28.32687 ppm1 9.247 ppm2 0.889
 
! ############### N15_CNnoesy.737 NOT folded
assi (attr store1 < 7.836 and attr store1 > 7.736 ) 
     ((attr store1 < 7.652 and attr store1 > 7.592 ) and bondedto
      (attr store1 < 114.418  and attr store1 > 113.618 ))
6 0.1 0.1 peak 737 volume 18.03827 ppm1 7.622 ppm2 7.786
 
! ############### N15_CNnoesy.738 NOT folded
assi (attr store1 < 7.515 and attr store1 > 7.415 ) 
     ((attr store1 < 7.654 and attr store1 > 7.594 ) and bondedto
      (attr store1 < 114.415  and attr store1 > 113.615 ))
6 0.1 0.1 peak 738 volume 13.51523 ppm1 7.624 ppm2 7.465
 
! ############### N15_CNnoesy.739 NOT folded
assi (attr store1 < 5.041 and attr store1 > 4.941 ) 
     ((attr store1 < 7.655 and attr store1 > 7.595 ) and bondedto
      (attr store1 < 114.426  and attr store1 > 113.626 ))
6 0.1 0.1 peak 739 volume 18.55574 ppm1 7.625 ppm2 4.991
 
! ############### N15_CNnoesy.740 NOT folded
assi (attr store1 < 4.88 and attr store1 > 4.78 ) 
     ((attr store1 < 7.654 and attr store1 > 7.594 ) and bondedto
      (attr store1 < 114.404  and attr store1 > 113.604 ))
6 0.1 0.1 peak 740 volume 46.72219 ppm1 7.624 ppm2 4.830
 
! ############### N15_CNnoesy.741 NOT folded
assi (attr store1 < 4.238 and attr store1 > 4.138 ) 
     ((attr store1 < 7.654 and attr store1 > 7.594 ) and bondedto
      (attr store1 < 114.402  and attr store1 > 113.602 ))
6 0.1 0.1 peak 741 volume 16.95925 ppm1 7.624 ppm2 4.188
 
! ############### N15_CNnoesy.742 NOT folded
assi (attr store1 < 4.118 and attr store1 > 4.018 ) 
     ((attr store1 < 7.653 and attr store1 > 7.593 ) and bondedto
      (attr store1 < 114.402  and attr store1 > 113.602 ))
6 0.1 0.1 peak 742 volume 12.37146 ppm1 7.623 ppm2 4.068
 
! ############### N15_CNnoesy.743 NOT folded
assi (attr store1 < 0.807 and attr store1 > 0.707 ) 
     ((attr store1 < 7.651 and attr store1 > 7.591 ) and bondedto
      (attr store1 < 114.414  and attr store1 > 113.614 ))
6 0.1 0.1 peak 743 volume 9.15170 ppm1 7.621 ppm2 0.757
 
! ############### N15_CNnoesy.744 NOT folded
assi (attr store1 < 9.298 and attr store1 > 9.198 ) 
     ((attr store1 < 7.654 and attr store1 > 7.594 ) and bondedto
      (attr store1 < 114.397  and attr store1 > 113.597 ))
6 0.1 0.1 peak 744 volume 59.58884 ppm1 7.624 ppm2 9.248
 
! ############### N15_CNnoesy.745 NOT folded
assi (attr store1 < 7.673 and attr store1 > 7.573 ) 
     ((attr store1 < 7.654 and attr store1 > 7.594 ) and bondedto
      (attr store1 < 114.396  and attr store1 > 113.596 ))
6 0.1 0.1 peak 745 volume 386.15948 ppm1 7.624 ppm2 7.623
 
! ############### N15_CNnoesy.746 NOT folded
assi (attr store1 < 2.454 and attr store1 > 2.354 ) 
     ((attr store1 < 7.651 and attr store1 > 7.591 ) and bondedto
      (attr store1 < 114.364  and attr store1 > 113.564 ))
6 0.1 0.1 peak 746 volume 5.65112 ppm1 7.621 ppm2 2.404
 
! ############### N15_CNnoesy.747 NOT folded
assi (attr store1 < 2.298 and attr store1 > 2.198 ) 
     ((attr store1 < 7.653 and attr store1 > 7.593 ) and bondedto
      (attr store1 < 114.396  and attr store1 > 113.596 ))
6 0.1 0.1 peak 747 volume 29.66780 ppm1 7.623 ppm2 2.248
 
! ############### N15_CNnoesy.748 NOT folded
assi (attr store1 < 1.286 and attr store1 > 1.186 ) 
     ((attr store1 < 7.654 and attr store1 > 7.594 ) and bondedto
      (attr store1 < 114.383  and attr store1 > 113.583 ))
6 0.1 0.1 peak 748 volume 8.25560 ppm1 7.624 ppm2 1.236
 
! ############### N15_CNnoesy.749 NOT folded
assi (attr store1 < 0.939 and attr store1 > 0.839 ) 
     ((attr store1 < 7.653 and attr store1 > 7.593 ) and bondedto
      (attr store1 < 114.389  and attr store1 > 113.589 ))
6 0.1 0.1 peak 749 volume 42.45604 ppm1 7.623 ppm2 0.889
 
! ############### N15_CNnoesy.750 NOT folded
assi (attr store1 < 4.425 and attr store1 > 4.325 ) 
     ((attr store1 < 7.649 and attr store1 > 7.589 ) and bondedto
      (attr store1 < 114.385  and attr store1 > 113.585 ))
6 0.1 0.1 peak 750 volume 7.10544 ppm1 7.619 ppm2 4.375
 
! ############### N15_CNnoesy.751 NOT folded
assi (attr store1 < 8.092 and attr store1 > 7.992 ) 
     ((attr store1 < 8.109 and attr store1 > 8.049 ) and bondedto
      (attr store1 < 113.657  and attr store1 > 112.857 ))
6 0.1 0.1 peak 751 volume 6.19919 ppm1 8.079 ppm2 8.042
 
! ############### N15_CNnoesy.752 NOT folded
assi (attr store1 < 7.778 and attr store1 > 7.678 ) 
     ((attr store1 < 7.761 and attr store1 > 7.701 ) and bondedto
      (attr store1 < 113.181  and attr store1 > 112.381 ))
6 0.1 0.1 peak 752 volume 21.20818 ppm1 7.731 ppm2 7.728
 
! ############### N15_CNnoesy.753 NOT folded
assi (attr store1 < 7.103 and attr store1 > 7.003 ) 
     ((attr store1 < 7.761 and attr store1 > 7.701 ) and bondedto
      (attr store1 < 113.174  and attr store1 > 112.374 ))
6 0.1 0.1 peak 753 volume 31.65772 ppm1 7.731 ppm2 7.053
 
! ############### N15_CNnoesy.754 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.761 and attr store1 > 7.701 ) and bondedto
      (attr store1 < 113.179  and attr store1 > 112.379 ))
6 0.1 0.1 peak 754 volume 233.22095 ppm1 7.731 ppm2 4.839
 
! ############### N15_CNnoesy.755 NOT folded
assi (attr store1 < 2.973 and attr store1 > 2.873 ) 
     ((attr store1 < 7.761 and attr store1 > 7.701 ) and bondedto
      (attr store1 < 113.187  and attr store1 > 112.387 ))
6 0.1 0.1 peak 755 volume 11.40005 ppm1 7.731 ppm2 2.923
 
! ############### N15_CNnoesy.756 NOT folded
assi (attr store1 < 7.782 and attr store1 > 7.682 ) 
     ((attr store1 < 7.082 and attr store1 > 7.022 ) and bondedto
      (attr store1 < 113.181  and attr store1 > 112.381 ))
6 0.1 0.1 peak 756 volume 33.21587 ppm1 7.052 ppm2 7.732
 
! ############### N15_CNnoesy.757 NOT folded
assi (attr store1 < 7.1 and attr store1 > 7.0 ) 
     ((attr store1 < 7.082 and attr store1 > 7.022 ) and bondedto
      (attr store1 < 113.19  and attr store1 > 112.39 ))
6 0.1 0.1 peak 757 volume 73.60256 ppm1 7.052 ppm2 7.050
 
! ############### N15_CNnoesy.758 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.081 and attr store1 > 7.021 ) and bondedto
      (attr store1 < 113.183  and attr store1 > 112.383 ))
6 0.1 0.1 peak 758 volume 288.63062 ppm1 7.051 ppm2 4.839
 
! ############### N15_CNnoesy.759 NOT folded
assi (attr store1 < 2.977 and attr store1 > 2.877 ) 
     ((attr store1 < 7.083 and attr store1 > 7.023 ) and bondedto
      (attr store1 < 113.178  and attr store1 > 112.378 ))
6 0.1 0.1 peak 759 volume 9.30549 ppm1 7.053 ppm2 2.927
 
! ############### N15_CNnoesy.760 NOT folded
assi (attr store1 < 7.656 and attr store1 > 7.556 ) 
     ((attr store1 < 7.642 and attr store1 > 7.582 ) and bondedto
      (attr store1 < 112.896  and attr store1 > 112.096 ))
6 0.1 0.1 peak 760 volume 184.49762 ppm1 7.612 ppm2 7.606
 
! ############### N15_CNnoesy.761 NOT folded
assi (attr store1 < 7.002 and attr store1 > 6.902 ) 
     ((attr store1 < 7.643 and attr store1 > 7.583 ) and bondedto
      (attr store1 < 112.899  and attr store1 > 112.099 ))
6 0.1 0.1 peak 761 volume 162.30493 ppm1 7.613 ppm2 6.952
 
! ############### N15_CNnoesy.762 NOT folded
assi (attr store1 < 4.885 and attr store1 > 4.785 ) 
     ((attr store1 < 7.381 and attr store1 > 7.321 ) and bondedto
      (attr store1 < 112.938  and attr store1 > 112.138 ))
6 0.1 0.1 peak 762 volume 7.29732 ppm1 7.351 ppm2 4.835
 
! ############### N15_CNnoesy.763 NOT folded
assi (attr store1 < 6.321 and attr store1 > 6.221 ) 
     ((attr store1 < 6.98 and attr store1 > 6.92 ) and bondedto
      (attr store1 < 112.923  and attr store1 > 112.123 ))
6 0.1 0.1 peak 763 volume 5.80748 ppm1 6.950 ppm2 6.271
 
! ############### N15_CNnoesy.764 NOT folded
assi (attr store1 < 4.884 and attr store1 > 4.784 ) 
     ((attr store1 < 6.692 and attr store1 > 6.632 ) and bondedto
      (attr store1 < 112.983  and attr store1 > 112.183 ))
6 0.1 0.1 peak 764 volume 6.36145 ppm1 6.662 ppm2 4.834
 
! ############### N15_CNnoesy.765 NOT folded
assi (attr store1 < 9.263 and attr store1 > 9.163 ) 
     ((attr store1 < 9.243 and attr store1 > 9.183 ) and bondedto
      (attr store1 < 112.865  and attr store1 > 112.065 ))
6 0.1 0.1 peak 765 volume 303.04968 ppm1 9.213 ppm2 9.213
 
! ############### N15_CNnoesy.766 NOT folded
assi (attr store1 < 8.977 and attr store1 > 8.877 ) 
     ((attr store1 < 9.24 and attr store1 > 9.18 ) and bondedto
      (attr store1 < 112.849  and attr store1 > 112.049 ))
6 0.1 0.1 peak 766 volume 6.35885 ppm1 9.210 ppm2 8.927
 
! ############### N15_CNnoesy.767 NOT folded
assi (attr store1 < 8.733 and attr store1 > 8.633 ) 
     ((attr store1 < 9.243 and attr store1 > 9.183 ) and bondedto
      (attr store1 < 112.859  and attr store1 > 112.059 ))
6 0.1 0.1 peak 767 volume 27.44432 ppm1 9.213 ppm2 8.683
 
! ############### N15_CNnoesy.768 NOT folded
assi (attr store1 < 7.364 and attr store1 > 7.264 ) 
     ((attr store1 < 9.242 and attr store1 > 9.182 ) and bondedto
      (attr store1 < 112.871  and attr store1 > 112.071 ))
6 0.1 0.1 peak 768 volume 55.01659 ppm1 9.212 ppm2 7.314
 
! ############### N15_CNnoesy.769 NOT folded
assi (attr store1 < 4.887 and attr store1 > 4.787 ) 
     ((attr store1 < 9.243 and attr store1 > 9.183 ) and bondedto
      (attr store1 < 112.89  and attr store1 > 112.09 ))
6 0.1 0.1 peak 769 volume 9.16504 ppm1 9.213 ppm2 4.837
 
! ############### N15_CNnoesy.770 NOT folded
assi (attr store1 < 4.59 and attr store1 > 4.49 ) 
     ((attr store1 < 9.241 and attr store1 > 9.181 ) and bondedto
      (attr store1 < 112.866  and attr store1 > 112.066 ))
6 0.1 0.1 peak 770 volume 15.31620 ppm1 9.211 ppm2 4.540
 
! ############### N15_CNnoesy.771 NOT folded
assi (attr store1 < 4.137 and attr store1 > 4.037 ) 
     ((attr store1 < 9.243 and attr store1 > 9.183 ) and bondedto
      (attr store1 < 112.864  and attr store1 > 112.064 ))
6 0.1 0.1 peak 771 volume 10.27573 ppm1 9.213 ppm2 4.087
 
! ############### N15_CNnoesy.772 NOT folded
assi (attr store1 < 3.85 and attr store1 > 3.75 ) 
     ((attr store1 < 9.244 and attr store1 > 9.184 ) and bondedto
      (attr store1 < 112.864  and attr store1 > 112.064 ))
6 0.1 0.1 peak 772 volume 18.44462 ppm1 9.214 ppm2 3.800
 
! ############### N15_CNnoesy.773 NOT folded
assi (attr store1 < 1.811 and attr store1 > 1.711 ) 
     ((attr store1 < 9.243 and attr store1 > 9.183 ) and bondedto
      (attr store1 < 112.867  and attr store1 > 112.067 ))
6 0.1 0.1 peak 773 volume 37.50429 ppm1 9.213 ppm2 1.761
 
! ############### N15_CNnoesy.774 NOT folded
assi (attr store1 < 1.451 and attr store1 > 1.351 ) 
     ((attr store1 < 9.243 and attr store1 > 9.183 ) and bondedto
      (attr store1 < 112.857  and attr store1 > 112.057 ))
6 0.1 0.1 peak 774 volume 55.36406 ppm1 9.213 ppm2 1.401
 
! ############### N15_CNnoesy.775 NOT folded
assi (attr store1 < 0.969 and attr store1 > 0.869 ) 
     ((attr store1 < 9.243 and attr store1 > 9.183 ) and bondedto
      (attr store1 < 112.862  and attr store1 > 112.062 ))
6 0.1 0.1 peak 775 volume 22.29570 ppm1 9.213 ppm2 0.919
 
! ############### N15_CNnoesy.776 NOT folded
assi (attr store1 < 5.161 and attr store1 > 5.061 ) 
     ((attr store1 < 7.68 and attr store1 > 7.62 ) and bondedto
      (attr store1 < 112.789  and attr store1 > 111.989 ))
6 0.1 0.1 peak 776 volume 5.52184 ppm1 7.650 ppm2 5.111
 
! ############### N15_CNnoesy.777 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 7.678 and attr store1 > 7.618 ) and bondedto
      (attr store1 < 112.782  and attr store1 > 111.982 ))
6 0.1 0.1 peak 777 volume 575.71045 ppm1 7.648 ppm2 4.840
 
! ############### N15_CNnoesy.778 NOT folded
assi (attr store1 < 5.061 and attr store1 > 4.961 ) 
     ((attr store1 < 7.645 and attr store1 > 7.585 ) and bondedto
      (attr store1 < 112.865  and attr store1 > 112.065 ))
6 0.1 0.1 peak 778 volume 8.28192 ppm1 7.615 ppm2 5.011
 
! ############### N15_CNnoesy.779 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.644 and attr store1 > 7.584 ) and bondedto
      (attr store1 < 112.892  and attr store1 > 112.092 ))
6 0.1 0.1 peak 779 volume 499.58673 ppm1 7.614 ppm2 4.839
 
! ############### N15_CNnoesy.780 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.46 and attr store1 > 7.4 ) and bondedto
      (attr store1 < 112.8  and attr store1 > 112.0 ))
6 0.1 0.1 peak 780 volume 8.94056 ppm1 7.430 ppm2 4.839
 
! ############### N15_CNnoesy.781 NOT folded
assi (attr store1 < 4.883 and attr store1 > 4.783 ) 
     ((attr store1 < 7.409 and attr store1 > 7.349 ) and bondedto
      (attr store1 < 112.845  and attr store1 > 112.045 ))
6 0.1 0.1 peak 781 volume 7.74896 ppm1 7.379 ppm2 4.833
 
! ############### N15_CNnoesy.782 NOT folded
assi (attr store1 < 4.888 and attr store1 > 4.788 ) 
     ((attr store1 < 7.331 and attr store1 > 7.271 ) and bondedto
      (attr store1 < 112.877  and attr store1 > 112.077 ))
6 0.1 0.1 peak 782 volume 5.78917 ppm1 7.301 ppm2 4.838
 
! ############### N15_CNnoesy.783 NOT folded
assi (attr store1 < 4.9 and attr store1 > 4.8 ) 
     ((attr store1 < 7.282 and attr store1 > 7.222 ) and bondedto
      (attr store1 < 112.834  and attr store1 > 112.034 ))
6 0.1 0.1 peak 783 volume 5.76559 ppm1 7.252 ppm2 4.850
 
! ############### N15_CNnoesy.784 NOT folded
assi (attr store1 < 5.058 and attr store1 > 4.958 ) 
     ((attr store1 < 6.999 and attr store1 > 6.939 ) and bondedto
      (attr store1 < 112.851  and attr store1 > 112.051 ))
6 0.1 0.1 peak 784 volume 6.34860 ppm1 6.969 ppm2 5.008
 
! ############### N15_CNnoesy.785 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.001 and attr store1 > 6.941 ) and bondedto
      (attr store1 < 112.883  and attr store1 > 112.083 ))
6 0.1 0.1 peak 785 volume 456.02060 ppm1 6.971 ppm2 4.839
 
! ############### N15_CNnoesy.786 NOT folded
assi (attr store1 < 7.669 and attr store1 > 7.569 ) 
     ((attr store1 < 6.986 and attr store1 > 6.926 ) and bondedto
      (attr store1 < 112.891  and attr store1 > 112.091 ))
6 0.1 0.1 peak 786 volume 134.48454 ppm1 6.956 ppm2 7.619
 
! ############### N15_CNnoesy.787 NOT folded
assi (attr store1 < 7.29 and attr store1 > 7.19 ) 
     ((attr store1 < 6.991 and attr store1 > 6.931 ) and bondedto
      (attr store1 < 112.886  and attr store1 > 112.086 ))
6 0.1 0.1 peak 787 volume 5.93342 ppm1 6.961 ppm2 7.240
 
! ############### N15_CNnoesy.788 NOT folded
assi (attr store1 < 7.01 and attr store1 > 6.91 ) 
     ((attr store1 < 6.987 and attr store1 > 6.927 ) and bondedto
      (attr store1 < 112.89  and attr store1 > 112.09 ))
6 0.1 0.1 peak 788 volume 609.97089 ppm1 6.957 ppm2 6.960
 
! ############### N15_CNnoesy.789 NOT folded
assi (attr store1 < 6.846 and attr store1 > 6.746 ) 
     ((attr store1 < 6.985 and attr store1 > 6.925 ) and bondedto
      (attr store1 < 112.868  and attr store1 > 112.068 ))
6 0.1 0.1 peak 789 volume 9.68160 ppm1 6.955 ppm2 6.796
 
! ############### N15_CNnoesy.790 NOT folded
assi (attr store1 < 6.73 and attr store1 > 6.63 ) 
     ((attr store1 < 6.991 and attr store1 > 6.931 ) and bondedto
      (attr store1 < 112.853  and attr store1 > 112.053 ))
6 0.1 0.1 peak 790 volume 6.66527 ppm1 6.961 ppm2 6.680
 
! ############### N15_CNnoesy.791 NOT folded
assi (attr store1 < 7.008 and attr store1 > 6.908 ) 
     ((attr store1 < 6.682 and attr store1 > 6.622 ) and bondedto
      (attr store1 < 112.846  and attr store1 > 112.046 ))
6 0.1 0.1 peak 791 volume 5.58272 ppm1 6.652 ppm2 6.958
 
! ############### N15_CNnoesy.792 NOT folded
assi (attr store1 < 7.016 and attr store1 > 6.916 ) 
     ((attr store1 < 6.574 and attr store1 > 6.514 ) and bondedto
      (attr store1 < 112.842  and attr store1 > 112.042 ))
6 0.1 0.1 peak 792 volume 7.02016 ppm1 6.544 ppm2 6.966
 
! ############### N15_CNnoesy.793 NOT folded
assi (attr store1 < 7.698 and attr store1 > 7.598 ) 
     ((attr store1 < 7.679 and attr store1 > 7.619 ) and bondedto
      (attr store1 < 112.697  and attr store1 > 111.897 ))
6 0.1 0.1 peak 793 volume 141.58052 ppm1 7.649 ppm2 7.648
 
! ############### N15_CNnoesy.794 NOT folded
assi (attr store1 < 7.048 and attr store1 > 6.948 ) 
     ((attr store1 < 7.679 and attr store1 > 7.619 ) and bondedto
      (attr store1 < 112.693  and attr store1 > 111.893 ))
6 0.1 0.1 peak 794 volume 125.15808 ppm1 7.649 ppm2 6.998
 
! ############### N15_CNnoesy.795 NOT folded
assi (attr store1 < 5.057 and attr store1 > 4.957 ) 
     ((attr store1 < 7.68 and attr store1 > 7.62 ) and bondedto
      (attr store1 < 112.75  and attr store1 > 111.95 ))
6 0.1 0.1 peak 795 volume 11.45244 ppm1 7.650 ppm2 5.007
 
! ############### N15_CNnoesy.796 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.052 and attr store1 > 6.992 ) and bondedto
      (attr store1 < 112.551  and attr store1 > 111.751 ))
6 0.1 0.1 peak 796 volume 222.02054 ppm1 7.022 ppm2 4.839
 
! ############### N15_CNnoesy.797 NOT folded
assi (attr store1 < 7.702 and attr store1 > 7.602 ) 
     ((attr store1 < 7.052 and attr store1 > 6.992 ) and bondedto
      (attr store1 < 112.528  and attr store1 > 111.728 ))
6 0.1 0.1 peak 797 volume 78.72336 ppm1 7.022 ppm2 7.652
 
! ############### N15_CNnoesy.798 NOT folded
assi (attr store1 < 7.231 and attr store1 > 7.131 ) 
     ((attr store1 < 7.053 and attr store1 > 6.993 ) and bondedto
      (attr store1 < 112.519  and attr store1 > 111.719 ))
6 0.1 0.1 peak 798 volume 6.26969 ppm1 7.023 ppm2 7.181
 
! ############### N15_CNnoesy.799 NOT folded
assi (attr store1 < 7.072 and attr store1 > 6.972 ) 
     ((attr store1 < 7.052 and attr store1 > 6.992 ) and bondedto
      (attr store1 < 112.52  and attr store1 > 111.72 ))
6 0.1 0.1 peak 799 volume 350.04166 ppm1 7.022 ppm2 7.022
 
! ############### N15_CNnoesy.800 NOT folded
assi (attr store1 < 8.053 and attr store1 > 7.953 ) 
     ((attr store1 < 8.033 and attr store1 > 7.973 ) and bondedto
      (attr store1 < 112.406  and attr store1 > 111.606 ))
6 0.1 0.1 peak 800 volume 276.40912 ppm1 8.003 ppm2 8.003
 
! ############### N15_CNnoesy.801 NOT folded
assi (attr store1 < 7.755 and attr store1 > 7.655 ) 
     ((attr store1 < 8.034 and attr store1 > 7.974 ) and bondedto
      (attr store1 < 112.411  and attr store1 > 111.611 ))
6 0.1 0.1 peak 801 volume 12.55486 ppm1 8.004 ppm2 7.705
 
! ############### N15_CNnoesy.802 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 8.034 and attr store1 > 7.974 ) and bondedto
      (attr store1 < 112.401  and attr store1 > 111.601 ))
6 0.1 0.1 peak 802 volume 47.83609 ppm1 8.004 ppm2 4.840
 
! ############### N15_CNnoesy.803 NOT folded
assi (attr store1 < 4.372 and attr store1 > 4.272 ) 
     ((attr store1 < 8.033 and attr store1 > 7.973 ) and bondedto
      (attr store1 < 112.409  and attr store1 > 111.609 ))
6 0.1 0.1 peak 803 volume 35.49147 ppm1 8.003 ppm2 4.322
 
! ############### N15_CNnoesy.804 NOT folded
assi (attr store1 < 4.158 and attr store1 > 4.058 ) 
     ((attr store1 < 8.033 and attr store1 > 7.973 ) and bondedto
      (attr store1 < 112.404  and attr store1 > 111.604 ))
6 0.1 0.1 peak 804 volume 113.72232 ppm1 8.003 ppm2 4.108
 
! ############### N15_CNnoesy.805 NOT folded
assi (attr store1 < 2.341 and attr store1 > 2.241 ) 
     ((attr store1 < 8.032 and attr store1 > 7.972 ) and bondedto
      (attr store1 < 112.397  and attr store1 > 111.597 ))
6 0.1 0.1 peak 805 volume 22.29305 ppm1 8.002 ppm2 2.291
 
! ############### N15_CNnoesy.806 NOT folded
assi (attr store1 < 2.19 and attr store1 > 2.09 ) 
     ((attr store1 < 8.032 and attr store1 > 7.972 ) and bondedto
      (attr store1 < 112.407  and attr store1 > 111.607 ))
6 0.1 0.1 peak 806 volume 8.66241 ppm1 8.002 ppm2 2.140
 
! ############### N15_CNnoesy.807 NOT folded
assi (attr store1 < 1.978 and attr store1 > 1.878 ) 
     ((attr store1 < 8.034 and attr store1 > 7.974 ) and bondedto
      (attr store1 < 112.433  and attr store1 > 111.633 ))
6 0.1 0.1 peak 807 volume 10.73670 ppm1 8.004 ppm2 1.928
 
! ############### N15_CNnoesy.808 NOT folded
assi (attr store1 < 1.392 and attr store1 > 1.292 ) 
     ((attr store1 < 8.034 and attr store1 > 7.974 ) and bondedto
      (attr store1 < 112.41  and attr store1 > 111.61 ))
6 0.1 0.1 peak 808 volume 9.11927 ppm1 8.004 ppm2 1.342
 
! ############### N15_CNnoesy.809 NOT folded
assi (attr store1 < 0.962 and attr store1 > 0.862 ) 
     ((attr store1 < 8.033 and attr store1 > 7.973 ) and bondedto
      (attr store1 < 112.374  and attr store1 > 111.574 ))
6 0.1 0.1 peak 809 volume 7.27961 ppm1 8.003 ppm2 0.912
 
! ############### N15_CNnoesy.810 NOT folded
assi (attr store1 < 0.806 and attr store1 > 0.706 ) 
     ((attr store1 < 8.033 and attr store1 > 7.973 ) and bondedto
      (attr store1 < 112.418  and attr store1 > 111.618 ))
6 0.1 0.1 peak 810 volume 31.49451 ppm1 8.003 ppm2 0.756
 
! ############### N15_CNnoesy.811 NOT folded
assi (attr store1 < 7.675 and attr store1 > 7.575 ) 
     ((attr store1 < 7.643 and attr store1 > 7.583 ) and bondedto
      (attr store1 < 112.047  and attr store1 > 111.247 ))
6 0.1 0.1 peak 811 volume 27.79241 ppm1 7.613 ppm2 7.625
 
! ############### N15_CNnoesy.812 NOT folded
assi (attr store1 < 7.8 and attr store1 > 7.7 ) 
     ((attr store1 < 7.498 and attr store1 > 7.438 ) and bondedto
      (attr store1 < 111.571  and attr store1 > 110.771 ))
6 0.1 0.1 peak 812 volume 6.66151 ppm1 7.468 ppm2 7.750
 
! ############### N15_CNnoesy.813 NOT folded
assi (attr store1 < 7.677 and attr store1 > 7.577 ) 
     ((attr store1 < 7.498 and attr store1 > 7.438 ) and bondedto
      (attr store1 < 111.549  and attr store1 > 110.749 ))
6 0.1 0.1 peak 813 volume 6.52096 ppm1 7.468 ppm2 7.627
 
! ############### N15_CNnoesy.814 NOT folded
assi (attr store1 < 7.519 and attr store1 > 7.419 ) 
     ((attr store1 < 7.499 and attr store1 > 7.439 ) and bondedto
      (attr store1 < 111.526  and attr store1 > 110.726 ))
6 0.1 0.1 peak 814 volume 365.77643 ppm1 7.469 ppm2 7.469
 
! ############### N15_CNnoesy.815 NOT folded
assi (attr store1 < 7.368 and attr store1 > 7.268 ) 
     ((attr store1 < 7.499 and attr store1 > 7.439 ) and bondedto
      (attr store1 < 111.545  and attr store1 > 110.745 ))
6 0.1 0.1 peak 815 volume 7.65602 ppm1 7.469 ppm2 7.318
 
! ############### N15_CNnoesy.816 NOT folded
assi (attr store1 < 7.043 and attr store1 > 6.943 ) 
     ((attr store1 < 7.5 and attr store1 > 7.44 ) and bondedto
      (attr store1 < 111.55  and attr store1 > 110.75 ))
6 0.1 0.1 peak 816 volume 6.92829 ppm1 7.470 ppm2 6.993
 
! ############### N15_CNnoesy.817 NOT folded
assi (attr store1 < 6.89 and attr store1 > 6.79 ) 
     ((attr store1 < 7.499 and attr store1 > 7.439 ) and bondedto
      (attr store1 < 111.533  and attr store1 > 110.733 ))
6 0.1 0.1 peak 817 volume 271.96021 ppm1 7.469 ppm2 6.840
 
! ############### N15_CNnoesy.818 NOT folded
assi (attr store1 < 6.735 and attr store1 > 6.635 ) 
     ((attr store1 < 7.499 and attr store1 > 7.439 ) and bondedto
      (attr store1 < 111.553  and attr store1 > 110.753 ))
6 0.1 0.1 peak 818 volume 7.69003 ppm1 7.469 ppm2 6.685
 
! ############### N15_CNnoesy.819 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.499 and attr store1 > 7.439 ) and bondedto
      (attr store1 < 111.536  and attr store1 > 110.736 ))
6 0.1 0.1 peak 819 volume 145.21547 ppm1 7.469 ppm2 4.839
 
! ############### N15_CNnoesy.820 NOT folded
assi (attr store1 < 2.656 and attr store1 > 2.556 ) 
     ((attr store1 < 7.5 and attr store1 > 7.44 ) and bondedto
      (attr store1 < 111.524  and attr store1 > 110.724 ))
6 0.1 0.1 peak 820 volume 18.01889 ppm1 7.470 ppm2 2.606
 
! ############### N15_CNnoesy.821 NOT folded
assi (attr store1 < 7.52 and attr store1 > 7.42 ) 
     ((attr store1 < 6.87 and attr store1 > 6.81 ) and bondedto
      (attr store1 < 111.537  and attr store1 > 110.737 ))
6 0.1 0.1 peak 821 volume 259.03076 ppm1 6.840 ppm2 7.470
 
! ############### N15_CNnoesy.822 NOT folded
assi (attr store1 < 6.89 and attr store1 > 6.79 ) 
     ((attr store1 < 6.87 and attr store1 > 6.81 ) and bondedto
      (attr store1 < 111.533  and attr store1 > 110.733 ))
6 0.1 0.1 peak 822 volume 447.24991 ppm1 6.840 ppm2 6.840
 
! ############### N15_CNnoesy.823 NOT folded
assi (attr store1 < 6.737 and attr store1 > 6.637 ) 
     ((attr store1 < 6.87 and attr store1 > 6.81 ) and bondedto
      (attr store1 < 111.548  and attr store1 > 110.748 ))
6 0.1 0.1 peak 823 volume 7.99313 ppm1 6.840 ppm2 6.687
 
! ############### N15_CNnoesy.824 NOT folded
assi (attr store1 < 4.888 and attr store1 > 4.788 ) 
     ((attr store1 < 6.87 and attr store1 > 6.81 ) and bondedto
      (attr store1 < 111.541  and attr store1 > 110.741 ))
6 0.1 0.1 peak 824 volume 122.99113 ppm1 6.840 ppm2 4.838
 
! ############### N15_CNnoesy.825 NOT folded
assi (attr store1 < 2.659 and attr store1 > 2.559 ) 
     ((attr store1 < 6.869 and attr store1 > 6.809 ) and bondedto
      (attr store1 < 111.553  and attr store1 > 110.753 ))
6 0.1 0.1 peak 825 volume 11.79739 ppm1 6.839 ppm2 2.609
 
! ############### N15_CNnoesy.826 NOT folded
assi (attr store1 < 7.179 and attr store1 > 7.079 ) 
     ((attr store1 < 6.867 and attr store1 > 6.807 ) and bondedto
      (attr store1 < 111.52  and attr store1 > 110.72 ))
6 0.1 0.1 peak 826 volume 6.61818 ppm1 6.837 ppm2 7.129
 
! ############### N15_CNnoesy.827 NOT folded
assi (attr store1 < 7.046 and attr store1 > 6.946 ) 
     ((attr store1 < 6.871 and attr store1 > 6.811 ) and bondedto
      (attr store1 < 111.503  and attr store1 > 110.703 ))
6 0.1 0.1 peak 827 volume 8.91681 ppm1 6.841 ppm2 6.996
 
! ############### N15_CNnoesy.828 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 8.63 and attr store1 > 8.57 ) and bondedto
      (attr store1 < 111.36  and attr store1 > 110.56 ))
6 0.1 0.1 peak 828 volume 128.10396 ppm1 8.600 ppm2 4.840
 
! ############### N15_CNnoesy.829 NOT folded
assi (attr store1 < 4.355 and attr store1 > 4.255 ) 
     ((attr store1 < 8.628 and attr store1 > 8.568 ) and bondedto
      (attr store1 < 111.363  and attr store1 > 110.563 ))
6 0.1 0.1 peak 829 volume 16.08333 ppm1 8.598 ppm2 4.305
 
! ############### N15_CNnoesy.830 NOT folded
assi (attr store1 < 3.677 and attr store1 > 3.577 ) 
     ((attr store1 < 8.626 and attr store1 > 8.566 ) and bondedto
      (attr store1 < 111.363  and attr store1 > 110.563 ))
6 0.1 0.1 peak 830 volume 6.51182 ppm1 8.596 ppm2 3.627
 
! ############### N15_CNnoesy.831 NOT folded
assi (attr store1 < 6.701 and attr store1 > 6.601 ) 
     ((attr store1 < 6.679 and attr store1 > 6.619 ) and bondedto
      (attr store1 < 111.084  and attr store1 > 110.284 ))
6 0.1 0.1 peak 831 volume 7.51616 ppm1 6.649 ppm2 6.651
 
! ############### N15_CNnoesy.832 NOT folded
assi (attr store1 < 4.89 and attr store1 > 4.79 ) 
     ((attr store1 < 8.266 and attr store1 > 8.206 ) and bondedto
      (attr store1 < 110.439  and attr store1 > 109.639 ))
6 0.1 0.1 peak 832 volume 160.34650 ppm1 8.236 ppm2 4.840
 
! ############### N15_CNnoesy.833 NOT folded
assi (attr store1 < 4.157 and attr store1 > 4.057 ) 
     ((attr store1 < 8.268 and attr store1 > 8.208 ) and bondedto
      (attr store1 < 110.446  and attr store1 > 109.646 ))
6 0.1 0.1 peak 833 volume 14.52186 ppm1 8.238 ppm2 4.107
 
! ############### N15_CNnoesy.834 NOT folded
assi (attr store1 < 7.294 and attr store1 > 7.194 ) 
     ((attr store1 < 7.434 and attr store1 > 7.374 ) and bondedto
      (attr store1 < 110.241  and attr store1 > 109.441 ))
6 0.1 0.1 peak 834 volume 15.24855 ppm1 7.404 ppm2 7.244
 
! ############### N15_CNnoesy.835 NOT folded
assi (attr store1 < 8.704 and attr store1 > 8.604 ) 
     ((attr store1 < 7.436 and attr store1 > 7.376 ) and bondedto
      (attr store1 < 110.204  and attr store1 > 109.404 ))
6 0.1 0.1 peak 835 volume 33.70366 ppm1 7.406 ppm2 8.654
 
! ############### N15_CNnoesy.836 NOT folded
assi (attr store1 < 8.479 and attr store1 > 8.379 ) 
     ((attr store1 < 7.434 and attr store1 > 7.374 ) and bondedto
      (attr store1 < 110.2  and attr store1 > 109.4 ))
6 0.1 0.1 peak 836 volume 6.10669 ppm1 7.404 ppm2 8.429
 
! ############### N15_CNnoesy.837 NOT folded
assi (attr store1 < 7.633 and attr store1 > 7.533 ) 
     ((attr store1 < 7.436 and attr store1 > 7.376 ) and bondedto
      (attr store1 < 110.216  and attr store1 > 109.416 ))
6 0.1 0.1 peak 837 volume 53.08042 ppm1 7.406 ppm2 7.583
 
! ############### N15_CNnoesy.838 NOT folded
assi (attr store1 < 7.457 and attr store1 > 7.357 ) 
     ((attr store1 < 7.436 and attr store1 > 7.376 ) and bondedto
      (attr store1 < 110.208  and attr store1 > 109.408 ))
6 0.1 0.1 peak 838 volume 430.09076 ppm1 7.406 ppm2 7.407
 
! ############### N15_CNnoesy.839 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.437 and attr store1 > 7.377 ) and bondedto
      (attr store1 < 110.233  and attr store1 > 109.433 ))
6 0.1 0.1 peak 839 volume 36.40067 ppm1 7.407 ppm2 4.839
 
! ############### N15_CNnoesy.840 NOT folded
assi (attr store1 < 4.756 and attr store1 > 4.656 ) 
     ((attr store1 < 7.437 and attr store1 > 7.377 ) and bondedto
      (attr store1 < 110.215  and attr store1 > 109.415 ))
6 0.1 0.1 peak 840 volume 29.99537 ppm1 7.407 ppm2 4.706
 
! ############### N15_CNnoesy.841 NOT folded
assi (attr store1 < 4.194 and attr store1 > 4.094 ) 
     ((attr store1 < 7.436 and attr store1 > 7.376 ) and bondedto
      (attr store1 < 110.208  and attr store1 > 109.408 ))
6 0.1 0.1 peak 841 volume 57.32641 ppm1 7.406 ppm2 4.144
 
! ############### N15_CNnoesy.842 NOT folded
assi (attr store1 < 2.089 and attr store1 > 1.989 ) 
     ((attr store1 < 7.437 and attr store1 > 7.377 ) and bondedto
      (attr store1 < 110.205  and attr store1 > 109.405 ))
6 0.1 0.1 peak 842 volume 21.39362 ppm1 7.407 ppm2 2.039
 
! ############### N15_CNnoesy.843 NOT folded
assi (attr store1 < 1.593 and attr store1 > 1.493 ) 
     ((attr store1 < 7.438 and attr store1 > 7.378 ) and bondedto
      (attr store1 < 110.139  and attr store1 > 109.339 ))
6 0.1 0.1 peak 843 volume 6.39836 ppm1 7.408 ppm2 1.543
 
! ############### N15_CNnoesy.844 NOT folded
assi (attr store1 < 4.886 and attr store1 > 4.786 ) 
     ((attr store1 < 7.923 and attr store1 > 7.863 ) and bondedto
      (attr store1 < 110.072  and attr store1 > 109.272 ))
6 0.1 0.1 peak 844 volume 7.04591 ppm1 7.893 ppm2 4.836
 
! ############### N15_CNnoesy.845 NOT folded
assi (attr store1 < 8.199 and attr store1 > 8.099 ) 
     ((attr store1 < 7.881 and attr store1 > 7.821 ) and bondedto
      (attr store1 < 110.078  and attr store1 > 109.278 ))
6 0.1 0.1 peak 845 volume 38.63452 ppm1 7.851 ppm2 8.149
 
! ############### N15_CNnoesy.846 NOT folded
assi (attr store1 < 8.064 and attr store1 > 7.964 ) 
     ((attr store1 < 7.883 and attr store1 > 7.823 ) and bondedto
      (attr store1 < 110.066  and attr store1 > 109.266 ))
6 0.1 0.1 peak 846 volume 16.25591 ppm1 7.853 ppm2 8.014
 
! ############### N15_CNnoesy.847 NOT folded
assi (attr store1 < 7.902 and attr store1 > 7.802 ) 
     ((attr store1 < 7.882 and attr store1 > 7.822 ) and bondedto
      (attr store1 < 110.076  and attr store1 > 109.276 ))
6 0.1 0.1 peak 847 volume 442.47171 ppm1 7.852 ppm2 7.852
 
! ############### N15_CNnoesy.848 NOT folded
assi (attr store1 < 7.737 and attr store1 > 7.637 ) 
     ((attr store1 < 7.88 and attr store1 > 7.82 ) and bondedto
      (attr store1 < 110.054  and attr store1 > 109.254 ))
6 0.1 0.1 peak 848 volume 15.77295 ppm1 7.850 ppm2 7.687
 
! ############### N15_CNnoesy.849 NOT folded
assi (attr store1 < 7.549 and attr store1 > 7.449 ) 
     ((attr store1 < 7.882 and attr store1 > 7.822 ) and bondedto
      (attr store1 < 110.08  and attr store1 > 109.28 ))
6 0.1 0.1 peak 849 volume 27.67365 ppm1 7.852 ppm2 7.499
 
! ############### N15_CNnoesy.850 NOT folded
assi (attr store1 < 7.242 and attr store1 > 7.142 ) 
     ((attr store1 < 7.881 and attr store1 > 7.821 ) and bondedto
      (attr store1 < 110.043  and attr store1 > 109.243 ))
6 0.1 0.1 peak 850 volume 6.38493 ppm1 7.851 ppm2 7.192
 
! ############### N15_CNnoesy.851 NOT folded
assi (attr store1 < 4.888 and attr store1 > 4.788 ) 
     ((attr store1 < 7.883 and attr store1 > 7.823 ) and bondedto
      (attr store1 < 110.087  and attr store1 > 109.287 ))
6 0.1 0.1 peak 851 volume 33.01551 ppm1 7.853 ppm2 4.838
 
! ############### N15_CNnoesy.852 NOT folded
assi (attr store1 < 3.996 and attr store1 > 3.896 ) 
     ((attr store1 < 7.881 and attr store1 > 7.821 ) and bondedto
      (attr store1 < 110.081  and attr store1 > 109.281 ))
6 0.1 0.1 peak 852 volume 35.96651 ppm1 7.851 ppm2 3.946
 
! ############### N15_CNnoesy.853 NOT folded
assi (attr store1 < 2.753 and attr store1 > 2.653 ) 
     ((attr store1 < 7.882 and attr store1 > 7.822 ) and bondedto
      (attr store1 < 110.085  and attr store1 > 109.285 ))
6 0.1 0.1 peak 853 volume 40.11128 ppm1 7.852 ppm2 2.703
 
! ############### N15_CNnoesy.854 NOT folded
assi (attr store1 < 2.633 and attr store1 > 2.533 ) 
     ((attr store1 < 7.881 and attr store1 > 7.821 ) and bondedto
      (attr store1 < 110.085  and attr store1 > 109.285 ))
6 0.1 0.1 peak 854 volume 25.77440 ppm1 7.851 ppm2 2.583
 
! ############### N15_CNnoesy.855 NOT folded
assi (attr store1 < 2.298 and attr store1 > 2.198 ) 
     ((attr store1 < 7.882 and attr store1 > 7.822 ) and bondedto
      (attr store1 < 110.065  and attr store1 > 109.265 ))
6 0.1 0.1 peak 855 volume 6.08851 ppm1 7.852 ppm2 2.248
 
! ############### N15_CNnoesy.856 NOT folded
assi (attr store1 < 1.428 and attr store1 > 1.328 ) 
     ((attr store1 < 7.882 and attr store1 > 7.822 ) and bondedto
      (attr store1 < 110.078  and attr store1 > 109.278 ))
6 0.1 0.1 peak 856 volume 59.11446 ppm1 7.852 ppm2 1.378
 
! ############### N15_CNnoesy.857 NOT folded
assi (attr store1 < 0.906 and attr store1 > 0.806 ) 
     ((attr store1 < 7.882 and attr store1 > 7.822 ) and bondedto
      (attr store1 < 110.075  and attr store1 > 109.275 ))
6 0.1 0.1 peak 857 volume 6.68576 ppm1 7.852 ppm2 0.856
 
! ############### N15_CNnoesy.858 NOT folded
assi (attr store1 < 0.821 and attr store1 > 0.721 ) 
     ((attr store1 < 7.881 and attr store1 > 7.821 ) and bondedto
      (attr store1 < 110.066  and attr store1 > 109.266 ))
6 0.1 0.1 peak 858 volume 7.71464 ppm1 7.851 ppm2 0.771
 
! ############### N15_CNnoesy.859 NOT folded
assi (attr store1 < 8.166 and attr store1 > 8.066 ) 
     ((attr store1 < 7.984 and attr store1 > 7.924 ) and bondedto
      (attr store1 < 109.93  and attr store1 > 109.13 ))
6 0.1 0.1 peak 859 volume 6.07860 ppm1 7.954 ppm2 8.116
 
! ############### N15_CNnoesy.860 NOT folded
assi (attr store1 < 6.561 and attr store1 > 6.461 ) 
     ((attr store1 < 7.986 and attr store1 > 7.926 ) and bondedto
      (attr store1 < 109.906  and attr store1 > 109.106 ))
6 0.1 0.1 peak 860 volume 108.65874 ppm1 7.956 ppm2 6.511
 
! ############### N15_CNnoesy.861 NOT folded
assi (attr store1 < 4.592 and attr store1 > 4.492 ) 
     ((attr store1 < 7.986 and attr store1 > 7.926 ) and bondedto
      (attr store1 < 109.911  and attr store1 > 109.111 ))
6 0.1 0.1 peak 861 volume 15.03288 ppm1 7.956 ppm2 4.542
 
! ############### N15_CNnoesy.862 NOT folded
assi (attr store1 < 1.096 and attr store1 > 0.996 ) 
     ((attr store1 < 7.985 and attr store1 > 7.925 ) and bondedto
      (attr store1 < 109.907  and attr store1 > 109.107 ))
6 0.1 0.1 peak 862 volume 20.32144 ppm1 7.955 ppm2 1.046
 
! ############### N15_CNnoesy.863 NOT folded
assi (attr store1 < 8.006 and attr store1 > 7.906 ) 
     ((attr store1 < 6.54 and attr store1 > 6.48 ) and bondedto
      (attr store1 < 109.904  and attr store1 > 109.104 ))
6 0.1 0.1 peak 863 volume 95.33021 ppm1 6.510 ppm2 7.956
 
! ############### N15_CNnoesy.864 NOT folded
assi (attr store1 < 6.396 and attr store1 > 6.296 ) 
     ((attr store1 < 6.539 and attr store1 > 6.479 ) and bondedto
      (attr store1 < 109.922  and attr store1 > 109.122 ))
6 0.1 0.1 peak 864 volume 5.61271 ppm1 6.509 ppm2 6.346
 
! ############### N15_CNnoesy.865 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 6.539 and attr store1 > 6.479 ) and bondedto
      (attr store1 < 109.91  and attr store1 > 109.11 ))
6 0.1 0.1 peak 865 volume 22.70691 ppm1 6.509 ppm2 4.839
 
! ############### N15_CNnoesy.866 NOT folded
assi (attr store1 < 3.147 and attr store1 > 3.047 ) 
     ((attr store1 < 6.539 and attr store1 > 6.479 ) and bondedto
      (attr store1 < 109.913  and attr store1 > 109.113 ))
6 0.1 0.1 peak 866 volume 11.21206 ppm1 6.509 ppm2 3.097
 
! ############### N15_CNnoesy.867 NOT folded
assi (attr store1 < 2.952 and attr store1 > 2.852 ) 
     ((attr store1 < 6.541 and attr store1 > 6.481 ) and bondedto
      (attr store1 < 109.943  and attr store1 > 109.143 ))
6 0.1 0.1 peak 867 volume 10.82717 ppm1 6.511 ppm2 2.902
 
! ############### N15_CNnoesy.868 NOT folded
assi (attr store1 < 1.465 and attr store1 > 1.365 ) 
     ((attr store1 < 6.539 and attr store1 > 6.479 ) and bondedto
      (attr store1 < 109.889  and attr store1 > 109.089 ))
6 0.1 0.1 peak 868 volume 13.29548 ppm1 6.509 ppm2 1.415
 
! ############### N15_CNnoesy.869 NOT folded
assi (attr store1 < 1.096 and attr store1 > 0.996 ) 
     ((attr store1 < 6.54 and attr store1 > 6.48 ) and bondedto
      (attr store1 < 109.915  and attr store1 > 109.115 ))
6 0.1 0.1 peak 869 volume 17.04912 ppm1 6.510 ppm2 1.046
 
! ############### N15_CNnoesy.870 NOT folded
assi (attr store1 < 8.004 and attr store1 > 7.904 ) 
     ((attr store1 < 7.986 and attr store1 > 7.926 ) and bondedto
      (attr store1 < 109.863  and attr store1 > 109.063 ))
6 0.1 0.1 peak 870 volume 131.22289 ppm1 7.956 ppm2 7.954
 
! ############### N15_CNnoesy.871 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.984 and attr store1 > 7.924 ) and bondedto
      (attr store1 < 109.872  and attr store1 > 109.072 ))
6 0.1 0.1 peak 871 volume 27.48491 ppm1 7.954 ppm2 4.839
 
! ############### N15_CNnoesy.872 NOT folded
assi (attr store1 < 3.15 and attr store1 > 3.05 ) 
     ((attr store1 < 7.985 and attr store1 > 7.925 ) and bondedto
      (attr store1 < 109.872  and attr store1 > 109.072 ))
6 0.1 0.1 peak 872 volume 18.19021 ppm1 7.955 ppm2 3.100
 
! ############### N15_CNnoesy.873 NOT folded
assi (attr store1 < 2.953 and attr store1 > 2.853 ) 
     ((attr store1 < 7.984 and attr store1 > 7.924 ) and bondedto
      (attr store1 < 109.871  and attr store1 > 109.071 ))
6 0.1 0.1 peak 873 volume 20.77392 ppm1 7.954 ppm2 2.903
 
! ############### N15_CNnoesy.874 NOT folded
assi (attr store1 < 1.787 and attr store1 > 1.687 ) 
     ((attr store1 < 7.984 and attr store1 > 7.924 ) and bondedto
      (attr store1 < 109.884  and attr store1 > 109.084 ))
6 0.1 0.1 peak 874 volume 9.52732 ppm1 7.954 ppm2 1.737
 
! ############### N15_CNnoesy.875 NOT folded
assi (attr store1 < 1.46 and attr store1 > 1.36 ) 
     ((attr store1 < 7.987 and attr store1 > 7.927 ) and bondedto
      (attr store1 < 109.878  and attr store1 > 109.078 ))
6 0.1 0.1 peak 875 volume 10.96487 ppm1 7.957 ppm2 1.410
 
! ############### N15_CNnoesy.876 NOT folded
assi (attr store1 < 1.768 and attr store1 > 1.668 ) 
     ((attr store1 < 6.543 and attr store1 > 6.483 ) and bondedto
      (attr store1 < 109.847  and attr store1 > 109.047 ))
6 0.1 0.1 peak 876 volume 7.72977 ppm1 6.513 ppm2 1.718
 
! ############### N15_CNnoesy.877 NOT folded
assi (attr store1 < 6.561 and attr store1 > 6.461 ) 
     ((attr store1 < 6.54 and attr store1 > 6.48 ) and bondedto
      (attr store1 < 109.887  and attr store1 > 109.087 ))
6 0.1 0.1 peak 877 volume 116.84773 ppm1 6.510 ppm2 6.511
 
! ############### N15_CNnoesy.878 NOT folded
assi (attr store1 < 4.594 and attr store1 > 4.494 ) 
     ((attr store1 < 6.539 and attr store1 > 6.479 ) and bondedto
      (attr store1 < 109.869  and attr store1 > 109.069 ))
6 0.1 0.1 peak 878 volume 18.39942 ppm1 6.509 ppm2 4.544
 
! ############### N15_CNnoesy.879 NOT folded
assi (attr store1 < 4.886 and attr store1 > 4.786 ) 
     ((attr store1 < 7.98 and attr store1 > 7.92 ) and bondedto
      (attr store1 < 108.715  and attr store1 > 107.915 ))
6 0.1 0.1 peak 879 volume 10.66704 ppm1 7.950 ppm2 4.836
 
! ############### N15_CNnoesy.880 NOT folded
assi (attr store1 < 8.266 and attr store1 > 8.166 ) 
     ((attr store1 < 7.985 and attr store1 > 7.925 ) and bondedto
      (attr store1 < 107.628  and attr store1 > 106.828 ))
6 0.1 0.1 peak 880 volume 15.90678 ppm1 7.955 ppm2 8.216
 
! ############### N15_CNnoesy.881 NOT folded
assi (attr store1 < 4.029 and attr store1 > 3.929 ) 
     ((attr store1 < 7.983 and attr store1 > 7.923 ) and bondedto
      (attr store1 < 107.624  and attr store1 > 106.824 ))
6 0.1 0.1 peak 881 volume 30.61921 ppm1 7.953 ppm2 3.979
 
! ############### N15_CNnoesy.882 NOT folded
assi (attr store1 < 1.837 and attr store1 > 1.737 ) 
     ((attr store1 < 7.983 and attr store1 > 7.923 ) and bondedto
      (attr store1 < 107.669  and attr store1 > 106.869 ))
6 0.1 0.1 peak 882 volume 14.03648 ppm1 7.953 ppm2 1.787
 
! ############### N15_CNnoesy.883 NOT folded
assi (attr store1 < 7.998 and attr store1 > 7.898 ) 
     ((attr store1 < 7.982 and attr store1 > 7.922 ) and bondedto
      (attr store1 < 107.495  and attr store1 > 106.695 ))
6 0.1 0.1 peak 883 volume 49.36700 ppm1 7.952 ppm2 7.948
 
! ############### N15_CNnoesy.884 NOT folded
assi (attr store1 < 4.889 and attr store1 > 4.789 ) 
     ((attr store1 < 7.983 and attr store1 > 7.923 ) and bondedto
      (attr store1 < 107.367  and attr store1 > 106.567 ))
6 0.1 0.1 peak 884 volume 210.83174 ppm1 7.953 ppm2 4.839
 
! ############### N15_CNnoesy.885 NOT folded
assi (attr store1 < 7.861 and attr store1 > 7.761 ) 
     ((attr store1 < 7.979 and attr store1 > 7.919 ) and bondedto
      (attr store1 < 107.186  and attr store1 > 106.386 ))
6 0.1 0.1 peak 885 volume 7.49195 ppm1 7.949 ppm2 7.811
 
! ############### N15_CNnoesy.886 NOT folded
assi (attr store1 < 4.404 and attr store1 > 4.304 ) 
     ((attr store1 < 7.982 and attr store1 > 7.922 ) and bondedto
      (attr store1 < 107.199  and attr store1 > 106.399 ))
6 0.1 0.1 peak 886 volume 17.67146 ppm1 7.952 ppm2 4.354
 
! ############### N15_CNnoesy.887 folded
! ############### N15_CNnoesy.888 folded
! ############### N15_CNnoesy.889 folded
! ############### N15_CNnoesy.890 folded
! ############### N15_CNnoesy.891 folded
! ############### N15_CNnoesy.892 folded
! ############### N15_CNnoesy.893 NOT folded
assi (attr store1 < 4.339 and attr store1 > 4.239 ) 
     ((attr store1 < 7.727 and attr store1 > 7.667 ) and bondedto
      (attr store1 < 120.705  and attr store1 > 119.905 ))
6 0.1 0.1 peak 893 volume 26.39029 ppm1 7.697 ppm2 4.289
 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ALA 242           HA       ALA 242   4.586   5.305 -48.865
    2   1HB   ALA 242          1HB       ALA 242   3.730   7.489 -48.580
    3   2HB   ALA 242          2HB       ALA 242   2.701   6.718 -49.786
    4   3HB   ALA 242          3HB       ALA 242   3.934   7.872 -50.289
    5    H    GLN 243           H        GLN 243   5.131   3.498 -50.127
    6    HA   GLN 243           HA       GLN 243   4.639   3.603 -52.987
    7   1HB   GLN 243          1HB       GLN 243   6.593   2.372 -52.239
    8   2HB   GLN 243          2HB       GLN 243   5.596   1.353 -51.210
    9   1HG   GLN 243          1HG       GLN 243   5.881  -0.029 -52.993
   10   2HG   GLN 243          2HG       GLN 243   4.399   0.791 -53.478
   11   1HE2  GLN 243          1HE2      GLN 243   7.899   0.803 -53.860
   12   2HE2  GLN 243          2HE2      GLN 243   7.909   1.502 -55.439
   13    HA   PRO 244           HA       PRO 244   1.181   0.545 -51.747
   14   1HB   PRO 244          1HB       PRO 244   0.641   0.026 -49.174
   15   2HB   PRO 244          2HB       PRO 244   1.952  -0.800 -50.025
   16   1HG   PRO 244          1HG       PRO 244   2.085   1.511 -48.129
   17   2HG   PRO 244          2HG       PRO 244   3.134   0.085 -48.231
   18   1HD   PRO 244          1HD       PRO 244   3.768   2.537 -49.290
   19   2HD   PRO 244          2HD       PRO 244   4.415   0.998 -49.889
   20    H    SER 245           H        SER 245  -0.167   1.230 -48.864
   21    HA   SER 245           HA       SER 245  -1.897   2.522 -48.173
   22   1HB   SER 245          1HB       SER 245   0.138   4.242 -48.649
   23   2HB   SER 245          2HB       SER 245  -1.079   4.890 -49.750
   24    HG   SER 245           HG       SER 245  -2.523   4.899 -47.911
   25    H    SER 246           H        SER 246  -3.498   1.392 -49.280
   26    HA   SER 246           HA       SER 246  -4.461   2.690 -51.744
   27   1HB   SER 246          1HB       SER 246  -5.270  -0.108 -51.093
   28   2HB   SER 246          2HB       SER 246  -5.031   0.656 -52.664
   29    HG   SER 246           HG       SER 246  -3.152  -0.268 -52.631
   30    H    GLN 247           H        GLN 247  -6.535   3.382 -51.801
   31    HA   GLN 247           HA       GLN 247  -7.994   3.412 -49.307
   32   1HB   GLN 247          1HB       GLN 247  -8.530   4.661 -52.003
   33   2HB   GLN 247          2HB       GLN 247  -9.607   4.837 -50.625
   34   1HG   GLN 247          1HG       GLN 247  -8.279   6.332 -49.611
   35   2HG   GLN 247          2HG       GLN 247  -6.800   5.504 -50.094
   36   1HE2  GLN 247          1HE2      GLN 247  -5.718   7.291 -50.791
   37   2HE2  GLN 247          2HE2      GLN 247  -6.185   8.211 -52.177
   38    H    LYS 248           H        LYS 248  -8.033   0.893 -49.711
   39    HA   LYS 248           HA       LYS 248 -10.673   0.296 -50.861
   40   1HB   LYS 248          1HB       LYS 248  -8.203  -1.436 -51.055
   41   2HB   LYS 248          2HB       LYS 248  -9.811  -1.897 -51.596
   42   1HG   LYS 248          1HG       LYS 248  -9.792  -0.308 -53.336
   43   2HG   LYS 248          2HG       LYS 248  -8.377   0.510 -52.672
   44   1HD   LYS 248          1HD       LYS 248  -7.365  -0.710 -54.316
   45   2HD   LYS 248          2HD       LYS 248  -7.293  -1.885 -53.002
   46   1HE   LYS 248          1HE       LYS 248  -8.096  -3.104 -54.828
   47   2HE   LYS 248          2HE       LYS 248  -9.537  -2.736 -53.880
   48   1HZ   LYS 248          1HZ       LYS 248 -10.384  -1.876 -55.724
   49   2HZ   LYS 248          2HZ       LYS 248  -8.916  -2.006 -56.553
   50   3HZ   LYS 248          3HZ       LYS 248  -9.243  -0.630 -55.627
   51    H    ALA 249           H        ALA 249 -10.693  -2.426 -50.145
   52    HA   ALA 249           HA       ALA 249 -11.510  -2.236 -47.432
   53   1HB   ALA 249          1HB       ALA 249 -12.220  -4.456 -47.630
   54   2HB   ALA 249          2HB       ALA 249 -11.022  -4.824 -48.872
   55   3HB   ALA 249          3HB       ALA 249 -12.403  -3.795 -49.256
   56    H    THR 250           H        THR 250  -9.953  -1.826 -45.957
   57    HA   THR 250           HA       THR 250  -8.167  -3.916 -45.216
   58    HB   THR 250           HB       THR 250  -6.758  -3.103 -46.978
   59    HG1  THR 250           HG1      THR 250  -5.349  -1.768 -45.093
   60   1HG2  THR 250          1HG2      THR 250  -7.955  -0.792 -46.935
   61   2HG2  THR 250          2HG2      THR 250  -6.266  -0.882 -47.431
   62   3HG2  THR 250          3HG2      THR 250  -6.678  -0.352 -45.802
   63    H    ASN 251           H        ASN 251  -6.681  -3.134 -43.375
   64    HA   ASN 251           HA       ASN 251  -8.252  -2.030 -41.346
   65   1HB   ASN 251          1HB       ASN 251  -5.630  -3.125 -41.589
   66   2HB   ASN 251          2HB       ASN 251  -5.509  -1.608 -40.702
   67   1HD2  ASN 251          1HD2      ASN 251  -5.250  -4.474 -39.904
   68   2HD2  ASN 251          2HD2      ASN 251  -6.317  -4.653 -38.556
   69    H    HIS 252           H        HIS 252  -7.375  -0.095 -39.982
   70    HA   HIS 252           HA       HIS 252  -6.788   2.150 -41.796
   71   1HB   HIS 252          1HB       HIS 252  -9.218   1.761 -40.642
   72   2HB   HIS 252          2HB       HIS 252  -8.433   2.769 -39.430
   73    HD1  HIS 252           HD1      HIS 252  -9.602   2.825 -42.998
   74    HD2  HIS 252           HD2      HIS 252  -8.084   5.427 -40.137
   75    HE1  HIS 252           HE1      HIS 252  -9.916   5.131 -43.953
   76    HE2  HIS 252           HE2      HIS 252  -9.102   6.692 -42.152
   77    H    ASN 253           H        ASN 253  -6.168   0.594 -38.772
   78    HA   ASN 253           HA       ASN 253  -4.620   2.884 -37.811
   79   1HB   ASN 253          1HB       ASN 253  -5.764   0.446 -36.513
   80   2HB   ASN 253          2HB       ASN 253  -4.373   1.232 -35.773
   81   1HD2  ASN 253          1HD2      ASN 253  -6.895   2.874 -37.565
   82   2HD2  ASN 253          2HD2      ASN 253  -7.545   3.745 -36.223
   83    H    LEU 254           H        LEU 254  -3.958  -0.551 -37.303
   84    HA   LEU 254           HA       LEU 254  -2.130  -1.813 -37.507
   85   1HB   LEU 254          1HB       LEU 254  -1.503  -0.008 -39.811
   86   2HB   LEU 254          2HB       LEU 254  -0.929  -1.636 -39.550
   87    HG   LEU 254           HG       LEU 254  -3.842  -1.413 -39.635
   88   1HD1  LEU 254          1HD1      LEU 254  -2.182  -0.272 -41.777
   89   2HD1  LEU 254          2HD1      LEU 254  -3.878   0.007 -41.378
   90   3HD1  LEU 254          3HD1      LEU 254  -3.411  -1.422 -42.300
   91   1HD2  LEU 254          1HD2      LEU 254  -2.991  -3.207 -41.538
   92   2HD2  LEU 254          2HD2      LEU 254  -3.384  -3.587 -39.860
   93   3HD2  LEU 254          3HD2      LEU 254  -1.713  -3.273 -40.325
   94    H    HIS 255           H        HIS 255  -1.923   1.356 -36.623
   95    HA   HIS 255           HA       HIS 255   0.982   1.457 -36.433
   96   1HB   HIS 255          1HB       HIS 255  -0.098   3.511 -37.099
   97   2HB   HIS 255          2HB       HIS 255  -1.175   3.450 -35.707
   98    HD1  HIS 255           HD1      HIS 255   2.622   3.372 -36.089
   99    HD2  HIS 255           HD2      HIS 255  -0.357   5.284 -33.908
  100    HE1  HIS 255           HE1      HIS 255   3.826   4.942 -34.538
  101    HE2  HIS 255           HE2      HIS 255   2.007   6.050 -33.191
  102    H    ILE 256           H        ILE 256  -1.788   1.788 -34.220
  103    HA   ILE 256           HA       ILE 256  -0.265   1.624 -31.852
  104    HB   ILE 256           HB       ILE 256  -3.163   0.836 -32.116
  105   1HG1  ILE 256          1HG1      ILE 256  -2.865   2.988 -33.225
  106   2HG1  ILE 256          2HG1      ILE 256  -3.699   3.213 -31.692
  107   1HG2  ILE 256          1HG2      ILE 256  -2.328   0.328 -29.963
  108   2HG2  ILE 256          2HG2      ILE 256  -3.235   1.831 -29.802
  109   3HG2  ILE 256          3HG2      ILE 256  -1.473   1.866 -29.852
  110   1HD1  ILE 256          1HD1      ILE 256  -1.314   4.436 -32.627
  111   2HD1  ILE 256          2HD1      ILE 256  -0.935   3.487 -31.189
  112   3HD1  ILE 256          3HD1      ILE 256  -2.192   4.723 -31.125
  113    H    THR 257           H        THR 257  -1.649  -0.803 -33.943
  114    HA   THR 257           HA       THR 257  -1.472  -2.967 -32.092
  115    HB   THR 257           HB       THR 257  -1.899  -4.424 -33.971
  116    HG1  THR 257           HG1      THR 257  -0.879  -3.830 -35.742
  117   1HG2  THR 257          1HG2      THR 257  -3.598  -2.464 -33.135
  118   2HG2  THR 257          2HG2      THR 257  -4.037  -3.770 -34.234
  119   3HG2  THR 257          3HG2      THR 257  -3.577  -2.193 -34.877
  120    H    GLU 258           H        GLU 258   0.525  -1.969 -34.865
  121    HA   GLU 258           HA       GLU 258   2.483  -3.942 -34.586
  122   1HB   GLU 258          1HB       GLU 258   3.668  -2.835 -36.225
  123   2HB   GLU 258          2HB       GLU 258   2.031  -2.261 -36.517
  124   1HG   GLU 258          1HG       GLU 258   2.637  -0.172 -36.163
  125   2HG   GLU 258          2HG       GLU 258   3.311  -0.615 -34.596
  126    H    LYS 259           H        LYS 259   2.088  -0.864 -32.985
  127    HA   LYS 259           HA       LYS 259   4.693  -0.842 -31.803
  128   1HB   LYS 259          1HB       LYS 259   4.036   1.309 -31.818
  129   2HB   LYS 259          2HB       LYS 259   2.337   0.878 -31.965
  130   1HG   LYS 259          1HG       LYS 259   2.410   1.951 -29.932
  131   2HG   LYS 259          2HG       LYS 259   2.539   0.239 -29.505
  132   1HD   LYS 259          1HD       LYS 259   4.267   1.059 -28.255
  133   2HD   LYS 259          2HD       LYS 259   5.101   0.716 -29.775
  134   1HE   LYS 259          1HE       LYS 259   4.911   3.029 -30.446
  135   2HE   LYS 259          2HE       LYS 259   3.961   3.402 -29.008
  136   1HZ   LYS 259          1HZ       LYS 259   5.783   3.454 -27.712
  137   2HZ   LYS 259          2HZ       LYS 259   6.585   3.771 -29.166
  138   3HZ   LYS 259          3HZ       LYS 259   6.563   2.202 -28.538
  139    H    LEU 260           H        LEU 260   1.396  -1.657 -30.747
  140    HA   LEU 260           HA       LEU 260   1.940  -2.107 -28.057
  141   1HB   LEU 260          1HB       LEU 260  -0.199  -2.647 -29.862
  142   2HB   LEU 260          2HB       LEU 260   0.115  -4.108 -28.943
  143    HG   LEU 260           HG       LEU 260   0.000  -1.672 -27.308
  144   1HD1  LEU 260          1HD1      LEU 260  -2.505  -1.636 -27.392
  145   2HD1  LEU 260          2HD1      LEU 260  -2.401  -2.602 -28.866
  146   3HD1  LEU 260          3HD1      LEU 260  -1.699  -0.984 -28.819
  147   1HD2  LEU 260          1HD2      LEU 260  -1.514  -4.268 -27.104
  148   2HD2  LEU 260          2HD2      LEU 260  -1.206  -3.092 -25.824
  149   3HD2  LEU 260          3HD2      LEU 260   0.125  -4.038 -26.493
  150    H    GLU 261           H        GLU 261   2.876  -3.847 -30.852
  151    HA   GLU 261           HA       GLU 261   3.509  -6.304 -29.500
  152   1HB   GLU 261          1HB       GLU 261   3.833  -5.226 -32.283
  153   2HB   GLU 261          2HB       GLU 261   4.636  -6.703 -31.796
  154   1HG   GLU 261          1HG       GLU 261   2.448  -7.658 -31.185
  155   2HG   GLU 261          2HG       GLU 261   1.677  -6.189 -31.778
  156    H    VAL 262           H        VAL 262   5.226  -3.452 -30.750
  157    HA   VAL 262           HA       VAL 262   7.826  -4.325 -30.456
  158    HB   VAL 262           HB       VAL 262   8.442  -2.141 -30.751
  159   1HG1  VAL 262          1HG1      VAL 262   6.250  -3.023 -32.192
  160   2HG1  VAL 262          2HG1      VAL 262   7.468  -1.844 -32.684
  161   3HG1  VAL 262          3HG1      VAL 262   5.991  -1.305 -31.886
  162   1HG2  VAL 262          1HG2      VAL 262   7.001  -0.163 -30.195
  163   2HG2  VAL 262          2HG2      VAL 262   7.681  -1.040 -28.826
  164   3HG2  VAL 262          3HG2      VAL 262   5.998  -1.286 -29.282
  165    H    LEU 263           H        LEU 263   5.743  -2.640 -28.160
  166    HA   LEU 263           HA       LEU 263   7.638  -2.578 -26.046
  167   1HB   LEU 263          1HB       LEU 263   4.893  -1.765 -26.489
  168   2HB   LEU 263          2HB       LEU 263   5.086  -2.492 -24.905
  169    HG   LEU 263           HG       LEU 263   7.001  -0.880 -24.522
  170   1HD1  LEU 263          1HD1      LEU 263   7.410  -0.316 -26.868
  171   2HD1  LEU 263          2HD1      LEU 263   7.069   1.120 -25.902
  172   3HD1  LEU 263          3HD1      LEU 263   5.823   0.452 -26.957
  173   1HD2  LEU 263          1HD2      LEU 263   4.131  -0.118 -24.785
  174   2HD2  LEU 263          2HD2      LEU 263   5.317   1.112 -24.345
  175   3HD2  LEU 263          3HD2      LEU 263   5.116  -0.320 -23.335
  176    H    ALA 264           H        ALA 264   5.088  -4.801 -27.009
  177    HA   ALA 264           HA       ALA 264   5.011  -6.412 -24.720
  178   1HB   ALA 264          1HB       ALA 264   3.464  -7.499 -25.894
  179   2HB   ALA 264          2HB       ALA 264   4.641  -7.963 -27.121
  180   3HB   ALA 264          3HB       ALA 264   3.809  -6.413 -27.240
  181    H    LYS 265           H        LYS 265   7.135  -6.420 -27.521
  182    HA   LYS 265           HA       LYS 265   8.465  -8.857 -26.902
  183   1HB   LYS 265          1HB       LYS 265   8.563  -8.066 -29.156
  184   2HB   LYS 265          2HB       LYS 265   9.194  -6.505 -28.650
  185   1HG   LYS 265          1HG       LYS 265  10.968  -8.537 -27.739
  186   2HG   LYS 265          2HG       LYS 265  10.627  -8.800 -29.450
  187   1HD   LYS 265          1HD       LYS 265  12.186  -7.249 -29.848
  188   2HD   LYS 265          2HD       LYS 265  10.993  -6.073 -29.291
  189   1HE   LYS 265          1HE       LYS 265  11.879  -6.518 -26.949
  190   2HE   LYS 265          2HE       LYS 265  13.223  -7.351 -27.731
  191   1HZ   LYS 265          1HZ       LYS 265  13.967  -5.390 -28.704
  192   2HZ   LYS 265          2HZ       LYS 265  13.515  -4.901 -27.150
  193   3HZ   LYS 265          3HZ       LYS 265  12.499  -4.581 -28.464
  194    H    ALA 266           H        ALA 266   8.910  -5.510 -26.004
  195    HA   ALA 266           HA       ALA 266  11.518  -5.651 -24.974
  196   1HB   ALA 266          1HB       ALA 266   9.258  -3.793 -24.807
  197   2HB   ALA 266          2HB       ALA 266  10.977  -3.474 -25.033
  198   3HB   ALA 266          3HB       ALA 266  10.339  -3.757 -23.414
  199    H    TYR 267           H        TYR 267   8.363  -6.136 -23.420
  200    HA   TYR 267           HA       TYR 267   9.389  -6.617 -20.824
  201   1HB   TYR 267          1HB       TYR 267   6.770  -7.447 -22.092
  202   2HB   TYR 267          2HB       TYR 267   7.140  -7.607 -20.380
  203    HD1  TYR 267           HD1      TYR 267   5.449  -5.652 -22.654
  204    HD2  TYR 267           HD2      TYR 267   8.116  -5.266 -19.361
  205    HE1  TYR 267           HE1      TYR 267   4.636  -3.363 -22.273
  206    HE2  TYR 267           HE2      TYR 267   7.311  -2.974 -18.970
  207    HH   TYR 267           HH       TYR 267   5.558  -1.238 -21.190
  208    H    SER 268           H        SER 268   8.427  -8.764 -23.474
  209    HA   SER 268           HA       SER 268   8.758 -11.215 -22.224
  210   1HB   SER 268          1HB       SER 268   7.865 -11.555 -24.295
  211   2HB   SER 268          2HB       SER 268   8.801 -10.250 -25.025
  212    HG   SER 268           HG       SER 268   9.318 -12.904 -24.961
  213    H    VAL 269           H        VAL 269  11.157  -9.042 -23.585
  214    HA   VAL 269           HA       VAL 269  13.330 -10.908 -23.390
  215    HB   VAL 269           HB       VAL 269  13.305  -7.907 -23.754
  216   1HG1  VAL 269          1HG1      VAL 269  15.632  -9.824 -23.877
  217   2HG1  VAL 269          2HG1      VAL 269  15.383  -8.548 -22.685
  218   3HG1  VAL 269          3HG1      VAL 269  15.679  -8.132 -24.372
  219   1HG2  VAL 269          1HG2      VAL 269  12.728  -9.991 -25.521
  220   2HG2  VAL 269          2HG2      VAL 269  14.361  -9.467 -25.933
  221   3HG2  VAL 269          3HG2      VAL 269  13.036  -8.302 -25.925
  222    H    GLN 270           H        GLN 270  12.086  -8.258 -21.414
  223    HA   GLN 270           HA       GLN 270  14.186  -8.316 -19.498
  224   1HB   GLN 270          1HB       GLN 270  11.517  -7.032 -19.722
  225   2HB   GLN 270          2HB       GLN 270  12.185  -7.202 -18.106
  226   1HG   GLN 270          1HG       GLN 270  14.206  -6.205 -19.840
  227   2HG   GLN 270          2HG       GLN 270  12.750  -5.231 -20.031
  228   1HE2  GLN 270          1HE2      GLN 270  11.790  -4.353 -18.073
  229   2HE2  GLN 270          2HE2      GLN 270  12.816  -3.929 -16.751
  230    H    GLY 271           H        GLY 271  11.585 -10.395 -20.105
  231   1HA   GLY 271          1HA       GLY 271  11.282 -12.466 -19.026
  232   2HA   GLY 271          2HA       GLY 271  12.149 -11.841 -17.631
  233    H    ASP 272           H        ASP 272   9.418 -10.341 -19.299
  234    HA   ASP 272           HA       ASP 272   7.924 -10.449 -16.772
  235   1HB   ASP 272          1HB       ASP 272   8.393  -8.367 -18.652
  236   2HB   ASP 272          2HB       ASP 272   6.672  -8.741 -18.694
  237    H    LYS 273           H        LYS 273   7.153 -12.582 -17.070
  238    HA   LYS 273           HA       LYS 273   5.754 -13.430 -19.379
  239   1HB   LYS 273          1HB       LYS 273   4.881 -15.240 -17.837
  240   2HB   LYS 273          2HB       LYS 273   6.632 -15.118 -17.964
  241   1HG   LYS 273          1HG       LYS 273   5.877 -13.456 -15.827
  242   2HG   LYS 273          2HG       LYS 273   4.966 -14.956 -15.645
  243   1HD   LYS 273          1HD       LYS 273   7.027 -15.223 -14.477
  244   2HD   LYS 273          2HD       LYS 273   7.129 -16.195 -15.945
  245   1HE   LYS 273          1HE       LYS 273   8.977 -15.111 -16.526
  246   2HE   LYS 273          2HE       LYS 273   8.077 -13.596 -16.551
  247   1HZ   LYS 273          1HZ       LYS 273   9.041 -14.672 -13.990
  248   2HZ   LYS 273          2HZ       LYS 273   8.730 -13.067 -14.426
  249   3HZ   LYS 273          3HZ       LYS 273  10.115 -13.848 -15.003
  250    H    TRP 274           H        TRP 274   4.710 -11.984 -16.331
  251    HA   TRP 274           HA       TRP 274   1.927 -12.258 -16.813
  252   1HB   TRP 274          1HB       TRP 274   3.631 -10.917 -14.845
  253   2HB   TRP 274          2HB       TRP 274   2.073 -10.154 -15.106
  254    HD1  TRP 274           HD1      TRP 274   3.158 -13.870 -14.652
  255    HE1  TRP 274           HE1      TRP 274   1.573 -14.940 -12.928
  256    HE3  TRP 274           HE3      TRP 274   0.236  -9.806 -13.604
  257    HZ2  TRP 274           HZ2      TRP 274  -0.624 -14.161 -11.334
  258    HZ3  TRP 274           HZ3      TRP 274  -1.585 -10.054 -11.967
  259    HH2  TRP 274           HH2      TRP 274  -2.006 -12.187 -10.857
  260    H    ARG 275           H        ARG 275   4.097  -9.450 -17.011
  261    HA   ARG 275           HA       ARG 275   2.248  -7.617 -17.971
  262   1HB   ARG 275          1HB       ARG 275   5.201  -7.829 -17.955
  263   2HB   ARG 275          2HB       ARG 275   4.510  -6.702 -19.114
  264   1HG   ARG 275          1HG       ARG 275   3.470  -6.545 -16.356
  265   2HG   ARG 275          2HG       ARG 275   5.139  -6.031 -16.606
  266   1HD   ARG 275          1HD       ARG 275   4.497  -4.143 -17.602
  267   2HD   ARG 275          2HD       ARG 275   3.379  -5.001 -18.660
  268    HE   ARG 275           HE       ARG 275   1.664  -4.441 -17.249
  269   1HH1  ARG 275          1HH1      ARG 275   4.700  -3.883 -15.633
  270   2HH1  ARG 275          2HH1      ARG 275   3.978  -3.070 -14.283
  271   1HH2  ARG 275          1HH2      ARG 275   0.708  -3.370 -15.479
  272   2HH2  ARG 275          2HH2      ARG 275   1.709  -2.781 -14.195
  273    H    ALA 276           H        ALA 276   4.563  -9.577 -19.837
  274    HA   ALA 276           HA       ALA 276   3.725  -8.723 -22.373
  275   1HB   ALA 276          1HB       ALA 276   4.903 -11.420 -21.745
  276   2HB   ALA 276          2HB       ALA 276   5.852  -9.936 -21.823
  277   3HB   ALA 276          3HB       ALA 276   5.007 -10.520 -23.257
  278    H    LEU 277           H        LEU 277   2.301 -10.934 -20.146
  279    HA   LEU 277           HA       LEU 277   0.798 -12.448 -22.041
  280   1HB   LEU 277          1HB       LEU 277   0.719 -13.701 -20.193
  281   2HB   LEU 277          2HB       LEU 277   1.140 -12.346 -19.167
  282    HG   LEU 277           HG       LEU 277  -1.387 -11.702 -19.486
  283   1HD1  LEU 277          1HD1      LEU 277  -2.395 -13.180 -20.857
  284   2HD1  LEU 277          2HD1      LEU 277  -2.512 -14.148 -19.387
  285   3HD1  LEU 277          3HD1      LEU 277  -1.209 -14.447 -20.538
  286   1HD2  LEU 277          1HD2      LEU 277  -0.371 -13.906 -17.701
  287   2HD2  LEU 277          2HD2      LEU 277  -1.926 -13.098 -17.495
  288   3HD2  LEU 277          3HD2      LEU 277  -0.427 -12.179 -17.345
  289    H    GLY 278           H        GLY 278   0.035  -9.711 -19.906
  290   1HA   GLY 278          1HA       GLY 278  -2.665  -9.482 -20.815
  291   2HA   GLY 278          2HA       GLY 278  -1.787  -8.298 -19.856
  292    H    TYR 279           H        TYR 279   0.384  -8.051 -21.777
  293    HA   TYR 279           HA       TYR 279  -0.717  -5.992 -23.394
  294   1HB   TYR 279          1HB       TYR 279   1.885  -6.902 -22.636
  295   2HB   TYR 279          2HB       TYR 279   1.840  -6.745 -24.389
  296    HD1  TYR 279           HD1      TYR 279   0.158  -4.723 -21.745
  297    HD2  TYR 279           HD2      TYR 279   3.021  -4.803 -24.890
  298    HE1  TYR 279           HE1      TYR 279   0.457  -2.293 -21.526
  299    HE2  TYR 279           HE2      TYR 279   3.329  -2.372 -24.678
  300    HH   TYR 279           HH       TYR 279   2.947  -0.581 -23.305
  301    H    ALA 280           H        ALA 280   0.813  -9.100 -24.256
  302    HA   ALA 280           HA       ALA 280   0.260  -8.984 -26.995
  303   1HB   ALA 280          1HB       ALA 280   0.978 -11.183 -27.114
  304   2HB   ALA 280          2HB       ALA 280   0.307 -11.596 -25.536
  305   3HB   ALA 280          3HB       ALA 280   1.767 -10.613 -25.643
  306    H    LYS 281           H        LYS 281  -1.682 -10.076 -24.281
  307    HA   LYS 281           HA       LYS 281  -3.718 -11.379 -25.705
  308   1HB   LYS 281          1HB       LYS 281  -3.439 -11.495 -23.243
  309   2HB   LYS 281          2HB       LYS 281  -3.965  -9.822 -23.121
  310   1HG   LYS 281          1HG       LYS 281  -5.798 -11.261 -22.568
  311   2HG   LYS 281          2HG       LYS 281  -6.136 -10.476 -24.111
  312   1HD   LYS 281          1HD       LYS 281  -6.758 -12.731 -24.402
  313   2HD   LYS 281          2HD       LYS 281  -5.196 -12.568 -25.208
  314   1HE   LYS 281          1HE       LYS 281  -5.422 -14.625 -23.815
  315   2HE   LYS 281          2HE       LYS 281  -4.062 -13.594 -23.373
  316   1HZ   LYS 281          1HZ       LYS 281  -5.643 -14.550 -21.558
  317   2HZ   LYS 281          2HZ       LYS 281  -6.622 -13.237 -21.980
  318   3HZ   LYS 281          3HZ       LYS 281  -5.048 -12.972 -21.422
  319    H    ALA 282           H        ALA 282  -3.269  -7.993 -24.809
  320    HA   ALA 282           HA       ALA 282  -5.756  -7.050 -25.754
  321   1HB   ALA 282          1HB       ALA 282  -4.053  -4.914 -26.037
  322   2HB   ALA 282          2HB       ALA 282  -3.253  -5.888 -24.802
  323   3HB   ALA 282          3HB       ALA 282  -4.916  -5.350 -24.561
  324    H    ILE 283           H        ILE 283  -2.608  -7.495 -27.270
  325    HA   ILE 283           HA       ILE 283  -3.192  -6.222 -29.721
  326    HB   ILE 283           HB       ILE 283  -1.276  -8.514 -29.274
  327   1HG1  ILE 283          1HG1      ILE 283  -0.535  -5.600 -29.247
  328   2HG1  ILE 283          2HG1      ILE 283  -1.071  -6.406 -27.776
  329   1HG2  ILE 283          1HG2      ILE 283  -1.317  -8.312 -31.548
  330   2HG2  ILE 283          2HG2      ILE 283  -0.098  -7.096 -31.165
  331   3HG2  ILE 283          3HG2      ILE 283  -1.759  -6.604 -31.499
  332   1HD1  ILE 283          1HD1      ILE 283   0.797  -8.142 -28.547
  333   2HD1  ILE 283          2HD1      ILE 283   1.145  -6.735 -27.542
  334   3HD1  ILE 283          3HD1      ILE 283   1.451  -6.676 -29.278
  335    H    ASN 284           H        ASN 284  -3.778  -9.444 -28.487
  336    HA   ASN 284           HA       ASN 284  -4.456 -10.697 -30.917
  337   1HB   ASN 284          1HB       ASN 284  -3.956 -12.012 -28.957
  338   2HB   ASN 284          2HB       ASN 284  -5.303 -11.286 -28.100
  339   1HD2  ASN 284          1HD2      ASN 284  -4.297 -13.889 -29.892
  340   2HD2  ASN 284          2HD2      ASN 284  -5.840 -14.567 -30.276
  341    H    ALA 285           H        ALA 285  -6.243  -8.722 -28.656
  342    HA   ALA 285           HA       ALA 285  -8.833  -9.249 -29.708
  343   1HB   ALA 285          1HB       ALA 285  -8.097  -6.708 -28.299
  344   2HB   ALA 285          2HB       ALA 285  -8.183  -8.239 -27.427
  345   3HB   ALA 285          3HB       ALA 285  -9.612  -7.611 -28.248
  346    H    LEU 286           H        LEU 286  -6.391  -6.767 -30.287
  347    HA   LEU 286           HA       LEU 286  -7.990  -5.262 -32.114
  348   1HB   LEU 286          1HB       LEU 286  -4.994  -5.207 -32.100
  349   2HB   LEU 286          2HB       LEU 286  -6.118  -3.901 -32.422
  350    HG   LEU 286           HG       LEU 286  -5.776  -5.141 -29.696
  351   1HD1  LEU 286          1HD1      LEU 286  -3.658  -4.158 -30.447
  352   2HD1  LEU 286          2HD1      LEU 286  -4.383  -3.237 -29.128
  353   3HD1  LEU 286          3HD1      LEU 286  -4.491  -2.639 -30.784
  354   1HD2  LEU 286          1HD2      LEU 286  -7.701  -4.006 -29.427
  355   2HD2  LEU 286          2HD2      LEU 286  -7.434  -3.006 -30.852
  356   3HD2  LEU 286          3HD2      LEU 286  -6.639  -2.602 -29.331
  357    H    LYS 287           H        LYS 287  -6.142  -8.125 -32.328
  358    HA   LYS 287           HA       LYS 287  -5.359  -8.038 -35.035
  359   1HB   LYS 287          1HB       LYS 287  -5.375  -9.967 -32.883
  360   2HB   LYS 287          2HB       LYS 287  -5.860 -10.724 -34.393
  361   1HG   LYS 287          1HG       LYS 287  -3.800 -10.624 -35.243
  362   2HG   LYS 287          2HG       LYS 287  -3.536  -8.982 -34.653
  363   1HD   LYS 287          1HD       LYS 287  -3.355 -10.135 -32.326
  364   2HD   LYS 287          2HD       LYS 287  -3.053 -11.593 -33.276
  365   1HE   LYS 287          1HE       LYS 287  -1.036 -10.188 -32.506
  366   2HE   LYS 287          2HE       LYS 287  -1.083 -10.747 -34.177
  367   1HZ   LYS 287          1HZ       LYS 287  -0.631  -8.214 -33.448
  368   2HZ   LYS 287          2HZ       LYS 287  -2.300  -8.163 -33.714
  369   3HZ   LYS 287          3HZ       LYS 287  -1.264  -8.666 -34.951
  370    H    SER 288           H        SER 288  -8.405  -8.388 -33.571
  371    HA   SER 288           HA       SER 288  -9.564  -9.405 -36.082
  372   1HB   SER 288          1HB       SER 288  -9.981 -10.908 -34.197
  373   2HB   SER 288          2HB       SER 288 -10.669  -9.577 -33.268
  374    HG   SER 288           HG       SER 288 -12.291 -10.833 -34.260
  375    H    PHE 289           H        PHE 289  -9.165  -6.684 -34.202
  376    HA   PHE 289           HA       PHE 289 -11.715  -5.450 -34.521
  377   1HB   PHE 289          1HB       PHE 289  -9.768  -4.897 -32.861
  378   2HB   PHE 289          2HB       PHE 289  -9.175  -3.890 -34.176
  379    HD1  PHE 289           HD1      PHE 289  -9.386  -1.902 -32.796
  380    HD2  PHE 289           HD2      PHE 289 -12.773  -4.313 -33.714
  381    HE1  PHE 289           HE1      PHE 289 -10.875  -0.082 -32.073
  382    HE2  PHE 289           HE2      PHE 289 -14.266  -2.495 -32.995
  383    HZ   PHE 289           HZ       PHE 289 -13.319  -0.376 -32.173
  384    H    HIS 290           H        HIS 290 -12.557  -4.605 -36.300
  385    HA   HIS 290           HA       HIS 290 -10.854  -4.174 -38.629
  386   1HB   HIS 290          1HB       HIS 290 -12.917  -5.491 -38.901
  387   2HB   HIS 290          2HB       HIS 290 -13.868  -4.109 -38.368
  388    HD1  HIS 290           HD1      HIS 290 -14.975  -3.067 -40.302
  389    HD2  HIS 290           HD2      HIS 290 -11.181  -4.453 -41.277
  390    HE1  HIS 290           HE1      HIS 290 -14.639  -2.458 -42.718
  391    HE2  HIS 290           HE2      HIS 290 -12.314  -3.257 -43.272
  392    H    LYS 291           H        LYS 291 -13.365  -2.407 -36.818
  393    HA   LYS 291           HA       LYS 291 -12.880   0.055 -38.168
  394   1HB   LYS 291          1HB       LYS 291 -14.661  -0.931 -36.075
  395   2HB   LYS 291          2HB       LYS 291 -14.120   0.716 -35.783
  396   1HG   LYS 291          1HG       LYS 291 -14.921   0.331 -38.534
  397   2HG   LYS 291          2HG       LYS 291 -16.213  -0.081 -37.405
  398   1HD   LYS 291          1HD       LYS 291 -15.177   2.255 -36.367
  399   2HD   LYS 291          2HD       LYS 291 -15.108   2.517 -38.111
  400   1HE   LYS 291          1HE       LYS 291 -17.596   1.383 -36.932
  401   2HE   LYS 291          2HE       LYS 291 -17.269   3.102 -36.715
  402   1HZ   LYS 291          1HZ       LYS 291 -17.508   3.523 -38.924
  403   2HZ   LYS 291          2HZ       LYS 291 -18.570   2.213 -38.794
  404   3HZ   LYS 291          3HZ       LYS 291 -17.012   1.979 -39.407
  405    HA   PRO 292           HA       PRO 292  -9.395   1.611 -35.947
  406   1HB   PRO 292          1HB       PRO 292 -10.584   4.301 -36.104
  407   2HB   PRO 292          2HB       PRO 292  -9.091   3.692 -36.821
  408   1HG   PRO 292          1HG       PRO 292 -11.244   4.242 -38.321
  409   2HG   PRO 292          2HG       PRO 292 -10.165   2.886 -38.702
  410   1HD   PRO 292          1HD       PRO 292 -12.837   2.860 -37.343
  411   2HD   PRO 292          2HD       PRO 292 -12.190   1.753 -38.574
  412    H    VAL 293           H        VAL 293  -9.002   3.501 -34.201
  413    HA   VAL 293           HA       VAL 293 -10.947   3.021 -32.038
  414    HB   VAL 293           HB       VAL 293  -8.675   2.003 -31.716
  415   1HG1  VAL 293          1HG1      VAL 293  -6.951   3.767 -30.899
  416   2HG1  VAL 293          2HG1      VAL 293  -7.881   4.878 -31.904
  417   3HG1  VAL 293          3HG1      VAL 293  -7.129   3.457 -32.627
  418   1HG2  VAL 293          1HG2      VAL 293  -8.818   3.989 -29.556
  419   2HG2  VAL 293          2HG2      VAL 293  -8.896   2.228 -29.490
  420   3HG2  VAL 293          3HG2      VAL 293 -10.335   3.159 -29.907
  421    H    THR 294           H        THR 294 -11.347   4.743 -30.554
  422    HA   THR 294           HA       THR 294 -10.456   7.405 -31.404
  423    HB   THR 294           HB       THR 294 -12.531   7.418 -32.466
  424    HG1  THR 294           HG1      THR 294 -12.558   9.234 -31.228
  425   1HG2  THR 294          1HG2      THR 294 -13.996   6.309 -30.100
  426   2HG2  THR 294          2HG2      THR 294 -13.202   5.224 -31.243
  427   3HG2  THR 294          3HG2      THR 294 -14.465   6.320 -31.801
  428    H    SER 295           H        SER 295 -12.062   5.440 -28.932
  429    HA   SER 295           HA       SER 295 -10.885   7.201 -26.900
  430   1HB   SER 295          1HB       SER 295 -13.492   6.077 -26.142
  431   2HB   SER 295          2HB       SER 295 -12.850   7.700 -25.898
  432    HG   SER 295           HG       SER 295 -13.281   8.008 -28.204
  433    H    TYR 296           H        TYR 296 -10.888   6.186 -24.717
  434    HA   TYR 296           HA       TYR 296  -9.674   3.632 -24.831
  435   1HB   TYR 296          1HB       TYR 296  -9.448   3.816 -22.438
  436   2HB   TYR 296          2HB       TYR 296  -9.140   5.398 -23.144
  437    HD1  TYR 296           HD1      TYR 296 -10.488   3.981 -20.393
  438    HD2  TYR 296           HD2      TYR 296 -11.633   6.674 -23.481
  439    HE1  TYR 296           HE1      TYR 296 -12.184   4.958 -18.907
  440    HE2  TYR 296           HE2      TYR 296 -13.332   7.656 -22.007
  441    HH   TYR 296           HH       TYR 296 -13.385   7.297 -18.766
  442    H    GLN 297           H        GLN 297 -12.893   4.726 -23.890
  443    HA   GLN 297           HA       GLN 297 -13.796   2.283 -22.802
  444   1HB   GLN 297          1HB       GLN 297 -14.857   4.597 -22.586
  445   2HB   GLN 297          2HB       GLN 297 -15.549   4.313 -24.178
  446   1HG   GLN 297          1HG       GLN 297 -16.721   2.359 -23.346
  447   2HG   GLN 297          2HG       GLN 297 -15.991   2.581 -21.757
  448   1HE2  GLN 297          1HE2      GLN 297 -18.026   2.752 -20.800
  449   2HE2  GLN 297          2HE2      GLN 297 -18.989   4.179 -20.953
  450    H    GLU 298           H        GLU 298 -13.891   3.633 -26.058
  451    HA   GLU 298           HA       GLU 298 -15.466   1.609 -27.231
  452   1HB   GLU 298          1HB       GLU 298 -13.379   3.028 -28.810
  453   2HB   GLU 298          2HB       GLU 298 -15.032   2.629 -29.254
  454   1HG   GLU 298          1HG       GLU 298 -14.475   4.641 -27.112
  455   2HG   GLU 298          2HG       GLU 298 -14.402   5.090 -28.817
  456    H    ALA 299           H        ALA 299 -12.097   1.825 -26.428
  457    HA   ALA 299           HA       ALA 299 -11.303  -0.419 -28.060
  458   1HB   ALA 299          1HB       ALA 299  -9.731   1.394 -27.585
  459   2HB   ALA 299          2HB       ALA 299  -9.122  -0.154 -27.000
  460   3HB   ALA 299          3HB       ALA 299  -9.807   1.012 -25.865
  461    H    CYS 300           H        CYS 300 -12.138   0.176 -24.699
  462    HA   CYS 300           HA       CYS 300 -11.346  -2.372 -23.724
  463   1HB   CYS 300          1HB       CYS 300 -11.519  -0.729 -22.068
  464   2HB   CYS 300          2HB       CYS 300 -13.068  -0.151 -22.667
  465    HG   CYS 300           HG       CYS 300 -13.584  -1.259 -20.206
  466    H    SER 301           H        SER 301 -14.047  -1.269 -25.510
  467    HA   SER 301           HA       SER 301 -15.989  -3.138 -24.661
  468   1HB   SER 301          1HB       SER 301 -15.651  -1.439 -27.115
  469   2HB   SER 301          2HB       SER 301 -16.942  -2.637 -27.034
  470    HG   SER 301           HG       SER 301 -17.660  -0.619 -26.280
  471    H    ILE 302           H        ILE 302 -13.153  -3.508 -26.493
  472    HA   ILE 302           HA       ILE 302 -14.079  -5.826 -27.970
  473    HB   ILE 302           HB       ILE 302 -11.185  -5.110 -27.738
  474   1HG1  ILE 302          1HG1      ILE 302 -12.926  -3.740 -29.763
  475   2HG1  ILE 302          2HG1      ILE 302 -12.723  -3.040 -28.161
  476   1HG2  ILE 302          1HG2      ILE 302 -11.459  -6.988 -29.052
  477   2HG2  ILE 302          2HG2      ILE 302 -11.441  -5.698 -30.255
  478   3HG2  ILE 302          3HG2      ILE 302 -12.974  -6.407 -29.747
  479   1HD1  ILE 302          1HD1      ILE 302 -11.180  -2.091 -29.809
  480   2HD1  ILE 302          2HD1      ILE 302 -10.483  -3.692 -30.064
  481   3HD1  ILE 302          3HD1      ILE 302 -10.331  -2.903 -28.494
  482    HA   PRO 303           HA       PRO 303 -13.266  -8.651 -24.609
  483   1HB   PRO 303          1HB       PRO 303 -13.097 -10.646 -26.796
  484   2HB   PRO 303          2HB       PRO 303 -14.132 -10.629 -25.364
  485   1HG   PRO 303          1HG       PRO 303 -15.125 -10.106 -27.787
  486   2HG   PRO 303          2HG       PRO 303 -15.701  -9.242 -26.350
  487   1HD   PRO 303          1HD       PRO 303 -13.823  -8.324 -28.489
  488   2HD   PRO 303          2HD       PRO 303 -15.093  -7.420 -27.637
  489    H    GLY 304           H        GLY 304 -11.433  -9.371 -23.672
  490   1HA   GLY 304          1HA       GLY 304  -9.322 -10.538 -23.777
  491   2HA   GLY 304          2HA       GLY 304  -9.096  -9.887 -25.394
  492    H    ILE 305           H        ILE 305 -10.294  -7.342 -23.865
  493    HA   ILE 305           HA       ILE 305  -7.663  -6.424 -22.903
  494    HB   ILE 305           HB       ILE 305  -9.604  -4.382 -23.797
  495   1HG1  ILE 305          1HG1      ILE 305  -8.151  -6.154 -25.779
  496   2HG1  ILE 305          2HG1      ILE 305  -9.896  -6.090 -25.545
  497   1HG2  ILE 305          1HG2      ILE 305  -7.016  -4.156 -24.953
  498   2HG2  ILE 305          2HG2      ILE 305  -6.833  -4.612 -23.260
  499   3HG2  ILE 305          3HG2      ILE 305  -7.751  -3.168 -23.690
  500   1HD1  ILE 305          1HD1      ILE 305  -9.175  -3.462 -26.036
  501   2HD1  ILE 305          2HD1      ILE 305  -9.938  -4.581 -27.165
  502   3HD1  ILE 305          3HD1      ILE 305  -8.182  -4.409 -27.144
  503    H    GLY 306           H        GLY 306  -8.347  -4.067 -21.746
  504   1HA   GLY 306          1HA       GLY 306 -10.583  -4.481 -19.940
  505   2HA   GLY 306          2HA       GLY 306  -8.996  -4.570 -19.195
  506    H    LYS 307           H        LYS 307  -9.758  -2.767 -17.903
  507    HA   LYS 307           HA       LYS 307 -10.240  -0.228 -19.151
  508   1HB   LYS 307          1HB       LYS 307 -10.078  -1.258 -16.366
  509   2HB   LYS 307          2HB       LYS 307  -9.805   0.463 -16.608
  510   1HG   LYS 307          1HG       LYS 307 -11.966   0.738 -17.584
  511   2HG   LYS 307          2HG       LYS 307 -12.233  -1.005 -17.607
  512   1HD   LYS 307          1HD       LYS 307 -13.438  -0.257 -15.744
  513   2HD   LYS 307          2HD       LYS 307 -11.939  -0.897 -15.066
  514   1HE   LYS 307          1HE       LYS 307 -11.474   1.815 -15.685
  515   2HE   LYS 307          2HE       LYS 307 -13.033   1.738 -14.864
  516   1HZ   LYS 307          1HZ       LYS 307 -10.376   0.950 -13.866
  517   2HZ   LYS 307          2HZ       LYS 307 -11.768   0.254 -13.205
  518   3HZ   LYS 307          3HZ       LYS 307 -11.546   1.929 -13.133
  519    H    ARG 308           H        ARG 308  -7.605  -1.562 -17.161
  520    HA   ARG 308           HA       ARG 308  -5.901   0.638 -17.252
  521   1HB   ARG 308          1HB       ARG 308  -5.733  -2.136 -16.473
  522   2HB   ARG 308          2HB       ARG 308  -4.253  -1.635 -17.279
  523   1HG   ARG 308          1HG       ARG 308  -3.670  -0.199 -15.622
  524   2HG   ARG 308          2HG       ARG 308  -5.343   0.171 -15.202
  525   1HD   ARG 308          1HD       ARG 308  -4.248  -1.088 -13.422
  526   2HD   ARG 308          2HD       ARG 308  -5.568  -2.013 -14.139
  527    HE   ARG 308           HE       ARG 308  -2.698  -2.517 -14.530
  528   1HH1  ARG 308          1HH1      ARG 308  -6.025  -3.521 -14.824
  529   2HH1  ARG 308          2HH1      ARG 308  -5.627  -5.151 -15.248
  530   1HH2  ARG 308          1HH2      ARG 308  -2.170  -4.661 -15.092
  531   2HH2  ARG 308          2HH2      ARG 308  -3.439  -5.799 -15.402
  532    H    MET 309           H        MET 309  -6.270  -2.052 -19.513
  533    HA   MET 309           HA       MET 309  -4.086  -1.282 -21.180
  534   1HB   MET 309          1HB       MET 309  -6.193  -3.336 -21.202
  535   2HB   MET 309          2HB       MET 309  -5.717  -2.775 -22.798
  536   1HG   MET 309          1HG       MET 309  -4.235  -4.467 -22.537
  537   2HG   MET 309          2HG       MET 309  -3.301  -3.144 -21.840
  538   1HE   MET 309          1HE       MET 309  -1.831  -3.891 -20.561
  539   2HE   MET 309          2HE       MET 309  -1.853  -5.594 -20.106
  540   3HE   MET 309          3HE       MET 309  -2.076  -4.351 -18.876
  541    H    ALA 310           H        ALA 310  -7.539  -0.661 -21.157
  542    HA   ALA 310           HA       ALA 310  -7.891   0.449 -23.672
  543   1HB   ALA 310          1HB       ALA 310  -9.913   0.309 -22.682
  544   2HB   ALA 310          2HB       ALA 310  -9.571   1.970 -22.198
  545   3HB   ALA 310          3HB       ALA 310  -9.269   0.642 -21.076
  546    H    GLU 311           H        GLU 311  -7.189   2.212 -20.647
  547    HA   GLU 311           HA       GLU 311  -6.770   4.704 -21.895
  548   1HB   GLU 311          1HB       GLU 311  -5.470   5.195 -19.722
  549   2HB   GLU 311          2HB       GLU 311  -7.186   4.833 -19.599
  550   1HG   GLU 311          1HG       GLU 311  -6.702   2.572 -18.915
  551   2HG   GLU 311          2HG       GLU 311  -4.974   2.843 -19.145
  552    H    LYS 312           H        LYS 312  -4.748   1.926 -21.432
  553    HA   LYS 312           HA       LYS 312  -2.223   3.133 -21.760
  554   1HB   LYS 312          1HB       LYS 312  -2.611   0.804 -20.947
  555   2HB   LYS 312          2HB       LYS 312  -3.047   0.344 -22.587
  556   1HG   LYS 312          1HG       LYS 312  -0.822  -0.319 -22.346
  557   2HG   LYS 312          2HG       LYS 312  -0.743   1.186 -23.263
  558   1HD   LYS 312          1HD       LYS 312   0.929   1.439 -21.659
  559   2HD   LYS 312          2HD       LYS 312  -0.440   2.317 -20.968
  560   1HE   LYS 312          1HE       LYS 312  -0.405   1.015 -19.171
  561   2HE   LYS 312          2HE       LYS 312  -0.601  -0.419 -20.178
  562   1HZ   LYS 312          1HZ       LYS 312   2.062   0.558 -20.302
  563   2HZ   LYS 312          2HZ       LYS 312   1.505  -0.972 -19.842
  564   3HZ   LYS 312          3HZ       LYS 312   1.611   0.269 -18.697
  565    H    ILE 313           H        ILE 313  -4.546   1.789 -24.056
  566    HA   ILE 313           HA       ILE 313  -2.996   2.077 -26.384
  567    HB   ILE 313           HB       ILE 313  -6.006   2.242 -26.190
  568   1HG1  ILE 313          1HG1      ILE 313  -4.230  -0.196 -26.457
  569   2HG1  ILE 313          2HG1      ILE 313  -5.141   0.254 -25.022
  570   1HG2  ILE 313          1HG2      ILE 313  -5.638   1.031 -28.490
  571   2HG2  ILE 313          2HG2      ILE 313  -4.065   1.827 -28.413
  572   3HG2  ILE 313          3HG2      ILE 313  -5.544   2.788 -28.371
  573   1HD1  ILE 313          1HD1      ILE 313  -6.012  -1.100 -27.451
  574   2HD1  ILE 313          2HD1      ILE 313  -7.088   0.197 -26.930
  575   3HD1  ILE 313          3HD1      ILE 313  -6.697  -1.123 -25.827
  576    H    ILE 314           H        ILE 314  -5.363   4.225 -24.842
  577    HA   ILE 314           HA       ILE 314  -5.308   6.268 -26.770
  578    HB   ILE 314           HB       ILE 314  -5.831   6.526 -23.804
  579   1HG1  ILE 314          1HG1      ILE 314  -7.301   4.872 -24.844
  580   2HG1  ILE 314          2HG1      ILE 314  -8.208   6.322 -24.420
  581   1HG2  ILE 314          1HG2      ILE 314  -6.710   8.620 -24.168
  582   2HG2  ILE 314          2HG2      ILE 314  -7.006   8.319 -25.881
  583   3HG2  ILE 314          3HG2      ILE 314  -5.365   8.608 -25.307
  584   1HD1  ILE 314          1HD1      ILE 314  -8.268   5.037 -26.834
  585   2HD1  ILE 314          2HD1      ILE 314  -7.165   6.379 -27.136
  586   3HD1  ILE 314          3HD1      ILE 314  -8.792   6.695 -26.535
  587    H    GLU 315           H        GLU 315  -3.259   5.582 -24.001
  588    HA   GLU 315           HA       GLU 315  -1.893   8.030 -23.881
  589   1HB   GLU 315          1HB       GLU 315  -1.793   5.572 -22.555
  590   2HB   GLU 315          2HB       GLU 315  -0.179   5.809 -23.208
  591   1HG   GLU 315          1HG       GLU 315   0.299   7.271 -21.619
  592   2HG   GLU 315          2HG       GLU 315  -1.112   8.244 -22.030
  593    H    ILE 316           H        ILE 316  -1.317   5.095 -25.748
  594    HA   ILE 316           HA       ILE 316   1.168   5.883 -26.856
  595    HB   ILE 316           HB       ILE 316  -0.866   3.978 -28.026
  596   1HG1  ILE 316          1HG1      ILE 316   1.533   3.041 -26.527
  597   2HG1  ILE 316          2HG1      ILE 316   0.178   3.663 -25.589
  598   1HG2  ILE 316          1HG2      ILE 316   1.682   3.117 -28.675
  599   2HG2  ILE 316          2HG2      ILE 316   1.755   4.867 -28.883
  600   3HG2  ILE 316          3HG2      ILE 316   0.541   3.925 -29.750
  601   1HD1  ILE 316          1HD1      ILE 316   0.310   1.259 -27.352
  602   2HD1  ILE 316          2HD1      ILE 316  -1.237   2.033 -27.006
  603   3HD1  ILE 316          3HD1      ILE 316  -0.253   1.401 -25.686
  604    H    LEU 317           H        LEU 317  -2.122   6.651 -27.583
  605    HA   LEU 317           HA       LEU 317  -1.565   7.636 -30.242
  606   1HB   LEU 317          1HB       LEU 317  -3.990   7.620 -28.484
  607   2HB   LEU 317          2HB       LEU 317  -3.961   8.518 -29.987
  608    HG   LEU 317           HG       LEU 317  -3.253   5.615 -30.016
  609   1HD1  LEU 317          1HD1      LEU 317  -6.098   6.485 -30.302
  610   2HD1  LEU 317          2HD1      LEU 317  -5.440   6.082 -28.716
  611   3HD1  LEU 317          3HD1      LEU 317  -5.444   4.875 -30.003
  612   1HD2  LEU 317          1HD2      LEU 317  -4.610   7.479 -31.960
  613   2HD2  LEU 317          2HD2      LEU 317  -4.282   5.770 -32.249
  614   3HD2  LEU 317          3HD2      LEU 317  -2.945   6.901 -32.044
  615    H    GLU 318           H        GLU 318  -1.366   8.774 -27.055
  616    HA   GLU 318           HA       GLU 318  -1.590  11.578 -27.830
  617   1HB   GLU 318          1HB       GLU 318  -1.238  10.249 -25.147
  618   2HB   GLU 318          2HB       GLU 318  -1.283  11.992 -25.375
  619   1HG   GLU 318          1HG       GLU 318  -3.553  10.975 -26.670
  620   2HG   GLU 318          2HG       GLU 318  -3.447  10.136 -25.123
  621    H    SER 319           H        SER 319   0.648   9.548 -28.422
  622    HA   SER 319           HA       SER 319   2.888   9.595 -28.752
  623   1HB   SER 319          1HB       SER 319   3.901  11.623 -29.201
  624   2HB   SER 319          2HB       SER 319   2.197  12.022 -29.386
  625    HG   SER 319           HG       SER 319   2.791  13.563 -28.039
  626    H    GLY 320           H        GLY 320   1.571   9.464 -25.943
  627   1HA   GLY 320          1HA       GLY 320   2.760   8.466 -24.103
  628   2HA   GLY 320          2HA       GLY 320   4.141   9.477 -24.506
  629    H    HIS 321           H        HIS 321   3.237  11.962 -24.604
  630    HA   HIS 321           HA       HIS 321   1.581  12.494 -22.267
  631   1HB   HIS 321          1HB       HIS 321   4.469  12.705 -22.263
  632   2HB   HIS 321          2HB       HIS 321   3.725  14.269 -21.953
  633    HD1  HIS 321           HD1      HIS 321   4.657  11.170 -20.316
  634    HD2  HIS 321           HD2      HIS 321   1.850  14.169 -19.688
  635    HE1  HIS 321           HE1      HIS 321   3.922  10.913 -17.925
  636    HE2  HIS 321           HE2      HIS 321   2.161  12.683 -17.594
  637    H    LEU 322           H        LEU 322   3.893  14.462 -24.111
  638    HA   LEU 322           HA       LEU 322   1.631  15.999 -25.195
  639   1HB   LEU 322          1HB       LEU 322   3.201  16.965 -23.225
  640   2HB   LEU 322          2HB       LEU 322   4.134  17.466 -24.623
  641    HG   LEU 322           HG       LEU 322   1.930  18.487 -25.484
  642   1HD1  LEU 322          1HD1      LEU 322   1.064  18.919 -22.733
  643   2HD1  LEU 322          2HD1      LEU 322   0.886  17.249 -23.274
  644   3HD1  LEU 322          3HD1      LEU 322   0.120  18.555 -24.179
  645   1HD2  LEU 322          1HD2      LEU 322   3.672  19.943 -24.888
  646   2HD2  LEU 322          2HD2      LEU 322   3.534  19.544 -23.175
  647   3HD2  LEU 322          3HD2      LEU 322   2.278  20.500 -23.962
  648    H    ARG 323           H        ARG 323   5.176  16.163 -25.502
  649    HA   ARG 323           HA       ARG 323   4.853  16.108 -28.416
  650   1HB   ARG 323          1HB       ARG 323   7.310  16.830 -26.813
  651   2HB   ARG 323          2HB       ARG 323   7.077  17.058 -28.540
  652   1HG   ARG 323          1HG       ARG 323   4.960  18.365 -27.154
  653   2HG   ARG 323          2HG       ARG 323   6.500  18.851 -26.443
  654   1HD   ARG 323          1HD       ARG 323   7.228  19.856 -28.361
  655   2HD   ARG 323          2HD       ARG 323   6.298  18.782 -29.404
  656    HE   ARG 323           HE       ARG 323   4.719  20.610 -27.818
  657   1HH1  ARG 323          1HH1      ARG 323   6.355  20.054 -30.844
  658   2HH1  ARG 323          2HH1      ARG 323   5.426  21.230 -31.710
  659   1HH2  ARG 323          1HH2      ARG 323   3.490  22.163 -28.951
  660   2HH2  ARG 323          2HH2      ARG 323   3.799  22.428 -30.635
  661    H    LYS 324           H        LYS 324   6.349  14.856 -29.703
  662    HA   LYS 324           HA       LYS 324   6.784  12.235 -28.550
  663   1HB   LYS 324          1HB       LYS 324   6.272  13.281 -31.156
  664   2HB   LYS 324          2HB       LYS 324   7.779  12.376 -31.210
  665   1HG   LYS 324          1HG       LYS 324   5.561  11.063 -29.792
  666   2HG   LYS 324          2HG       LYS 324   5.343  11.279 -31.529
  667   1HD   LYS 324          1HD       LYS 324   8.004  10.367 -31.022
  668   2HD   LYS 324          2HD       LYS 324   6.862   9.309 -30.190
  669   1HE   LYS 324          1HE       LYS 324   7.055   9.938 -33.118
  670   2HE   LYS 324          2HE       LYS 324   7.109   8.366 -32.322
  671   1HZ   LYS 324          1HZ       LYS 324   4.993   8.636 -33.368
  672   2HZ   LYS 324          2HZ       LYS 324   4.737  10.127 -32.615
  673   3HZ   LYS 324          3HZ       LYS 324   4.759   8.708 -31.693
  674    H    LEU 325           H        LEU 325   8.763  11.154 -28.459
  675    HA   LEU 325           HA       LEU 325  11.147  12.858 -28.756
  676   1HB   LEU 325          1HB       LEU 325  11.671  10.866 -26.814
  677   2HB   LEU 325          2HB       LEU 325  11.621  12.605 -26.602
  678    HG   LEU 325           HG       LEU 325   8.938  11.677 -26.602
  679   1HD1  LEU 325          1HD1      LEU 325  10.421   9.543 -25.926
  680   2HD1  LEU 325          2HD1      LEU 325   8.828   9.877 -25.248
  681   3HD1  LEU 325          3HD1      LEU 325  10.279  10.324 -24.351
  682   1HD2  LEU 325          1HD2      LEU 325   9.595  13.652 -25.456
  683   2HD2  LEU 325          2HD2      LEU 325  10.783  12.775 -24.492
  684   3HD2  LEU 325          3HD2      LEU 325   9.061  12.500 -24.232
  685    H    ASP 326           H        ASP 326  13.093  11.795 -29.349
  686    HA   ASP 326           HA       ASP 326  12.619   9.275 -30.779
  687   1HB   ASP 326          1HB       ASP 326  13.701  11.603 -31.701
  688   2HB   ASP 326          2HB       ASP 326  15.151  10.704 -31.260
  689    H    HIS 327           H        HIS 327  12.941   7.753 -29.196
  690    HA   HIS 327           HA       HIS 327  15.041   7.794 -27.312
  691   1HB   HIS 327          1HB       HIS 327  12.811   6.329 -27.537
  692   2HB   HIS 327          2HB       HIS 327  13.956   5.173 -28.209
  693    HD1  HIS 327           HD1      HIS 327  16.226   6.353 -26.105
  694    HD2  HIS 327           HD2      HIS 327  12.542   4.614 -25.284
  695    HE1  HIS 327           HE1      HIS 327  16.407   5.470 -23.757
  696    HE2  HIS 327           HE2      HIS 327  14.145   4.479 -23.260
  Start of MODEL    2
    1    HA   ALA 242           HA       ALA 242  17.977  -2.885 -47.801
    2   1HB   ALA 242          1HB       ALA 242  19.719  -3.247 -45.463
    3   2HB   ALA 242          2HB       ALA 242  18.361  -4.217 -46.030
    4   3HB   ALA 242          3HB       ALA 242  18.067  -2.749 -45.100
    5    H    GLN 243           H        GLN 243  16.530  -1.689 -45.967
    6    HA   GLN 243           HA       GLN 243  17.135   1.182 -46.224
    7   1HB   GLN 243          1HB       GLN 243  14.758  -0.344 -46.975
    8   2HB   GLN 243          2HB       GLN 243  14.392   1.042 -45.956
    9   1HG   GLN 243          1HG       GLN 243  16.243   1.524 -48.199
   10   2HG   GLN 243          2HG       GLN 243  14.569   1.166 -48.622
   11   1HE2  GLN 243          1HE2      GLN 243  15.508   2.774 -45.669
   12   2HE2  GLN 243          2HE2      GLN 243  14.855   4.320 -46.072
   13    HA   PRO 244           HA       PRO 244  17.094   1.019 -41.757
   14   1HB   PRO 244          1HB       PRO 244  16.894   3.959 -42.002
   15   2HB   PRO 244          2HB       PRO 244  18.109   2.979 -41.176
   16   1HG   PRO 244          1HG       PRO 244  18.662   4.244 -43.470
   17   2HG   PRO 244          2HG       PRO 244  19.346   2.651 -43.100
   18   1HD   PRO 244          1HD       PRO 244  17.078   3.368 -44.911
   19   2HD   PRO 244          2HD       PRO 244  18.353   2.151 -45.126
   20    H    SER 245           H        SER 245  14.991   3.362 -43.439
   21    HA   SER 245           HA       SER 245  12.696   2.377 -41.979
   22   1HB   SER 245          1HB       SER 245  13.883   4.207 -40.576
   23   2HB   SER 245          2HB       SER 245  13.240   5.328 -41.776
   24    HG   SER 245           HG       SER 245  11.311   3.643 -40.980
   25    H    SER 246           H        SER 246  11.388   2.000 -43.647
   26    HA   SER 246           HA       SER 246  10.313   4.142 -45.169
   27   1HB   SER 246          1HB       SER 246  12.519   2.577 -46.348
   28   2HB   SER 246          2HB       SER 246  11.091   2.737 -47.371
   29    HG   SER 246           HG       SER 246  11.546   4.768 -47.662
   30    H    GLN 247           H        GLN 247   9.937   1.416 -43.642
   31    HA   GLN 247           HA       GLN 247   7.930   0.305 -45.491
   32   1HB   GLN 247          1HB       GLN 247   9.643  -1.314 -44.874
   33   2HB   GLN 247          2HB       GLN 247   9.354  -1.005 -43.167
   34   1HG   GLN 247          1HG       GLN 247   7.800  -2.572 -43.128
   35   2HG   GLN 247          2HG       GLN 247   6.883  -1.720 -44.370
   36   1HE2  GLN 247          1HE2      GLN 247   8.792  -4.427 -43.630
   37   2HE2  GLN 247          2HE2      GLN 247   8.847  -5.121 -45.212
   38    H    LYS 248           H        LYS 248   6.041   1.271 -45.040
   39    HA   LYS 248           HA       LYS 248   5.184   1.340 -42.222
   40   1HB   LYS 248          1HB       LYS 248   5.001   3.360 -44.375
   41   2HB   LYS 248          2HB       LYS 248   3.568   3.177 -43.373
   42   1HG   LYS 248          1HG       LYS 248   4.883   3.606 -41.375
   43   2HG   LYS 248          2HG       LYS 248   6.346   3.738 -42.355
   44   1HD   LYS 248          1HD       LYS 248   5.304   5.640 -43.562
   45   2HD   LYS 248          2HD       LYS 248   3.927   5.540 -42.462
   46   1HE   LYS 248          1HE       LYS 248   5.042   6.529 -40.779
   47   2HE   LYS 248          2HE       LYS 248   6.540   5.670 -41.136
   48   1HZ   LYS 248          1HZ       LYS 248   6.691   8.094 -41.470
   49   2HZ   LYS 248          2HZ       LYS 248   5.527   7.987 -42.692
   50   3HZ   LYS 248          3HZ       LYS 248   7.022   7.219 -42.880
   51    H    ALA 249           H        ALA 249   3.693  -0.135 -41.825
   52    HA   ALA 249           HA       ALA 249   2.318  -1.631 -43.731
   53   1HB   ALA 249          1HB       ALA 249   1.881  -2.826 -41.915
   54   2HB   ALA 249          2HB       ALA 249   0.768  -1.577 -41.356
   55   3HB   ALA 249          3HB       ALA 249   2.469  -1.511 -40.898
   56    H    THR 250           H        THR 250   0.110  -1.672 -44.344
   57    HA   THR 250           HA       THR 250  -1.024   0.986 -44.645
   58    HB   THR 250           HB       THR 250  -2.781  -0.827 -45.829
   59    HG1  THR 250           HG1      THR 250  -0.686  -1.756 -47.113
   60   1HG2  THR 250          1HG2      THR 250  -2.458   0.671 -47.443
   61   2HG2  THR 250          2HG2      THR 250  -0.847   0.015 -47.740
   62   3HG2  THR 250          3HG2      THR 250  -1.069   1.314 -46.567
   63    H    ASN 251           H        ASN 251  -1.412   0.968 -42.223
   64    HA   ASN 251           HA       ASN 251  -3.981  -0.336 -41.611
   65   1HB   ASN 251          1HB       ASN 251  -3.222   0.212 -39.173
   66   2HB   ASN 251          2HB       ASN 251  -2.526  -1.175 -40.006
   67   1HD2  ASN 251          1HD2      ASN 251  -1.979   2.260 -39.377
   68   2HD2  ASN 251          2HD2      ASN 251  -0.255   2.155 -39.316
   69    H    HIS 252           H        HIS 252  -5.688   0.878 -41.014
   70    HA   HIS 252           HA       HIS 252  -5.679   3.652 -41.561
   71   1HB   HIS 252          1HB       HIS 252  -7.742   1.997 -40.088
   72   2HB   HIS 252          2HB       HIS 252  -7.999   3.617 -40.726
   73    HD1  HIS 252           HD1      HIS 252  -9.937   1.741 -41.798
   74    HD2  HIS 252           HD2      HIS 252  -6.152   2.053 -43.483
   75    HE1  HIS 252           HE1      HIS 252 -10.161   0.824 -44.128
   76    HE2  HIS 252           HE2      HIS 252  -7.867   1.055 -45.143
   77    H    ASN 253           H        ASN 253  -5.912   1.837 -38.511
   78    HA   ASN 253           HA       ASN 253  -4.545   3.940 -37.089
   79   1HB   ASN 253          1HB       ASN 253  -7.480   3.444 -36.741
   80   2HB   ASN 253          2HB       ASN 253  -6.514   3.934 -35.353
   81   1HD2  ASN 253          1HD2      ASN 253  -5.236   5.917 -35.608
   82   2HD2  ASN 253          2HD2      ASN 253  -5.899   7.204 -36.549
   83    H    LEU 254           H        LEU 254  -3.662   1.428 -37.498
   84    HA   LEU 254           HA       LEU 254  -4.161   0.037 -34.958
   85   1HB   LEU 254          1HB       LEU 254  -3.180  -1.091 -37.578
   86   2HB   LEU 254          2HB       LEU 254  -3.457  -2.001 -36.110
   87    HG   LEU 254           HG       LEU 254  -5.712  -0.462 -37.332
   88   1HD1  LEU 254          1HD1      LEU 254  -4.521  -1.926 -39.062
   89   2HD1  LEU 254          2HD1      LEU 254  -6.255  -2.159 -38.840
   90   3HD1  LEU 254          3HD1      LEU 254  -5.112  -3.293 -38.118
   91   1HD2  LEU 254          1HD2      LEU 254  -6.091  -1.403 -35.152
   92   2HD2  LEU 254          2HD2      LEU 254  -5.502  -2.978 -35.684
   93   3HD2  LEU 254          3HD2      LEU 254  -7.006  -2.331 -36.340
   94    H    HIS 255           H        HIS 255  -2.204   2.235 -35.651
   95    HA   HIS 255           HA       HIS 255   0.395   1.059 -35.665
   96   1HB   HIS 255          1HB       HIS 255   1.181   3.359 -35.140
   97   2HB   HIS 255          2HB       HIS 255   0.101   3.301 -36.527
   98    HD1  HIS 255           HD1      HIS 255  -2.470   4.007 -35.953
   99    HD2  HIS 255           HD2      HIS 255   0.458   5.155 -33.236
  100    HE1  HIS 255           HE1      HIS 255  -3.509   5.838 -34.578
  101    HE2  HIS 255           HE2      HIS 255  -1.714   6.532 -32.951
  102    H    ILE 256           H        ILE 256  -1.929   1.730 -33.231
  103    HA   ILE 256           HA       ILE 256  -0.182   1.949 -31.000
  104    HB   ILE 256           HB       ILE 256  -2.844   0.739 -30.546
  105   1HG1  ILE 256          1HG1      ILE 256  -3.452   3.438 -30.833
  106   2HG1  ILE 256          2HG1      ILE 256  -2.489   3.069 -32.259
  107   1HG2  ILE 256          1HG2      ILE 256  -1.675   1.408 -28.630
  108   2HG2  ILE 256          2HG2      ILE 256  -2.881   2.671 -28.884
  109   3HG2  ILE 256          3HG2      ILE 256  -1.202   2.947 -29.349
  110   1HD1  ILE 256          1HD1      ILE 256  -5.206   2.580 -31.865
  111   2HD1  ILE 256          2HD1      ILE 256  -4.421   1.001 -31.815
  112   3HD1  ILE 256          3HD1      ILE 256  -4.201   2.051 -33.214
  113    H    THR 257           H        THR 257  -1.932  -0.765 -32.462
  114    HA   THR 257           HA       THR 257  -1.325  -2.764 -30.647
  115    HB   THR 257           HB       THR 257  -1.723  -4.361 -32.385
  116    HG1  THR 257           HG1      THR 257  -1.922  -3.319 -34.630
  117   1HG2  THR 257          1HG2      THR 257  -3.878  -3.808 -32.609
  118   2HG2  THR 257          2HG2      THR 257  -3.489  -2.387 -33.577
  119   3HG2  THR 257          3HG2      THR 257  -3.468  -2.286 -31.817
  120    H    GLU 258           H        GLU 258   0.670  -1.271 -33.088
  121    HA   GLU 258           HA       GLU 258   2.754  -3.186 -33.122
  122   1HB   GLU 258          1HB       GLU 258   3.097  -0.234 -33.633
  123   2HB   GLU 258          2HB       GLU 258   4.026  -1.565 -34.308
  124   1HG   GLU 258          1HG       GLU 258   1.229  -1.826 -34.949
  125   2HG   GLU 258          2HG       GLU 258   1.862  -0.264 -35.466
  126    H    LYS 259           H        LYS 259   2.420  -0.071 -31.434
  127    HA   LYS 259           HA       LYS 259   4.814  -0.209 -29.965
  128   1HB   LYS 259          1HB       LYS 259   2.318   1.369 -29.880
  129   2HB   LYS 259          2HB       LYS 259   3.167   1.248 -28.346
  130   1HG   LYS 259          1HG       LYS 259   4.540   2.083 -30.880
  131   2HG   LYS 259          2HG       LYS 259   3.730   3.232 -29.812
  132   1HD   LYS 259          1HD       LYS 259   5.281   2.987 -28.149
  133   2HD   LYS 259          2HD       LYS 259   5.670   1.329 -28.612
  134   1HE   LYS 259          1HE       LYS 259   7.549   2.262 -29.428
  135   2HE   LYS 259          2HE       LYS 259   6.519   2.666 -30.800
  136   1HZ   LYS 259          1HZ       LYS 259   7.896   4.524 -29.806
  137   2HZ   LYS 259          2HZ       LYS 259   6.831   4.490 -28.492
  138   3HZ   LYS 259          3HZ       LYS 259   6.251   4.845 -30.041
  139    H    LEU 260           H        LEU 260   1.792  -1.822 -29.556
  140    HA   LEU 260           HA       LEU 260   2.230  -2.483 -26.778
  141   1HB   LEU 260          1HB       LEU 260   0.139  -3.026 -28.815
  142   2HB   LEU 260          2HB       LEU 260   0.295  -4.186 -27.510
  143    HG   LEU 260           HG       LEU 260  -1.425  -2.544 -27.002
  144   1HD1  LEU 260          1HD1      LEU 260   0.396  -1.525 -25.045
  145   2HD1  LEU 260          2HD1      LEU 260   0.739  -3.228 -25.352
  146   3HD1  LEU 260          3HD1      LEU 260  -0.880  -2.728 -24.864
  147   1HD2  LEU 260          1HD2      LEU 260   0.715  -0.645 -27.755
  148   2HD2  LEU 260          2HD2      LEU 260  -0.343  -0.176 -26.424
  149   3HD2  LEU 260          3HD2      LEU 260  -1.029  -0.551 -28.006
  150    H    GLU 261           H        GLU 261   3.132  -3.725 -29.841
  151    HA   GLU 261           HA       GLU 261   3.582  -6.428 -28.926
  152   1HB   GLU 261          1HB       GLU 261   3.671  -4.957 -31.479
  153   2HB   GLU 261          2HB       GLU 261   4.860  -6.237 -31.321
  154   1HG   GLU 261          1HG       GLU 261   2.561  -7.444 -30.442
  155   2HG   GLU 261          2HG       GLU 261   1.985  -6.390 -31.732
  156    H    VAL 262           H        VAL 262   5.402  -3.500 -29.553
  157    HA   VAL 262           HA       VAL 262   7.974  -4.645 -29.322
  158    HB   VAL 262           HB       VAL 262   8.259  -1.989 -28.663
  159   1HG1  VAL 262          1HG1      VAL 262   9.462  -3.343 -30.371
  160   2HG1  VAL 262          2HG1      VAL 262   9.029  -1.722 -30.920
  161   3HG1  VAL 262          3HG1      VAL 262   8.074  -3.115 -31.438
  162   1HG2  VAL 262          1HG2      VAL 262   6.140  -2.046 -30.756
  163   2HG2  VAL 262          2HG2      VAL 262   6.804  -0.662 -29.886
  164   3HG2  VAL 262          3HG2      VAL 262   5.762  -1.811 -29.048
  165    H    LEU 263           H        LEU 263   5.698  -3.219 -27.053
  166    HA   LEU 263           HA       LEU 263   7.551  -3.059 -24.882
  167   1HB   LEU 263          1HB       LEU 263   4.755  -2.451 -25.356
  168   2HB   LEU 263          2HB       LEU 263   4.987  -3.215 -23.794
  169    HG   LEU 263           HG       LEU 263   6.742  -1.473 -23.307
  170   1HD1  LEU 263          1HD1      LEU 263   7.441  -0.174 -24.960
  171   2HD1  LEU 263          2HD1      LEU 263   5.840   0.567 -25.009
  172   3HD1  LEU 263          3HD1      LEU 263   6.204  -0.816 -26.041
  173   1HD2  LEU 263          1HD2      LEU 263   3.926  -0.529 -23.832
  174   2HD2  LEU 263          2HD2      LEU 263   5.101   0.274 -22.789
  175   3HD2  LEU 263          3HD2      LEU 263   4.503  -1.332 -22.371
  176    H    ALA 264           H        ALA 264   5.127  -5.408 -25.931
  177    HA   ALA 264           HA       ALA 264   5.458  -7.115 -23.659
  178   1HB   ALA 264          1HB       ALA 264   3.909  -8.539 -24.668
  179   2HB   ALA 264          2HB       ALA 264   4.327  -7.994 -26.293
  180   3HB   ALA 264          3HB       ALA 264   3.426  -6.932 -25.212
  181    H    LYS 265           H        LYS 265   6.922  -6.870 -26.823
  182    HA   LYS 265           HA       LYS 265   8.128  -9.441 -26.860
  183   1HB   LYS 265          1HB       LYS 265   7.735  -7.732 -28.788
  184   2HB   LYS 265          2HB       LYS 265   9.283  -7.068 -28.285
  185   1HG   LYS 265          1HG       LYS 265  10.011  -9.609 -28.476
  186   2HG   LYS 265          2HG       LYS 265   8.659  -9.643 -29.609
  187   1HD   LYS 265          1HD       LYS 265   9.866  -8.611 -31.168
  188   2HD   LYS 265          2HD       LYS 265  10.274  -7.306 -30.052
  189   1HE   LYS 265          1HE       LYS 265  12.322  -8.120 -29.689
  190   2HE   LYS 265          2HE       LYS 265  11.721  -9.766 -29.488
  191   1HZ   LYS 265          1HZ       LYS 265  12.969  -9.975 -31.375
  192   2HZ   LYS 265          2HZ       LYS 265  12.639  -8.408 -31.922
  193   3HZ   LYS 265          3HZ       LYS 265  11.465  -9.617 -32.064
  194    H    ALA 266           H        ALA 266   9.417  -6.211 -26.097
  195    HA   ALA 266           HA       ALA 266  12.020  -6.927 -25.479
  196   1HB   ALA 266          1HB       ALA 266  12.165  -4.738 -25.145
  197   2HB   ALA 266          2HB       ALA 266  11.192  -4.875 -23.681
  198   3HB   ALA 266          3HB       ALA 266  10.408  -4.619 -25.240
  199    H    TYR 267           H        TYR 267   9.169  -6.842 -23.374
  200    HA   TYR 267           HA       TYR 267  10.531  -7.599 -21.009
  201   1HB   TYR 267          1HB       TYR 267   7.689  -7.406 -21.876
  202   2HB   TYR 267          2HB       TYR 267   8.037  -8.390 -20.460
  203    HD1  TYR 267           HD1      TYR 267   9.654  -5.215 -21.560
  204    HD2  TYR 267           HD2      TYR 267   7.199  -7.151 -18.674
  205    HE1  TYR 267           HE1      TYR 267   9.708  -3.192 -20.166
  206    HE2  TYR 267           HE2      TYR 267   7.246  -5.133 -17.272
  207    HH   TYR 267           HH       TYR 267   8.934  -3.110 -17.013
  208    H    SER 268           H        SER 268   9.195  -9.368 -23.687
  209    HA   SER 268           HA       SER 268   9.137 -11.915 -22.395
  210   1HB   SER 268          1HB       SER 268   7.781 -12.107 -24.200
  211   2HB   SER 268          2HB       SER 268   8.645 -10.864 -25.104
  212    HG   SER 268           HG       SER 268   9.676 -13.468 -24.681
  213    H    VAL 269           H        VAL 269  11.537 -10.059 -24.108
  214    HA   VAL 269           HA       VAL 269  13.352 -12.319 -24.339
  215    HB   VAL 269           HB       VAL 269  13.944  -9.421 -24.943
  216   1HG1  VAL 269          1HG1      VAL 269  15.987 -10.154 -25.398
  217   2HG1  VAL 269          2HG1      VAL 269  15.319 -11.221 -26.632
  218   3HG1  VAL 269          3HG1      VAL 269  15.513 -11.800 -24.978
  219   1HG2  VAL 269          1HG2      VAL 269  12.134  -9.856 -26.344
  220   2HG2  VAL 269          2HG2      VAL 269  12.614 -11.533 -26.604
  221   3HG2  VAL 269          3HG2      VAL 269  13.532 -10.226 -27.353
  222    H    GLN 270           H        GLN 270  12.787  -9.584 -22.268
  223    HA   GLN 270           HA       GLN 270  15.346  -9.662 -20.971
  224   1HB   GLN 270          1HB       GLN 270  12.746  -8.281 -20.337
  225   2HB   GLN 270          2HB       GLN 270  14.147  -8.170 -19.282
  226   1HG   GLN 270          1HG       GLN 270  15.090  -7.559 -21.827
  227   2HG   GLN 270          2HG       GLN 270  13.538  -6.737 -21.699
  228   1HE2  GLN 270          1HE2      GLN 270  16.518  -5.963 -21.583
  229   2HE2  GLN 270          2HE2      GLN 270  16.592  -4.893 -20.228
  230    H    GLY 271           H        GLY 271  12.392 -11.379 -20.664
  231   1HA   GLY 271          1HA       GLY 271  12.696 -13.494 -19.356
  232   2HA   GLY 271          2HA       GLY 271  13.282 -12.461 -18.062
  233    H    ASP 272           H        ASP 272  11.232 -10.402 -18.756
  234    HA   ASP 272           HA       ASP 272   9.224 -11.240 -16.948
  235   1HB   ASP 272          1HB       ASP 272   9.590  -8.877 -18.756
  236   2HB   ASP 272          2HB       ASP 272   8.036  -9.133 -17.971
  237    H    LYS 273           H        LYS 273   8.386 -13.190 -17.779
  238    HA   LYS 273           HA       LYS 273   7.101 -13.194 -20.372
  239   1HB   LYS 273          1HB       LYS 273   8.345 -15.159 -19.225
  240   2HB   LYS 273          2HB       LYS 273   6.844 -15.386 -18.338
  241   1HG   LYS 273          1HG       LYS 273   5.821 -15.310 -20.778
  242   2HG   LYS 273          2HG       LYS 273   7.448 -15.846 -21.203
  243   1HD   LYS 273          1HD       LYS 273   7.257 -17.800 -19.909
  244   2HD   LYS 273          2HD       LYS 273   5.846 -17.188 -19.043
  245   1HE   LYS 273          1HE       LYS 273   4.424 -17.849 -20.651
  246   2HE   LYS 273          2HE       LYS 273   5.506 -17.343 -21.948
  247   1HZ   LYS 273          1HZ       LYS 273   5.976 -19.790 -20.348
  248   2HZ   LYS 273          2HZ       LYS 273   6.687 -19.356 -21.819
  249   3HZ   LYS 273          3HZ       LYS 273   5.056 -19.797 -21.768
  250    H    TRP 274           H        TRP 274   6.102 -13.363 -16.972
  251    HA   TRP 274           HA       TRP 274   3.379 -13.748 -17.327
  252   1HB   TRP 274          1HB       TRP 274   5.123 -12.894 -15.183
  253   2HB   TRP 274          2HB       TRP 274   3.604 -12.003 -15.144
  254    HD1  TRP 274           HD1      TRP 274   1.371 -13.399 -14.644
  255    HE1  TRP 274           HE1      TRP 274   0.998 -15.715 -13.584
  256    HE3  TRP 274           HE3      TRP 274   6.132 -15.230 -14.997
  257    HZ2  TRP 274           HZ2      TRP 274   2.522 -18.013 -12.976
  258    HZ3  TRP 274           HZ3      TRP 274   6.591 -17.495 -14.151
  259    HH2  TRP 274           HH2      TRP 274   4.822 -18.855 -13.161
  260    H    ARG 275           H        ARG 275   5.104 -10.652 -16.983
  261    HA   ARG 275           HA       ARG 275   2.837  -9.028 -17.416
  262   1HB   ARG 275          1HB       ARG 275   5.574  -8.085 -18.161
  263   2HB   ARG 275          2HB       ARG 275   4.283  -7.222 -17.336
  264   1HG   ARG 275          1HG       ARG 275   4.720  -8.927 -15.426
  265   2HG   ARG 275          2HG       ARG 275   6.273  -9.153 -16.233
  266   1HD   ARG 275          1HD       ARG 275   7.015  -7.082 -15.681
  267   2HD   ARG 275          2HD       ARG 275   5.408  -6.363 -15.773
  268    HE   ARG 275           HE       ARG 275   5.315  -7.984 -13.576
  269   1HH1  ARG 275          1HH1      ARG 275   7.331  -5.336 -14.609
  270   2HH1  ARG 275          2HH1      ARG 275   7.669  -4.797 -12.998
  271   1HH2  ARG 275          1HH2      ARG 275   5.755  -7.283 -11.454
  272   2HH2  ARG 275          2HH2      ARG 275   6.773  -5.904 -11.204
  273    H    ALA 276           H        ALA 276   5.393 -10.154 -19.604
  274    HA   ALA 276           HA       ALA 276   4.595  -8.767 -21.891
  275   1HB   ALA 276          1HB       ALA 276   6.238 -11.170 -21.351
  276   2HB   ALA 276          2HB       ALA 276   6.640  -9.690 -22.223
  277   3HB   ALA 276          3HB       ALA 276   5.668 -10.937 -23.004
  278    H    LEU 277           H        LEU 277   3.271 -11.601 -20.387
  279    HA   LEU 277           HA       LEU 277   1.831 -12.556 -22.652
  280   1HB   LEU 277          1HB       LEU 277   1.802 -14.299 -21.260
  281   2HB   LEU 277          2HB       LEU 277   2.194 -13.293 -19.881
  282    HG   LEU 277           HG       LEU 277  -0.379 -12.677 -20.034
  283   1HD1  LEU 277          1HD1      LEU 277  -0.122 -15.285 -21.488
  284   2HD1  LEU 277          2HD1      LEU 277  -1.062 -13.859 -21.924
  285   3HD1  LEU 277          3HD1      LEU 277  -1.577 -14.877 -20.581
  286   1HD2  LEU 277          1HD2      LEU 277  -0.082 -13.575 -18.019
  287   2HD2  LEU 277          2HD2      LEU 277   1.189 -14.647 -18.605
  288   3HD2  LEU 277          3HD2      LEU 277  -0.503 -15.127 -18.744
  289    H    GLY 278           H        GLY 278   1.018 -10.491 -19.890
  290   1HA   GLY 278          1HA       GLY 278  -1.730 -10.218 -20.430
  291   2HA   GLY 278          2HA       GLY 278  -0.752  -9.078 -19.516
  292    H    TYR 279           H        TYR 279   1.041  -8.280 -21.493
  293    HA   TYR 279           HA       TYR 279  -0.465  -6.297 -22.824
  294   1HB   TYR 279          1HB       TYR 279   2.370  -7.119 -22.703
  295   2HB   TYR 279          2HB       TYR 279   1.894  -6.281 -24.176
  296    HD1  TYR 279           HD1      TYR 279  -0.100  -4.361 -23.106
  297    HD2  TYR 279           HD2      TYR 279   3.679  -5.560 -21.563
  298    HE1  TYR 279           HE1      TYR 279   0.103  -2.205 -21.944
  299    HE2  TYR 279           HE2      TYR 279   3.892  -3.407 -20.397
  300    HH   TYR 279           HH       TYR 279   2.155  -1.619 -19.498
  301    H    ALA 280           H        ALA 280   1.126  -9.250 -23.994
  302    HA   ALA 280           HA       ALA 280   0.510  -8.975 -26.707
  303   1HB   ALA 280          1HB       ALA 280   2.019 -10.654 -26.406
  304   2HB   ALA 280          2HB       ALA 280   0.553 -11.628 -26.505
  305   3HB   ALA 280          3HB       ALA 280   1.246 -11.236 -24.932
  306    H    LYS 281           H        LYS 281  -1.392 -10.196 -24.021
  307    HA   LYS 281           HA       LYS 281  -3.458 -11.413 -25.485
  308   1HB   LYS 281          1HB       LYS 281  -3.133 -10.366 -22.725
  309   2HB   LYS 281          2HB       LYS 281  -4.780 -10.589 -23.297
  310   1HG   LYS 281          1HG       LYS 281  -2.863 -12.821 -23.679
  311   2HG   LYS 281          2HG       LYS 281  -3.457 -12.502 -22.049
  312   1HD   LYS 281          1HD       LYS 281  -5.324 -12.756 -24.387
  313   2HD   LYS 281          2HD       LYS 281  -4.764 -14.169 -23.491
  314   1HE   LYS 281          1HE       LYS 281  -6.355 -13.808 -21.986
  315   2HE   LYS 281          2HE       LYS 281  -5.591 -12.270 -21.582
  316   1HZ   LYS 281          1HZ       LYS 281  -7.756 -12.764 -23.542
  317   2HZ   LYS 281          2HZ       LYS 281  -6.878 -11.317 -23.502
  318   3HZ   LYS 281          3HZ       LYS 281  -7.803 -11.783 -22.163
  319    H    ALA 282           H        ALA 282  -2.946  -8.091 -24.430
  320    HA   ALA 282           HA       ALA 282  -5.466  -7.080 -25.212
  321   1HB   ALA 282          1HB       ALA 282  -4.141  -4.860 -25.275
  322   2HB   ALA 282          2HB       ALA 282  -2.807  -5.827 -24.645
  323   3HB   ALA 282          3HB       ALA 282  -4.314  -5.706 -23.737
  324    H    ILE 283           H        ILE 283  -2.398  -7.472 -26.898
  325    HA   ILE 283           HA       ILE 283  -3.105  -6.020 -29.225
  326    HB   ILE 283           HB       ILE 283  -1.184  -8.330 -29.251
  327   1HG1  ILE 283          1HG1      ILE 283  -0.453  -5.543 -28.357
  328   2HG1  ILE 283          2HG1      ILE 283  -0.850  -6.826 -27.218
  329   1HG2  ILE 283          1HG2      ILE 283  -1.893  -6.861 -31.282
  330   2HG2  ILE 283          2HG2      ILE 283  -0.194  -7.267 -31.043
  331   3HG2  ILE 283          3HG2      ILE 283  -0.796  -5.678 -30.570
  332   1HD1  ILE 283          1HD1      ILE 283   1.025  -7.997 -28.846
  333   2HD1  ILE 283          2HD1      ILE 283   1.318  -7.305 -27.251
  334   3HD1  ILE 283          3HD1      ILE 283   1.595  -6.335 -28.697
  335    H    ASN 284           H        ASN 284  -3.633  -9.309 -28.177
  336    HA   ASN 284           HA       ASN 284  -4.350 -10.416 -30.674
  337   1HB   ASN 284          1HB       ASN 284  -4.156 -11.307 -28.006
  338   2HB   ASN 284          2HB       ASN 284  -5.809 -11.636 -28.513
  339   1HD2  ASN 284          1HD2      ASN 284  -5.926 -13.696 -29.031
  340   2HD2  ASN 284          2HD2      ASN 284  -4.817 -14.554 -30.040
  341    H    ALA 285           H        ALA 285  -6.140  -8.663 -28.213
  342    HA   ALA 285           HA       ALA 285  -8.725  -9.146 -29.310
  343   1HB   ALA 285          1HB       ALA 285  -9.469  -8.059 -27.500
  344   2HB   ALA 285          2HB       ALA 285  -8.434  -6.664 -27.800
  345   3HB   ALA 285          3HB       ALA 285  -7.789  -8.077 -26.966
  346    H    LEU 286           H        LEU 286  -6.465  -6.409 -29.477
  347    HA   LEU 286           HA       LEU 286  -8.063  -4.832 -31.206
  348   1HB   LEU 286          1HB       LEU 286  -5.066  -4.683 -31.100
  349   2HB   LEU 286          2HB       LEU 286  -6.216  -3.388 -31.376
  350    HG   LEU 286           HG       LEU 286  -6.231  -4.777 -28.735
  351   1HD1  LEU 286          1HD1      LEU 286  -4.026  -3.159 -29.822
  352   2HD1  LEU 286          2HD1      LEU 286  -4.036  -4.335 -28.507
  353   3HD1  LEU 286          3HD1      LEU 286  -4.604  -2.689 -28.223
  354   1HD2  LEU 286          1HD2      LEU 286  -7.747  -2.808 -29.753
  355   2HD2  LEU 286          2HD2      LEU 286  -6.449  -1.850 -29.042
  356   3HD2  LEU 286          3HD2      LEU 286  -7.378  -2.960 -28.035
  357    H    LYS 287           H        LYS 287  -6.108  -7.577 -31.687
  358    HA   LYS 287           HA       LYS 287  -5.268  -7.203 -34.346
  359   1HB   LYS 287          1HB       LYS 287  -4.877  -9.116 -32.438
  360   2HB   LYS 287          2HB       LYS 287  -5.939  -9.959 -33.556
  361   1HG   LYS 287          1HG       LYS 287  -4.233 -10.366 -34.894
  362   2HG   LYS 287          2HG       LYS 287  -3.926  -8.637 -35.065
  363   1HD   LYS 287          1HD       LYS 287  -3.006  -9.894 -32.554
  364   2HD   LYS 287          2HD       LYS 287  -2.150 -10.366 -34.023
  365   1HE   LYS 287          1HE       LYS 287  -2.636  -7.501 -33.235
  366   2HE   LYS 287          2HE       LYS 287  -1.186  -8.395 -32.780
  367   1HZ   LYS 287          1HZ       LYS 287  -0.436  -8.450 -34.929
  368   2HZ   LYS 287          2HZ       LYS 287  -1.218  -6.951 -34.923
  369   3HZ   LYS 287          3HZ       LYS 287  -1.978  -8.297 -35.608
  370    H    SER 288           H        SER 288  -8.363  -7.738 -33.038
  371    HA   SER 288           HA       SER 288  -9.412  -8.825 -35.546
  372   1HB   SER 288          1HB       SER 288 -11.343  -8.310 -33.401
  373   2HB   SER 288          2HB       SER 288 -11.050  -9.784 -34.325
  374    HG   SER 288           HG       SER 288 -10.036 -10.498 -32.644
  375    H    PHE 289           H        PHE 289  -9.529  -5.975 -33.508
  376    HA   PHE 289           HA       PHE 289 -11.684  -4.629 -34.644
  377   1HB   PHE 289          1HB       PHE 289  -9.898  -4.057 -32.681
  378   2HB   PHE 289          2HB       PHE 289  -9.346  -2.963 -33.943
  379    HD1  PHE 289           HD1      PHE 289 -10.110  -0.830 -33.661
  380    HD2  PHE 289           HD2      PHE 289 -12.681  -4.074 -32.674
  381    HE1  PHE 289           HE1      PHE 289 -11.884   0.766 -33.058
  382    HE2  PHE 289           HE2      PHE 289 -14.460  -2.484 -32.069
  383    HZ   PHE 289           HZ       PHE 289 -14.062  -0.061 -32.260
  384    H    HIS 290           H        HIS 290 -11.995  -4.287 -36.746
  385    HA   HIS 290           HA       HIS 290  -9.702  -3.748 -38.478
  386   1HB   HIS 290          1HB       HIS 290 -12.541  -4.592 -38.979
  387   2HB   HIS 290          2HB       HIS 290 -11.568  -3.916 -40.282
  388    HD1  HIS 290           HD1      HIS 290  -9.019  -5.243 -40.292
  389    HD2  HIS 290           HD2      HIS 290 -12.416  -7.281 -39.039
  390    HE1  HIS 290           HE1      HIS 290  -8.463  -7.684 -40.524
  391    HE2  HIS 290           HE2      HIS 290 -10.493  -8.896 -39.654
  392    H    LYS 291           H        LYS 291 -12.624  -2.246 -37.254
  393    HA   LYS 291           HA       LYS 291 -12.438   0.041 -38.985
  394   1HB   LYS 291          1HB       LYS 291 -14.205   0.980 -37.455
  395   2HB   LYS 291          2HB       LYS 291 -14.622  -0.538 -38.236
  396   1HG   LYS 291          1HG       LYS 291 -13.495  -1.385 -35.894
  397   2HG   LYS 291          2HG       LYS 291 -14.320   0.098 -35.407
  398   1HD   LYS 291          1HD       LYS 291 -15.614  -2.137 -36.967
  399   2HD   LYS 291          2HD       LYS 291 -15.721  -1.956 -35.215
  400   1HE   LYS 291          1HE       LYS 291 -16.594   0.154 -37.181
  401   2HE   LYS 291          2HE       LYS 291 -17.679  -1.051 -36.489
  402   1HZ   LYS 291          1HZ       LYS 291 -16.996   1.391 -35.408
  403   2HZ   LYS 291          2HZ       LYS 291 -16.191   0.248 -34.455
  404   3HZ   LYS 291          3HZ       LYS 291 -17.867   0.151 -34.653
  405    HA   PRO 292           HA       PRO 292  -9.404   2.408 -36.817
  406   1HB   PRO 292          1HB       PRO 292 -11.081   4.759 -37.508
  407   2HB   PRO 292          2HB       PRO 292  -9.381   4.442 -37.871
  408   1HG   PRO 292          1HG       PRO 292 -11.238   4.271 -39.775
  409   2HG   PRO 292          2HG       PRO 292  -9.883   3.127 -39.713
  410   1HD   PRO 292          1HD       PRO 292 -12.731   2.742 -38.882
  411   2HD   PRO 292          2HD       PRO 292 -11.632   1.613 -39.701
  412    H    VAL 293           H        VAL 293  -9.126   3.000 -34.752
  413    HA   VAL 293           HA       VAL 293 -11.476   3.320 -33.061
  414    HB   VAL 293           HB       VAL 293  -9.649   1.789 -32.371
  415   1HG1  VAL 293          1HG1      VAL 293  -8.068   4.290 -32.591
  416   2HG1  VAL 293          2HG1      VAL 293  -7.619   2.626 -32.967
  417   3HG1  VAL 293          3HG1      VAL 293  -7.661   3.170 -31.290
  418   1HG2  VAL 293          1HG2      VAL 293 -11.143   2.729 -30.697
  419   2HG2  VAL 293          2HG2      VAL 293 -10.098   4.140 -30.534
  420   3HG2  VAL 293          3HG2      VAL 293  -9.515   2.549 -30.044
  421    H    THR 294           H        THR 294 -11.695   5.095 -31.567
  422    HA   THR 294           HA       THR 294 -10.101   7.473 -32.226
  423    HB   THR 294           HB       THR 294 -12.275   8.813 -32.026
  424    HG1  THR 294           HG1      THR 294 -14.150   7.606 -32.606
  425   1HG2  THR 294          1HG2      THR 294 -12.520   7.218 -34.487
  426   2HG2  THR 294          2HG2      THR 294 -10.912   7.870 -34.174
  427   3HG2  THR 294          3HG2      THR 294 -12.298   8.955 -34.279
  428    H    SER 295           H        SER 295 -12.179   5.796 -29.937
  429    HA   SER 295           HA       SER 295 -11.070   7.508 -27.816
  430   1HB   SER 295          1HB       SER 295 -13.520   7.989 -28.429
  431   2HB   SER 295          2HB       SER 295 -13.880   6.430 -27.689
  432    HG   SER 295           HG       SER 295 -12.508   8.549 -26.394
  433    H    TYR 296           H        TYR 296 -11.284   6.524 -25.632
  434    HA   TYR 296           HA       TYR 296 -10.109   3.952 -25.596
  435   1HB   TYR 296          1HB       TYR 296 -10.105   4.169 -23.201
  436   2HB   TYR 296          2HB       TYR 296  -9.741   5.747 -23.888
  437    HD1  TYR 296           HD1      TYR 296 -11.232   4.454 -21.210
  438    HD2  TYR 296           HD2      TYR 296 -12.295   6.898 -24.524
  439    HE1  TYR 296           HE1      TYR 296 -13.062   5.434 -19.894
  440    HE2  TYR 296           HE2      TYR 296 -14.129   7.883 -23.223
  441    HH   TYR 296           HH       TYR 296 -15.370   6.588 -20.520
  442    H    GLN 297           H        GLN 297 -13.397   5.092 -25.126
  443    HA   GLN 297           HA       GLN 297 -14.449   2.696 -24.056
  444   1HB   GLN 297          1HB       GLN 297 -16.652   3.681 -24.881
  445   2HB   GLN 297          2HB       GLN 297 -15.743   4.636 -23.721
  446   1HG   GLN 297          1HG       GLN 297 -14.976   6.111 -25.424
  447   2HG   GLN 297          2HG       GLN 297 -15.623   5.071 -26.691
  448   1HE2  GLN 297          1HE2      GLN 297 -18.008   4.716 -26.599
  449   2HE2  GLN 297          2HE2      GLN 297 -18.997   6.069 -26.180
  450    H    GLU 298           H        GLU 298 -14.072   3.933 -27.328
  451    HA   GLU 298           HA       GLU 298 -15.550   1.902 -28.630
  452   1HB   GLU 298          1HB       GLU 298 -13.272   3.161 -30.046
  453   2HB   GLU 298          2HB       GLU 298 -14.920   2.896 -30.590
  454   1HG   GLU 298          1HG       GLU 298 -14.706   4.822 -28.406
  455   2HG   GLU 298          2HG       GLU 298 -13.845   5.299 -29.869
  456    H    ALA 299           H        ALA 299 -12.319   2.106 -27.398
  457    HA   ALA 299           HA       ALA 299 -11.417  -0.266 -28.804
  458   1HB   ALA 299          1HB       ALA 299  -9.604   1.088 -28.577
  459   2HB   ALA 299          2HB       ALA 299  -9.433   0.165 -27.085
  460   3HB   ALA 299          3HB       ALA 299 -10.163   1.770 -27.049
  461    H    CYS 300           H        CYS 300 -12.784   0.604 -25.744
  462    HA   CYS 300           HA       CYS 300 -11.986  -1.767 -24.348
  463   1HB   CYS 300          1HB       CYS 300 -12.563   0.374 -23.206
  464   2HB   CYS 300          2HB       CYS 300 -14.238   0.144 -23.695
  465    HG   CYS 300           HG       CYS 300 -14.428  -2.328 -22.253
  466    H    SER 301           H        SER 301 -14.391  -1.000 -26.629
  467    HA   SER 301           HA       SER 301 -16.421  -2.814 -25.880
  468   1HB   SER 301          1HB       SER 301 -15.934  -2.214 -28.765
  469   2HB   SER 301          2HB       SER 301 -17.450  -2.243 -27.864
  470    HG   SER 301           HG       SER 301 -17.226  -0.194 -27.499
  471    H    ILE 302           H        ILE 302 -13.338  -3.248 -27.334
  472    HA   ILE 302           HA       ILE 302 -13.911  -5.762 -28.596
  473    HB   ILE 302           HB       ILE 302 -11.135  -4.958 -27.820
  474   1HG1  ILE 302          1HG1      ILE 302 -12.456  -3.857 -30.290
  475   2HG1  ILE 302          2HG1      ILE 302 -12.492  -2.969 -28.769
  476   1HG2  ILE 302          1HG2      ILE 302 -10.776  -5.855 -30.196
  477   2HG2  ILE 302          2HG2      ILE 302 -12.425  -6.468 -30.064
  478   3HG2  ILE 302          3HG2      ILE 302 -11.190  -7.008 -28.927
  479   1HD1  ILE 302          1HD1      ILE 302 -10.200  -3.565 -30.568
  480   2HD1  ILE 302          2HD1      ILE 302  -9.905  -3.353 -28.842
  481   3HD1  ILE 302          3HD1      ILE 302 -10.653  -2.056 -29.774
  482    HA   PRO 303           HA       PRO 303 -13.853  -8.253 -24.901
  483   1HB   PRO 303          1HB       PRO 303 -13.103 -10.411 -26.795
  484   2HB   PRO 303          2HB       PRO 303 -14.448 -10.332 -25.652
  485   1HG   PRO 303          1HG       PRO 303 -14.863 -10.053 -28.271
  486   2HG   PRO 303          2HG       PRO 303 -15.773  -9.090 -27.092
  487   1HD   PRO 303          1HD       PRO 303 -13.457  -8.293 -28.811
  488   2HD   PRO 303          2HD       PRO 303 -14.911  -7.369 -28.378
  489    H    GLY 304           H        GLY 304 -12.222  -8.344 -23.501
  490   1HA   GLY 304          1HA       GLY 304 -10.167  -9.457 -22.838
  491   2HA   GLY 304          2HA       GLY 304  -9.583  -9.230 -24.479
  492    H    ILE 305           H        ILE 305 -11.207  -6.482 -23.526
  493    HA   ILE 305           HA       ILE 305  -8.775  -5.238 -22.434
  494    HB   ILE 305           HB       ILE 305 -10.509  -3.648 -24.268
  495   1HG1  ILE 305          1HG1      ILE 305  -8.291  -5.484 -25.206
  496   2HG1  ILE 305          2HG1      ILE 305 -10.007  -5.721 -25.519
  497   1HG2  ILE 305          1HG2      ILE 305  -8.960  -2.159 -23.702
  498   2HG2  ILE 305          2HG2      ILE 305  -7.818  -3.091 -24.672
  499   3HG2  ILE 305          3HG2      ILE 305  -7.959  -3.397 -22.943
  500   1HD1  ILE 305          1HD1      ILE 305  -8.086  -4.101 -26.922
  501   2HD1  ILE 305          2HD1      ILE 305  -9.481  -3.148 -26.413
  502   3HD1  ILE 305          3HD1      ILE 305  -9.711  -4.593 -27.399
  503    H    GLY 306           H        GLY 306  -9.092  -3.939 -20.735
  504   1HA   GLY 306          1HA       GLY 306 -11.884  -3.404 -19.948
  505   2HA   GLY 306          2HA       GLY 306 -10.545  -3.587 -18.825
  506    H    LYS 307           H        LYS 307 -11.304  -1.563 -17.923
  507    HA   LYS 307           HA       LYS 307 -11.174   0.848 -19.456
  508   1HB   LYS 307          1HB       LYS 307 -11.949   0.062 -16.780
  509   2HB   LYS 307          2HB       LYS 307 -10.972   1.522 -16.744
  510   1HG   LYS 307          1HG       LYS 307 -12.632   2.203 -18.710
  511   2HG   LYS 307          2HG       LYS 307 -13.678   1.073 -17.847
  512   1HD   LYS 307          1HD       LYS 307 -14.180   3.055 -16.785
  513   2HD   LYS 307          2HD       LYS 307 -12.906   2.420 -15.743
  514   1HE   LYS 307          1HE       LYS 307 -11.578   4.155 -16.182
  515   2HE   LYS 307          2HE       LYS 307 -11.807   3.969 -17.920
  516   1HZ   LYS 307          1HZ       LYS 307 -13.584   5.410 -17.930
  517   2HZ   LYS 307          2HZ       LYS 307 -12.588   6.122 -16.764
  518   3HZ   LYS 307          3HZ       LYS 307 -13.923   5.200 -16.285
  519    H    ARG 308           H        ARG 308  -9.008  -0.862 -17.273
  520    HA   ARG 308           HA       ARG 308  -7.073   1.165 -16.991
  521   1HB   ARG 308          1HB       ARG 308  -7.425  -1.394 -15.999
  522   2HB   ARG 308          2HB       ARG 308  -5.983  -1.543 -16.995
  523   1HG   ARG 308          1HG       ARG 308  -4.729  -0.435 -15.528
  524   2HG   ARG 308          2HG       ARG 308  -5.945   0.826 -15.311
  525   1HD   ARG 308          1HD       ARG 308  -6.572  -1.804 -14.129
  526   2HD   ARG 308          2HD       ARG 308  -5.238  -0.920 -13.387
  527    HE   ARG 308           HE       ARG 308  -6.736   0.739 -12.709
  528   1HH1  ARG 308          1HH1      ARG 308  -8.326  -1.744 -14.565
  529   2HH1  ARG 308          2HH1      ARG 308  -9.919  -1.267 -14.080
  530   1HH2  ARG 308          1HH2      ARG 308  -8.828   1.375 -12.067
  531   2HH2  ARG 308          2HH2      ARG 308 -10.204   0.506 -12.659
  532    H    MET 309           H        MET 309  -7.321  -1.554 -19.261
  533    HA   MET 309           HA       MET 309  -4.926  -0.906 -20.660
  534   1HB   MET 309          1HB       MET 309  -6.879  -2.982 -20.710
  535   2HB   MET 309          2HB       MET 309  -6.715  -2.351 -22.343
  536   1HG   MET 309          1HG       MET 309  -4.724  -3.287 -22.622
  537   2HG   MET 309          2HG       MET 309  -4.154  -2.763 -21.040
  538   1HE   MET 309          1HE       MET 309  -6.470  -4.889 -19.001
  539   2HE   MET 309          2HE       MET 309  -5.267  -3.600 -18.996
  540   3HE   MET 309          3HE       MET 309  -4.789  -5.256 -18.618
  541    H    ALA 310           H        ALA 310  -8.362  -0.268 -21.218
  542    HA   ALA 310           HA       ALA 310  -8.276   0.877 -23.731
  543   1HB   ALA 310          1HB       ALA 310 -10.020   1.358 -21.347
  544   2HB   ALA 310          2HB       ALA 310 -10.413   0.585 -22.883
  545   3HB   ALA 310          3HB       ALA 310 -10.210   2.336 -22.803
  546    H    GLU 311           H        GLU 311  -7.846   2.499 -20.590
  547    HA   GLU 311           HA       GLU 311  -7.264   5.043 -21.723
  548   1HB   GLU 311          1HB       GLU 311  -6.801   3.872 -18.980
  549   2HB   GLU 311          2HB       GLU 311  -6.366   5.525 -19.392
  550   1HG   GLU 311          1HG       GLU 311  -8.919   5.498 -20.223
  551   2HG   GLU 311          2HG       GLU 311  -9.008   4.319 -18.916
  552    H    LYS 312           H        LYS 312  -5.403   2.205 -21.041
  553    HA   LYS 312           HA       LYS 312  -2.834   3.429 -21.028
  554   1HB   LYS 312          1HB       LYS 312  -3.407   1.136 -20.120
  555   2HB   LYS 312          2HB       LYS 312  -3.465   0.576 -21.786
  556   1HG   LYS 312          1HG       LYS 312  -1.327   0.023 -20.911
  557   2HG   LYS 312          2HG       LYS 312  -1.107   1.352 -22.050
  558   1HD   LYS 312          1HD       LYS 312  -0.109   2.536 -20.455
  559   2HD   LYS 312          2HD       LYS 312  -1.593   2.487 -19.501
  560   1HE   LYS 312          1HE       LYS 312  -0.364  -0.031 -19.227
  561   2HE   LYS 312          2HE       LYS 312   0.907   1.175 -19.032
  562   1HZ   LYS 312          1HZ       LYS 312   0.024   0.851 -16.906
  563   2HZ   LYS 312          2HZ       LYS 312  -1.577   0.863 -17.456
  564   3HZ   LYS 312          3HZ       LYS 312  -0.681   2.297 -17.431
  565    H    ILE 313           H        ILE 313  -4.915   2.060 -23.501
  566    HA   ILE 313           HA       ILE 313  -3.019   2.111 -25.613
  567    HB   ILE 313           HB       ILE 313  -6.039   2.203 -25.756
  568   1HG1  ILE 313          1HG1      ILE 313  -4.515  -0.267 -26.366
  569   2HG1  ILE 313          2HG1      ILE 313  -4.585   0.208 -24.673
  570   1HG2  ILE 313          1HG2      ILE 313  -3.972   1.587 -27.860
  571   2HG2  ILE 313          2HG2      ILE 313  -5.114   2.931 -27.845
  572   3HG2  ILE 313          3HG2      ILE 313  -5.699   1.277 -28.040
  573   1HD1  ILE 313          1HD1      ILE 313  -6.541  -1.125 -26.233
  574   2HD1  ILE 313          2HD1      ILE 313  -7.197   0.429 -25.718
  575   3HD1  ILE 313          3HD1      ILE 313  -6.583  -0.711 -24.520
  576    H    ILE 314           H        ILE 314  -5.357   4.419 -24.357
  577    HA   ILE 314           HA       ILE 314  -5.050   6.328 -26.450
  578    HB   ILE 314           HB       ILE 314  -6.038   6.727 -23.620
  579   1HG1  ILE 314          1HG1      ILE 314  -7.354   5.070 -24.868
  580   2HG1  ILE 314          2HG1      ILE 314  -8.279   6.540 -24.587
  581   1HG2  ILE 314          1HG2      ILE 314  -5.266   8.767 -24.954
  582   2HG2  ILE 314          2HG2      ILE 314  -6.890   8.808 -24.268
  583   3HG2  ILE 314          3HG2      ILE 314  -6.668   8.467 -25.983
  584   1HD1  ILE 314          1HD1      ILE 314  -8.613   5.636 -26.836
  585   2HD1  ILE 314          2HD1      ILE 314  -6.889   5.826 -27.160
  586   3HD1  ILE 314          3HD1      ILE 314  -7.894   7.246 -26.871
  587    H    GLU 315           H        GLU 315  -3.421   5.659 -23.435
  588    HA   GLU 315           HA       GLU 315  -2.040   8.075 -23.094
  589   1HB   GLU 315          1HB       GLU 315  -2.176   5.656 -21.770
  590   2HB   GLU 315          2HB       GLU 315  -0.511   5.716 -22.325
  591   1HG   GLU 315          1HG       GLU 315  -0.848   6.624 -20.053
  592   2HG   GLU 315          2HG       GLU 315  -0.123   7.762 -21.186
  593    H    ILE 316           H        ILE 316  -1.153   5.104 -24.807
  594    HA   ILE 316           HA       ILE 316   1.386   6.038 -25.673
  595    HB   ILE 316           HB       ILE 316  -0.358   3.807 -26.724
  596   1HG1  ILE 316          1HG1      ILE 316   2.188   3.526 -25.151
  597   2HG1  ILE 316          2HG1      ILE 316   0.650   3.781 -24.333
  598   1HG2  ILE 316          1HG2      ILE 316   2.194   4.898 -27.688
  599   2HG2  ILE 316          2HG2      ILE 316   0.982   3.930 -28.527
  600   3HG2  ILE 316          3HG2      ILE 316   2.163   3.147 -27.475
  601   1HD1  ILE 316          1HD1      ILE 316   0.947   1.474 -24.331
  602   2HD1  ILE 316          2HD1      ILE 316   1.525   1.453 -25.997
  603   3HD1  ILE 316          3HD1      ILE 316  -0.179   1.764 -25.658
  604    H    LEU 317           H        LEU 317  -1.857   6.299 -26.899
  605    HA   LEU 317           HA       LEU 317  -1.175   7.050 -29.548
  606   1HB   LEU 317          1HB       LEU 317  -3.630   7.199 -27.869
  607   2HB   LEU 317          2HB       LEU 317  -3.579   8.105 -29.367
  608    HG   LEU 317           HG       LEU 317  -2.916   5.190 -29.383
  609   1HD1  LEU 317          1HD1      LEU 317  -5.212   4.585 -29.650
  610   2HD1  LEU 317          2HD1      LEU 317  -5.720   6.272 -29.568
  611   3HD1  LEU 317          3HD1      LEU 317  -5.055   5.480 -28.139
  612   1HD2  LEU 317          1HD2      LEU 317  -4.520   6.138 -31.547
  613   2HD2  LEU 317          2HD2      LEU 317  -2.868   5.523 -31.576
  614   3HD2  LEU 317          3HD2      LEU 317  -3.164   7.240 -31.302
  615    H    GLU 318           H        GLU 318  -1.205   8.691 -26.544
  616    HA   GLU 318           HA       GLU 318  -0.521  10.740 -25.905
  617   1HB   GLU 318          1HB       GLU 318   0.521  10.480 -28.588
  618   2HB   GLU 318          2HB       GLU 318   0.214  12.158 -28.156
  619   1HG   GLU 318          1HG       GLU 318   1.420  11.190 -25.925
  620   2HG   GLU 318          2HG       GLU 318   2.235  10.295 -27.196
  621    H    SER 319           H        SER 319  -2.648  10.597 -28.699
  622    HA   SER 319           HA       SER 319  -4.462  11.800 -29.319
  623   1HB   SER 319          1HB       SER 319  -5.347  11.148 -27.179
  624   2HB   SER 319          2HB       SER 319  -4.480  12.451 -26.368
  625    HG   SER 319           HG       SER 319  -6.179  13.611 -26.754
  626    H    GLY 320           H        GLY 320  -4.061  13.412 -30.655
  627   1HA   GLY 320          1HA       GLY 320  -3.657  16.077 -29.582
  628   2HA   GLY 320          2HA       GLY 320  -2.326  15.464 -30.552
  629    H    HIS 321           H        HIS 321  -3.879  14.011 -32.434
  630    HA   HIS 321           HA       HIS 321  -5.620  15.993 -33.676
  631   1HB   HIS 321          1HB       HIS 321  -2.930  15.262 -34.638
  632   2HB   HIS 321          2HB       HIS 321  -4.195  15.221 -35.862
  633    HD1  HIS 321           HD1      HIS 321  -5.759  17.701 -34.491
  634    HD2  HIS 321           HD2      HIS 321  -1.791  17.579 -35.717
  635    HE1  HIS 321           HE1      HIS 321  -5.103  20.096 -34.883
  636    HE2  HIS 321           HE2      HIS 321  -2.732  19.988 -35.726
  637    H    LEU 322           H        LEU 322  -5.431  13.066 -32.575
  638    HA   LEU 322           HA       LEU 322  -6.415  11.580 -34.874
  639   1HB   LEU 322          1HB       LEU 322  -5.762  10.855 -32.032
  640   2HB   LEU 322          2HB       LEU 322  -6.649   9.751 -33.065
  641    HG   LEU 322           HG       LEU 322  -4.343   9.111 -33.079
  642   1HD1  LEU 322          1HD1      LEU 322  -3.809   9.841 -35.592
  643   2HD1  LEU 322          2HD1      LEU 322  -5.522  10.260 -35.531
  644   3HD1  LEU 322          3HD1      LEU 322  -5.004   8.611 -35.180
  645   1HD2  LEU 322          1HD2      LEU 322  -3.902  11.971 -33.116
  646   2HD2  LEU 322          2HD2      LEU 322  -2.936  11.140 -34.336
  647   3HD2  LEU 322          3HD2      LEU 322  -2.815  10.666 -32.641
  648    H    ARG 323           H        ARG 323  -7.932  13.853 -33.728
  649    HA   ARG 323           HA       ARG 323 -10.346  12.446 -32.804
  650   1HB   ARG 323          1HB       ARG 323  -9.113  14.574 -31.653
  651   2HB   ARG 323          2HB       ARG 323 -10.281  15.394 -32.678
  652   1HG   ARG 323          1HG       ARG 323 -11.382  15.146 -30.647
  653   2HG   ARG 323          2HG       ARG 323 -12.019  13.833 -31.637
  654   1HD   ARG 323          1HD       ARG 323 -10.520  12.260 -30.571
  655   2HD   ARG 323          2HD       ARG 323  -9.771  13.559 -29.645
  656    HE   ARG 323           HE       ARG 323 -11.986  13.834 -28.555
  657   1HH1  ARG 323          1HH1      ARG 323 -11.143  10.804 -30.057
  658   2HH1  ARG 323          2HH1      ARG 323 -12.222   9.871 -29.077
  659   1HH2  ARG 323          1HH2      ARG 323 -13.409  12.610 -27.258
  660   2HH2  ARG 323          2HH2      ARG 323 -13.510  10.897 -27.489
  661    H    LYS 324           H        LYS 324 -11.398  11.861 -34.631
  662    HA   LYS 324           HA       LYS 324 -11.824  13.879 -36.715
  663   1HB   LYS 324          1HB       LYS 324 -10.958  11.694 -37.439
  664   2HB   LYS 324          2HB       LYS 324 -12.368  10.905 -36.747
  665   1HG   LYS 324          1HG       LYS 324 -13.764  12.306 -38.323
  666   2HG   LYS 324          2HG       LYS 324 -12.251  12.739 -39.121
  667   1HD   LYS 324          1HD       LYS 324 -12.931  10.923 -40.371
  668   2HD   LYS 324          2HD       LYS 324 -11.874  10.157 -39.183
  669   1HE   LYS 324          1HE       LYS 324 -13.964   9.772 -37.795
  670   2HE   LYS 324          2HE       LYS 324 -14.880  10.233 -39.229
  671   1HZ   LYS 324          1HZ       LYS 324 -13.487   7.782 -38.650
  672   2HZ   LYS 324          2HZ       LYS 324 -13.153   8.396 -40.191
  673   3HZ   LYS 324          3HZ       LYS 324 -14.750   8.078 -39.737
  674    H    LEU 325           H        LEU 325 -13.573  15.091 -36.401
  675    HA   LEU 325           HA       LEU 325 -15.820  14.195 -34.866
  676   1HB   LEU 325          1HB       LEU 325 -14.817  16.677 -35.879
  677   2HB   LEU 325          2HB       LEU 325 -16.496  16.512 -36.351
  678    HG   LEU 325           HG       LEU 325 -16.310  17.733 -34.258
  679   1HD1  LEU 325          1HD1      LEU 325 -17.940  15.524 -34.721
  680   2HD1  LEU 325          2HD1      LEU 325 -18.210  16.824 -33.561
  681   3HD1  LEU 325          3HD1      LEU 325 -17.389  15.347 -33.055
  682   1HD2  LEU 325          1HD2      LEU 325 -15.610  15.914 -32.326
  683   2HD2  LEU 325          2HD2      LEU 325 -14.584  17.208 -32.943
  684   3HD2  LEU 325          3HD2      LEU 325 -14.451  15.583 -33.614
  685    H    ASP 326           H        ASP 326 -17.762  13.459 -35.543
  686    HA   ASP 326           HA       ASP 326 -17.975  12.537 -38.262
  687   1HB   ASP 326          1HB       ASP 326 -18.843  10.992 -36.747
  688   2HB   ASP 326          2HB       ASP 326 -19.633  12.232 -35.780
  689    H    HIS 327           H        HIS 327 -19.428  13.197 -39.821
  690    HA   HIS 327           HA       HIS 327 -20.924  15.669 -39.240
  691   1HB   HIS 327          1HB       HIS 327 -20.486  16.118 -41.777
  692   2HB   HIS 327          2HB       HIS 327 -19.232  16.486 -40.599
  693    HD1  HIS 327           HD1      HIS 327 -16.996  15.589 -41.152
  694    HD2  HIS 327           HD2      HIS 327 -20.030  13.418 -42.985
  695    HE1  HIS 327           HE1      HIS 327 -15.830  13.884 -42.589
  696    HE2  HIS 327           HE2      HIS 327 -17.686  12.552 -43.653
  Start of MODEL    3
    1    HA   ALA 242           HA       ALA 242 -16.973  18.474 -22.515
    2   1HB   ALA 242          1HB       ALA 242 -18.388  20.985 -23.264
    3   2HB   ALA 242          2HB       ALA 242 -17.467  20.946 -21.760
    4   3HB   ALA 242          3HB       ALA 242 -18.778  19.795 -22.021
    5    H    GLN 243           H        GLN 243 -19.352  18.933 -23.950
    6    HA   GLN 243           HA       GLN 243 -20.362  18.287 -25.883
    7   1HB   GLN 243          1HB       GLN 243 -19.536  20.492 -26.615
    8   2HB   GLN 243          2HB       GLN 243 -18.037  19.746 -27.151
    9   1HG   GLN 243          1HG       GLN 243 -19.057  19.704 -29.141
   10   2HG   GLN 243          2HG       GLN 243 -19.831  18.255 -28.503
   11   1HE2  GLN 243          1HE2      GLN 243 -20.222  21.614 -29.278
   12   2HE2  GLN 243          2HE2      GLN 243 -21.945  21.655 -29.157
   13    HA   PRO 244           HA       PRO 244 -17.587  14.681 -26.538
   14   1HB   PRO 244          1HB       PRO 244 -19.361  12.768 -25.927
   15   2HB   PRO 244          2HB       PRO 244 -18.520  13.682 -24.668
   16   1HG   PRO 244          1HG       PRO 244 -21.299  14.023 -25.721
   17   2HG   PRO 244          2HG       PRO 244 -20.719  14.090 -24.048
   18   1HD   PRO 244          1HD       PRO 244 -21.220  16.302 -25.604
   19   2HD   PRO 244          2HD       PRO 244 -20.098  16.283 -24.229
   20    H    SER 245           H        SER 245 -18.721  16.118 -28.651
   21    HA   SER 245           HA       SER 245 -20.552  14.650 -30.208
   22   1HB   SER 245          1HB       SER 245 -19.982  17.066 -30.542
   23   2HB   SER 245          2HB       SER 245 -18.431  16.561 -31.212
   24    HG   SER 245           HG       SER 245 -20.604  15.310 -32.333
   25    H    SER 246           H        SER 246 -20.015  13.723 -32.384
   26    HA   SER 246           HA       SER 246 -17.466  12.250 -32.325
   27   1HB   SER 246          1HB       SER 246 -20.144  11.108 -33.160
   28   2HB   SER 246          2HB       SER 246 -18.604  10.251 -33.139
   29    HG   SER 246           HG       SER 246 -20.173  10.095 -31.249
   30    H    GLN 247           H        GLN 247 -16.317  13.031 -33.964
   31    HA   GLN 247           HA       GLN 247 -17.561  14.059 -36.352
   32   1HB   GLN 247          1HB       GLN 247 -15.319  14.760 -35.093
   33   2HB   GLN 247          2HB       GLN 247 -14.624  13.593 -36.208
   34   1HG   GLN 247          1HG       GLN 247 -15.551  14.828 -38.093
   35   2HG   GLN 247          2HG       GLN 247 -16.266  15.994 -36.980
   36   1HE2  GLN 247          1HE2      GLN 247 -15.047  17.583 -38.162
   37   2HE2  GLN 247          2HE2      GLN 247 -13.380  17.842 -37.785
   38    H    LYS 248           H        LYS 248 -16.973  11.018 -35.330
   39    HA   LYS 248           HA       LYS 248 -16.749   8.980 -36.312
   40   1HB   LYS 248          1HB       LYS 248 -18.716  10.140 -37.600
   41   2HB   LYS 248          2HB       LYS 248 -17.574  10.161 -38.937
   42   1HG   LYS 248          1HG       LYS 248 -18.379   8.140 -39.414
   43   2HG   LYS 248          2HG       LYS 248 -17.385   7.580 -38.067
   44   1HD   LYS 248          1HD       LYS 248 -20.142   8.612 -37.548
   45   2HD   LYS 248          2HD       LYS 248 -19.924   6.972 -38.164
   46   1HE   LYS 248          1HE       LYS 248 -19.902   6.595 -35.898
   47   2HE   LYS 248          2HE       LYS 248 -18.179   6.796 -36.222
   48   1HZ   LYS 248          1HZ       LYS 248 -19.567   9.253 -35.624
   49   2HZ   LYS 248          2HZ       LYS 248 -18.100   8.666 -35.024
   50   3HZ   LYS 248          3HZ       LYS 248 -19.559   8.143 -34.346
   51    H    ALA 249           H        ALA 249 -14.418   9.223 -36.057
   52    HA   ALA 249           HA       ALA 249 -12.720  10.190 -38.068
   53   1HB   ALA 249          1HB       ALA 249 -11.319   8.156 -36.775
   54   2HB   ALA 249          2HB       ALA 249 -12.450   8.778 -35.572
   55   3HB   ALA 249          3HB       ALA 249 -11.322   9.873 -36.372
   56    H    THR 250           H        THR 250 -11.973   9.356 -39.916
   57    HA   THR 250           HA       THR 250 -12.801   6.616 -40.614
   58    HB   THR 250           HB       THR 250 -11.932   8.434 -42.780
   59    HG1  THR 250           HG1      THR 250 -13.968   9.081 -41.023
   60   1HG2  THR 250          1HG2      THR 250 -12.738   6.430 -43.589
   61   2HG2  THR 250          2HG2      THR 250 -14.187   7.433 -43.667
   62   3HG2  THR 250          3HG2      THR 250 -13.971   6.298 -42.334
   63    H    ASN 251           H        ASN 251 -10.254   7.873 -39.324
   64    HA   ASN 251           HA       ASN 251  -8.218   7.031 -41.219
   65   1HB   ASN 251          1HB       ASN 251  -8.169   8.386 -38.541
   66   2HB   ASN 251          2HB       ASN 251  -6.701   7.680 -39.208
   67   1HD2  ASN 251          1HD2      ASN 251  -7.777  10.499 -38.705
   68   2HD2  ASN 251          2HD2      ASN 251  -7.429  11.329 -40.179
   69    H    HIS 252           H        HIS 252  -7.585   4.996 -41.340
   70    HA   HIS 252           HA       HIS 252  -7.704   3.332 -38.913
   71   1HB   HIS 252          1HB       HIS 252  -8.026   1.386 -40.404
   72   2HB   HIS 252          2HB       HIS 252  -9.326   2.563 -40.556
   73    HD1  HIS 252           HD1      HIS 252  -7.167   4.323 -42.446
   74    HD2  HIS 252           HD2      HIS 252  -8.802   0.550 -43.044
   75    HE1  HIS 252           HE1      HIS 252  -7.031   3.915 -44.923
   76    HE2  HIS 252           HE2      HIS 252  -7.942   1.591 -45.250
   77    H    ASN 253           H        ASN 253  -5.501   4.898 -39.370
   78    HA   ASN 253           HA       ASN 253  -3.458   2.881 -40.002
   79   1HB   ASN 253          1HB       ASN 253  -3.579   5.744 -40.930
   80   2HB   ASN 253          2HB       ASN 253  -2.078   4.824 -40.916
   81   1HD2  ASN 253          1HD2      ASN 253  -4.666   5.717 -42.756
   82   2HD2  ASN 253          2HD2      ASN 253  -4.580   4.496 -43.976
   83    H    LEU 254           H        LEU 254  -3.923   2.906 -37.512
   84    HA   LEU 254           HA       LEU 254  -2.163   4.884 -36.256
   85   1HB   LEU 254          1HB       LEU 254  -4.130   3.281 -34.699
   86   2HB   LEU 254          2HB       LEU 254  -3.521   4.896 -34.406
   87    HG   LEU 254           HG       LEU 254  -4.968   4.973 -36.848
   88   1HD1  LEU 254          1HD1      LEU 254  -5.959   2.845 -35.725
   89   2HD1  LEU 254          2HD1      LEU 254  -7.039   4.060 -36.408
   90   3HD1  LEU 254          3HD1      LEU 254  -6.765   4.002 -34.667
   91   1HD2  LEU 254          1HD2      LEU 254  -5.589   6.044 -34.095
   92   2HD2  LEU 254          2HD2      LEU 254  -6.371   6.554 -35.592
   93   3HD2  LEU 254          3HD2      LEU 254  -4.650   6.853 -35.351
   94    H    HIS 255           H        HIS 255  -0.295   4.138 -35.628
   95    HA   HIS 255           HA       HIS 255   0.435   1.420 -35.706
   96   1HB   HIS 255          1HB       HIS 255   2.516   2.342 -34.446
   97   2HB   HIS 255          2HB       HIS 255   2.206   2.860 -36.099
   98    HD1  HIS 255           HD1      HIS 255   2.440   5.295 -36.418
   99    HD2  HIS 255           HD2      HIS 255   1.300   4.357 -32.533
  100    HE1  HIS 255           HE1      HIS 255   2.331   7.492 -35.200
  101    HE2  HIS 255           HE2      HIS 255   1.654   6.899 -32.846
  102    H    ILE 256           H        ILE 256  -1.521   2.770 -33.468
  103    HA   ILE 256           HA       ILE 256  -0.570   2.217 -30.966
  104    HB   ILE 256           HB       ILE 256  -3.091   1.306 -30.661
  105   1HG1  ILE 256          1HG1      ILE 256  -3.464   3.310 -32.844
  106   2HG1  ILE 256          2HG1      ILE 256  -3.226   1.617 -33.268
  107   1HG2  ILE 256          1HG2      ILE 256  -2.430   3.111 -29.385
  108   2HG2  ILE 256          2HG2      ILE 256  -3.664   3.818 -30.428
  109   3HG2  ILE 256          3HG2      ILE 256  -1.956   4.062 -30.793
  110   1HD1  ILE 256          1HD1      ILE 256  -5.338   1.160 -32.812
  111   2HD1  ILE 256          2HD1      ILE 256  -5.609   2.883 -32.551
  112   3HD1  ILE 256          3HD1      ILE 256  -5.186   1.840 -31.192
  113    H    THR 257           H        THR 257  -2.236  -0.137 -33.076
  114    HA   THR 257           HA       THR 257  -2.018  -2.329 -31.361
  115    HB   THR 257           HB       THR 257  -2.881  -1.888 -34.026
  116    HG1  THR 257           HG1      THR 257  -4.256  -3.486 -33.473
  117   1HG2  THR 257          1HG2      THR 257  -1.216  -4.385 -33.732
  118   2HG2  THR 257          2HG2      THR 257  -0.820  -3.006 -34.759
  119   3HG2  THR 257          3HG2      THR 257  -2.248  -3.982 -35.104
  120    H    GLU 258           H        GLU 258   0.190  -1.069 -33.794
  121    HA   GLU 258           HA       GLU 258   2.029  -3.180 -33.773
  122   1HB   GLU 258          1HB       GLU 258   2.754  -0.290 -34.232
  123   2HB   GLU 258          2HB       GLU 258   3.526  -1.718 -34.907
  124   1HG   GLU 258          1HG       GLU 258   0.663  -1.156 -35.523
  125   2HG   GLU 258          2HG       GLU 258   1.936  -0.275 -36.366
  126    H    LYS 259           H        LYS 259   2.073  -0.090 -32.022
  127    HA   LYS 259           HA       LYS 259   4.422  -0.455 -30.576
  128   1HB   LYS 259          1HB       LYS 259   1.963   1.196 -30.248
  129   2HB   LYS 259          2HB       LYS 259   3.029   1.050 -28.859
  130   1HG   LYS 259          1HG       LYS 259   4.074   1.845 -31.552
  131   2HG   LYS 259          2HG       LYS 259   3.368   3.026 -30.445
  132   1HD   LYS 259          1HD       LYS 259   5.052   2.736 -28.867
  133   2HD   LYS 259          2HD       LYS 259   5.521   1.162 -29.514
  134   1HE   LYS 259          1HE       LYS 259   7.234   2.635 -30.167
  135   2HE   LYS 259          2HE       LYS 259   6.241   2.407 -31.607
  136   1HZ   LYS 259          1HZ       LYS 259   6.596   4.782 -29.949
  137   2HZ   LYS 259          2HZ       LYS 259   5.057   4.530 -30.603
  138   3HZ   LYS 259          3HZ       LYS 259   6.399   4.652 -31.624
  139    H    LEU 260           H        LEU 260   1.343  -1.962 -30.180
  140    HA   LEU 260           HA       LEU 260   1.791  -2.708 -27.430
  141   1HB   LEU 260          1HB       LEU 260  -0.414  -2.704 -29.225
  142   2HB   LEU 260          2HB       LEU 260  -0.191  -4.349 -28.658
  143    HG   LEU 260           HG       LEU 260  -0.069  -3.159 -26.296
  144   1HD1  LEU 260          1HD1      LEU 260  -0.267  -0.904 -27.474
  145   2HD1  LEU 260          2HD1      LEU 260  -1.318  -1.194 -26.086
  146   3HD1  LEU 260          3HD1      LEU 260  -1.962  -1.322 -27.723
  147   1HD2  LEU 260          1HD2      LEU 260  -1.798  -4.792 -27.419
  148   2HD2  LEU 260          2HD2      LEU 260  -2.807  -3.346 -27.442
  149   3HD2  LEU 260          3HD2      LEU 260  -2.178  -3.957 -25.913
  150    H    GLU 261           H        GLU 261   2.405  -4.041 -30.584
  151    HA   GLU 261           HA       GLU 261   2.857  -6.724 -29.674
  152   1HB   GLU 261          1HB       GLU 261   2.879  -5.274 -32.204
  153   2HB   GLU 261          2HB       GLU 261   4.193  -6.433 -32.086
  154   1HG   GLU 261          1HG       GLU 261   1.926  -7.773 -31.154
  155   2HG   GLU 261          2HG       GLU 261   1.404  -6.878 -32.580
  156    H    VAL 262           H        VAL 262   4.771  -3.858 -30.271
  157    HA   VAL 262           HA       VAL 262   7.295  -5.141 -29.922
  158    HB   VAL 262           HB       VAL 262   7.783  -2.498 -29.565
  159   1HG1  VAL 262          1HG1      VAL 262   8.427  -2.464 -31.884
  160   2HG1  VAL 262          2HG1      VAL 262   7.344  -3.815 -32.225
  161   3HG1  VAL 262          3HG1      VAL 262   8.771  -4.061 -31.218
  162   1HG2  VAL 262          1HG2      VAL 262   6.374  -1.127 -30.788
  163   2HG2  VAL 262          2HG2      VAL 262   5.285  -2.134 -29.835
  164   3HG2  VAL 262          3HG2      VAL 262   5.554  -2.496 -31.539
  165    H    LEU 263           H        LEU 263   4.908  -3.693 -27.902
  166    HA   LEU 263           HA       LEU 263   6.596  -3.104 -25.678
  167   1HB   LEU 263          1HB       LEU 263   3.856  -2.763 -26.382
  168   2HB   LEU 263          2HB       LEU 263   3.919  -3.582 -24.834
  169    HG   LEU 263           HG       LEU 263   5.338  -1.771 -23.946
  170   1HD1  LEU 263          1HD1      LEU 263   5.872   0.160 -25.154
  171   2HD1  LEU 263          2HD1      LEU 263   4.739  -0.231 -26.449
  172   3HD1  LEU 263          3HD1      LEU 263   6.222  -1.168 -26.262
  173   1HD2  LEU 263          1HD2      LEU 263   3.595  -0.058 -23.843
  174   2HD2  LEU 263          2HD2      LEU 263   2.922  -1.675 -23.641
  175   3HD2  LEU 263          3HD2      LEU 263   2.751  -0.836 -25.182
  176    H    ALA 264           H        ALA 264   4.282  -5.726 -26.363
  177    HA   ALA 264           HA       ALA 264   4.729  -7.202 -24.022
  178   1HB   ALA 264          1HB       ALA 264   3.655  -7.870 -26.730
  179   2HB   ALA 264          2HB       ALA 264   2.833  -7.848 -25.170
  180   3HB   ALA 264          3HB       ALA 264   3.949  -9.156 -25.559
  181    H    LYS 265           H        LYS 265   6.307  -7.340 -27.191
  182    HA   LYS 265           HA       LYS 265   7.930  -9.582 -26.678
  183   1HB   LYS 265          1HB       LYS 265   7.437  -8.367 -28.911
  184   2HB   LYS 265          2HB       LYS 265   8.774  -7.315 -28.465
  185   1HG   LYS 265          1HG       LYS 265  10.080  -9.539 -28.158
  186   2HG   LYS 265          2HG       LYS 265   8.802 -10.214 -29.171
  187   1HD   LYS 265          1HD       LYS 265   9.474  -9.066 -31.022
  188   2HD   LYS 265          2HD       LYS 265  10.078  -7.697 -30.086
  189   1HE   LYS 265          1HE       LYS 265  11.993  -9.085 -29.366
  190   2HE   LYS 265          2HE       LYS 265  11.402 -10.390 -30.393
  191   1HZ   LYS 265          1HZ       LYS 265  11.558  -8.055 -31.931
  192   2HZ   LYS 265          2HZ       LYS 265  12.457  -9.478 -32.094
  193   3HZ   LYS 265          3HZ       LYS 265  13.026  -8.229 -31.106
  194    H    ALA 266           H        ALA 266   8.260  -6.204 -25.878
  195    HA   ALA 266           HA       ALA 266  11.002  -6.127 -25.294
  196   1HB   ALA 266          1HB       ALA 266   8.905  -4.330 -25.223
  197   2HB   ALA 266          2HB       ALA 266  10.578  -4.000 -24.773
  198   3HB   ALA 266          3HB       ALA 266   9.405  -4.455 -23.537
  199    H    TYR 267           H        TYR 267   8.206  -6.754 -23.190
  200    HA   TYR 267           HA       TYR 267   9.713  -7.193 -20.839
  201   1HB   TYR 267          1HB       TYR 267   6.934  -8.042 -21.653
  202   2HB   TYR 267          2HB       TYR 267   7.602  -8.375 -20.062
  203    HD1  TYR 267           HD1      TYR 267   7.514  -6.754 -18.366
  204    HD2  TYR 267           HD2      TYR 267   6.758  -5.609 -22.392
  205    HE1  TYR 267           HE1      TYR 267   6.788  -4.536 -17.592
  206    HE2  TYR 267           HE2      TYR 267   6.030  -3.387 -21.631
  207    HH   TYR 267           HH       TYR 267   6.656  -2.179 -18.618
  208    H    SER 268           H        SER 268   8.604  -9.293 -23.428
  209    HA   SER 268           HA       SER 268   9.177 -11.771 -22.260
  210   1HB   SER 268          1HB       SER 268   8.401 -12.532 -24.223
  211   2HB   SER 268          2HB       SER 268   8.266 -10.854 -24.750
  212    HG   SER 268           HG       SER 268   9.612 -12.435 -26.029
  213    H    VAL 269           H        VAL 269  11.229  -9.374 -23.728
  214    HA   VAL 269           HA       VAL 269  13.521 -11.177 -23.792
  215    HB   VAL 269           HB       VAL 269  13.410  -8.236 -24.484
  216   1HG1  VAL 269          1HG1      VAL 269  15.555 -10.187 -24.339
  217   2HG1  VAL 269          2HG1      VAL 269  15.631  -8.433 -24.506
  218   3HG1  VAL 269          3HG1      VAL 269  15.427  -9.447 -25.934
  219   1HG2  VAL 269          1HG2      VAL 269  13.440 -10.501 -26.454
  220   2HG2  VAL 269          2HG2      VAL 269  13.055  -8.802 -26.728
  221   3HG2  VAL 269          3HG2      VAL 269  11.931  -9.828 -25.837
  222    H    GLN 270           H        GLN 270  12.110  -8.797 -21.743
  223    HA   GLN 270           HA       GLN 270  14.548  -8.215 -20.300
  224   1HB   GLN 270          1HB       GLN 270  11.786  -7.228 -20.315
  225   2HB   GLN 270          2HB       GLN 270  12.501  -7.311 -18.711
  226   1HG   GLN 270          1HG       GLN 270  14.391  -6.167 -20.497
  227   2HG   GLN 270          2HG       GLN 270  12.850  -5.332 -20.683
  228   1HE2  GLN 270          1HE2      GLN 270  11.961  -5.710 -18.004
  229   2HE2  GLN 270          2HE2      GLN 270  12.925  -4.698 -16.989
  230    H    GLY 271           H        GLY 271  11.945 -10.485 -20.109
  231   1HA   GLY 271          1HA       GLY 271  12.424 -12.524 -18.834
  232   2HA   GLY 271          2HA       GLY 271  13.080 -11.492 -17.573
  233    H    ASP 272           H        ASP 272  10.345 -10.083 -18.898
  234    HA   ASP 272           HA       ASP 272   8.786 -10.825 -16.550
  235   1HB   ASP 272          1HB       ASP 272   8.786  -8.569 -18.474
  236   2HB   ASP 272          2HB       ASP 272   7.219  -9.031 -17.816
  237    H    LYS 273           H        LYS 273   8.373 -13.002 -17.286
  238    HA   LYS 273           HA       LYS 273   6.949 -13.550 -19.679
  239   1HB   LYS 273          1HB       LYS 273   8.322 -15.164 -18.228
  240   2HB   LYS 273          2HB       LYS 273   6.893 -15.272 -17.209
  241   1HG   LYS 273          1HG       LYS 273   5.619 -16.267 -18.917
  242   2HG   LYS 273          2HG       LYS 273   6.801 -15.837 -20.155
  243   1HD   LYS 273          1HD       LYS 273   7.096 -18.150 -19.736
  244   2HD   LYS 273          2HD       LYS 273   8.437 -17.327 -18.933
  245   1HE   LYS 273          1HE       LYS 273   7.771 -17.986 -16.897
  246   2HE   LYS 273          2HE       LYS 273   6.076 -17.646 -17.243
  247   1HZ   LYS 273          1HZ       LYS 273   5.773 -19.742 -18.182
  248   2HZ   LYS 273          2HZ       LYS 273   6.734 -20.050 -16.823
  249   3HZ   LYS 273          3HZ       LYS 273   7.433 -20.021 -18.364
  250    H    TRP 274           H        TRP 274   5.994 -12.754 -16.408
  251    HA   TRP 274           HA       TRP 274   3.275 -13.484 -16.604
  252   1HB   TRP 274          1HB       TRP 274   4.650 -11.444 -14.852
  253   2HB   TRP 274          2HB       TRP 274   2.979 -11.950 -14.651
  254    HD1  TRP 274           HD1      TRP 274   5.958 -12.480 -12.951
  255    HE1  TRP 274           HE1      TRP 274   6.165 -14.820 -11.892
  256    HE3  TRP 274           HE3      TRP 274   2.324 -14.885 -15.610
  257    HZ2  TRP 274           HZ2      TRP 274   4.939 -17.350 -12.154
  258    HZ3  TRP 274           HZ3      TRP 274   1.900 -17.264 -15.147
  259    HH2  TRP 274           HH2      TRP 274   3.182 -18.470 -13.454
  260    H    ARG 275           H        ARG 275   4.882 -10.328 -16.942
  261    HA   ARG 275           HA       ARG 275   2.550  -8.902 -17.654
  262   1HB   ARG 275          1HB       ARG 275   5.144  -8.241 -17.028
  263   2HB   ARG 275          2HB       ARG 275   5.059  -7.849 -18.740
  264   1HG   ARG 275          1HG       ARG 275   3.913  -5.999 -18.329
  265   2HG   ARG 275          2HG       ARG 275   2.727  -6.878 -17.362
  266   1HD   ARG 275          1HD       ARG 275   5.331  -5.669 -16.463
  267   2HD   ARG 275          2HD       ARG 275   3.700  -5.257 -15.935
  268    HE   ARG 275           HE       ARG 275   3.691  -7.618 -14.994
  269   1HH1  ARG 275          1HH1      ARG 275   6.577  -5.689 -15.304
  270   2HH1  ARG 275          2HH1      ARG 275   7.391  -6.464 -13.986
  271   1HH2  ARG 275          1HH2      ARG 275   4.756  -8.643 -13.259
  272   2HH2  ARG 275          2HH2      ARG 275   6.355  -8.143 -12.824
  273    H    ALA 276           H        ALA 276   5.121 -10.381 -19.593
  274    HA   ALA 276           HA       ALA 276   4.219  -9.490 -22.102
  275   1HB   ALA 276          1HB       ALA 276   5.663 -12.089 -21.726
  276   2HB   ALA 276          2HB       ALA 276   6.471 -10.544 -21.455
  277   3HB   ALA 276          3HB       ALA 276   5.798 -10.921 -23.040
  278    H    LEU 277           H        LEU 277   3.025 -11.940 -20.008
  279    HA   LEU 277           HA       LEU 277   1.762 -13.539 -22.013
  280   1HB   LEU 277          1HB       LEU 277   1.863 -14.874 -20.216
  281   2HB   LEU 277          2HB       LEU 277   2.004 -13.522 -19.111
  282    HG   LEU 277           HG       LEU 277  -0.539 -13.257 -19.419
  283   1HD1  LEU 277          1HD1      LEU 277  -0.024 -15.885 -20.732
  284   2HD1  LEU 277          2HD1      LEU 277  -1.147 -14.602 -21.183
  285   3HD1  LEU 277          3HD1      LEU 277  -1.510 -15.650 -19.811
  286   1HD2  LEU 277          1HD2      LEU 277   0.991 -14.515 -17.558
  287   2HD2  LEU 277          2HD2      LEU 277  -0.115 -15.804 -18.031
  288   3HD2  LEU 277          3HD2      LEU 277  -0.751 -14.274 -17.430
  289    H    GLY 278           H        GLY 278   0.506 -11.200 -19.618
  290   1HA   GLY 278          1HA       GLY 278  -2.118 -11.194 -20.748
  291   2HA   GLY 278          2HA       GLY 278  -1.499 -10.056 -19.560
  292    H    TYR 279           H        TYR 279   0.795  -9.412 -21.367
  293    HA   TYR 279           HA       TYR 279  -0.372  -7.180 -22.660
  294   1HB   TYR 279          1HB       TYR 279   2.301  -8.249 -22.223
  295   2HB   TYR 279          2HB       TYR 279   2.130  -7.546 -23.829
  296    HD1  TYR 279           HD1      TYR 279   0.730  -6.565 -20.501
  297    HD2  TYR 279           HD2      TYR 279   3.134  -5.466 -23.835
  298    HE1  TYR 279           HE1      TYR 279   1.022  -4.318 -19.543
  299    HE2  TYR 279           HE2      TYR 279   3.433  -3.218 -22.885
  300    HH   TYR 279           HH       TYR 279   1.734  -2.215 -19.961
  301    H    ALA 280           H        ALA 280   0.868 -10.285 -23.836
  302    HA   ALA 280           HA       ALA 280   0.427  -9.772 -26.585
  303   1HB   ALA 280          1HB       ALA 280   1.052 -12.140 -24.929
  304   2HB   ALA 280          2HB       ALA 280   1.819 -11.553 -26.405
  305   3HB   ALA 280          3HB       ALA 280   0.302 -12.448 -26.495
  306    H    LYS 281           H        LYS 281  -1.589 -10.864 -23.975
  307    HA   LYS 281           HA       LYS 281  -3.702 -11.964 -25.488
  308   1HB   LYS 281          1HB       LYS 281  -3.169 -11.986 -22.895
  309   2HB   LYS 281          2HB       LYS 281  -4.228 -10.583 -22.888
  310   1HG   LYS 281          1HG       LYS 281  -5.066 -13.171 -24.149
  311   2HG   LYS 281          2HG       LYS 281  -5.254 -12.876 -22.419
  312   1HD   LYS 281          1HD       LYS 281  -6.241 -10.763 -24.235
  313   2HD   LYS 281          2HD       LYS 281  -7.142 -12.281 -24.230
  314   1HE   LYS 281          1HE       LYS 281  -6.492 -10.599 -21.812
  315   2HE   LYS 281          2HE       LYS 281  -8.058 -10.687 -22.617
  316   1HZ   LYS 281          1HZ       LYS 281  -6.872 -13.202 -21.727
  317   2HZ   LYS 281          2HZ       LYS 281  -8.492 -12.719 -21.749
  318   3HZ   LYS 281          3HZ       LYS 281  -7.463 -12.166 -20.527
  319    H    ALA 282           H        ALA 282  -3.105  -8.710 -24.215
  320    HA   ALA 282           HA       ALA 282  -5.509  -7.522 -25.007
  321   1HB   ALA 282          1HB       ALA 282  -3.648  -6.572 -23.520
  322   2HB   ALA 282          2HB       ALA 282  -4.493  -5.456 -24.592
  323   3HB   ALA 282          3HB       ALA 282  -2.891  -6.054 -25.027
  324    H    ILE 283           H        ILE 283  -2.395  -7.743 -26.713
  325    HA   ILE 283           HA       ILE 283  -3.096  -6.347 -29.022
  326    HB   ILE 283           HB       ILE 283  -1.264  -8.745 -28.964
  327   1HG1  ILE 283          1HG1      ILE 283  -0.285  -5.944 -28.571
  328   2HG1  ILE 283          2HG1      ILE 283  -0.930  -6.827 -27.190
  329   1HG2  ILE 283          1HG2      ILE 283  -1.004  -8.244 -31.113
  330   2HG2  ILE 283          2HG2      ILE 283  -0.238  -6.740 -30.603
  331   3HG2  ILE 283          3HG2      ILE 283  -1.967  -6.776 -30.949
  332   1HD1  ILE 283          1HD1      ILE 283   1.438  -7.090 -27.225
  333   2HD1  ILE 283          2HD1      ILE 283   1.407  -7.602 -28.912
  334   3HD1  ILE 283          3HD1      ILE 283   0.707  -8.633 -27.666
  335    H    ASN 284           H        ASN 284  -3.823  -9.621 -28.039
  336    HA   ASN 284           HA       ASN 284  -4.574 -10.657 -30.550
  337   1HB   ASN 284          1HB       ASN 284  -4.511 -11.583 -27.900
  338   2HB   ASN 284          2HB       ASN 284  -6.195 -11.717 -28.396
  339   1HD2  ASN 284          1HD2      ASN 284  -3.323 -13.286 -28.291
  340   2HD2  ASN 284          2HD2      ASN 284  -3.575 -14.445 -29.548
  341    H    ALA 285           H        ALA 285  -6.315  -8.828 -28.097
  342    HA   ALA 285           HA       ALA 285  -8.887  -9.053 -29.250
  343   1HB   ALA 285          1HB       ALA 285  -9.405  -8.110 -27.310
  344   2HB   ALA 285          2HB       ALA 285  -8.717  -6.590 -27.881
  345   3HB   ALA 285          3HB       ALA 285  -7.706  -7.743 -27.008
  346    H    LEU 286           H        LEU 286  -6.349  -6.584 -29.541
  347    HA   LEU 286           HA       LEU 286  -7.886  -4.999 -31.383
  348   1HB   LEU 286          1HB       LEU 286  -5.295  -4.143 -31.691
  349   2HB   LEU 286          2HB       LEU 286  -6.460  -3.496 -30.556
  350    HG   LEU 286           HG       LEU 286  -4.930  -5.820 -29.588
  351   1HD1  LEU 286          1HD1      LEU 286  -3.375  -4.244 -30.984
  352   2HD1  LEU 286          2HD1      LEU 286  -2.867  -4.834 -29.402
  353   3HD1  LEU 286          3HD1      LEU 286  -3.511  -3.201 -29.570
  354   1HD2  LEU 286          1HD2      LEU 286  -4.721  -3.829 -27.758
  355   2HD2  LEU 286          2HD2      LEU 286  -6.059  -4.975 -27.837
  356   3HD2  LEU 286          3HD2      LEU 286  -6.217  -3.383 -28.577
  357    H    LYS 287           H        LYS 287  -5.857  -7.728 -31.631
  358    HA   LYS 287           HA       LYS 287  -4.690  -7.435 -34.132
  359   1HB   LYS 287          1HB       LYS 287  -4.859  -9.444 -32.252
  360   2HB   LYS 287          2HB       LYS 287  -5.701 -10.134 -33.632
  361   1HG   LYS 287          1HG       LYS 287  -3.720 -10.698 -34.445
  362   2HG   LYS 287          2HG       LYS 287  -3.409  -8.981 -34.707
  363   1HD   LYS 287          1HD       LYS 287  -2.288  -8.771 -32.635
  364   2HD   LYS 287          2HD       LYS 287  -2.865 -10.343 -32.079
  365   1HE   LYS 287          1HE       LYS 287  -0.553 -10.538 -32.702
  366   2HE   LYS 287          2HE       LYS 287  -1.535 -11.411 -33.877
  367   1HZ   LYS 287          1HZ       LYS 287  -0.687  -8.622 -34.350
  368   2HZ   LYS 287          2HZ       LYS 287  -1.208  -9.771 -35.477
  369   3HZ   LYS 287          3HZ       LYS 287   0.313  -9.925 -34.753
  370    H    SER 288           H        SER 288  -7.847  -8.884 -33.340
  371    HA   SER 288           HA       SER 288  -8.565  -9.086 -36.128
  372   1HB   SER 288          1HB       SER 288 -10.824  -9.772 -35.117
  373   2HB   SER 288          2HB       SER 288  -9.446 -10.822 -34.787
  374    HG   SER 288           HG       SER 288 -10.619 -10.401 -32.890
  375    H    PHE 289           H        PHE 289  -8.579  -6.651 -33.835
  376    HA   PHE 289           HA       PHE 289 -10.964  -5.290 -34.730
  377   1HB   PHE 289          1HB       PHE 289 -10.040  -5.153 -32.382
  378   2HB   PHE 289          2HB       PHE 289  -8.723  -4.182 -33.030
  379    HD1  PHE 289           HD1      PHE 289  -8.925  -1.915 -32.832
  380    HD2  PHE 289           HD2      PHE 289 -12.456  -4.267 -33.168
  381    HE1  PHE 289           HE1      PHE 289 -10.294   0.113 -32.584
  382    HE2  PHE 289           HE2      PHE 289 -13.832  -2.243 -32.921
  383    HZ   PHE 289           HZ       PHE 289 -12.752  -0.049 -32.628
  384    H    HIS 290           H        HIS 290 -11.004  -4.321 -36.652
  385    HA   HIS 290           HA       HIS 290  -8.556  -2.974 -37.588
  386   1HB   HIS 290          1HB       HIS 290 -10.611  -4.594 -39.007
  387   2HB   HIS 290          2HB       HIS 290  -9.911  -3.231 -39.873
  388    HD1  HIS 290           HD1      HIS 290  -9.270  -5.763 -41.151
  389    HD2  HIS 290           HD2      HIS 290  -7.019  -4.378 -37.945
  390    HE1  HIS 290           HE1      HIS 290  -7.057  -6.947 -41.322
  391    HE2  HIS 290           HE2      HIS 290  -5.748  -6.167 -39.316
  392    H    LYS 291           H        LYS 291 -11.890  -2.631 -36.806
  393    HA   LYS 291           HA       LYS 291 -12.567  -0.358 -38.283
  394   1HB   LYS 291          1HB       LYS 291 -13.510  -1.409 -35.625
  395   2HB   LYS 291          2HB       LYS 291 -14.162   0.073 -36.312
  396   1HG   LYS 291          1HG       LYS 291 -15.033  -1.086 -38.196
  397   2HG   LYS 291          2HG       LYS 291 -14.173  -2.563 -37.759
  398   1HD   LYS 291          1HD       LYS 291 -15.872  -1.606 -35.608
  399   2HD   LYS 291          2HD       LYS 291 -16.781  -1.915 -37.089
  400   1HE   LYS 291          1HE       LYS 291 -14.852  -3.880 -35.867
  401   2HE   LYS 291          2HE       LYS 291 -16.583  -3.874 -35.531
  402   1HZ   LYS 291          1HZ       LYS 291 -15.683  -5.400 -37.370
  403   2HZ   LYS 291          2HZ       LYS 291 -15.603  -3.995 -38.309
  404   3HZ   LYS 291          3HZ       LYS 291 -17.087  -4.507 -37.680
  405    HA   PRO 292           HA       PRO 292  -9.909   2.827 -36.734
  406   1HB   PRO 292          1HB       PRO 292 -12.300   4.549 -37.161
  407   2HB   PRO 292          2HB       PRO 292 -10.645   4.755 -37.745
  408   1HG   PRO 292          1HG       PRO 292 -12.577   3.936 -39.385
  409   2HG   PRO 292          2HG       PRO 292 -10.938   3.269 -39.498
  410   1HD   PRO 292          1HD       PRO 292 -13.409   2.048 -38.358
  411   2HD   PRO 292          2HD       PRO 292 -12.069   1.282 -39.235
  412    H    VAL 293           H        VAL 293  -9.468   3.571 -34.751
  413    HA   VAL 293           HA       VAL 293 -11.522   3.359 -32.689
  414    HB   VAL 293           HB       VAL 293  -9.263   2.347 -32.342
  415   1HG1  VAL 293          1HG1      VAL 293  -7.481   3.549 -32.919
  416   2HG1  VAL 293          2HG1      VAL 293  -7.758   4.517 -31.471
  417   3HG1  VAL 293          3HG1      VAL 293  -8.433   5.031 -33.017
  418   1HG2  VAL 293          1HG2      VAL 293  -8.956   3.742 -30.062
  419   2HG2  VAL 293          2HG2      VAL 293 -10.214   2.530 -30.303
  420   3HG2  VAL 293          3HG2      VAL 293 -10.588   4.240 -30.509
  421    H    THR 294           H        THR 294 -12.020   5.067 -31.248
  422    HA   THR 294           HA       THR 294 -11.171   7.743 -32.133
  423    HB   THR 294           HB       THR 294 -13.994   7.015 -31.333
  424    HG1  THR 294           HG1      THR 294 -14.347   7.587 -33.627
  425   1HG2  THR 294          1HG2      THR 294 -14.514   9.299 -32.123
  426   2HG2  THR 294          2HG2      THR 294 -12.790   9.591 -32.348
  427   3HG2  THR 294          3HG2      THR 294 -13.431   9.296 -30.732
  428    H    SER 295           H        SER 295 -12.540   5.781 -29.518
  429    HA   SER 295           HA       SER 295 -11.207   7.553 -27.603
  430   1HB   SER 295          1HB       SER 295 -13.945   6.556 -26.921
  431   2HB   SER 295          2HB       SER 295 -13.085   7.972 -26.315
  432    HG   SER 295           HG       SER 295 -14.856   8.362 -27.848
  433    H    TYR 296           H        TYR 296 -11.224   6.593 -25.366
  434    HA   TYR 296           HA       TYR 296 -10.069   4.018 -25.439
  435   1HB   TYR 296          1HB       TYR 296  -9.866   4.224 -23.034
  436   2HB   TYR 296          2HB       TYR 296  -9.488   5.773 -23.776
  437    HD1  TYR 296           HD1      TYR 296 -11.880   7.176 -24.154
  438    HD2  TYR 296           HD2      TYR 296 -10.961   4.449 -21.021
  439    HE1  TYR 296           HE1      TYR 296 -13.554   8.265 -22.728
  440    HE2  TYR 296           HE2      TYR 296 -12.633   5.534 -19.580
  441    HH   TYR 296           HH       TYR 296 -13.743   8.342 -19.839
  442    H    GLN 297           H        GLN 297 -13.252   5.175 -24.412
  443    HA   GLN 297           HA       GLN 297 -14.191   2.767 -23.317
  444   1HB   GLN 297          1HB       GLN 297 -15.185   5.307 -23.581
  445   2HB   GLN 297          2HB       GLN 297 -16.208   4.404 -24.689
  446   1HG   GLN 297          1HG       GLN 297 -15.760   3.316 -21.960
  447   2HG   GLN 297          2HG       GLN 297 -16.841   4.694 -22.159
  448   1HE2  GLN 297          1HE2      GLN 297 -16.251   1.368 -23.102
  449   2HE2  GLN 297          2HE2      GLN 297 -17.883   1.000 -23.531
  450    H    GLU 298           H        GLU 298 -14.219   4.023 -26.602
  451    HA   GLU 298           HA       GLU 298 -15.823   1.949 -27.700
  452   1HB   GLU 298          1HB       GLU 298 -13.852   3.392 -29.390
  453   2HB   GLU 298          2HB       GLU 298 -15.525   2.982 -29.728
  454   1HG   GLU 298          1HG       GLU 298 -14.670   5.109 -27.776
  455   2HG   GLU 298          2HG       GLU 298 -15.092   5.414 -29.462
  456    H    ALA 299           H        ALA 299 -12.440   2.290 -26.997
  457    HA   ALA 299           HA       ALA 299 -11.682  -0.007 -28.598
  458   1HB   ALA 299          1HB       ALA 299  -9.730   1.048 -28.594
  459   2HB   ALA 299          2HB       ALA 299  -9.575   0.703 -26.871
  460   3HB   ALA 299          3HB       ALA 299 -10.323   2.208 -27.406
  461    H    CYS 300           H        CYS 300 -12.669   0.680 -25.376
  462    HA   CYS 300           HA       CYS 300 -11.490  -1.652 -24.180
  463   1HB   CYS 300          1HB       CYS 300 -11.846  -0.340 -22.398
  464   2HB   CYS 300          2HB       CYS 300 -12.972   0.677 -23.287
  465    HG   CYS 300           HG       CYS 300 -15.123  -1.195 -22.849
  466    H    SER 301           H        SER 301 -14.400  -0.916 -25.876
  467    HA   SER 301           HA       SER 301 -16.135  -2.869 -24.893
  468   1HB   SER 301          1HB       SER 301 -15.886  -1.378 -27.467
  469   2HB   SER 301          2HB       SER 301 -16.972  -2.766 -27.412
  470    HG   SER 301           HG       SER 301 -17.187  -1.011 -25.290
  471    H    ILE 302           H        ILE 302 -13.362  -3.149 -26.957
  472    HA   ILE 302           HA       ILE 302 -13.963  -5.629 -28.172
  473    HB   ILE 302           HB       ILE 302 -11.168  -4.737 -27.508
  474   1HG1  ILE 302          1HG1      ILE 302 -12.672  -3.839 -29.961
  475   2HG1  ILE 302          2HG1      ILE 302 -12.644  -2.873 -28.489
  476   1HG2  ILE 302          1HG2      ILE 302 -10.812  -5.739 -29.831
  477   2HG2  ILE 302          2HG2      ILE 302 -12.430  -6.418 -29.649
  478   3HG2  ILE 302          3HG2      ILE 302 -11.157  -6.854 -28.507
  479   1HD1  ILE 302          1HD1      ILE 302 -10.051  -3.783 -29.604
  480   2HD1  ILE 302          2HD1      ILE 302 -10.461  -2.297 -28.746
  481   3HD1  ILE 302          3HD1      ILE 302 -10.917  -2.492 -30.438
  482    HA   PRO 303           HA       PRO 303 -13.737  -8.322 -24.620
  483   1HB   PRO 303          1HB       PRO 303 -13.076 -10.346 -26.694
  484   2HB   PRO 303          2HB       PRO 303 -14.333 -10.375 -25.452
  485   1HG   PRO 303          1HG       PRO 303 -14.950  -9.926 -28.005
  486   2HG   PRO 303          2HG       PRO 303 -15.778  -9.058 -26.699
  487   1HD   PRO 303          1HD       PRO 303 -13.631  -8.106 -28.546
  488   2HD   PRO 303          2HD       PRO 303 -15.040  -7.234 -27.910
  489    H    GLY 304           H        GLY 304 -12.010  -8.348 -23.329
  490   1HA   GLY 304          1HA       GLY 304  -9.933  -9.492 -22.788
  491   2HA   GLY 304          2HA       GLY 304  -9.443  -9.265 -24.459
  492    H    ILE 305           H        ILE 305 -10.967  -6.494 -23.415
  493    HA   ILE 305           HA       ILE 305  -8.483  -5.299 -22.404
  494    HB   ILE 305           HB       ILE 305 -10.190  -3.691 -24.252
  495   1HG1  ILE 305          1HG1      ILE 305  -7.994  -5.555 -25.182
  496   2HG1  ILE 305          2HG1      ILE 305  -9.714  -5.809 -25.461
  497   1HG2  ILE 305          1HG2      ILE 305  -7.754  -3.360 -22.846
  498   2HG2  ILE 305          2HG2      ILE 305  -8.582  -2.209 -23.894
  499   3HG2  ILE 305          3HG2      ILE 305  -7.391  -3.322 -24.572
  500   1HD1  ILE 305          1HD1      ILE 305  -8.925  -3.196 -26.353
  501   2HD1  ILE 305          2HD1      ILE 305  -9.670  -4.518 -27.254
  502   3HD1  ILE 305          3HD1      ILE 305  -7.915  -4.443 -27.088
  503    H    GLY 306           H        GLY 306  -8.736  -3.828 -20.808
  504   1HA   GLY 306          1HA       GLY 306 -11.497  -3.363 -19.893
  505   2HA   GLY 306          2HA       GLY 306 -10.075  -3.353 -18.860
  506    H    LYS 307           H        LYS 307 -11.232  -1.292 -18.222
  507    HA   LYS 307           HA       LYS 307 -11.135   0.939 -19.995
  508   1HB   LYS 307          1HB       LYS 307 -11.625   2.269 -17.943
  509   2HB   LYS 307          2HB       LYS 307 -12.750   0.946 -18.213
  510   1HG   LYS 307          1HG       LYS 307 -11.026  -0.314 -16.623
  511   2HG   LYS 307          2HG       LYS 307 -10.759   1.337 -16.063
  512   1HD   LYS 307          1HD       LYS 307 -12.468   0.499 -14.685
  513   2HD   LYS 307          2HD       LYS 307 -13.298   1.504 -15.874
  514   1HE   LYS 307          1HE       LYS 307 -13.275  -0.929 -17.109
  515   2HE   LYS 307          2HE       LYS 307 -13.439  -1.387 -15.415
  516   1HZ   LYS 307          1HZ       LYS 307 -15.151   0.786 -16.254
  517   2HZ   LYS 307          2HZ       LYS 307 -15.509  -0.576 -15.316
  518   3HZ   LYS 307          3HZ       LYS 307 -15.482  -0.695 -17.003
  519    H    ARG 308           H        ARG 308  -9.006  -0.385 -17.536
  520    HA   ARG 308           HA       ARG 308  -7.236   1.796 -17.319
  521   1HB   ARG 308          1HB       ARG 308  -7.045  -1.137 -16.743
  522   2HB   ARG 308          2HB       ARG 308  -5.588  -0.156 -16.695
  523   1HG   ARG 308          1HG       ARG 308  -6.372   1.130 -14.908
  524   2HG   ARG 308          2HG       ARG 308  -8.040   0.602 -15.147
  525   1HD   ARG 308          1HD       ARG 308  -6.910  -0.440 -13.185
  526   2HD   ARG 308          2HD       ARG 308  -7.524  -1.598 -14.364
  527    HE   ARG 308           HE       ARG 308  -4.687  -0.841 -14.093
  528   1HH1  ARG 308          1HH1      ARG 308  -7.183  -3.138 -14.895
  529   2HH1  ARG 308          2HH1      ARG 308  -6.070  -4.417 -15.250
  530   1HH2  ARG 308          1HH2      ARG 308  -3.216  -2.519 -14.562
  531   2HH2  ARG 308          2HH2      ARG 308  -3.817  -4.065 -15.061
  532    H    MET 309           H        MET 309  -7.151  -1.119 -19.340
  533    HA   MET 309           HA       MET 309  -4.752  -0.428 -20.698
  534   1HB   MET 309          1HB       MET 309  -6.107  -2.716 -20.482
  535   2HB   MET 309          2HB       MET 309  -6.794  -2.168 -22.005
  536   1HG   MET 309          1HG       MET 309  -4.832  -3.695 -22.210
  537   2HG   MET 309          2HG       MET 309  -4.676  -2.159 -23.062
  538   1HE   MET 309          1HE       MET 309  -2.144  -4.220 -20.254
  539   2HE   MET 309          2HE       MET 309  -3.894  -4.412 -20.374
  540   3HE   MET 309          3HE       MET 309  -3.202  -3.401 -19.104
  541    H    ALA 310           H        ALA 310  -8.182   0.085 -21.338
  542    HA   ALA 310           HA       ALA 310  -8.079   0.985 -23.959
  543   1HB   ALA 310          1HB       ALA 310 -10.257   1.140 -23.550
  544   2HB   ALA 310          2HB       ALA 310  -9.960   2.602 -22.611
  545   3HB   ALA 310          3HB       ALA 310  -9.967   1.029 -21.814
  546    H    GLU 311           H        GLU 311  -7.691   2.847 -20.952
  547    HA   GLU 311           HA       GLU 311  -7.228   5.337 -22.228
  548   1HB   GLU 311          1HB       GLU 311  -6.752   4.258 -19.469
  549   2HB   GLU 311          2HB       GLU 311  -6.074   5.816 -19.923
  550   1HG   GLU 311          1HG       GLU 311  -8.880   5.571 -20.627
  551   2HG   GLU 311          2HG       GLU 311  -8.585   5.361 -18.902
  552    H    LYS 312           H        LYS 312  -5.242   2.597 -21.486
  553    HA   LYS 312           HA       LYS 312  -2.711   3.854 -21.673
  554   1HB   LYS 312          1HB       LYS 312  -3.247   1.551 -20.714
  555   2HB   LYS 312          2HB       LYS 312  -3.269   0.980 -22.378
  556   1HG   LYS 312          1HG       LYS 312  -1.121   0.552 -21.362
  557   2HG   LYS 312          2HG       LYS 312  -0.956   1.748 -22.650
  558   1HD   LYS 312          1HD       LYS 312  -0.846   3.537 -21.059
  559   2HD   LYS 312          2HD       LYS 312  -1.236   2.443 -19.730
  560   1HE   LYS 312          1HE       LYS 312   1.107   2.827 -19.655
  561   2HE   LYS 312          2HE       LYS 312   0.856   1.194 -20.268
  562   1HZ   LYS 312          1HZ       LYS 312   1.768   1.707 -22.226
  563   2HZ   LYS 312          2HZ       LYS 312   2.428   3.044 -21.427
  564   3HZ   LYS 312          3HZ       LYS 312   1.002   3.212 -22.319
  565    H    ILE 313           H        ILE 313  -4.884   2.379 -24.019
  566    HA   ILE 313           HA       ILE 313  -3.085   2.462 -26.217
  567    HB   ILE 313           HB       ILE 313  -6.077   2.592 -26.490
  568   1HG1  ILE 313          1HG1      ILE 313  -4.500   0.053 -26.069
  569   2HG1  ILE 313          2HG1      ILE 313  -5.349   0.874 -24.766
  570   1HG2  ILE 313          1HG2      ILE 313  -5.323   0.891 -28.361
  571   2HG2  ILE 313          2HG2      ILE 313  -3.781   1.724 -28.168
  572   3HG2  ILE 313          3HG2      ILE 313  -5.227   2.634 -28.610
  573   1HD1  ILE 313          1HD1      ILE 313  -6.573  -0.306 -27.245
  574   2HD1  ILE 313          2HD1      ILE 313  -7.453   0.611 -26.023
  575   3HD1  ILE 313          3HD1      ILE 313  -6.697  -0.926 -25.599
  576    H    ILE 314           H        ILE 314  -5.421   4.712 -24.871
  577    HA   ILE 314           HA       ILE 314  -5.547   6.548 -26.980
  578    HB   ILE 314           HB       ILE 314  -5.803   7.027 -24.007
  579   1HG1  ILE 314          1HG1      ILE 314  -7.450   5.457 -24.947
  580   2HG1  ILE 314          2HG1      ILE 314  -8.209   6.959 -24.435
  581   1HG2  ILE 314          1HG2      ILE 314  -7.019   9.097 -24.680
  582   2HG2  ILE 314          2HG2      ILE 314  -6.466   8.826 -26.333
  583   3HG2  ILE 314          3HG2      ILE 314  -5.295   9.125 -25.049
  584   1HD1  ILE 314          1HD1      ILE 314  -8.228   7.712 -26.776
  585   2HD1  ILE 314          2HD1      ILE 314  -9.143   6.226 -26.528
  586   3HD1  ILE 314          3HD1      ILE 314  -7.539   6.162 -27.258
  587    H    GLU 315           H        GLU 315  -3.264   6.236 -24.302
  588    HA   GLU 315           HA       GLU 315  -1.862   8.633 -24.759
  589   1HB   GLU 315          1HB       GLU 315  -1.176   7.928 -22.750
  590   2HB   GLU 315          2HB       GLU 315  -1.550   6.261 -23.128
  591   1HG   GLU 315          1HG       GLU 315   0.660   6.475 -24.573
  592   2HG   GLU 315          2HG       GLU 315   0.998   7.741 -23.395
  593    H    ILE 316           H        ILE 316  -1.479   5.364 -25.988
  594    HA   ILE 316           HA       ILE 316   0.963   5.739 -27.339
  595    HB   ILE 316           HB       ILE 316  -1.246   3.841 -28.133
  596   1HG1  ILE 316          1HG1      ILE 316   1.035   3.168 -26.292
  597   2HG1  ILE 316          2HG1      ILE 316  -0.466   3.840 -25.662
  598   1HG2  ILE 316          1HG2      ILE 316   1.280   2.683 -28.466
  599   2HG2  ILE 316          2HG2      ILE 316   1.416   4.321 -29.105
  600   3HG2  ILE 316          3HG2      ILE 316   0.177   3.232 -29.727
  601   1HD1  ILE 316          1HD1      ILE 316   0.105   1.166 -26.758
  602   2HD1  ILE 316          2HD1      ILE 316  -1.474   1.858 -27.134
  603   3HD1  ILE 316          3HD1      ILE 316  -0.974   1.657 -25.454
  604    H    LEU 317           H        LEU 317  -2.247   6.745 -28.061
  605    HA   LEU 317           HA       LEU 317  -1.822   7.085 -30.888
  606   1HB   LEU 317          1HB       LEU 317  -4.010   7.850 -28.995
  607   2HB   LEU 317          2HB       LEU 317  -3.996   8.448 -30.641
  608    HG   LEU 317           HG       LEU 317  -3.947   5.515 -29.953
  609   1HD1  LEU 317          1HD1      LEU 317  -6.163   5.464 -29.706
  610   2HD1  LEU 317          2HD1      LEU 317  -6.425   6.588 -31.040
  611   3HD1  LEU 317          3HD1      LEU 317  -6.046   7.202 -29.430
  612   1HD2  LEU 317          1HD2      LEU 317  -4.020   5.110 -32.166
  613   2HD2  LEU 317          2HD2      LEU 317  -3.304   6.717 -32.283
  614   3HD2  LEU 317          3HD2      LEU 317  -5.042   6.508 -32.496
  615    H    GLU 318           H        GLU 318  -2.229   9.253 -28.103
  616    HA   GLU 318           HA       GLU 318  -0.466  11.175 -29.405
  617   1HB   GLU 318          1HB       GLU 318  -3.195  11.878 -28.318
  618   2HB   GLU 318          2HB       GLU 318  -1.991  13.046 -28.840
  619   1HG   GLU 318          1HG       GLU 318  -2.151  11.520 -31.048
  620   2HG   GLU 318          2HG       GLU 318  -3.789  11.340 -30.422
  621    H    SER 319           H        SER 319  -2.307  12.354 -26.777
  622    HA   SER 319           HA       SER 319  -1.674  13.067 -24.714
  623   1HB   SER 319          1HB       SER 319  -2.292  10.986 -23.929
  624   2HB   SER 319          2HB       SER 319  -0.990  10.153 -24.775
  625    HG   SER 319           HG       SER 319  -0.306  12.012 -22.805
  626    H    GLY 320           H        GLY 320  -0.176  14.636 -25.070
  627   1HA   GLY 320          1HA       GLY 320   2.148  14.869 -23.923
  628   2HA   GLY 320          2HA       GLY 320   2.647  13.841 -25.257
  629    H    HIS 321           H        HIS 321   0.200  15.710 -26.413
  630    HA   HIS 321           HA       HIS 321   1.830  17.211 -28.133
  631   1HB   HIS 321          1HB       HIS 321  -0.952  16.795 -27.754
  632   2HB   HIS 321          2HB       HIS 321  -0.677  18.537 -27.771
  633    HD1  HIS 321           HD1      HIS 321   1.494  16.339 -29.864
  634    HD2  HIS 321           HD2      HIS 321  -1.862  18.749 -30.309
  635    HE1  HIS 321           HE1      HIS 321   1.182  16.606 -32.346
  636    HE2  HIS 321           HE2      HIS 321  -0.794  18.150 -32.586
  637    H    LEU 322           H        LEU 322   0.619  17.847 -24.943
  638    HA   LEU 322           HA       LEU 322   0.813  20.630 -24.860
  639   1HB   LEU 322          1HB       LEU 322   1.280  18.619 -22.656
  640   2HB   LEU 322          2HB       LEU 322   1.058  20.341 -22.409
  641    HG   LEU 322           HG       LEU 322  -1.117  19.176 -23.950
  642   1HD1  LEU 322          1HD1      LEU 322  -0.672  17.179 -22.685
  643   2HD1  LEU 322          2HD1      LEU 322  -2.115  17.960 -22.040
  644   3HD1  LEU 322          3HD1      LEU 322  -0.578  18.102 -21.185
  645   1HD2  LEU 322          1HD2      LEU 322  -0.667  21.317 -22.242
  646   2HD2  LEU 322          2HD2      LEU 322  -1.754  20.259 -21.344
  647   3HD2  LEU 322          3HD2      LEU 322  -2.210  20.835 -22.947
  648    H    ARG 323           H        ARG 323   2.678  21.163 -26.068
  649    HA   ARG 323           HA       ARG 323   5.282  20.325 -25.559
  650   1HB   ARG 323          1HB       ARG 323   4.000  22.503 -27.002
  651   2HB   ARG 323          2HB       ARG 323   5.538  22.992 -26.307
  652   1HG   ARG 323          1HG       ARG 323   6.031  20.502 -27.452
  653   2HG   ARG 323          2HG       ARG 323   5.002  21.349 -28.608
  654   1HD   ARG 323          1HD       ARG 323   6.521  23.121 -28.832
  655   2HD   ARG 323          2HD       ARG 323   7.394  22.671 -27.368
  656    HE   ARG 323           HE       ARG 323   7.437  20.792 -29.600
  657   1HH1  ARG 323          1HH1      ARG 323   9.074  23.232 -27.728
  658   2HH1  ARG 323          2HH1      ARG 323  10.649  22.802 -28.305
  659   1HH2  ARG 323          1HH2      ARG 323   9.508  20.220 -30.369
  660   2HH2  ARG 323          2HH2      ARG 323  10.895  21.091 -29.806
  661    H    LYS 324           H        LYS 324   6.011  20.242 -23.511
  662    HA   LYS 324           HA       LYS 324   5.490  22.290 -21.581
  663   1HB   LYS 324          1HB       LYS 324   7.601  20.152 -21.361
  664   2HB   LYS 324          2HB       LYS 324   6.744  20.968 -20.060
  665   1HG   LYS 324          1HG       LYS 324   5.036  19.534 -20.134
  666   2HG   LYS 324          2HG       LYS 324   4.981  19.546 -21.898
  667   1HD   LYS 324          1HD       LYS 324   7.205  18.127 -20.493
  668   2HD   LYS 324          2HD       LYS 324   5.620  17.359 -20.622
  669   1HE   LYS 324          1HE       LYS 324   5.972  16.828 -22.754
  670   2HE   LYS 324          2HE       LYS 324   6.432  18.483 -23.151
  671   1HZ   LYS 324          1HZ       LYS 324   8.081  16.265 -23.025
  672   2HZ   LYS 324          2HZ       LYS 324   8.501  17.224 -21.696
  673   3HZ   LYS 324          3HZ       LYS 324   8.544  17.876 -23.256
  674    H    LEU 325           H        LEU 325   7.181  23.475 -20.435
  675    HA   LEU 325           HA       LEU 325   9.517  24.099 -22.109
  676   1HB   LEU 325          1HB       LEU 325   7.966  26.190 -20.596
  677   2HB   LEU 325          2HB       LEU 325   9.241  26.439 -21.773
  678    HG   LEU 325           HG       LEU 325   6.586  25.214 -22.498
  679   1HD1  LEU 325          1HD1      LEU 325   6.732  27.703 -21.523
  680   2HD1  LEU 325          2HD1      LEU 325   5.628  27.235 -22.815
  681   3HD1  LEU 325          3HD1      LEU 325   7.155  28.024 -23.204
  682   1HD2  LEU 325          1HD2      LEU 325   8.916  25.251 -23.884
  683   2HD2  LEU 325          2HD2      LEU 325   8.165  26.746 -24.444
  684   3HD2  LEU 325          3HD2      LEU 325   7.315  25.211 -24.624
  685    H    ASP 326           H        ASP 326  11.152  23.319 -20.924
  686    HA   ASP 326           HA       ASP 326  11.116  23.518 -18.029
  687   1HB   ASP 326          1HB       ASP 326  12.945  22.191 -20.016
  688   2HB   ASP 326          2HB       ASP 326  13.407  22.359 -18.326
  689    H    HIS 327           H        HIS 327  13.040  24.320 -16.867
  690    HA   HIS 327           HA       HIS 327  14.404  26.041 -16.277
  691   1HB   HIS 327          1HB       HIS 327  15.161  25.480 -19.109
  692   2HB   HIS 327          2HB       HIS 327  15.823  26.919 -18.340
  693    HD1  HIS 327           HD1      HIS 327  18.114  26.416 -17.583
  694    HD2  HIS 327           HD2      HIS 327  15.559  23.193 -16.990
  695    HE1  HIS 327           HE1      HIS 327  19.506  24.654 -16.451
  696    HE2  HIS 327           HE2      HIS 327  17.962  22.682 -16.180
  Start of MODEL    4
    1    HA   ALA 242           HA       ALA 242 -20.297   3.504 -28.957
    2   1HB   ALA 242          1HB       ALA 242 -19.181   1.030 -28.894
    3   2HB   ALA 242          2HB       ALA 242 -18.589   2.372 -29.872
    4   3HB   ALA 242          3HB       ALA 242 -19.645   1.156 -30.590
    5    H    GLN 243           H        GLN 243 -19.998   3.254 -31.645
    6    HA   GLN 243           HA       GLN 243 -22.648   2.788 -32.787
    7   1HB   GLN 243          1HB       GLN 243 -22.379   5.217 -32.015
    8   2HB   GLN 243          2HB       GLN 243 -21.207   5.380 -33.316
    9   1HG   GLN 243          1HG       GLN 243 -23.627   4.178 -34.292
   10   2HG   GLN 243          2HG       GLN 243 -23.977   5.692 -33.460
   11   1HE2  GLN 243          1HE2      GLN 243 -23.704   4.626 -36.381
   12   2HE2  GLN 243          2HE2      GLN 243 -22.862   5.912 -37.168
   13    HA   PRO 244           HA       PRO 244 -20.044   1.052 -35.961
   14   1HB   PRO 244          1HB       PRO 244 -22.463   1.100 -37.637
   15   2HB   PRO 244          2HB       PRO 244 -21.504  -0.277 -37.091
   16   1HG   PRO 244          1HG       PRO 244 -23.955   0.216 -36.109
   17   2HG   PRO 244          2HG       PRO 244 -22.664  -0.468 -35.104
   18   1HD   PRO 244          1HD       PRO 244 -23.672   2.351 -35.235
   19   2HD   PRO 244          2HD       PRO 244 -23.211   1.384 -33.817
   20    H    SER 245           H        SER 245 -19.983   1.379 -38.520
   21    HA   SER 245           HA       SER 245 -20.631   3.960 -39.515
   22   1HB   SER 245          1HB       SER 245 -17.955   4.330 -39.826
   23   2HB   SER 245          2HB       SER 245 -18.906   5.062 -38.533
   24    HG   SER 245           HG       SER 245 -16.889   3.762 -38.028
   25    H    SER 246           H        SER 246 -18.793   1.002 -39.741
   26    HA   SER 246           HA       SER 246 -18.225  -0.339 -41.482
   27   1HB   SER 246          1HB       SER 246 -20.764   0.749 -42.127
   28   2HB   SER 246          2HB       SER 246 -19.813   0.732 -43.612
   29    HG   SER 246           HG       SER 246 -19.440  -1.563 -42.284
   30    H    GLN 247           H        GLN 247 -19.066   2.319 -43.631
   31    HA   GLN 247           HA       GLN 247 -17.846   3.529 -45.119
   32   1HB   GLN 247          1HB       GLN 247 -16.147   3.431 -42.692
   33   2HB   GLN 247          2HB       GLN 247 -15.351   3.925 -44.180
   34   1HG   GLN 247          1HG       GLN 247 -17.860   5.290 -43.893
   35   2HG   GLN 247          2HG       GLN 247 -16.871   5.502 -42.449
   36   1HE2  GLN 247          1HE2      GLN 247 -17.462   7.658 -43.966
   37   2HE2  GLN 247          2HE2      GLN 247 -16.056   8.209 -44.806
   38    H    LYS 248           H        LYS 248 -15.119   3.460 -45.786
   39    HA   LYS 248           HA       LYS 248 -15.044   0.936 -47.226
   40   1HB   LYS 248          1HB       LYS 248 -13.916   3.619 -47.583
   41   2HB   LYS 248          2HB       LYS 248 -12.800   2.324 -47.993
   42   1HG   LYS 248          1HG       LYS 248 -15.508   1.996 -49.069
   43   2HG   LYS 248          2HG       LYS 248 -14.619   3.389 -49.691
   44   1HD   LYS 248          1HD       LYS 248 -13.123   2.104 -50.797
   45   2HD   LYS 248          2HD       LYS 248 -13.102   0.865 -49.540
   46   1HE   LYS 248          1HE       LYS 248 -15.350   0.126 -50.333
   47   2HE   LYS 248          2HE       LYS 248 -15.195   1.263 -51.672
   48   1HZ   LYS 248          1HZ       LYS 248 -13.719  -1.229 -51.175
   49   2HZ   LYS 248          2HZ       LYS 248 -12.977   0.002 -52.064
   50   3HZ   LYS 248          3HZ       LYS 248 -14.430  -0.672 -52.604
   51    H    ALA 249           H        ALA 249 -12.751  -0.006 -47.538
   52    HA   ALA 249           HA       ALA 249 -11.721  -0.590 -44.878
   53   1HB   ALA 249          1HB       ALA 249 -11.906  -2.008 -47.385
   54   2HB   ALA 249          2HB       ALA 249 -11.634  -2.631 -45.758
   55   3HB   ALA 249          3HB       ALA 249 -10.270  -2.080 -46.731
   56    H    THR 250           H        THR 250 -10.591   1.319 -44.406
   57    HA   THR 250           HA       THR 250  -7.985   1.495 -45.726
   58    HB   THR 250           HB       THR 250  -8.989   3.260 -46.868
   59    HG1  THR 250           HG1      THR 250  -7.153   3.822 -45.228
   60   1HG2  THR 250          1HG2      THR 250 -11.130   3.367 -45.847
   61   2HG2  THR 250          2HG2      THR 250 -10.421   4.971 -45.671
   62   3HG2  THR 250          3HG2      THR 250 -10.444   3.863 -44.300
   63    H    ASN 251           H        ASN 251  -6.321   2.301 -44.429
   64    HA   ASN 251           HA       ASN 251  -6.766   1.983 -41.594
   65   1HB   ASN 251          1HB       ASN 251  -4.431   1.911 -41.370
   66   2HB   ASN 251          2HB       ASN 251  -4.722   1.171 -42.941
   67   1HD2  ASN 251          1HD2      ASN 251  -3.231   3.716 -41.237
   68   2HD2  ASN 251          2HD2      ASN 251  -2.530   4.526 -42.593
   69    H    HIS 252           H        HIS 252  -5.997   3.557 -40.012
   70    HA   HIS 252           HA       HIS 252  -6.101   6.333 -40.969
   71   1HB   HIS 252          1HB       HIS 252  -8.279   6.015 -40.106
   72   2HB   HIS 252          2HB       HIS 252  -7.689   5.084 -38.730
   73    HD1  HIS 252           HD1      HIS 252  -7.387   6.349 -36.610
   74    HD2  HIS 252           HD2      HIS 252  -7.548   8.862 -39.915
   75    HE1  HIS 252           HE1      HIS 252  -7.394   8.685 -35.679
   76    HE2  HIS 252           HE2      HIS 252  -7.583  10.186 -37.693
   77    H    ASN 253           H        ASN 253  -5.506   4.380 -38.048
   78    HA   ASN 253           HA       ASN 253  -2.992   5.839 -37.661
   79   1HB   ASN 253          1HB       ASN 253  -5.340   6.051 -36.003
   80   2HB   ASN 253          2HB       ASN 253  -4.012   5.354 -35.082
   81   1HD2  ASN 253          1HD2      ASN 253  -5.416   8.051 -35.183
   82   2HD2  ASN 253          2HD2      ASN 253  -4.115   9.187 -35.237
   83    H    LEU 254           H        LEU 254  -4.880   3.391 -35.903
   84    HA   LEU 254           HA       LEU 254  -4.222   1.476 -34.877
   85   1HB   LEU 254          1HB       LEU 254  -3.045   0.896 -37.566
   86   2HB   LEU 254          2HB       LEU 254  -3.809  -0.212 -36.449
   87    HG   LEU 254           HG       LEU 254  -5.521   1.976 -37.433
   88   1HD1  LEU 254          1HD1      LEU 254  -5.854   1.133 -39.597
   89   2HD1  LEU 254          2HD1      LEU 254  -4.925  -0.328 -39.265
   90   3HD1  LEU 254          3HD1      LEU 254  -4.103   1.225 -39.409
   91   1HD2  LEU 254          1HD2      LEU 254  -5.733  -0.809 -36.515
   92   2HD2  LEU 254          2HD2      LEU 254  -6.843  -0.357 -37.808
   93   3HD2  LEU 254          3HD2      LEU 254  -6.837   0.548 -36.295
   94    H    HIS 255           H        HIS 255  -2.306   3.519 -34.432
   95    HA   HIS 255           HA       HIS 255   0.317   2.365 -34.824
   96   1HB   HIS 255          1HB       HIS 255   0.234   4.740 -34.953
   97   2HB   HIS 255          2HB       HIS 255  -0.670   4.863 -33.448
   98    HD1  HIS 255           HD1      HIS 255   2.797   3.975 -34.689
   99    HD2  HIS 255           HD2      HIS 255   0.866   5.171 -31.209
  100    HE1  HIS 255           HE1      HIS 255   4.629   4.431 -33.026
  101    HE2  HIS 255           HE2      HIS 255   3.440   5.223 -30.951
  102    H    ILE 256           H        ILE 256  -2.114   2.533 -32.348
  103    HA   ILE 256           HA       ILE 256  -0.568   1.919 -30.092
  104    HB   ILE 256           HB       ILE 256  -3.369   0.895 -30.477
  105   1HG1  ILE 256          1HG1      ILE 256  -3.513   3.414 -29.248
  106   2HG1  ILE 256          2HG1      ILE 256  -2.458   3.636 -30.641
  107   1HG2  ILE 256          1HG2      ILE 256  -1.819   1.886 -28.090
  108   2HG2  ILE 256          2HG2      ILE 256  -2.294   0.222 -28.434
  109   3HG2  ILE 256          3HG2      ILE 256  -3.523   1.431 -28.063
  110   1HD1  ILE 256          1HD1      ILE 256  -4.519   2.168 -31.683
  111   2HD1  ILE 256          2HD1      ILE 256  -4.340   3.920 -31.790
  112   3HD1  ILE 256          3HD1      ILE 256  -5.331   3.211 -30.515
  113    H    THR 257           H        THR 257  -2.154  -0.170 -32.473
  114    HA   THR 257           HA       THR 257  -1.690  -2.640 -31.270
  115    HB   THR 257           HB       THR 257  -1.946  -3.641 -33.455
  116    HG1  THR 257           HG1      THR 257  -0.818  -2.518 -34.908
  117   1HG2  THR 257          1HG2      THR 257  -3.931  -2.576 -32.336
  118   2HG2  THR 257          2HG2      THR 257  -4.073  -2.760 -34.085
  119   3HG2  THR 257          3HG2      THR 257  -3.692  -1.183 -33.392
  120    H    GLU 258           H        GLU 258   0.402  -0.612 -33.233
  121    HA   GLU 258           HA       GLU 258   2.482  -2.503 -33.584
  122   1HB   GLU 258          1HB       GLU 258   2.882   0.481 -33.512
  123   2HB   GLU 258          2HB       GLU 258   3.772  -0.717 -34.442
  124   1HG   GLU 258          1HG       GLU 258   1.129  -0.967 -35.282
  125   2HG   GLU 258          2HG       GLU 258   1.410   0.768 -35.138
  126    H    LYS 259           H        LYS 259   2.170   0.271 -31.371
  127    HA   LYS 259           HA       LYS 259   4.513  -0.136 -29.910
  128   1HB   LYS 259          1HB       LYS 259   1.889   1.186 -29.296
  129   2HB   LYS 259          2HB       LYS 259   3.108   1.029 -28.039
  130   1HG   LYS 259          1HG       LYS 259   3.930   2.164 -30.658
  131   2HG   LYS 259          2HG       LYS 259   2.966   3.165 -29.569
  132   1HD   LYS 259          1HD       LYS 259   5.421   1.727 -28.616
  133   2HD   LYS 259          2HD       LYS 259   5.524   3.309 -29.392
  134   1HE   LYS 259          1HE       LYS 259   3.993   4.221 -27.705
  135   2HE   LYS 259          2HE       LYS 259   3.921   2.641 -26.926
  136   1HZ   LYS 259          1HZ       LYS 259   6.212   2.781 -26.367
  137   2HZ   LYS 259          2HZ       LYS 259   5.496   4.238 -25.889
  138   3HZ   LYS 259          3HZ       LYS 259   6.431   4.178 -27.296
  139    H    LEU 260           H        LEU 260   1.504  -1.847 -29.817
  140    HA   LEU 260           HA       LEU 260   1.971  -3.020 -27.226
  141   1HB   LEU 260          1HB       LEU 260  -0.156  -3.035 -29.229
  142   2HB   LEU 260          2HB       LEU 260   0.089  -4.599 -28.475
  143    HG   LEU 260           HG       LEU 260   0.074  -2.823 -26.337
  144   1HD1  LEU 260          1HD1      LEU 260  -2.350  -2.163 -27.947
  145   2HD1  LEU 260          2HD1      LEU 260  -0.870  -1.228 -28.167
  146   3HD1  LEU 260          3HD1      LEU 260  -1.638  -1.305 -26.580
  147   1HD2  LEU 260          1HD2      LEU 260  -2.109  -4.559 -27.478
  148   2HD2  LEU 260          2HD2      LEU 260  -2.120  -3.859 -25.859
  149   3HD2  LEU 260          3HD2      LEU 260  -0.880  -5.032 -26.304
  150    H    GLU 261           H        GLU 261   2.780  -3.730 -30.518
  151    HA   GLU 261           HA       GLU 261   3.337  -6.517 -30.065
  152   1HB   GLU 261          1HB       GLU 261   3.331  -4.660 -32.326
  153   2HB   GLU 261          2HB       GLU 261   4.670  -5.795 -32.371
  154   1HG   GLU 261          1HG       GLU 261   2.419  -7.321 -31.723
  155   2HG   GLU 261          2HG       GLU 261   1.900  -6.208 -32.989
  156    H    VAL 262           H        VAL 262   5.094  -3.485 -30.159
  157    HA   VAL 262           HA       VAL 262   7.683  -4.646 -29.992
  158    HB   VAL 262           HB       VAL 262   7.968  -2.098 -29.064
  159   1HG1  VAL 262          1HG1      VAL 262   8.647  -1.550 -31.337
  160   2HG1  VAL 262          2HG1      VAL 262   7.774  -2.964 -31.931
  161   3HG1  VAL 262          3HG1      VAL 262   9.190  -3.171 -30.899
  162   1HG2  VAL 262          1HG2      VAL 262   5.477  -1.827 -29.391
  163   2HG2  VAL 262          2HG2      VAL 262   5.822  -1.880 -31.120
  164   3HG2  VAL 262          3HG2      VAL 262   6.525  -0.610 -30.119
  165    H    LEU 263           H        LEU 263   5.238  -3.611 -27.731
  166    HA   LEU 263           HA       LEU 263   6.840  -3.453 -25.412
  167   1HB   LEU 263          1HB       LEU 263   4.020  -3.418 -26.071
  168   2HB   LEU 263          2HB       LEU 263   4.310  -4.357 -24.619
  169    HG   LEU 263           HG       LEU 263   5.388  -2.452 -23.557
  170   1HD1  LEU 263          1HD1      LEU 263   6.322  -1.496 -25.671
  171   2HD1  LEU 263          2HD1      LEU 263   5.591  -0.315 -24.584
  172   3HD1  LEU 263          3HD1      LEU 263   4.716  -0.854 -26.017
  173   1HD2  LEU 263          1HD2      LEU 263   3.421  -1.627 -22.901
  174   2HD2  LEU 263          2HD2      LEU 263   2.704  -2.722 -24.085
  175   3HD2  LEU 263          3HD2      LEU 263   3.030  -1.043 -24.520
  176    H    ALA 264           H        ALA 264   4.957  -6.094 -26.855
  177    HA   ALA 264           HA       ALA 264   5.493  -8.050 -24.911
  178   1HB   ALA 264          1HB       ALA 264   4.276  -7.944 -27.498
  179   2HB   ALA 264          2HB       ALA 264   4.080  -9.154 -26.229
  180   3HB   ALA 264          3HB       ALA 264   5.363  -9.331 -27.425
  181    H    LYS 265           H        LYS 265   7.258  -6.988 -27.767
  182    HA   LYS 265           HA       LYS 265   9.250  -8.962 -27.808
  183   1HB   LYS 265          1HB       LYS 265   8.656  -7.038 -29.497
  184   2HB   LYS 265          2HB       LYS 265   9.851  -6.131 -28.580
  185   1HG   LYS 265          1HG       LYS 265  11.421  -8.094 -29.008
  186   2HG   LYS 265          2HG       LYS 265  10.238  -8.615 -30.212
  187   1HD   LYS 265          1HD       LYS 265  10.834  -7.005 -31.661
  188   2HD   LYS 265          2HD       LYS 265  10.957  -5.783 -30.393
  189   1HE   LYS 265          1HE       LYS 265  13.171  -6.123 -30.101
  190   2HE   LYS 265          2HE       LYS 265  13.044  -7.862 -30.363
  191   1HZ   LYS 265          1HZ       LYS 265  12.646  -7.198 -32.795
  192   2HZ   LYS 265          2HZ       LYS 265  14.224  -7.124 -32.192
  193   3HZ   LYS 265          3HZ       LYS 265  13.314  -5.708 -32.358
  194    H    ALA 266           H        ALA 266   8.803  -6.143 -25.829
  195    HA   ALA 266           HA       ALA 266  11.448  -5.860 -24.877
  196   1HB   ALA 266          1HB       ALA 266  10.574  -4.379 -23.271
  197   2HB   ALA 266          2HB       ALA 266   8.987  -5.146 -23.306
  198   3HB   ALA 266          3HB       ALA 266   9.534  -4.190 -24.683
  199    H    TYR 267           H        TYR 267   8.642  -7.690 -23.739
  200    HA   TYR 267           HA       TYR 267   9.764  -8.637 -21.340
  201   1HB   TYR 267          1HB       TYR 267   7.692  -9.481 -21.151
  202   2HB   TYR 267          2HB       TYR 267   7.369  -9.068 -22.828
  203    HD1  TYR 267           HD1      TYR 267   7.489 -10.755 -24.571
  204    HD2  TYR 267           HD2      TYR 267   8.368 -11.742 -20.530
  205    HE1  TYR 267           HE1      TYR 267   7.350 -13.145 -25.131
  206    HE2  TYR 267           HE2      TYR 267   8.231 -14.134 -21.077
  207    HH   TYR 267           HH       TYR 267   8.524 -15.405 -23.861
  208    H    SER 268           H        SER 268  10.106  -9.616 -24.660
  209    HA   SER 268           HA       SER 268  11.318 -12.147 -24.128
  210   1HB   SER 268          1HB       SER 268  10.566 -12.222 -26.270
  211   2HB   SER 268          2HB       SER 268  10.749 -10.484 -26.502
  212    HG   SER 268           HG       SER 268  12.282 -11.387 -27.771
  213    H    VAL 269           H        VAL 269  12.431  -8.898 -24.130
  214    HA   VAL 269           HA       VAL 269  15.232  -9.795 -24.240
  215    HB   VAL 269           HB       VAL 269  14.302  -6.932 -24.359
  216   1HG1  VAL 269          1HG1      VAL 269  16.772  -7.947 -25.661
  217   2HG1  VAL 269          2HG1      VAL 269  16.762  -7.796 -23.904
  218   3HG1  VAL 269          3HG1      VAL 269  16.446  -6.384 -24.912
  219   1HG2  VAL 269          1HG2      VAL 269  14.603  -8.930 -26.584
  220   2HG2  VAL 269          2HG2      VAL 269  14.695  -7.190 -26.855
  221   3HG2  VAL 269          3HG2      VAL 269  13.218  -7.905 -26.210
  222    H    GLN 270           H        GLN 270  12.842  -8.911 -22.047
  223    HA   GLN 270           HA       GLN 270  14.876  -8.193 -20.038
  224   1HB   GLN 270          1HB       GLN 270  12.192  -7.059 -20.597
  225   2HB   GLN 270          2HB       GLN 270  12.646  -7.227 -18.908
  226   1HG   GLN 270          1HG       GLN 270  14.024  -5.497 -18.992
  227   2HG   GLN 270          2HG       GLN 270  14.756  -6.055 -20.492
  228   1HE2  GLN 270          1HE2      GLN 270  11.989  -4.350 -19.153
  229   2HE2  GLN 270          2HE2      GLN 270  11.674  -3.380 -20.547
  230    H    GLY 271           H        GLY 271  12.690 -10.513 -21.008
  231   1HA   GLY 271          1HA       GLY 271  11.902 -12.433 -20.027
  232   2HA   GLY 271          2HA       GLY 271  13.131 -12.186 -18.796
  233    H    ASP 272           H        ASP 272   9.789 -11.767 -19.650
  234    HA   ASP 272           HA       ASP 272   9.081 -11.539 -16.862
  235   1HB   ASP 272          1HB       ASP 272   9.571  -9.168 -17.813
  236   2HB   ASP 272          2HB       ASP 272   8.031  -9.360 -18.648
  237    H    LYS 273           H        LYS 273   8.089 -13.547 -17.364
  238    HA   LYS 273           HA       LYS 273   6.315 -14.121 -19.381
  239   1HB   LYS 273          1HB       LYS 273   5.205 -15.614 -17.511
  240   2HB   LYS 273          2HB       LYS 273   6.806 -15.980 -18.138
  241   1HG   LYS 273          1HG       LYS 273   7.833 -15.481 -16.193
  242   2HG   LYS 273          2HG       LYS 273   6.711 -14.172 -15.811
  243   1HD   LYS 273          1HD       LYS 273   5.082 -15.676 -14.994
  244   2HD   LYS 273          2HD       LYS 273   5.910 -17.070 -15.693
  245   1HE   LYS 273          1HE       LYS 273   7.551 -17.077 -14.064
  246   2HE   LYS 273          2HE       LYS 273   7.299 -15.379 -13.659
  247   1HZ   LYS 273          1HZ       LYS 273   5.995 -17.728 -12.621
  248   2HZ   LYS 273          2HZ       LYS 273   4.922 -16.489 -13.040
  249   3HZ   LYS 273          3HZ       LYS 273   6.164 -16.190 -11.934
  250    H    TRP 274           H        TRP 274   5.553 -12.661 -16.225
  251    HA   TRP 274           HA       TRP 274   2.780 -12.520 -16.540
  252   1HB   TRP 274          1HB       TRP 274   4.622 -10.652 -15.031
  253   2HB   TRP 274          2HB       TRP 274   2.872 -10.694 -14.856
  254    HD1  TRP 274           HD1      TRP 274   2.306 -13.733 -14.558
  255    HE1  TRP 274           HE1      TRP 274   3.150 -15.042 -12.511
  256    HE3  TRP 274           HE3      TRP 274   6.087 -10.616 -13.102
  257    HZ2  TRP 274           HZ2      TRP 274   5.152 -14.788 -10.538
  258    HZ3  TRP 274           HZ3      TRP 274   7.419 -11.221 -11.123
  259    HH2  TRP 274           HH2      TRP 274   6.959 -13.263  -9.869
  260    H    ARG 275           H        ARG 275   5.316 -10.254 -17.476
  261    HA   ARG 275           HA       ARG 275   3.704  -8.144 -18.353
  262   1HB   ARG 275          1HB       ARG 275   6.335  -8.463 -18.071
  263   2HB   ARG 275          2HB       ARG 275   6.227  -8.738 -19.804
  264   1HG   ARG 275          1HG       ARG 275   4.775  -6.498 -19.625
  265   2HG   ARG 275          2HG       ARG 275   5.857  -6.263 -18.249
  266   1HD   ARG 275          1HD       ARG 275   7.775  -6.732 -19.762
  267   2HD   ARG 275          2HD       ARG 275   6.640  -6.783 -21.111
  268    HE   ARG 275           HE       ARG 275   6.111  -4.381 -20.129
  269   1HH1  ARG 275          1HH1      ARG 275   9.183  -5.932 -20.687
  270   2HH1  ARG 275          2HH1      ARG 275  10.024  -4.447 -20.979
  271   1HH2  ARG 275          1HH2      ARG 275   7.211  -2.424 -20.510
  272   2HH2  ARG 275          2HH2      ARG 275   8.903  -2.452 -20.876
  273    H    ALA 276           H        ALA 276   4.870 -11.018 -20.038
  274    HA   ALA 276           HA       ALA 276   3.894 -10.223 -22.594
  275   1HB   ALA 276          1HB       ALA 276   4.335 -13.092 -21.965
  276   2HB   ALA 276          2HB       ALA 276   5.714 -11.995 -21.891
  277   3HB   ALA 276          3HB       ALA 276   4.797 -12.158 -23.389
  278    H    LEU 277           H        LEU 277   2.489 -11.857 -19.869
  279    HA   LEU 277           HA       LEU 277   0.424 -13.195 -21.247
  280   1HB   LEU 277          1HB       LEU 277   0.212 -14.096 -19.232
  281   2HB   LEU 277          2HB       LEU 277   1.282 -12.886 -18.558
  282    HG   LEU 277           HG       LEU 277  -1.046 -11.492 -18.630
  283   1HD1  LEU 277          1HD1      LEU 277  -2.745 -13.084 -17.653
  284   2HD1  LEU 277          2HD1      LEU 277  -1.739 -14.395 -18.269
  285   3HD1  LEU 277          3HD1      LEU 277  -2.454 -13.232 -19.385
  286   1HD2  LEU 277          1HD2      LEU 277  -0.092 -11.335 -16.605
  287   2HD2  LEU 277          2HD2      LEU 277   0.469 -13.008 -16.627
  288   3HD2  LEU 277          3HD2      LEU 277  -1.198 -12.641 -16.180
  289    H    GLY 278           H        GLY 278   0.386 -10.074 -19.499
  290   1HA   GLY 278          1HA       GLY 278  -2.313  -9.536 -20.332
  291   2HA   GLY 278          2HA       GLY 278  -1.246  -8.428 -19.488
  292    H    TYR 279           H        TYR 279   0.869  -8.744 -21.541
  293    HA   TYR 279           HA       TYR 279   0.006  -6.634 -23.253
  294   1HB   TYR 279          1HB       TYR 279   2.517  -8.249 -22.993
  295   2HB   TYR 279          2HB       TYR 279   2.283  -7.227 -24.406
  296    HD1  TYR 279           HD1      TYR 279   4.526  -6.370 -23.256
  297    HD2  TYR 279           HD2      TYR 279   0.611  -5.698 -21.726
  298    HE1  TYR 279           HE1      TYR 279   5.356  -4.435 -21.990
  299    HE2  TYR 279           HE2      TYR 279   1.435  -3.762 -20.457
  300    HH   TYR 279           HH       TYR 279   4.459  -3.203 -19.711
  301    H    ALA 280           H        ALA 280   0.959 -10.019 -23.904
  302    HA   ALA 280           HA       ALA 280   0.251  -9.955 -26.636
  303   1HB   ALA 280          1HB       ALA 280   1.366 -11.873 -26.506
  304   2HB   ALA 280          2HB       ALA 280  -0.066 -12.599 -25.777
  305   3HB   ALA 280          3HB       ALA 280   1.194 -11.915 -24.752
  306    H    LYS 281           H        LYS 281  -1.617 -10.317 -23.748
  307    HA   LYS 281           HA       LYS 281  -3.897 -11.552 -24.929
  308   1HB   LYS 281          1HB       LYS 281  -3.200 -11.321 -22.414
  309   2HB   LYS 281          2HB       LYS 281  -4.071  -9.795 -22.502
  310   1HG   LYS 281          1HG       LYS 281  -5.376 -12.318 -23.428
  311   2HG   LYS 281          2HG       LYS 281  -5.287 -11.945 -21.706
  312   1HD   LYS 281          1HD       LYS 281  -6.295  -9.893 -23.633
  313   2HD   LYS 281          2HD       LYS 281  -7.361 -11.191 -23.087
  314   1HE   LYS 281          1HE       LYS 281  -6.471 -10.460 -20.716
  315   2HE   LYS 281          2HE       LYS 281  -6.161  -8.938 -21.551
  316   1HZ   LYS 281          1HZ       LYS 281  -8.386  -9.155 -20.438
  317   2HZ   LYS 281          2HZ       LYS 281  -8.795 -10.291 -21.622
  318   3HZ   LYS 281          3HZ       LYS 281  -8.430  -8.701 -22.068
  319    H    ALA 282           H        ALA 282  -2.989  -8.210 -24.202
  320    HA   ALA 282           HA       ALA 282  -5.406  -7.021 -25.052
  321   1HB   ALA 282          1HB       ALA 282  -4.303  -5.447 -23.888
  322   2HB   ALA 282          2HB       ALA 282  -3.571  -5.058 -25.445
  323   3HB   ALA 282          3HB       ALA 282  -2.720  -6.103 -24.307
  324    H    ILE 283           H        ILE 283  -2.340  -7.665 -26.717
  325    HA   ILE 283           HA       ILE 283  -2.951  -6.411 -29.151
  326    HB   ILE 283           HB       ILE 283  -1.257  -8.892 -28.858
  327   1HG1  ILE 283          1HG1      ILE 283  -0.072  -6.157 -28.771
  328   2HG1  ILE 283          2HG1      ILE 283  -0.832  -6.774 -27.307
  329   1HG2  ILE 283          1HG2      ILE 283  -1.928  -7.930 -31.148
  330   2HG2  ILE 283          2HG2      ILE 283  -0.224  -8.275 -30.852
  331   3HG2  ILE 283          3HG2      ILE 283  -0.816  -6.617 -30.758
  332   1HD1  ILE 283          1HD1      ILE 283   0.700  -8.881 -27.969
  333   2HD1  ILE 283          2HD1      ILE 283   1.226  -7.570 -26.911
  334   3HD1  ILE 283          3HD1      ILE 283   1.676  -7.562 -28.617
  335    H    ASN 284           H        ASN 284  -3.654  -9.642 -27.940
  336    HA   ASN 284           HA       ASN 284  -4.574 -10.803 -30.308
  337   1HB   ASN 284          1HB       ASN 284  -4.739 -11.373 -27.456
  338   2HB   ASN 284          2HB       ASN 284  -6.143 -11.944 -28.350
  339   1HD2  ASN 284          1HD2      ASN 284  -5.826 -13.448 -30.045
  340   2HD2  ASN 284          2HD2      ASN 284  -4.419 -14.450 -30.089
  341    H    ALA 285           H        ALA 285  -6.149  -8.718 -27.970
  342    HA   ALA 285           HA       ALA 285  -8.784  -9.003 -29.012
  343   1HB   ALA 285          1HB       ALA 285  -7.590  -7.746 -26.807
  344   2HB   ALA 285          2HB       ALA 285  -9.311  -7.870 -27.175
  345   3HB   ALA 285          3HB       ALA 285  -8.392  -6.469 -27.724
  346    H    LEU 286           H        LEU 286  -6.296  -6.483 -29.369
  347    HA   LEU 286           HA       LEU 286  -7.774  -4.884 -31.173
  348   1HB   LEU 286          1HB       LEU 286  -4.778  -4.986 -31.134
  349   2HB   LEU 286          2HB       LEU 286  -5.822  -3.617 -31.449
  350    HG   LEU 286           HG       LEU 286  -5.730  -4.908 -28.739
  351   1HD1  LEU 286          1HD1      LEU 286  -3.898  -3.709 -28.081
  352   2HD1  LEU 286          2HD1      LEU 286  -4.116  -2.481 -29.328
  353   3HD1  LEU 286          3HD1      LEU 286  -3.453  -4.058 -29.752
  354   1HD2  LEU 286          1HD2      LEU 286  -7.091  -3.251 -28.126
  355   2HD2  LEU 286          2HD2      LEU 286  -7.321  -2.934 -29.846
  356   3HD2  LEU 286          3HD2      LEU 286  -6.104  -2.037 -28.939
  357    H    LYS 287           H        LYS 287  -6.019  -7.800 -31.555
  358    HA   LYS 287           HA       LYS 287  -5.175  -7.628 -34.209
  359   1HB   LYS 287          1HB       LYS 287  -5.376  -9.644 -32.211
  360   2HB   LYS 287          2HB       LYS 287  -6.080 -10.285 -33.690
  361   1HG   LYS 287          1HG       LYS 287  -4.017 -10.782 -34.328
  362   2HG   LYS 287          2HG       LYS 287  -3.747  -9.050 -34.531
  363   1HD   LYS 287          1HD       LYS 287  -2.655  -8.850 -32.505
  364   2HD   LYS 287          2HD       LYS 287  -3.424 -10.287 -31.830
  365   1HE   LYS 287          1HE       LYS 287  -0.891 -10.289 -32.601
  366   2HE   LYS 287          2HE       LYS 287  -1.921 -11.709 -32.787
  367   1HZ   LYS 287          1HZ       LYS 287  -1.411  -9.690 -34.905
  368   2HZ   LYS 287          2HZ       LYS 287  -2.320 -11.107 -35.073
  369   3HZ   LYS 287          3HZ       LYS 287  -0.654 -11.199 -34.801
  370    H    SER 288           H        SER 288  -8.314  -8.418 -32.837
  371    HA   SER 288           HA       SER 288  -9.458  -9.111 -35.396
  372   1HB   SER 288          1HB       SER 288 -10.120  -9.668 -32.760
  373   2HB   SER 288          2HB       SER 288 -11.368  -8.527 -33.265
  374    HG   SER 288           HG       SER 288 -12.121 -10.478 -33.881
  375    H    PHE 289           H        PHE 289  -8.926  -6.256 -33.605
  376    HA   PHE 289           HA       PHE 289 -11.123  -4.739 -34.637
  377   1HB   PHE 289          1HB       PHE 289  -9.556  -4.360 -32.523
  378   2HB   PHE 289          2HB       PHE 289  -8.633  -3.403 -33.675
  379    HD1  PHE 289           HD1      PHE 289 -12.083  -3.368 -34.501
  380    HD2  PHE 289           HD2      PHE 289  -9.212  -1.637 -31.876
  381    HE1  PHE 289           HE1      PHE 289 -13.591  -1.465 -34.113
  382    HE2  PHE 289           HE2      PHE 289 -10.717   0.269 -31.484
  383    HZ   PHE 289           HZ       PHE 289 -12.909   0.356 -32.602
  384    H    HIS 290           H        HIS 290 -11.261  -4.444 -36.777
  385    HA   HIS 290           HA       HIS 290  -8.831  -3.871 -38.309
  386   1HB   HIS 290          1HB       HIS 290 -10.708  -5.612 -38.945
  387   2HB   HIS 290          2HB       HIS 290 -11.520  -4.187 -39.583
  388    HD1  HIS 290           HD1      HIS 290  -8.833  -6.594 -40.315
  389    HD2  HIS 290           HD2      HIS 290 -10.113  -2.907 -41.737
  390    HE1  HIS 290           HE1      HIS 290  -7.678  -6.288 -42.529
  391    HE2  HIS 290           HE2      HIS 290  -8.532  -4.088 -43.408
  392    H    LYS 291           H        LYS 291 -11.277  -2.231 -36.758
  393    HA   LYS 291           HA       LYS 291 -11.170   0.028 -38.636
  394   1HB   LYS 291          1HB       LYS 291 -13.056  -0.017 -36.323
  395   2HB   LYS 291          2HB       LYS 291 -13.251   0.711 -37.911
  396   1HG   LYS 291          1HG       LYS 291 -13.052  -2.203 -37.970
  397   2HG   LYS 291          2HG       LYS 291 -14.441  -1.594 -37.067
  398   1HD   LYS 291          1HD       LYS 291 -14.441  -0.017 -39.316
  399   2HD   LYS 291          2HD       LYS 291 -13.917  -1.583 -39.941
  400   1HE   LYS 291          1HE       LYS 291 -16.354  -1.180 -38.214
  401   2HE   LYS 291          2HE       LYS 291 -16.390  -1.226 -39.976
  402   1HZ   LYS 291          1HZ       LYS 291 -16.926  -3.370 -38.873
  403   2HZ   LYS 291          2HZ       LYS 291 -15.336  -3.433 -38.298
  404   3HZ   LYS 291          3HZ       LYS 291 -15.634  -3.464 -39.962
  405    HA   PRO 292           HA       PRO 292  -8.221   2.018 -35.928
  406   1HB   PRO 292          1HB       PRO 292  -9.493   4.411 -37.176
  407   2HB   PRO 292          2HB       PRO 292  -7.779   4.029 -36.967
  408   1HG   PRO 292          1HG       PRO 292  -8.909   3.739 -39.339
  409   2HG   PRO 292          2HG       PRO 292  -7.773   2.515 -38.742
  410   1HD   PRO 292          1HD       PRO 292 -10.753   2.429 -38.892
  411   2HD   PRO 292          2HD       PRO 292  -9.574   1.134 -39.174
  412    H    VAL 293           H        VAL 293  -8.471   2.484 -33.831
  413    HA   VAL 293           HA       VAL 293 -11.037   3.008 -32.710
  414    HB   VAL 293           HB       VAL 293  -9.030   1.798 -31.620
  415   1HG1  VAL 293          1HG1      VAL 293  -8.352   4.397 -30.366
  416   2HG1  VAL 293          2HG1      VAL 293  -7.690   4.071 -31.968
  417   3HG1  VAL 293          3HG1      VAL 293  -7.352   2.969 -30.634
  418   1HG2  VAL 293          1HG2      VAL 293 -10.398   3.788 -29.841
  419   2HG2  VAL 293          2HG2      VAL 293  -9.951   2.118 -29.495
  420   3HG2  VAL 293          3HG2      VAL 293 -11.279   2.465 -30.603
  421    H    THR 294           H        THR 294 -11.379   4.856 -31.144
  422    HA   THR 294           HA       THR 294 -10.078   7.335 -32.013
  423    HB   THR 294           HB       THR 294 -12.743   8.072 -31.616
  424    HG1  THR 294           HG1      THR 294 -13.066   5.689 -32.026
  425   1HG2  THR 294          1HG2      THR 294 -11.518   9.260 -33.193
  426   2HG2  THR 294          2HG2      THR 294 -12.618   8.320 -34.201
  427   3HG2  THR 294          3HG2      THR 294 -10.946   7.797 -33.997
  428    H    SER 295           H        SER 295 -11.768   5.498 -29.606
  429    HA   SER 295           HA       SER 295 -10.820   7.321 -27.556
  430   1HB   SER 295          1HB       SER 295 -13.432   7.592 -28.446
  431   2HB   SER 295          2HB       SER 295 -13.590   6.590 -27.003
  432    HG   SER 295           HG       SER 295 -13.643   8.863 -26.564
  433    H    TYR 296           H        TYR 296 -11.512   6.414 -25.316
  434    HA   TYR 296           HA       TYR 296 -10.507   3.744 -25.173
  435   1HB   TYR 296          1HB       TYR 296 -10.556   4.017 -22.805
  436   2HB   TYR 296          2HB       TYR 296 -10.087   5.573 -23.477
  437    HD1  TYR 296           HD1      TYR 296 -12.539   6.866 -24.200
  438    HD2  TYR 296           HD2      TYR 296 -11.754   4.344 -20.865
  439    HE1  TYR 296           HE1      TYR 296 -14.367   7.943 -22.967
  440    HE2  TYR 296           HE2      TYR 296 -13.577   5.416 -19.618
  441    HH   TYR 296           HH       TYR 296 -15.157   6.975 -19.636
  442    H    GLN 297           H        GLN 297 -13.673   5.223 -24.987
  443    HA   GLN 297           HA       GLN 297 -15.044   2.971 -23.925
  444   1HB   GLN 297          1HB       GLN 297 -15.697   5.606 -24.517
  445   2HB   GLN 297          2HB       GLN 297 -16.662   4.670 -25.652
  446   1HG   GLN 297          1HG       GLN 297 -16.960   3.359 -23.218
  447   2HG   GLN 297          2HG       GLN 297 -17.020   5.076 -22.822
  448   1HE2  GLN 297          1HE2      GLN 297 -18.973   2.656 -23.254
  449   2HE2  GLN 297          2HE2      GLN 297 -20.291   3.397 -24.090
  450    H    GLU 298           H        GLU 298 -14.343   4.118 -27.174
  451    HA   GLU 298           HA       GLU 298 -15.916   2.222 -28.558
  452   1HB   GLU 298          1HB       GLU 298 -13.427   3.257 -29.800
  453   2HB   GLU 298          2HB       GLU 298 -15.038   3.110 -30.481
  454   1HG   GLU 298          1HG       GLU 298 -14.632   5.085 -28.302
  455   2HG   GLU 298          2HG       GLU 298 -13.964   5.452 -29.894
  456    H    ALA 299           H        ALA 299 -12.689   2.170 -27.231
  457    HA   ALA 299           HA       ALA 299 -12.025  -0.359 -28.489
  458   1HB   ALA 299          1HB       ALA 299 -10.268   0.507 -26.337
  459   2HB   ALA 299          2HB       ALA 299 -10.518   1.753 -27.561
  460   3HB   ALA 299          3HB       ALA 299  -9.903   0.167 -28.029
  461    H    CYS 300           H        CYS 300 -13.430   0.791 -25.569
  462    HA   CYS 300           HA       CYS 300 -12.817  -1.459 -23.926
  463   1HB   CYS 300          1HB       CYS 300 -13.451   0.764 -23.017
  464   2HB   CYS 300          2HB       CYS 300 -15.079   0.531 -23.645
  465    HG   CYS 300           HG       CYS 300 -13.567  -1.193 -21.112
  466    H    SER 301           H        SER 301 -15.186  -0.782 -26.346
  467    HA   SER 301           HA       SER 301 -17.212  -2.574 -25.621
  468   1HB   SER 301          1HB       SER 301 -16.836  -0.819 -27.687
  469   2HB   SER 301          2HB       SER 301 -16.687  -2.371 -28.512
  470    HG   SER 301           HG       SER 301 -18.896  -1.155 -27.476
  471    H    ILE 302           H        ILE 302 -14.053  -3.093 -26.855
  472    HA   ILE 302           HA       ILE 302 -14.513  -5.722 -27.910
  473    HB   ILE 302           HB       ILE 302 -11.858  -4.541 -27.092
  474   1HG1  ILE 302          1HG1      ILE 302 -13.039  -4.359 -29.856
  475   2HG1  ILE 302          2HG1      ILE 302 -13.331  -3.105 -28.657
  476   1HG2  ILE 302          1HG2      ILE 302 -10.986  -6.404 -27.921
  477   2HG2  ILE 302          2HG2      ILE 302 -11.807  -6.138 -29.459
  478   3HG2  ILE 302          3HG2      ILE 302 -12.615  -7.033 -28.172
  479   1HD1  ILE 302          1HD1      ILE 302 -11.014  -2.575 -28.540
  480   2HD1  ILE 302          2HD1      ILE 302 -11.467  -2.641 -30.244
  481   3HD1  ILE 302          3HD1      ILE 302 -10.588  -3.984 -29.513
  482    HA   PRO 303           HA       PRO 303 -14.789  -7.690 -23.883
  483   1HB   PRO 303          1HB       PRO 303 -14.200 -10.070 -25.575
  484   2HB   PRO 303          2HB       PRO 303 -15.483  -9.825 -24.383
  485   1HG   PRO 303          1HG       PRO 303 -16.033  -9.736 -26.980
  486   2HG   PRO 303          2HG       PRO 303 -16.793  -8.591 -25.857
  487   1HD   PRO 303          1HD       PRO 303 -14.541  -8.156 -27.775
  488   2HD   PRO 303          2HD       PRO 303 -15.875  -7.070 -27.335
  489    H    GLY 304           H        GLY 304 -12.177  -8.222 -26.195
  490   1HA   GLY 304          1HA       GLY 304 -10.458  -9.517 -24.290
  491   2HA   GLY 304          2HA       GLY 304 -10.006  -8.959 -25.892
  492    H    ILE 305           H        ILE 305 -11.516  -6.529 -24.108
  493    HA   ILE 305           HA       ILE 305  -9.008  -5.537 -22.970
  494    HB   ILE 305           HB       ILE 305 -10.717  -3.624 -24.516
  495   1HG1  ILE 305          1HG1      ILE 305  -8.492  -5.328 -25.663
  496   2HG1  ILE 305          2HG1      ILE 305 -10.190  -5.380 -26.127
  497   1HG2  ILE 305          1HG2      ILE 305  -7.815  -3.322 -24.492
  498   2HG2  ILE 305          2HG2      ILE 305  -8.539  -3.329 -22.885
  499   3HG2  ILE 305          3HG2      ILE 305  -9.080  -2.162 -24.090
  500   1HD1  ILE 305          1HD1      ILE 305  -9.536  -2.747 -26.513
  501   2HD1  ILE 305          2HD1      ILE 305  -9.604  -3.993 -27.761
  502   3HD1  ILE 305          3HD1      ILE 305  -8.067  -3.597 -26.992
  503    H    GLY 306           H        GLY 306  -9.253  -4.278 -21.170
  504   1HA   GLY 306          1HA       GLY 306 -12.003  -4.080 -20.133
  505   2HA   GLY 306          2HA       GLY 306 -10.553  -4.160 -19.145
  506    H    LYS 307           H        LYS 307 -11.595  -2.287 -18.092
  507    HA   LYS 307           HA       LYS 307 -11.790   0.195 -19.491
  508   1HB   LYS 307          1HB       LYS 307 -13.153  -0.293 -17.503
  509   2HB   LYS 307          2HB       LYS 307 -11.697  -0.359 -16.520
  510   1HG   LYS 307          1HG       LYS 307 -11.499   1.883 -16.417
  511   2HG   LYS 307          2HG       LYS 307 -12.095   2.120 -18.061
  512   1HD   LYS 307          1HD       LYS 307 -14.133   1.078 -16.264
  513   2HD   LYS 307          2HD       LYS 307 -13.488   2.633 -15.735
  514   1HE   LYS 307          1HE       LYS 307 -15.204   3.290 -17.125
  515   2HE   LYS 307          2HE       LYS 307 -13.827   3.311 -18.225
  516   1HZ   LYS 307          1HZ       LYS 307 -15.323   2.142 -19.455
  517   2HZ   LYS 307          2HZ       LYS 307 -16.088   1.454 -18.113
  518   3HZ   LYS 307          3HZ       LYS 307 -14.595   0.854 -18.634
  519    H    ARG 308           H        ARG 308  -9.455  -1.191 -17.205
  520    HA   ARG 308           HA       ARG 308  -7.739   1.007 -17.025
  521   1HB   ARG 308          1HB       ARG 308  -7.564  -1.882 -16.458
  522   2HB   ARG 308          2HB       ARG 308  -6.024  -1.094 -16.770
  523   1HG   ARG 308          1HG       ARG 308  -7.195   0.655 -15.041
  524   2HG   ARG 308          2HG       ARG 308  -7.807  -0.897 -14.463
  525   1HD   ARG 308          1HD       ARG 308  -4.927  -0.781 -15.112
  526   2HD   ARG 308          2HD       ARG 308  -5.447   0.146 -13.705
  527    HE   ARG 308           HE       ARG 308  -5.616  -2.762 -14.030
  528   1HH1  ARG 308          1HH1      ARG 308  -6.001   0.080 -12.052
  529   2HH1  ARG 308          2HH1      ARG 308  -6.126  -0.811 -10.572
  530   1HH2  ARG 308          1HH2      ARG 308  -5.781  -3.941 -12.084
  531   2HH2  ARG 308          2HH2      ARG 308  -6.001  -3.094 -10.589
  532    H    MET 309           H        MET 309  -7.656  -1.778 -19.232
  533    HA   MET 309           HA       MET 309  -5.362  -0.934 -20.654
  534   1HB   MET 309          1HB       MET 309  -7.232  -3.108 -20.771
  535   2HB   MET 309          2HB       MET 309  -7.003  -2.455 -22.387
  536   1HG   MET 309          1HG       MET 309  -5.387  -4.111 -22.207
  537   2HG   MET 309          2HG       MET 309  -4.509  -2.611 -21.914
  538   1HE   MET 309          1HE       MET 309  -3.193  -5.211 -21.293
  539   2HE   MET 309          2HE       MET 309  -4.591  -6.158 -20.785
  540   3HE   MET 309          3HE       MET 309  -3.282  -5.838 -19.647
  541    H    ALA 310           H        ALA 310  -8.796  -0.324 -21.023
  542    HA   ALA 310           HA       ALA 310  -8.871   0.780 -23.565
  543   1HB   ALA 310          1HB       ALA 310 -10.707   0.408 -21.628
  544   2HB   ALA 310          2HB       ALA 310 -10.980   1.406 -23.055
  545   3HB   ALA 310          3HB       ALA 310 -10.503   2.157 -21.533
  546    H    GLU 311           H        GLU 311  -8.377   2.478 -20.466
  547    HA   GLU 311           HA       GLU 311  -7.849   4.999 -21.620
  548   1HB   GLU 311          1HB       GLU 311  -7.211   3.800 -18.931
  549   2HB   GLU 311          2HB       GLU 311  -6.720   5.434 -19.355
  550   1HG   GLU 311          1HG       GLU 311  -9.566   4.676 -19.731
  551   2HG   GLU 311          2HG       GLU 311  -8.974   4.953 -18.093
  552    H    LYS 312           H        LYS 312  -5.865   2.198 -20.999
  553    HA   LYS 312           HA       LYS 312  -3.328   3.409 -21.176
  554   1HB   LYS 312          1HB       LYS 312  -3.744   1.091 -20.361
  555   2HB   LYS 312          2HB       LYS 312  -4.090   0.605 -22.013
  556   1HG   LYS 312          1HG       LYS 312  -1.839  -0.022 -21.420
  557   2HG   LYS 312          2HG       LYS 312  -1.804   1.231 -22.661
  558   1HD   LYS 312          1HD       LYS 312  -0.677   2.629 -21.336
  559   2HD   LYS 312          2HD       LYS 312  -1.787   2.358 -19.990
  560   1HE   LYS 312          1HE       LYS 312  -0.461   0.794 -19.041
  561   2HE   LYS 312          2HE       LYS 312   0.063   0.144 -20.592
  562   1HZ   LYS 312          1HZ       LYS 312   1.499   1.787 -18.907
  563   2HZ   LYS 312          2HZ       LYS 312   1.068   2.768 -20.215
  564   3HZ   LYS 312          3HZ       LYS 312   1.917   1.329 -20.481
  565    H    ILE 313           H        ILE 313  -5.506   2.073 -23.603
  566    HA   ILE 313           HA       ILE 313  -3.798   2.307 -25.834
  567    HB   ILE 313           HB       ILE 313  -6.821   2.444 -25.728
  568   1HG1  ILE 313          1HG1      ILE 313  -5.396   0.016 -26.659
  569   2HG1  ILE 313          2HG1      ILE 313  -5.308   0.356 -24.934
  570   1HG2  ILE 313          1HG2      ILE 313  -6.211   3.294 -27.832
  571   2HG2  ILE 313          2HG2      ILE 313  -6.588   1.592 -28.115
  572   3HG2  ILE 313          3HG2      ILE 313  -4.907   2.121 -28.022
  573   1HD1  ILE 313          1HD1      ILE 313  -7.685  -0.291 -26.614
  574   2HD1  ILE 313          2HD1      ILE 313  -7.878   0.606 -25.109
  575   3HD1  ILE 313          3HD1      ILE 313  -7.158  -1.004 -25.089
  576    H    ILE 314           H        ILE 314  -5.942   4.565 -24.217
  577    HA   ILE 314           HA       ILE 314  -5.785   6.606 -26.210
  578    HB   ILE 314           HB       ILE 314  -6.530   6.825 -23.291
  579   1HG1  ILE 314          1HG1      ILE 314  -7.968   5.269 -24.546
  580   2HG1  ILE 314          2HG1      ILE 314  -8.844   6.720 -24.073
  581   1HG2  ILE 314          1HG2      ILE 314  -7.866   8.811 -24.605
  582   2HG2  ILE 314          2HG2      ILE 314  -6.316   8.793 -25.445
  583   3HG2  ILE 314          3HG2      ILE 314  -6.369   9.022 -23.697
  584   1HD1  ILE 314          1HD1      ILE 314  -8.563   5.594 -26.645
  585   2HD1  ILE 314          2HD1      ILE 314  -7.729   7.148 -26.650
  586   3HD1  ILE 314          3HD1      ILE 314  -9.425   7.060 -26.176
  587    H    GLU 315           H        GLU 315  -3.956   5.762 -23.340
  588    HA   GLU 315           HA       GLU 315  -2.515   8.135 -22.996
  589   1HB   GLU 315          1HB       GLU 315  -2.542   5.586 -21.851
  590   2HB   GLU 315          2HB       GLU 315  -0.898   5.813 -22.428
  591   1HG   GLU 315          1HG       GLU 315  -1.287   6.510 -20.074
  592   2HG   GLU 315          2HG       GLU 315  -0.616   7.760 -21.119
  593    H    ILE 316           H        ILE 316  -1.973   5.344 -25.062
  594    HA   ILE 316           HA       ILE 316   0.557   6.275 -26.059
  595    HB   ILE 316           HB       ILE 316  -1.280   4.132 -27.154
  596   1HG1  ILE 316          1HG1      ILE 316   1.227   3.552 -25.637
  597   2HG1  ILE 316          2HG1      ILE 316  -0.209   4.014 -24.731
  598   1HG2  ILE 316          1HG2      ILE 316   0.105   4.235 -28.912
  599   2HG2  ILE 316          2HG2      ILE 316   1.285   3.465 -27.850
  600   3HG2  ILE 316          3HG2      ILE 316   1.283   5.217 -28.043
  601   1HD1  ILE 316          1HD1      ILE 316   0.454   1.479 -25.534
  602   2HD1  ILE 316          2HD1      ILE 316  -0.745   1.974 -26.728
  603   3HD1  ILE 316          3HD1      ILE 316  -1.141   2.017 -25.010
  604    H    LEU 317           H        LEU 317  -2.771   6.716 -26.832
  605    HA   LEU 317           HA       LEU 317  -2.339   7.623 -29.527
  606   1HB   LEU 317          1HB       LEU 317  -4.691   7.498 -27.692
  607   2HB   LEU 317          2HB       LEU 317  -4.784   8.421 -29.177
  608    HG   LEU 317           HG       LEU 317  -3.909   5.564 -29.265
  609   1HD1  LEU 317          1HD1      LEU 317  -6.391   5.091 -29.740
  610   2HD1  LEU 317          2HD1      LEU 317  -6.694   6.588 -28.857
  611   3HD1  LEU 317          3HD1      LEU 317  -5.873   5.246 -28.061
  612   1HD2  LEU 317          1HD2      LEU 317  -4.104   5.830 -31.468
  613   2HD2  LEU 317          2HD2      LEU 317  -4.250   7.559 -31.149
  614   3HD2  LEU 317          3HD2      LEU 317  -5.699   6.568 -31.313
  615    H    GLU 318           H        GLU 318  -2.057   8.964 -26.440
  616    HA   GLU 318           HA       GLU 318  -2.899  11.531 -26.506
  617   1HB   GLU 318          1HB       GLU 318  -0.520  10.203 -25.332
  618   2HB   GLU 318          2HB       GLU 318  -0.502  11.961 -25.376
  619   1HG   GLU 318          1HG       GLU 318  -2.962  11.555 -24.385
  620   2HG   GLU 318          2HG       GLU 318  -2.143  10.120 -23.770
  621    H    SER 319           H        SER 319   0.560  11.129 -27.143
  622    HA   SER 319           HA       SER 319   0.277  12.785 -29.550
  623   1HB   SER 319          1HB       SER 319   0.913  14.181 -27.549
  624   2HB   SER 319          2HB       SER 319   2.413  13.259 -27.464
  625    HG   SER 319           HG       SER 319   1.944  15.375 -28.925
  626    H    GLY 320           H        GLY 320   1.364  12.008 -31.237
  627   1HA   GLY 320          1HA       GLY 320   3.264   9.822 -30.754
  628   2HA   GLY 320          2HA       GLY 320   2.429  10.140 -32.267
  629    H    HIS 321           H        HIS 321   3.532  13.021 -31.008
  630    HA   HIS 321           HA       HIS 321   6.265  12.939 -31.772
  631   1HB   HIS 321          1HB       HIS 321   4.433  13.205 -33.914
  632   2HB   HIS 321          2HB       HIS 321   5.171  14.785 -33.679
  633    HD1  HIS 321           HD1      HIS 321   5.623  12.061 -35.739
  634    HD2  HIS 321           HD2      HIS 321   8.237  14.155 -33.280
  635    HE1  HIS 321           HE1      HIS 321   7.921  11.584 -36.641
  636    HE2  HIS 321           HE2      HIS 321   9.491  12.822 -35.108
  637    H    LEU 322           H        LEU 322   7.237  15.147 -31.832
  638    HA   LEU 322           HA       LEU 322   5.643  17.105 -30.323
  639   1HB   LEU 322          1HB       LEU 322   8.364  16.016 -29.695
  640   2HB   LEU 322          2HB       LEU 322   7.937  17.643 -29.204
  641    HG   LEU 322           HG       LEU 322   5.940  15.643 -28.448
  642   1HD1  LEU 322          1HD1      LEU 322   8.788  15.365 -27.587
  643   2HD1  LEU 322          2HD1      LEU 322   7.622  14.116 -28.021
  644   3HD1  LEU 322          3HD1      LEU 322   7.477  14.958 -26.479
  645   1HD2  LEU 322          1HD2      LEU 322   7.411  17.392 -26.546
  646   2HD2  LEU 322          2HD2      LEU 322   5.697  16.980 -26.610
  647   3HD2  LEU 322          3HD2      LEU 322   6.366  18.148 -27.750
  648    H    ARG 323           H        ARG 323   5.344  18.590 -31.896
  649    HA   ARG 323           HA       ARG 323   7.614  19.410 -33.544
  650   1HB   ARG 323          1HB       ARG 323   4.728  19.352 -33.869
  651   2HB   ARG 323          2HB       ARG 323   5.398  20.920 -34.296
  652   1HG   ARG 323          1HG       ARG 323   7.062  18.940 -35.441
  653   2HG   ARG 323          2HG       ARG 323   5.388  18.518 -35.806
  654   1HD   ARG 323          1HD       ARG 323   5.026  20.805 -36.652
  655   2HD   ARG 323          2HD       ARG 323   6.722  21.171 -36.339
  656    HE   ARG 323           HE       ARG 323   6.828  18.987 -37.944
  657   1HH1  ARG 323          1HH1      ARG 323   5.249  22.084 -38.189
  658   2HH1  ARG 323          2HH1      ARG 323   5.336  22.134 -39.918
  659   1HH2  ARG 323          1HH2      ARG 323   6.946  19.045 -40.219
  660   2HH2  ARG 323          2HH2      ARG 323   6.299  20.407 -41.073
  661    H    LYS 324           H        LYS 324   7.681  21.832 -34.048
  662    HA   LYS 324           HA       LYS 324   7.747  23.257 -31.490
  663   1HB   LYS 324          1HB       LYS 324   9.177  23.581 -34.104
  664   2HB   LYS 324          2HB       LYS 324   9.060  24.944 -33.000
  665   1HG   LYS 324          1HG       LYS 324  10.194  23.701 -31.275
  666   2HG   LYS 324          2HG       LYS 324  10.215  22.257 -32.288
  667   1HD   LYS 324          1HD       LYS 324  12.213  22.935 -33.014
  668   2HD   LYS 324          2HD       LYS 324  11.364  24.219 -33.876
  669   1HE   LYS 324          1HE       LYS 324  12.143  25.798 -32.499
  670   2HE   LYS 324          2HE       LYS 324  11.789  24.836 -31.064
  671   1HZ   LYS 324          1HZ       LYS 324  14.183  25.333 -31.408
  672   2HZ   LYS 324          2HZ       LYS 324  14.147  24.384 -32.807
  673   3HZ   LYS 324          3HZ       LYS 324  13.837  23.680 -31.301
  674    H    LEU 325           H        LEU 325   7.331  25.690 -31.688
  675    HA   LEU 325           HA       LEU 325   4.897  26.098 -33.299
  676   1HB   LEU 325          1HB       LEU 325   5.255  26.289 -30.526
  677   2HB   LEU 325          2HB       LEU 325   5.162  27.945 -31.097
  678    HG   LEU 325           HG       LEU 325   3.082  26.333 -32.294
  679   1HD1  LEU 325          1HD1      LEU 325   2.369  25.103 -30.595
  680   2HD1  LEU 325          2HD1      LEU 325   2.150  26.569 -29.640
  681   3HD1  LEU 325          3HD1      LEU 325   3.683  25.699 -29.582
  682   1HD2  LEU 325          1HD2      LEU 325   3.497  28.938 -31.084
  683   2HD2  LEU 325          2HD2      LEU 325   1.942  28.234 -30.643
  684   3HD2  LEU 325          3HD2      LEU 325   2.364  28.443 -32.342
  685    H    ASP 326           H        ASP 326   4.646  27.986 -34.431
  686    HA   ASP 326           HA       ASP 326   7.080  29.593 -34.745
  687   1HB   ASP 326          1HB       ASP 326   6.139  28.479 -36.760
  688   2HB   ASP 326          2HB       ASP 326   4.667  29.425 -36.562
  689    H    HIS 327           H        HIS 327   7.112  31.391 -33.580
  690    HA   HIS 327           HA       HIS 327   4.595  32.853 -33.149
  691   1HB   HIS 327          1HB       HIS 327   5.686  32.194 -31.077
  692   2HB   HIS 327          2HB       HIS 327   7.195  32.934 -31.602
  693    HD1  HIS 327           HD1      HIS 327   7.528  35.349 -31.035
  694    HD2  HIS 327           HD2      HIS 327   3.586  34.133 -30.540
  695    HE1  HIS 327           HE1      HIS 327   6.359  37.288 -29.942
  696    HE2  HIS 327           HE2      HIS 327   3.995  36.497 -29.575
  Start of MODEL    5
    1    HA   ALA 242           HA       ALA 242 -12.909 -14.980 -53.113
    2   1HB   ALA 242          1HB       ALA 242 -15.224 -13.657 -54.403
    3   2HB   ALA 242          2HB       ALA 242 -14.052 -14.796 -55.066
    4   3HB   ALA 242          3HB       ALA 242 -13.615 -13.100 -54.864
    5    H    GLN 243           H        GLN 243 -11.988 -12.638 -54.076
    6    HA   GLN 243           HA       GLN 243 -12.219 -10.577 -52.047
    7   1HB   GLN 243          1HB       GLN 243 -10.538 -11.979 -51.038
    8   2HB   GLN 243          2HB       GLN 243  -9.645 -12.077 -52.549
    9   1HG   GLN 243          1HG       GLN 243  -9.109  -9.716 -52.415
   10   2HG   GLN 243          2HG       GLN 243 -10.060  -9.567 -50.939
   11   1HE2  GLN 243          1HE2      GLN 243  -7.052  -9.527 -51.902
   12   2HE2  GLN 243          2HE2      GLN 243  -6.252 -10.325 -50.595
   13    HA   PRO 244           HA       PRO 244 -11.627  -8.181 -55.745
   14   1HB   PRO 244          1HB       PRO 244 -11.348  -5.740 -54.601
   15   2HB   PRO 244          2HB       PRO 244 -12.907  -6.563 -54.729
   16   1HG   PRO 244          1HG       PRO 244 -11.045  -6.384 -52.391
   17   2HG   PRO 244          2HG       PRO 244 -12.811  -6.222 -52.429
   18   1HD   PRO 244          1HD       PRO 244 -11.569  -8.503 -51.659
   19   2HD   PRO 244          2HD       PRO 244 -13.144  -8.501 -52.477
   20    H    SER 245           H        SER 245  -9.982  -7.136 -56.890
   21    HA   SER 245           HA       SER 245  -7.319  -7.421 -55.697
   22   1HB   SER 245          1HB       SER 245  -8.088  -7.077 -58.606
   23   2HB   SER 245          2HB       SER 245  -6.472  -7.424 -57.989
   24    HG   SER 245           HG       SER 245  -7.761  -9.315 -56.971
   25    H    SER 246           H        SER 246  -8.990  -5.179 -55.021
   26    HA   SER 246           HA       SER 246  -7.945  -2.911 -56.492
   27   1HB   SER 246          1HB       SER 246  -9.220  -1.718 -54.485
   28   2HB   SER 246          2HB       SER 246 -10.098  -2.404 -55.852
   29    HG   SER 246           HG       SER 246 -10.385  -3.011 -53.321
   30    H    GLN 247           H        GLN 247  -7.097  -4.770 -53.766
   31    HA   GLN 247           HA       GLN 247  -5.411  -4.653 -52.254
   32   1HB   GLN 247          1HB       GLN 247  -3.991  -4.205 -54.179
   33   2HB   GLN 247          2HB       GLN 247  -4.392  -2.494 -54.109
   34   1HG   GLN 247          1HG       GLN 247  -2.335  -2.531 -53.104
   35   2HG   GLN 247          2HG       GLN 247  -3.409  -2.631 -51.711
   36   1HE2  GLN 247          1HE2      GLN 247  -0.788  -3.416 -51.547
   37   2HE2  GLN 247          2HE2      GLN 247  -0.707  -5.130 -51.346
   38    H    LYS 248           H        LYS 248  -5.258  -1.211 -53.045
   39    HA   LYS 248           HA       LYS 248  -5.563   0.653 -51.783
   40   1HB   LYS 248          1HB       LYS 248  -7.755  -1.015 -50.534
   41   2HB   LYS 248          2HB       LYS 248  -7.581   0.726 -50.363
   42   1HG   LYS 248          1HG       LYS 248  -7.647   0.648 -52.996
   43   2HG   LYS 248          2HG       LYS 248  -8.488  -0.873 -52.694
   44   1HD   LYS 248          1HD       LYS 248 -10.351   0.306 -52.388
   45   2HD   LYS 248          2HD       LYS 248  -9.624   0.962 -50.919
   46   1HE   LYS 248          1HE       LYS 248  -8.468   2.508 -52.835
   47   2HE   LYS 248          2HE       LYS 248 -10.058   2.213 -53.538
   48   1HZ   LYS 248          1HZ       LYS 248 -10.606   3.975 -52.274
   49   2HZ   LYS 248          2HZ       LYS 248  -9.327   3.757 -51.190
   50   3HZ   LYS 248          3HZ       LYS 248 -10.729   2.824 -51.040
   51    H    ALA 249           H        ALA 249  -3.407  -0.093 -50.886
   52    HA   ALA 249           HA       ALA 249  -3.311  -1.247 -48.283
   53   1HB   ALA 249          1HB       ALA 249  -1.237   0.275 -49.854
   54   2HB   ALA 249          2HB       ALA 249  -1.421  -1.476 -49.751
   55   3HB   ALA 249          3HB       ALA 249  -0.928  -0.554 -48.330
   56    H    THR 250           H        THR 250  -4.570  -0.087 -46.859
   57    HA   THR 250           HA       THR 250  -3.614   2.633 -46.241
   58    HB   THR 250           HB       THR 250  -6.305   2.205 -45.297
   59    HG1  THR 250           HG1      THR 250  -6.760   0.935 -47.026
   60   1HG2  THR 250          1HG2      THR 250  -4.905   4.157 -47.099
   61   2HG2  THR 250          2HG2      THR 250  -5.538   4.410 -45.473
   62   3HG2  THR 250          3HG2      THR 250  -6.646   4.238 -46.834
   63    H    ASN 251           H        ASN 251  -4.094   3.297 -43.968
   64    HA   ASN 251           HA       ASN 251  -3.791   1.000 -42.148
   65   1HB   ASN 251          1HB       ASN 251  -2.733   3.079 -40.743
   66   2HB   ASN 251          2HB       ASN 251  -1.789   1.966 -41.727
   67   1HD2  ASN 251          1HD2      ASN 251  -1.388   2.601 -43.963
   68   2HD2  ASN 251          2HD2      ASN 251  -1.200   4.279 -44.329
   69    H    HIS 252           H        HIS 252  -5.567   0.696 -40.990
   70    HA   HIS 252           HA       HIS 252  -7.327   2.944 -40.397
   71   1HB   HIS 252          1HB       HIS 252  -7.625  -0.042 -40.261
   72   2HB   HIS 252          2HB       HIS 252  -8.750   1.004 -39.405
   73    HD1  HIS 252           HD1      HIS 252  -7.919   2.811 -42.326
   74    HD2  HIS 252           HD2      HIS 252 -10.356  -0.463 -41.546
   75    HE1  HIS 252           HE1      HIS 252  -9.515   2.683 -44.265
   76    HE2  HIS 252           HE2      HIS 252 -11.015   0.727 -43.746
   77    H    ASN 253           H        ASN 253  -5.450   3.701 -38.967
   78    HA   ASN 253           HA       ASN 253  -4.614   4.127 -36.891
   79   1HB   ASN 253          1HB       ASN 253  -7.281   2.945 -36.114
   80   2HB   ASN 253          2HB       ASN 253  -6.201   3.760 -34.986
   81   1HD2  ASN 253          1HD2      ASN 253  -8.198   4.167 -37.830
   82   2HD2  ASN 253          2HD2      ASN 253  -8.388   5.879 -37.688
   83    H    LEU 254           H        LEU 254  -3.105   2.294 -37.558
   84    HA   LEU 254           HA       LEU 254  -3.336   0.084 -35.639
   85   1HB   LEU 254          1HB       LEU 254  -1.826   0.010 -38.237
   86   2HB   LEU 254          2HB       LEU 254  -2.249  -1.331 -37.198
   87    HG   LEU 254           HG       LEU 254  -4.605   0.108 -38.110
   88   1HD1  LEU 254          1HD1      LEU 254  -3.994  -1.283 -40.426
   89   2HD1  LEU 254          2HD1      LEU 254  -2.506  -0.418 -40.041
   90   3HD1  LEU 254          3HD1      LEU 254  -4.019   0.469 -40.227
   91   1HD2  LEU 254          1HD2      LEU 254  -4.813  -2.043 -37.114
   92   2HD2  LEU 254          2HD2      LEU 254  -3.635  -2.743 -38.222
   93   3HD2  LEU 254          3HD2      LEU 254  -5.210  -2.224 -38.823
   94    H    HIS 255           H        HIS 255  -2.037   2.803 -35.449
   95    HA   HIS 255           HA       HIS 255   0.794   2.263 -35.368
   96   1HB   HIS 255          1HB       HIS 255   0.129   4.505 -35.917
   97   2HB   HIS 255          2HB       HIS 255  -0.873   4.622 -34.476
   98    HD1  HIS 255           HD1      HIS 255   2.806   4.243 -35.359
   99    HD2  HIS 255           HD2      HIS 255   0.370   5.800 -32.375
  100    HE1  HIS 255           HE1      HIS 255   4.359   5.415 -33.767
  101    HE2  HIS 255           HE2      HIS 255   2.873   6.263 -31.917
  102    H    ILE 256           H        ILE 256  -1.881   2.423 -33.117
  103    HA   ILE 256           HA       ILE 256  -0.361   2.343 -30.728
  104    HB   ILE 256           HB       ILE 256  -2.727   1.106 -30.061
  105   1HG1  ILE 256          1HG1      ILE 256  -3.602   3.254 -31.942
  106   2HG1  ILE 256          2HG1      ILE 256  -3.272   1.654 -32.598
  107   1HG2  ILE 256          1HG2      ILE 256  -2.524   2.816 -28.665
  108   2HG2  ILE 256          2HG2      ILE 256  -3.241   3.842 -29.905
  109   3HG2  ILE 256          3HG2      ILE 256  -1.489   3.687 -29.796
  110   1HD1  ILE 256          1HD1      ILE 256  -5.130   0.774 -31.709
  111   2HD1  ILE 256          2HD1      ILE 256  -5.662   2.454 -31.641
  112   3HD1  ILE 256          3HD1      ILE 256  -4.973   1.689 -30.210
  113    H    THR 257           H        THR 257  -1.654  -0.137 -32.855
  114    HA   THR 257           HA       THR 257  -1.240  -2.355 -31.168
  115    HB   THR 257           HB       THR 257  -1.608  -3.731 -33.048
  116    HG1  THR 257           HG1      THR 257  -0.514  -1.566 -34.483
  117   1HG2  THR 257          1HG2      THR 257  -3.288  -1.599 -32.510
  118   2HG2  THR 257          2HG2      THR 257  -3.692  -3.028 -33.464
  119   3HG2  THR 257          3HG2      THR 257  -3.119  -1.564 -34.266
  120    H    GLU 258           H        GLU 258   0.880  -0.639 -33.381
  121    HA   GLU 258           HA       GLU 258   2.968  -2.572 -33.372
  122   1HB   GLU 258          1HB       GLU 258   3.087   0.393 -33.960
  123   2HB   GLU 258          2HB       GLU 258   4.351  -0.773 -34.329
  124   1HG   GLU 258          1HG       GLU 258   2.865  -1.926 -35.866
  125   2HG   GLU 258          2HG       GLU 258   1.567  -0.799 -35.473
  126    H    LYS 259           H        LYS 259   2.152   0.169 -31.339
  127    HA   LYS 259           HA       LYS 259   4.619   0.150 -29.887
  128   1HB   LYS 259          1HB       LYS 259   3.801   2.236 -29.690
  129   2HB   LYS 259          2HB       LYS 259   2.159   1.731 -30.044
  130   1HG   LYS 259          1HG       LYS 259   1.984   2.501 -27.887
  131   2HG   LYS 259          2HG       LYS 259   2.216   0.761 -27.686
  132   1HD   LYS 259          1HD       LYS 259   4.756   1.505 -27.690
  133   2HD   LYS 259          2HD       LYS 259   4.051   2.997 -27.060
  134   1HE   LYS 259          1HE       LYS 259   3.595   0.244 -25.913
  135   2HE   LYS 259          2HE       LYS 259   4.747   1.418 -25.282
  136   1HZ   LYS 259          1HZ       LYS 259   1.840   1.379 -25.089
  137   2HZ   LYS 259          2HZ       LYS 259   2.562   2.896 -25.283
  138   3HZ   LYS 259          3HZ       LYS 259   2.993   1.917 -23.972
  139    H    LEU 260           H        LEU 260   1.478  -1.301 -29.640
  140    HA   LEU 260           HA       LEU 260   1.695  -2.091 -26.904
  141   1HB   LEU 260          1HB       LEU 260  -0.208  -2.395 -29.071
  142   2HB   LEU 260          2HB       LEU 260  -0.024  -3.891 -28.175
  143    HG   LEU 260           HG       LEU 260  -0.293  -2.068 -26.152
  144   1HD1  LEU 260          1HD1      LEU 260  -1.617  -0.327 -26.674
  145   2HD1  LEU 260          2HD1      LEU 260  -2.517  -1.236 -27.887
  146   3HD1  LEU 260          3HD1      LEU 260  -0.941  -0.555 -28.287
  147   1HD2  LEU 260          1HD2      LEU 260  -2.399  -3.674 -27.590
  148   2HD2  LEU 260          2HD2      LEU 260  -2.627  -2.919 -26.013
  149   3HD2  LEU 260          3HD2      LEU 260  -1.417  -4.185 -26.217
  150    H    GLU 261           H        GLU 261   2.799  -3.346 -29.928
  151    HA   GLU 261           HA       GLU 261   3.385  -5.979 -28.889
  152   1HB   GLU 261          1HB       GLU 261   3.353  -4.648 -31.513
  153   2HB   GLU 261          2HB       GLU 261   4.608  -5.858 -31.314
  154   1HG   GLU 261          1HG       GLU 261   2.404  -7.125 -30.306
  155   2HG   GLU 261          2HG       GLU 261   1.732  -6.173 -31.628
  156    H    VAL 262           H        VAL 262   5.159  -3.039 -29.788
  157    HA   VAL 262           HA       VAL 262   7.740  -4.081 -29.596
  158    HB   VAL 262           HB       VAL 262   8.338  -1.679 -29.257
  159   1HG1  VAL 262          1HG1      VAL 262   7.134  -2.922 -31.524
  160   2HG1  VAL 262          2HG1      VAL 262   8.480  -1.784 -31.463
  161   3HG1  VAL 262          3HG1      VAL 262   6.822  -1.186 -31.530
  162   1HG2  VAL 262          1HG2      VAL 262   6.455  -0.901 -28.048
  163   2HG2  VAL 262          2HG2      VAL 262   5.394  -1.301 -29.398
  164   3HG2  VAL 262          3HG2      VAL 262   6.579  -0.007 -29.564
  165    H    LEU 263           H        LEU 263   5.504  -2.778 -27.244
  166    HA   LEU 263           HA       LEU 263   7.396  -2.622 -25.106
  167   1HB   LEU 263          1HB       LEU 263   4.748  -1.784 -25.583
  168   2HB   LEU 263          2HB       LEU 263   4.680  -2.839 -24.200
  169    HG   LEU 263           HG       LEU 263   5.848  -0.176 -24.457
  170   1HD1  LEU 263          1HD1      LEU 263   3.756  -0.591 -23.270
  171   2HD1  LEU 263          2HD1      LEU 263   5.000   0.065 -22.205
  172   3HD1  LEU 263          3HD1      LEU 263   4.613  -1.656 -22.157
  173   1HD2  LEU 263          1HD2      LEU 263   7.894  -0.909 -23.816
  174   2HD2  LEU 263          2HD2      LEU 263   7.256  -2.403 -23.129
  175   3HD2  LEU 263          3HD2      LEU 263   7.134  -0.893 -22.226
  176    H    ALA 264           H        ALA 264   4.789  -4.885 -25.973
  177    HA   ALA 264           HA       ALA 264   5.102  -6.631 -23.793
  178   1HB   ALA 264          1HB       ALA 264   4.277  -8.192 -25.964
  179   2HB   ALA 264          2HB       ALA 264   3.624  -6.581 -26.261
  180   3HB   ALA 264          3HB       ALA 264   3.257  -7.416 -24.752
  181    H    LYS 265           H        LYS 265   6.778  -6.403 -26.869
  182    HA   LYS 265           HA       LYS 265   8.100  -8.899 -26.767
  183   1HB   LYS 265          1HB       LYS 265   8.563  -6.329 -28.236
  184   2HB   LYS 265          2HB       LYS 265   9.799  -7.580 -28.272
  185   1HG   LYS 265          1HG       LYS 265   8.210  -9.156 -29.216
  186   2HG   LYS 265          2HG       LYS 265   6.935  -7.939 -29.130
  187   1HD   LYS 265          1HD       LYS 265   7.692  -7.917 -31.365
  188   2HD   LYS 265          2HD       LYS 265   8.402  -6.494 -30.602
  189   1HE   LYS 265          1HE       LYS 265  10.393  -8.148 -30.132
  190   2HE   LYS 265          2HE       LYS 265   9.700  -9.024 -31.496
  191   1HZ   LYS 265          1HZ       LYS 265  10.281  -6.134 -31.677
  192   2HZ   LYS 265          2HZ       LYS 265  10.093  -7.256 -32.929
  193   3HZ   LYS 265          3HZ       LYS 265  11.486  -7.287 -31.970
  194    H    ALA 266           H        ALA 266   9.049  -5.649 -25.720
  195    HA   ALA 266           HA       ALA 266  11.644  -6.193 -24.881
  196   1HB   ALA 266          1HB       ALA 266  11.567  -4.161 -23.699
  197   2HB   ALA 266          2HB       ALA 266   9.825  -4.275 -23.452
  198   3HB   ALA 266          3HB       ALA 266  10.467  -3.940 -25.060
  199    H    TYR 267           H        TYR 267   8.566  -6.649 -23.242
  200    HA   TYR 267           HA       TYR 267   9.543  -7.247 -20.680
  201   1HB   TYR 267          1HB       TYR 267   7.013  -7.787 -22.167
  202   2HB   TYR 267          2HB       TYR 267   7.303  -8.684 -20.682
  203    HD1  TYR 267           HD1      TYR 267   5.933  -5.751 -22.028
  204    HD2  TYR 267           HD2      TYR 267   8.042  -7.187 -18.624
  205    HE1  TYR 267           HE1      TYR 267   5.121  -3.832 -20.723
  206    HE2  TYR 267           HE2      TYR 267   7.234  -5.273 -17.309
  207    HH   TYR 267           HH       TYR 267   5.075  -3.674 -17.521
  208    H    SER 268           H        SER 268   8.969  -9.277 -23.513
  209    HA   SER 268           HA       SER 268   9.521 -11.754 -22.270
  210   1HB   SER 268          1HB       SER 268   8.533 -12.203 -24.268
  211   2HB   SER 268          2HB       SER 268   9.205 -10.765 -25.038
  212    HG   SER 268           HG       SER 268  10.777 -13.030 -24.402
  213    H    VAL 269           H        VAL 269  11.540  -9.333 -23.825
  214    HA   VAL 269           HA       VAL 269  13.914 -10.948 -23.782
  215    HB   VAL 269           HB       VAL 269  13.855  -7.944 -24.017
  216   1HG1  VAL 269          1HG1      VAL 269  15.726 -10.098 -24.984
  217   2HG1  VAL 269          2HG1      VAL 269  16.058  -8.826 -23.808
  218   3HG1  VAL 269          3HG1      VAL 269  15.819  -8.416 -25.506
  219   1HG2  VAL 269          1HG2      VAL 269  12.223  -9.262 -25.565
  220   2HG2  VAL 269          2HG2      VAL 269  13.698  -9.730 -26.410
  221   3HG2  VAL 269          3HG2      VAL 269  13.275  -8.025 -26.254
  222    H    GLN 270           H        GLN 270  12.263  -8.940 -21.546
  223    HA   GLN 270           HA       GLN 270  14.615  -8.628 -19.842
  224   1HB   GLN 270          1HB       GLN 270  11.807  -7.538 -19.658
  225   2HB   GLN 270          2HB       GLN 270  13.013  -7.305 -18.401
  226   1HG   GLN 270          1HG       GLN 270  14.171  -6.553 -20.867
  227   2HG   GLN 270          2HG       GLN 270  12.585  -5.796 -20.758
  228   1HE2  GLN 270          1HE2      GLN 270  14.745  -4.205 -20.795
  229   2HE2  GLN 270          2HE2      GLN 270  15.021  -3.508 -19.238
  230    H    GLY 271           H        GLY 271  12.639 -11.067 -20.427
  231   1HA   GLY 271          1HA       GLY 271  12.247 -13.011 -19.249
  232   2HA   GLY 271          2HA       GLY 271  13.083 -12.296 -17.879
  233    H    ASP 272           H        ASP 272  10.084 -11.603 -19.681
  234    HA   ASP 272           HA       ASP 272   8.641 -11.692 -17.118
  235   1HB   ASP 272          1HB       ASP 272   8.724  -9.527 -19.157
  236   2HB   ASP 272          2HB       ASP 272   7.168  -9.864 -18.406
  237    H    LYS 273           H        LYS 273   7.859 -13.758 -17.543
  238    HA   LYS 273           HA       LYS 273   6.523 -14.385 -20.006
  239   1HB   LYS 273          1HB       LYS 273   7.757 -16.018 -18.478
  240   2HB   LYS 273          2HB       LYS 273   6.343 -15.949 -17.437
  241   1HG   LYS 273          1HG       LYS 273   5.013 -17.072 -18.932
  242   2HG   LYS 273          2HG       LYS 273   5.983 -16.586 -20.323
  243   1HD   LYS 273          1HD       LYS 273   6.533 -18.822 -20.094
  244   2HD   LYS 273          2HD       LYS 273   7.833 -18.033 -19.209
  245   1HE   LYS 273          1HE       LYS 273   6.728 -20.052 -18.125
  246   2HE   LYS 273          2HE       LYS 273   6.910 -18.601 -17.152
  247   1HZ   LYS 273          1HZ       LYS 273   4.723 -19.524 -16.853
  248   2HZ   LYS 273          2HZ       LYS 273   4.432 -19.485 -18.520
  249   3HZ   LYS 273          3HZ       LYS 273   4.594 -18.040 -17.655
  250    H    TRP 274           H        TRP 274   5.496 -13.744 -16.670
  251    HA   TRP 274           HA       TRP 274   2.731 -14.090 -17.137
  252   1HB   TRP 274          1HB       TRP 274   4.339 -12.752 -14.986
  253   2HB   TRP 274          2HB       TRP 274   2.586 -12.592 -15.011
  254    HD1  TRP 274           HD1      TRP 274   1.384 -15.266 -15.343
  255    HE1  TRP 274           HE1      TRP 274   1.902 -17.292 -13.842
  256    HE3  TRP 274           HE3      TRP 274   5.904 -13.764 -13.479
  257    HZ2  TRP 274           HZ2      TRP 274   3.954 -18.140 -12.098
  258    HZ3  TRP 274           HZ3      TRP 274   7.077 -15.242 -11.901
  259    HH2  TRP 274           HH2      TRP 274   6.121 -17.384 -11.225
  260    H    ARG 275           H        ARG 275   4.797 -11.206 -17.082
  261    HA   ARG 275           HA       ARG 275   2.732  -9.341 -17.533
  262   1HB   ARG 275          1HB       ARG 275   5.448  -9.212 -17.020
  263   2HB   ARG 275          2HB       ARG 275   5.312  -8.564 -18.649
  264   1HG   ARG 275          1HG       ARG 275   4.836  -6.621 -17.684
  265   2HG   ARG 275          2HG       ARG 275   3.260  -7.318 -17.305
  266   1HD   ARG 275          1HD       ARG 275   5.614  -7.726 -15.496
  267   2HD   ARG 275          2HD       ARG 275   4.635  -6.263 -15.398
  268    HE   ARG 275           HE       ARG 275   3.812  -8.972 -14.696
  269   1HH1  ARG 275          1HH1      ARG 275   2.973  -5.611 -15.083
  270   2HH1  ARG 275          2HH1      ARG 275   1.531  -5.730 -14.132
  271   1HH2  ARG 275          1HH2      ARG 275   1.912  -9.135 -13.446
  272   2HH2  ARG 275          2HH2      ARG 275   0.928  -7.731 -13.202
  273    H    ALA 276           H        ALA 276   4.985 -10.940 -19.775
  274    HA   ALA 276           HA       ALA 276   4.137  -9.669 -22.118
  275   1HB   ALA 276          1HB       ALA 276   4.983 -11.816 -23.235
  276   2HB   ALA 276          2HB       ALA 276   5.414 -12.335 -21.605
  277   3HB   ALA 276          3HB       ALA 276   6.132 -10.874 -22.285
  278    H    LEU 277           H        LEU 277   2.691 -12.202 -20.247
  279    HA   LEU 277           HA       LEU 277   0.953 -13.184 -22.286
  280   1HB   LEU 277          1HB       LEU 277   0.884 -14.800 -20.748
  281   2HB   LEU 277          2HB       LEU 277   1.515 -13.739 -19.505
  282    HG   LEU 277           HG       LEU 277  -0.979 -12.855 -19.459
  283   1HD1  LEU 277          1HD1      LEU 277  -1.174 -15.592 -20.681
  284   2HD1  LEU 277          2HD1      LEU 277  -1.930 -14.091 -21.217
  285   3HD1  LEU 277          3HD1      LEU 277  -2.486 -14.880 -19.740
  286   1HD2  LEU 277          1HD2      LEU 277  -1.263 -14.060 -17.519
  287   2HD2  LEU 277          2HD2      LEU 277   0.485 -14.158 -17.735
  288   3HD2  LEU 277          3HD2      LEU 277  -0.538 -15.520 -18.193
  289    H    GLY 278           H        GLY 278   0.698 -10.762 -19.735
  290   1HA   GLY 278          1HA       GLY 278  -2.081 -10.245 -20.103
  291   2HA   GLY 278          2HA       GLY 278  -0.938  -9.216 -19.252
  292    H    TYR 279           H        TYR 279   0.852  -8.570 -21.215
  293    HA   TYR 279           HA       TYR 279  -0.479  -6.503 -22.583
  294   1HB   TYR 279          1HB       TYR 279   2.260  -7.530 -22.393
  295   2HB   TYR 279          2HB       TYR 279   1.885  -6.820 -23.960
  296    HD1  TYR 279           HD1      TYR 279   1.990  -6.141 -20.323
  297    HD2  TYR 279           HD2      TYR 279   1.702  -4.472 -24.227
  298    HE1  TYR 279           HE1      TYR 279   2.337  -3.896 -19.383
  299    HE2  TYR 279           HE2      TYR 279   2.050  -2.223 -23.295
  300    HH   TYR 279           HH       TYR 279   2.327  -1.703 -19.803
  301    H    ALA 280           H        ALA 280   0.986  -9.508 -23.828
  302    HA   ALA 280           HA       ALA 280   0.266  -9.235 -26.493
  303   1HB   ALA 280          1HB       ALA 280   1.659 -11.073 -25.179
  304   2HB   ALA 280          2HB       ALA 280   0.955 -11.387 -26.766
  305   3HB   ALA 280          3HB       ALA 280   0.137 -11.953 -25.310
  306    H    LYS 281           H        LYS 281  -1.635 -10.294 -23.745
  307    HA   LYS 281           HA       LYS 281  -3.787 -11.472 -25.074
  308   1HB   LYS 281          1HB       LYS 281  -3.231 -10.465 -22.412
  309   2HB   LYS 281          2HB       LYS 281  -4.894 -10.140 -22.881
  310   1HG   LYS 281          1HG       LYS 281  -3.666 -12.863 -23.163
  311   2HG   LYS 281          2HG       LYS 281  -4.425 -12.321 -21.664
  312   1HD   LYS 281          1HD       LYS 281  -6.082 -11.798 -23.992
  313   2HD   LYS 281          2HD       LYS 281  -5.698 -13.512 -23.814
  314   1HE   LYS 281          1HE       LYS 281  -6.788 -13.686 -21.802
  315   2HE   LYS 281          2HE       LYS 281  -6.570 -11.980 -21.413
  316   1HZ   LYS 281          1HZ       LYS 281  -8.408 -13.011 -23.504
  317   2HZ   LYS 281          2HZ       LYS 281  -8.253 -11.403 -23.004
  318   3HZ   LYS 281          3HZ       LYS 281  -8.883 -12.560 -21.944
  319    H    ALA 282           H        ALA 282  -3.306  -8.090 -24.088
  320    HA   ALA 282           HA       ALA 282  -5.728  -7.093 -25.103
  321   1HB   ALA 282          1HB       ALA 282  -4.732  -5.577 -23.709
  322   2HB   ALA 282          2HB       ALA 282  -4.244  -4.915 -25.268
  323   3HB   ALA 282          3HB       ALA 282  -3.115  -5.896 -24.335
  324    H    ILE 283           H        ILE 283  -2.587  -7.638 -26.580
  325    HA   ILE 283           HA       ILE 283  -3.097  -6.301 -29.022
  326    HB   ILE 283           HB       ILE 283  -1.250  -8.660 -28.681
  327   1HG1  ILE 283          1HG1      ILE 283  -0.558  -5.759 -28.188
  328   2HG1  ILE 283          2HG1      ILE 283  -0.942  -6.894 -26.899
  329   1HG2  ILE 283          1HG2      ILE 283  -1.095  -6.259 -30.498
  330   2HG2  ILE 283          2HG2      ILE 283  -1.663  -7.860 -30.974
  331   3HG2  ILE 283          3HG2      ILE 283   0.012  -7.632 -30.470
  332   1HD1  ILE 283          1HD1      ILE 283   1.463  -6.726 -28.628
  333   2HD1  ILE 283          2HD1      ILE 283   0.962  -8.307 -28.029
  334   3HD1  ILE 283          3HD1      ILE 283   1.331  -7.010 -26.893
  335    H    ASN 284           H        ASN 284  -3.822  -9.498 -27.822
  336    HA   ASN 284           HA       ASN 284  -4.410 -10.768 -30.262
  337   1HB   ASN 284          1HB       ASN 284  -4.533 -11.417 -27.517
  338   2HB   ASN 284          2HB       ASN 284  -6.143 -11.706 -28.167
  339   1HD2  ASN 284          1HD2      ASN 284  -5.532 -12.498 -30.730
  340   2HD2  ASN 284          2HD2      ASN 284  -4.686 -14.004 -30.676
  341    H    ALA 285           H        ALA 285  -6.336  -8.778 -28.089
  342    HA   ALA 285           HA       ALA 285  -8.825  -9.162 -29.389
  343   1HB   ALA 285          1HB       ALA 285  -7.777  -7.533 -27.233
  344   2HB   ALA 285          2HB       ALA 285  -9.400  -8.182 -27.470
  345   3HB   ALA 285          3HB       ALA 285  -8.944  -6.652 -28.219
  346    H    LEU 286           H        LEU 286  -6.283  -6.720 -29.690
  347    HA   LEU 286           HA       LEU 286  -7.655  -5.176 -31.661
  348   1HB   LEU 286          1HB       LEU 286  -4.675  -5.182 -31.317
  349   2HB   LEU 286          2HB       LEU 286  -5.725  -3.854 -31.773
  350    HG   LEU 286           HG       LEU 286  -5.748  -5.079 -29.019
  351   1HD1  LEU 286          1HD1      LEU 286  -4.349  -2.531 -29.768
  352   2HD1  LEU 286          2HD1      LEU 286  -3.515  -4.084 -29.735
  353   3HD1  LEU 286          3HD1      LEU 286  -4.247  -3.445 -28.263
  354   1HD2  LEU 286          1HD2      LEU 286  -6.653  -2.355 -29.921
  355   2HD2  LEU 286          2HD2      LEU 286  -6.962  -3.150 -28.377
  356   3HD2  LEU 286          3HD2      LEU 286  -7.727  -3.753 -29.848
  357    H    LYS 287           H        LYS 287  -5.858  -8.069 -31.702
  358    HA   LYS 287           HA       LYS 287  -4.901  -7.937 -34.391
  359   1HB   LYS 287          1HB       LYS 287  -4.571  -9.642 -32.175
  360   2HB   LYS 287          2HB       LYS 287  -5.259 -10.635 -33.452
  361   1HG   LYS 287          1HG       LYS 287  -3.215 -10.849 -34.276
  362   2HG   LYS 287          2HG       LYS 287  -3.268  -9.137 -34.700
  363   1HD   LYS 287          1HD       LYS 287  -2.178  -8.504 -32.708
  364   2HD   LYS 287          2HD       LYS 287  -2.443 -10.085 -31.969
  365   1HE   LYS 287          1HE       LYS 287  -0.814  -9.812 -34.468
  366   2HE   LYS 287          2HE       LYS 287  -0.096  -9.505 -32.887
  367   1HZ   LYS 287          1HZ       LYS 287  -0.765 -11.996 -34.129
  368   2HZ   LYS 287          2HZ       LYS 287  -1.399 -11.872 -32.565
  369   3HZ   LYS 287          3HZ       LYS 287   0.262 -11.685 -32.822
  370    H    SER 288           H        SER 288  -7.922  -7.743 -33.544
  371    HA   SER 288           HA       SER 288  -8.888  -9.063 -35.931
  372   1HB   SER 288          1HB       SER 288  -9.947  -9.817 -33.194
  373   2HB   SER 288          2HB       SER 288 -10.700 -10.268 -34.724
  374    HG   SER 288           HG       SER 288  -9.439 -11.953 -34.475
  375    H    PHE 289           H        PHE 289  -8.590  -6.384 -34.602
  376    HA   PHE 289           HA       PHE 289 -11.106  -5.354 -33.915
  377   1HB   PHE 289          1HB       PHE 289  -9.970  -3.430 -33.601
  378   2HB   PHE 289          2HB       PHE 289  -8.545  -4.412 -33.890
  379    HD1  PHE 289           HD1      PHE 289 -10.442  -1.600 -34.964
  380    HD2  PHE 289           HD2      PHE 289  -7.664  -4.540 -36.285
  381    HE1  PHE 289           HE1      PHE 289  -9.840  -0.168 -36.872
  382    HE2  PHE 289           HE2      PHE 289  -7.056  -3.115 -38.194
  383    HZ   PHE 289           HZ       PHE 289  -8.144  -0.925 -38.490
  384    H    HIS 290           H        HIS 290 -12.599  -4.124 -35.097
  385    HA   HIS 290           HA       HIS 290 -12.565  -4.672 -37.985
  386   1HB   HIS 290          1HB       HIS 290 -14.532  -5.173 -36.081
  387   2HB   HIS 290          2HB       HIS 290 -15.107  -3.739 -36.925
  388    HD1  HIS 290           HD1      HIS 290 -15.590  -3.996 -39.490
  389    HD2  HIS 290           HD2      HIS 290 -14.641  -7.533 -37.526
  390    HE1  HIS 290           HE1      HIS 290 -16.267  -5.839 -41.061
  391    HE2  HIS 290           HE2      HIS 290 -15.645  -7.970 -39.869
  392    H    LYS 291           H        LYS 291 -14.041  -2.215 -35.860
  393    HA   LYS 291           HA       LYS 291 -13.536  -0.205 -37.921
  394   1HB   LYS 291          1HB       LYS 291 -15.241  -0.187 -35.431
  395   2HB   LYS 291          2HB       LYS 291 -14.983   1.239 -36.426
  396   1HG   LYS 291          1HG       LYS 291 -15.924  -1.208 -37.798
  397   2HG   LYS 291          2HG       LYS 291 -17.068  -0.380 -36.739
  398   1HD   LYS 291          1HD       LYS 291 -17.501   0.905 -38.527
  399   2HD   LYS 291          2HD       LYS 291 -15.972   1.699 -38.142
  400   1HE   LYS 291          1HE       LYS 291 -15.992   1.113 -40.478
  401   2HE   LYS 291          2HE       LYS 291 -14.815   0.105 -39.637
  402   1HZ   LYS 291          1HZ       LYS 291 -15.857  -1.543 -40.714
  403   2HZ   LYS 291          2HZ       LYS 291 -17.266  -0.645 -40.978
  404   3HZ   LYS 291          3HZ       LYS 291 -17.017  -1.406 -39.489
  405    HA   PRO 292           HA       PRO 292  -9.901   1.479 -36.031
  406   1HB   PRO 292          1HB       PRO 292 -11.193   4.078 -36.744
  407   2HB   PRO 292          2HB       PRO 292  -9.547   3.515 -37.063
  408   1HG   PRO 292          1HG       PRO 292 -11.368   3.538 -39.001
  409   2HG   PRO 292          2HG       PRO 292 -10.201   2.209 -38.865
  410   1HD   PRO 292          1HD       PRO 292 -13.101   2.263 -38.183
  411   2HD   PRO 292          2HD       PRO 292 -12.107   0.929 -38.803
  412    H    VAL 293           H        VAL 293  -9.260   2.646 -34.175
  413    HA   VAL 293           HA       VAL 293 -11.307   2.816 -32.148
  414    HB   VAL 293           HB       VAL 293  -9.042   1.865 -31.697
  415   1HG1  VAL 293          1HG1      VAL 293  -7.326   3.736 -31.104
  416   2HG1  VAL 293          2HG1      VAL 293  -8.248   4.685 -32.271
  417   3HG1  VAL 293          3HG1      VAL 293  -7.482   3.176 -32.769
  418   1HG2  VAL 293          1HG2      VAL 293  -9.222   2.388 -29.512
  419   2HG2  VAL 293          2HG2      VAL 293 -10.697   3.198 -30.039
  420   3HG2  VAL 293          3HG2      VAL 293  -9.213   4.125 -29.816
  421    H    THR 294           H        THR 294 -11.889   4.640 -30.972
  422    HA   THR 294           HA       THR 294 -10.993   7.237 -32.021
  423    HB   THR 294           HB       THR 294 -13.320   8.092 -31.817
  424    HG1  THR 294           HG1      THR 294 -14.941   6.765 -31.285
  425   1HG2  THR 294          1HG2      THR 294 -12.563   5.958 -33.760
  426   2HG2  THR 294          2HG2      THR 294 -12.830   7.681 -34.027
  427   3HG2  THR 294          3HG2      THR 294 -14.205   6.601 -33.799
  428    H    SER 295           H        SER 295 -12.665   5.505 -29.424
  429    HA   SER 295           HA       SER 295 -11.526   7.427 -27.512
  430   1HB   SER 295          1HB       SER 295 -14.337   6.800 -27.976
  431   2HB   SER 295          2HB       SER 295 -13.859   6.527 -26.300
  432    HG   SER 295           HG       SER 295 -12.947   8.692 -26.386
  433    H    TYR 296           H        TYR 296 -11.538   6.517 -25.244
  434    HA   TYR 296           HA       TYR 296 -10.132   4.079 -25.203
  435   1HB   TYR 296          1HB       TYR 296 -10.045   4.340 -22.827
  436   2HB   TYR 296          2HB       TYR 296  -9.939   5.952 -23.526
  437    HD1  TYR 296           HD1      TYR 296 -11.229   4.312 -20.859
  438    HD2  TYR 296           HD2      TYR 296 -12.544   6.876 -23.989
  439    HE1  TYR 296           HE1      TYR 296 -13.130   5.023 -19.471
  440    HE2  TYR 296           HE2      TYR 296 -14.448   7.593 -22.614
  441    HH   TYR 296           HH       TYR 296 -15.200   6.051 -19.568
  442    H    GLN 297           H        GLN 297 -13.511   4.859 -24.667
  443    HA   GLN 297           HA       GLN 297 -14.219   2.315 -23.580
  444   1HB   GLN 297          1HB       GLN 297 -16.582   3.151 -24.240
  445   2HB   GLN 297          2HB       GLN 297 -15.706   3.997 -22.974
  446   1HG   GLN 297          1HG       GLN 297 -15.285   5.833 -24.311
  447   2HG   GLN 297          2HG       GLN 297 -15.516   4.925 -25.805
  448   1HE2  GLN 297          1HE2      GLN 297 -17.023   6.267 -26.691
  449   2HE2  GLN 297          2HE2      GLN 297 -18.614   6.473 -26.049
  450    H    GLU 298           H        GLU 298 -14.283   3.765 -26.792
  451    HA   GLU 298           HA       GLU 298 -15.737   1.767 -28.111
  452   1HB   GLU 298          1HB       GLU 298 -13.509   3.250 -29.443
  453   2HB   GLU 298          2HB       GLU 298 -15.056   2.757 -30.110
  454   1HG   GLU 298          1HG       GLU 298 -15.086   4.698 -27.873
  455   2HG   GLU 298          2HG       GLU 298 -14.523   5.265 -29.445
  456    H    ALA 299           H        ALA 299 -12.351   2.001 -27.245
  457    HA   ALA 299           HA       ALA 299 -11.583  -0.319 -28.772
  458   1HB   ALA 299          1HB       ALA 299  -9.456   0.274 -28.322
  459   2HB   ALA 299          2HB       ALA 299  -9.797   0.609 -26.625
  460   3HB   ALA 299          3HB       ALA 299 -10.195   1.806 -27.857
  461    H    CYS 300           H        CYS 300 -12.302   0.430 -25.400
  462    HA   CYS 300           HA       CYS 300 -11.503  -2.024 -24.284
  463   1HB   CYS 300          1HB       CYS 300 -12.197   0.225 -23.147
  464   2HB   CYS 300          2HB       CYS 300 -13.817  -0.463 -23.184
  465    HG   CYS 300           HG       CYS 300 -13.564  -1.986 -21.128
  466    H    SER 301           H        SER 301 -14.159  -1.218 -26.268
  467    HA   SER 301           HA       SER 301 -16.046  -3.125 -25.380
  468   1HB   SER 301          1HB       SER 301 -15.704  -1.371 -27.721
  469   2HB   SER 301          2HB       SER 301 -16.606  -2.852 -28.045
  470    HG   SER 301           HG       SER 301 -17.270  -0.671 -26.464
  471    H    ILE 302           H        ILE 302 -13.221  -3.341 -27.386
  472    HA   ILE 302           HA       ILE 302 -13.839  -5.801 -28.664
  473    HB   ILE 302           HB       ILE 302 -11.049  -4.836 -28.081
  474   1HG1  ILE 302          1HG1      ILE 302 -12.597  -4.016 -30.523
  475   2HG1  ILE 302          2HG1      ILE 302 -12.678  -3.057 -29.049
  476   1HG2  ILE 302          1HG2      ILE 302 -10.970  -6.942 -29.078
  477   2HG2  ILE 302          2HG2      ILE 302 -10.752  -5.829 -30.428
  478   3HG2  ILE 302          3HG2      ILE 302 -12.320  -6.587 -30.154
  479   1HD1  ILE 302          1HD1      ILE 302  -9.964  -3.731 -29.916
  480   2HD1  ILE 302          2HD1      ILE 302 -10.635  -2.199 -29.356
  481   3HD1  ILE 302          3HD1      ILE 302 -10.868  -2.706 -31.030
  482    HA   PRO 303           HA       PRO 303 -13.525  -8.423 -25.028
  483   1HB   PRO 303          1HB       PRO 303 -13.188 -10.459 -27.181
  484   2HB   PRO 303          2HB       PRO 303 -14.269 -10.467 -25.783
  485   1HG   PRO 303          1HG       PRO 303 -15.212  -9.950 -28.214
  486   2HG   PRO 303          2HG       PRO 303 -15.810  -9.060 -26.801
  487   1HD   PRO 303          1HD       PRO 303 -13.917  -8.180 -28.934
  488   2HD   PRO 303          2HD       PRO 303 -15.156  -7.249 -28.069
  489    H    GLY 304           H        GLY 304 -11.613  -8.223 -24.006
  490   1HA   GLY 304          1HA       GLY 304  -9.567  -9.665 -23.710
  491   2HA   GLY 304          2HA       GLY 304  -9.208  -9.252 -25.379
  492    H    ILE 305           H        ILE 305 -10.615  -6.654 -23.742
  493    HA   ILE 305           HA       ILE 305  -7.998  -5.572 -22.955
  494    HB   ILE 305           HB       ILE 305  -9.964  -3.712 -24.199
  495   1HG1  ILE 305          1HG1      ILE 305  -8.061  -5.439 -25.800
  496   2HG1  ILE 305          2HG1      ILE 305  -9.816  -5.581 -25.807
  497   1HG2  ILE 305          1HG2      ILE 305  -7.102  -3.537 -24.806
  498   2HG2  ILE 305          2HG2      ILE 305  -7.501  -3.409 -23.092
  499   3HG2  ILE 305          3HG2      ILE 305  -8.226  -2.295 -24.252
  500   1HD1  ILE 305          1HD1      ILE 305 -10.018  -3.967 -27.311
  501   2HD1  ILE 305          2HD1      ILE 305  -8.269  -4.066 -27.519
  502   3HD1  ILE 305          3HD1      ILE 305  -8.959  -2.888 -26.402
  503    H    GLY 306           H        GLY 306  -7.985  -4.485 -21.074
  504   1HA   GLY 306          1HA       GLY 306 -10.527  -4.293 -19.631
  505   2HA   GLY 306          2HA       GLY 306  -8.926  -4.240 -18.913
  506    H    LYS 307           H        LYS 307  -9.831  -2.399 -17.738
  507    HA   LYS 307           HA       LYS 307 -10.412   0.021 -19.178
  508   1HB   LYS 307          1HB       LYS 307 -10.635  -0.930 -16.457
  509   2HB   LYS 307          2HB       LYS 307  -9.903   0.668 -16.497
  510   1HG   LYS 307          1HG       LYS 307 -11.913   1.143 -18.153
  511   2HG   LYS 307          2HG       LYS 307 -12.638  -0.187 -17.246
  512   1HD   LYS 307          1HD       LYS 307 -13.288   1.520 -15.895
  513   2HD   LYS 307          2HD       LYS 307 -11.688   1.244 -15.200
  514   1HE   LYS 307          1HE       LYS 307 -11.414   3.448 -15.549
  515   2HE   LYS 307          2HE       LYS 307 -11.089   2.959 -17.211
  516   1HZ   LYS 307          1HZ       LYS 307 -13.637   3.190 -17.460
  517   2HZ   LYS 307          2HZ       LYS 307 -12.676   4.581 -17.474
  518   3HZ   LYS 307          3HZ       LYS 307 -13.524   4.154 -16.075
  519    H    ARG 308           H        ARG 308  -7.712  -1.242 -17.276
  520    HA   ARG 308           HA       ARG 308  -6.122   1.066 -17.270
  521   1HB   ARG 308          1HB       ARG 308  -5.838  -1.184 -15.997
  522   2HB   ARG 308          2HB       ARG 308  -4.939  -1.691 -17.421
  523   1HG   ARG 308          1HG       ARG 308  -3.940   0.839 -16.688
  524   2HG   ARG 308          2HG       ARG 308  -4.067  -0.118 -15.211
  525   1HD   ARG 308          1HD       ARG 308  -2.975  -1.974 -16.734
  526   2HD   ARG 308          2HD       ARG 308  -2.405  -0.571 -17.638
  527    HE   ARG 308           HE       ARG 308  -1.657   0.106 -15.194
  528   1HH1  ARG 308          1HH1      ARG 308  -1.401  -2.964 -16.825
  529   2HH1  ARG 308          2HH1      ARG 308   0.027  -3.444 -15.970
  530   1HH2  ARG 308          1HH2      ARG 308   0.223  -0.518 -14.066
  531   2HH2  ARG 308          2HH2      ARG 308   0.949  -2.054 -14.402
  532    H    MET 309           H        MET 309  -6.496  -1.508 -19.639
  533    HA   MET 309           HA       MET 309  -4.362  -0.581 -21.321
  534   1HB   MET 309          1HB       MET 309  -6.298  -2.781 -21.317
  535   2HB   MET 309          2HB       MET 309  -5.965  -2.147 -22.923
  536   1HG   MET 309          1HG       MET 309  -4.002  -3.274 -20.956
  537   2HG   MET 309          2HG       MET 309  -4.474  -3.949 -22.512
  538   1HE   MET 309          1HE       MET 309  -0.827  -2.069 -21.684
  539   2HE   MET 309          2HE       MET 309  -1.052  -3.564 -22.592
  540   3HE   MET 309          3HE       MET 309  -1.850  -3.351 -21.034
  541    H    ALA 310           H        ALA 310  -7.838  -0.162 -21.146
  542    HA   ALA 310           HA       ALA 310  -8.392   0.953 -23.616
  543   1HB   ALA 310          1HB       ALA 310  -9.928   2.420 -21.803
  544   2HB   ALA 310          2HB       ALA 310  -9.658   0.859 -21.030
  545   3HB   ALA 310          3HB       ALA 310 -10.388   0.933 -22.634
  546    H    GLU 311           H        GLU 311  -7.665   2.794 -20.635
  547    HA   GLU 311           HA       GLU 311  -7.373   5.276 -21.943
  548   1HB   GLU 311          1HB       GLU 311  -6.251   4.332 -19.296
  549   2HB   GLU 311          2HB       GLU 311  -6.252   6.003 -19.842
  550   1HG   GLU 311          1HG       GLU 311  -8.869   5.389 -20.114
  551   2HG   GLU 311          2HG       GLU 311  -8.428   4.369 -18.745
  552    H    LYS 312           H        LYS 312  -5.177   2.636 -21.340
  553    HA   LYS 312           HA       LYS 312  -2.729   3.925 -21.748
  554   1HB   LYS 312          1HB       LYS 312  -2.991   1.605 -20.902
  555   2HB   LYS 312          2HB       LYS 312  -3.466   1.094 -22.514
  556   1HG   LYS 312          1HG       LYS 312  -1.226   0.507 -22.385
  557   2HG   LYS 312          2HG       LYS 312  -1.203   2.034 -23.269
  558   1HD   LYS 312          1HD       LYS 312   0.507   2.276 -21.701
  559   2HD   LYS 312          2HD       LYS 312  -0.855   3.124 -20.965
  560   1HE   LYS 312          1HE       LYS 312   0.407   1.640 -19.402
  561   2HE   LYS 312          2HE       LYS 312  -1.314   1.277 -19.521
  562   1HZ   LYS 312          1HZ       LYS 312   0.819  -0.174 -20.989
  563   2HZ   LYS 312          2HZ       LYS 312  -0.827  -0.558 -20.968
  564   3HZ   LYS 312          3HZ       LYS 312   0.096  -0.717 -19.560
  565    H    ILE 313           H        ILE 313  -5.006   2.486 -24.029
  566    HA   ILE 313           HA       ILE 313  -3.445   2.787 -26.354
  567    HB   ILE 313           HB       ILE 313  -6.453   2.743 -26.057
  568   1HG1  ILE 313          1HG1      ILE 313  -4.860   0.465 -27.131
  569   2HG1  ILE 313          2HG1      ILE 313  -4.817   0.746 -25.395
  570   1HG2  ILE 313          1HG2      ILE 313  -6.418   2.053 -28.461
  571   2HG2  ILE 313          2HG2      ILE 313  -4.715   2.513 -28.505
  572   3HG2  ILE 313          3HG2      ILE 313  -5.948   3.728 -28.169
  573   1HD1  ILE 313          1HD1      ILE 313  -6.561  -0.878 -26.362
  574   2HD1  ILE 313          2HD1      ILE 313  -7.426   0.584 -26.839
  575   3HD1  ILE 313          3HD1      ILE 313  -7.068   0.286 -25.138
  576    H    ILE 314           H        ILE 314  -5.834   4.900 -24.813
  577    HA   ILE 314           HA       ILE 314  -5.820   6.922 -26.777
  578    HB   ILE 314           HB       ILE 314  -6.419   7.143 -23.823
  579   1HG1  ILE 314          1HG1      ILE 314  -7.854   5.528 -24.997
  580   2HG1  ILE 314          2HG1      ILE 314  -8.765   6.948 -24.495
  581   1HG2  ILE 314          1HG2      ILE 314  -7.799   9.020 -25.525
  582   2HG2  ILE 314          2HG2      ILE 314  -6.051   9.196 -25.667
  583   3HG2  ILE 314          3HG2      ILE 314  -6.822   9.312 -24.086
  584   1HD1  ILE 314          1HD1      ILE 314  -7.990   7.625 -27.024
  585   2HD1  ILE 314          2HD1      ILE 314  -9.551   6.938 -26.578
  586   3HD1  ILE 314          3HD1      ILE 314  -8.259   5.887 -27.160
  587    H    GLU 315           H        GLU 315  -3.721   6.197 -24.093
  588    HA   GLU 315           HA       GLU 315  -2.399   8.680 -23.899
  589   1HB   GLU 315          1HB       GLU 315  -2.356   6.825 -22.210
  590   2HB   GLU 315          2HB       GLU 315  -1.242   6.004 -23.279
  591   1HG   GLU 315          1HG       GLU 315   0.060   8.296 -23.095
  592   2HG   GLU 315          2HG       GLU 315  -0.815   8.365 -21.567
  593    H    ILE 316           H        ILE 316  -1.746   5.760 -25.752
  594    HA   ILE 316           HA       ILE 316   0.711   6.657 -26.863
  595    HB   ILE 316           HB       ILE 316  -1.161   4.574 -27.992
  596   1HG1  ILE 316          1HG1      ILE 316   1.198   3.894 -26.289
  597   2HG1  ILE 316          2HG1      ILE 316  -0.284   4.421 -25.498
  598   1HG2  ILE 316          1HG2      ILE 316   1.147   3.642 -28.723
  599   2HG2  ILE 316          2HG2      ILE 316   1.697   5.301 -28.481
  600   3HG2  ILE 316          3HG2      ILE 316   0.412   4.956 -29.641
  601   1HD1  ILE 316          1HD1      ILE 316   0.205   1.980 -27.149
  602   2HD1  ILE 316          2HD1      ILE 316  -1.428   2.611 -26.925
  603   3HD1  ILE 316          3HD1      ILE 316  -0.472   2.116 -25.526
  604    H    LEU 317           H        LEU 317  -2.625   7.143 -27.677
  605    HA   LEU 317           HA       LEU 317  -2.094   8.011 -30.374
  606   1HB   LEU 317          1HB       LEU 317  -4.517   7.890 -28.634
  607   2HB   LEU 317          2HB       LEU 317  -4.551   8.823 -30.116
  608    HG   LEU 317           HG       LEU 317  -3.828   5.898 -30.025
  609   1HD1  LEU 317          1HD1      LEU 317  -6.342   7.014 -29.519
  610   2HD1  LEU 317          2HD1      LEU 317  -5.970   5.333 -29.900
  611   3HD1  LEU 317          3HD1      LEU 317  -6.394   6.458 -31.191
  612   1HD2  LEU 317          1HD2      LEU 317  -3.714   7.906 -32.040
  613   2HD2  LEU 317          2HD2      LEU 317  -4.961   6.738 -32.478
  614   3HD2  LEU 317          3HD2      LEU 317  -3.313   6.193 -32.163
  615    H    GLU 318           H        GLU 318  -2.146   9.397 -27.241
  616    HA   GLU 318           HA       GLU 318  -2.736  12.075 -27.965
  617   1HB   GLU 318          1HB       GLU 318  -1.504  10.765 -25.567
  618   2HB   GLU 318          2HB       GLU 318  -1.461  12.517 -25.725
  619   1HG   GLU 318          1HG       GLU 318  -4.106  11.630 -26.269
  620   2HG   GLU 318          2HG       GLU 318  -3.558  10.884 -24.768
  621    H    SER 319           H        SER 319   0.325  11.383 -26.403
  622    HA   SER 319           HA       SER 319   2.420  12.175 -26.785
  623   1HB   SER 319          1HB       SER 319   2.213  10.298 -28.448
  624   2HB   SER 319          2HB       SER 319   1.829  11.506 -29.673
  625    HG   SER 319           HG       SER 319   3.861  12.438 -29.310
  626    H    GLY 320           H        GLY 320   1.675  13.106 -30.052
  627   1HA   GLY 320          1HA       GLY 320   1.296  15.181 -31.012
  628   2HA   GLY 320          2HA       GLY 320   1.093  15.855 -29.402
  629    H    HIS 321           H        HIS 321   3.806  14.414 -28.855
  630    HA   HIS 321           HA       HIS 321   5.481  16.555 -29.995
  631   1HB   HIS 321          1HB       HIS 321   5.654  15.220 -27.289
  632   2HB   HIS 321          2HB       HIS 321   6.895  16.287 -27.936
  633    HD1  HIS 321           HD1      HIS 321   3.470  16.297 -26.460
  634    HD2  HIS 321           HD2      HIS 321   6.226  19.018 -27.968
  635    HE1  HIS 321           HE1      HIS 321   2.624  18.563 -25.771
  636    HE2  HIS 321           HE2      HIS 321   4.298  20.196 -26.710
  637    H    LEU 322           H        LEU 322   7.687  16.017 -30.462
  638    HA   LEU 322           HA       LEU 322   7.951  13.296 -31.434
  639   1HB   LEU 322          1HB       LEU 322   9.860  15.620 -31.691
  640   2HB   LEU 322          2HB       LEU 322   9.953  14.102 -32.564
  641    HG   LEU 322           HG       LEU 322   7.474  15.730 -32.857
  642   1HD1  LEU 322          1HD1      LEU 322  10.121  16.387 -34.134
  643   2HD1  LEU 322          2HD1      LEU 322   9.132  17.433 -33.115
  644   3HD1  LEU 322          3HD1      LEU 322   8.563  16.972 -34.720
  645   1HD2  LEU 322          1HD2      LEU 322   8.398  13.394 -33.948
  646   2HD2  LEU 322          2HD2      LEU 322   8.801  14.581 -35.190
  647   3HD2  LEU 322          3HD2      LEU 322   7.135  14.416 -34.635
  648    H    ARG 323           H        ARG 323   7.944  12.648 -29.035
  649    HA   ARG 323           HA       ARG 323  10.717  12.653 -28.035
  650   1HB   ARG 323          1HB       ARG 323   8.704  11.927 -26.058
  651   2HB   ARG 323          2HB       ARG 323  10.006  13.104 -25.954
  652   1HG   ARG 323          1HG       ARG 323   8.491  14.603 -27.387
  653   2HG   ARG 323          2HG       ARG 323   7.205  13.482 -26.938
  654   1HD   ARG 323          1HD       ARG 323   8.970  14.962 -24.992
  655   2HD   ARG 323          2HD       ARG 323   7.342  15.454 -25.450
  656    HE   ARG 323           HE       ARG 323   8.068  13.139 -23.814
  657   1HH1  ARG 323          1HH1      ARG 323   5.610  15.130 -25.278
  658   2HH1  ARG 323          2HH1      ARG 323   4.329  14.486 -24.307
  659   1HH2  ARG 323          1HH2      ARG 323   6.388  12.284 -22.534
  660   2HH2  ARG 323          2HH2      ARG 323   4.771  12.866 -22.748
  661    H    LYS 324           H        LYS 324  10.791  10.690 -26.289
  662    HA   LYS 324           HA       LYS 324  10.034   8.300 -27.836
  663   1HB   LYS 324          1HB       LYS 324  11.925   7.248 -26.401
  664   2HB   LYS 324          2HB       LYS 324  12.358   8.269 -27.765
  665   1HG   LYS 324          1HG       LYS 324  12.467  10.172 -26.047
  666   2HG   LYS 324          2HG       LYS 324  12.492   8.887 -24.838
  667   1HD   LYS 324          1HD       LYS 324  14.508   7.987 -25.721
  668   2HD   LYS 324          2HD       LYS 324  14.409   9.010 -27.156
  669   1HE   LYS 324          1HE       LYS 324  14.366  10.576 -24.725
  670   2HE   LYS 324          2HE       LYS 324  15.798   9.551 -24.807
  671   1HZ   LYS 324          1HZ       LYS 324  16.381  10.496 -26.901
  672   2HZ   LYS 324          2HZ       LYS 324  16.079  11.773 -25.833
  673   3HZ   LYS 324          3HZ       LYS 324  14.925  11.354 -26.997
  674    H    LEU 325           H        LEU 325   9.298   6.446 -26.715
  675    HA   LEU 325           HA       LEU 325   7.880   7.100 -24.248
  676   1HB   LEU 325          1HB       LEU 325   7.545   5.138 -26.429
  677   2HB   LEU 325          2HB       LEU 325   7.097   4.576 -24.830
  678    HG   LEU 325           HG       LEU 325   6.018   7.210 -25.666
  679   1HD1  LEU 325          1HD1      LEU 325   5.802   5.800 -27.692
  680   2HD1  LEU 325          2HD1      LEU 325   4.252   6.250 -26.980
  681   3HD1  LEU 325          3HD1      LEU 325   4.897   4.627 -26.737
  682   1HD2  LEU 325          1HD2      LEU 325   4.152   5.292 -24.629
  683   2HD2  LEU 325          2HD2      LEU 325   4.683   6.824 -23.936
  684   3HD2  LEU 325          3HD2      LEU 325   5.594   5.348 -23.616
  685    H    ASP 326           H        ASP 326   8.997   6.781 -22.436
  686    HA   ASP 326           HA       ASP 326  11.053   4.763 -22.259
  687   1HB   ASP 326          1HB       ASP 326  11.027   7.115 -21.156
  688   2HB   ASP 326          2HB       ASP 326  10.027   6.353 -19.924
  689    H    HIS 327           H        HIS 327  10.759   2.740 -21.629
  690    HA   HIS 327           HA       HIS 327   9.806   0.842 -20.818
  691   1HB   HIS 327          1HB       HIS 327   9.641   2.826 -18.732
  692   2HB   HIS 327          2HB       HIS 327   8.268   1.731 -18.632
  693    HD1  HIS 327           HD1      HIS 327  11.317   2.058 -17.093
  694    HD2  HIS 327           HD2      HIS 327   9.560  -1.123 -19.107
  695    HE1  HIS 327           HE1      HIS 327  12.498   0.001 -16.260
  696    HE2  HIS 327           HE2      HIS 327  11.481  -1.902 -17.562
  Start of MODEL    6
    1    HA   ALA 242           HA       ALA 242 -11.485  15.085 -39.471
    2   1HB   ALA 242          1HB       ALA 242 -13.785  15.894 -38.641
    3   2HB   ALA 242          2HB       ALA 242 -13.513  14.160 -38.812
    4   3HB   ALA 242          3HB       ALA 242 -14.425  15.035 -40.042
    5    H    GLN 243           H        GLN 243 -10.264  14.584 -41.364
    6    HA   GLN 243           HA       GLN 243 -11.839  13.218 -43.446
    7   1HB   GLN 243          1HB       GLN 243 -10.269  15.366 -43.900
    8   2HB   GLN 243          2HB       GLN 243  -9.084  14.082 -44.097
    9   1HG   GLN 243          1HG       GLN 243 -10.437  13.044 -45.807
   10   2HG   GLN 243          2HG       GLN 243 -11.701  14.251 -45.572
   11   1HE2  GLN 243          1HE2      GLN 243 -11.118  14.233 -48.007
   12   2HE2  GLN 243          2HE2      GLN 243  -9.984  15.439 -48.496
   13    HA   PRO 244           HA       PRO 244  -9.471   9.912 -41.283
   14   1HB   PRO 244          1HB       PRO 244 -11.562   8.285 -42.603
   15   2HB   PRO 244          2HB       PRO 244 -11.050   8.302 -40.912
   16   1HG   PRO 244          1HG       PRO 244 -13.386   9.364 -41.661
   17   2HG   PRO 244          2HG       PRO 244 -12.404  10.101 -40.381
   18   1HD   PRO 244          1HD       PRO 244 -12.722  10.926 -43.241
   19   2HD   PRO 244          2HD       PRO 244 -12.621  11.933 -41.781
   20    H    SER 245           H        SER 245 -10.361  10.521 -44.545
   21    HA   SER 245           HA       SER 245  -8.492   8.467 -45.518
   22   1HB   SER 245          1HB       SER 245  -9.596   8.855 -47.740
   23   2HB   SER 245          2HB       SER 245 -10.681   8.223 -46.502
   24    HG   SER 245           HG       SER 245 -11.862   9.881 -47.026
   25    H    SER 246           H        SER 246  -6.534   9.165 -46.031
   26    HA   SER 246           HA       SER 246  -5.896  11.929 -46.255
   27   1HB   SER 246          1HB       SER 246  -3.640  10.895 -47.093
   28   2HB   SER 246          2HB       SER 246  -4.128  10.673 -45.413
   29    HG   SER 246           HG       SER 246  -4.763   8.606 -45.874
   30    H    GLN 247           H        GLN 247  -4.899   9.534 -48.660
   31    HA   GLN 247           HA       GLN 247  -6.413  10.643 -50.796
   32   1HB   GLN 247          1HB       GLN 247  -4.519  11.594 -52.078
   33   2HB   GLN 247          2HB       GLN 247  -4.864  12.491 -50.606
   34   1HG   GLN 247          1HG       GLN 247  -2.958  11.670 -49.523
   35   2HG   GLN 247          2HG       GLN 247  -2.741  10.380 -50.704
   36   1HE2  GLN 247          1HE2      GLN 247  -1.668  13.346 -49.732
   37   2HE2  GLN 247          2HE2      GLN 247  -0.872  13.848 -51.182
   38    H    LYS 248           H        LYS 248  -4.272   8.421 -49.440
   39    HA   LYS 248           HA       LYS 248  -4.450   6.748 -51.844
   40   1HB   LYS 248          1HB       LYS 248  -2.068   5.918 -50.950
   41   2HB   LYS 248          2HB       LYS 248  -2.238   7.205 -52.135
   42   1HG   LYS 248          1HG       LYS 248  -1.762   8.867 -50.588
   43   2HG   LYS 248          2HG       LYS 248  -2.144   7.830 -49.211
   44   1HD   LYS 248          1HD       LYS 248   0.059   7.505 -49.034
   45   2HD   LYS 248          2HD       LYS 248  -0.092   6.483 -50.465
   46   1HE   LYS 248          1HE       LYS 248   1.671   8.049 -50.857
   47   2HE   LYS 248          2HE       LYS 248   0.299   8.508 -51.865
   48   1HZ   LYS 248          1HZ       LYS 248   0.937   9.742 -49.241
   49   2HZ   LYS 248          2HZ       LYS 248  -0.266  10.235 -50.322
   50   3HZ   LYS 248          3HZ       LYS 248   1.365  10.405 -50.737
   51    H    ALA 249           H        ALA 249  -3.406   4.450 -51.082
   52    HA   ALA 249           HA       ALA 249  -5.242   3.518 -49.069
   53   1HB   ALA 249          1HB       ALA 249  -4.653   1.340 -49.731
   54   2HB   ALA 249          2HB       ALA 249  -3.110   1.872 -50.398
   55   3HB   ALA 249          3HB       ALA 249  -4.615   2.297 -51.212
   56    H    THR 250           H        THR 250  -4.828   3.053 -46.997
   57    HA   THR 250           HA       THR 250  -2.153   2.515 -46.059
   58    HB   THR 250           HB       THR 250  -2.750   4.434 -44.221
   59    HG1  THR 250           HG1      THR 250  -4.000   5.899 -45.082
   60   1HG2  THR 250          1HG2      THR 250  -1.145   5.883 -45.664
   61   2HG2  THR 250          2HG2      THR 250  -1.067   4.457 -46.698
   62   3HG2  THR 250          3HG2      THR 250  -0.568   4.349 -45.010
   63    H    ASN 251           H        ASN 251  -2.345   2.638 -43.434
   64    HA   ASN 251           HA       ASN 251  -4.227   0.584 -42.794
   65   1HB   ASN 251          1HB       ASN 251  -2.559   2.171 -40.839
   66   2HB   ASN 251          2HB       ASN 251  -3.219   0.552 -40.625
   67   1HD2  ASN 251          1HD2      ASN 251  -0.916   2.449 -42.492
   68   2HD2  ASN 251          2HD2      ASN 251   0.163   1.143 -42.832
   69    H    HIS 252           H        HIS 252  -5.305   0.956 -40.449
   70    HA   HIS 252           HA       HIS 252  -6.989   3.351 -40.759
   71   1HB   HIS 252          1HB       HIS 252  -7.600   0.581 -39.756
   72   2HB   HIS 252          2HB       HIS 252  -8.623   1.947 -39.324
   73    HD1  HIS 252           HD1      HIS 252  -8.622  -0.679 -41.605
   74    HD2  HIS 252           HD2      HIS 252  -9.255   3.408 -42.002
   75    HE1  HIS 252           HE1      HIS 252  -9.910  -0.404 -43.746
   76    HE2  HIS 252           HE2      HIS 252 -10.213   2.084 -44.006
   77    H    ASN 253           H        ASN 253  -4.657   3.791 -39.486
   78    HA   ASN 253           HA       ASN 253  -3.719   4.600 -37.578
   79   1HB   ASN 253          1HB       ASN 253  -6.638   4.863 -36.837
   80   2HB   ASN 253          2HB       ASN 253  -5.324   5.528 -35.873
   81   1HD2  ASN 253          1HD2      ASN 253  -5.006   7.595 -36.201
   82   2HD2  ASN 253          2HD2      ASN 253  -5.242   8.446 -37.686
   83    H    LEU 254           H        LEU 254  -3.655   1.881 -37.729
   84    HA   LEU 254           HA       LEU 254  -4.369   0.929 -35.050
   85   1HB   LEU 254          1HB       LEU 254  -3.458  -0.762 -37.364
   86   2HB   LEU 254          2HB       LEU 254  -4.299  -1.271 -35.916
   87    HG   LEU 254           HG       LEU 254  -5.846   0.665 -37.430
   88   1HD1  LEU 254          1HD1      LEU 254  -4.787  -0.235 -39.372
   89   2HD1  LEU 254          2HD1      LEU 254  -6.403  -0.934 -39.263
   90   3HD1  LEU 254          3HD1      LEU 254  -4.997  -1.886 -38.788
   91   1HD2  LEU 254          1HD2      LEU 254  -6.855  -2.057 -37.147
   92   2HD2  LEU 254          2HD2      LEU 254  -7.532  -0.530 -36.581
   93   3HD2  LEU 254          3HD2      LEU 254  -6.297  -1.354 -35.629
   94    H    HIS 255           H        HIS 255  -2.005   2.605 -35.895
   95    HA   HIS 255           HA       HIS 255   0.325   1.001 -35.758
   96   1HB   HIS 255          1HB       HIS 255   1.443   3.207 -35.157
   97   2HB   HIS 255          2HB       HIS 255   0.579   3.165 -36.690
   98    HD1  HIS 255           HD1      HIS 255  -0.742   5.210 -37.066
   99    HD2  HIS 255           HD2      HIS 255  -0.473   4.281 -33.023
  100    HE1  HIS 255           HE1      HIS 255  -1.990   7.038 -35.871
  101    HE2  HIS 255           HE2      HIS 255  -1.853   6.430 -33.429
  102    H    ILE 256           H        ILE 256  -1.962   1.777 -33.435
  103    HA   ILE 256           HA       ILE 256  -0.296   2.010 -31.134
  104    HB   ILE 256           HB       ILE 256  -2.996   0.877 -30.749
  105   1HG1  ILE 256          1HG1      ILE 256  -3.509   3.596 -31.154
  106   2HG1  ILE 256          2HG1      ILE 256  -2.556   3.107 -32.552
  107   1HG2  ILE 256          1HG2      ILE 256  -1.674   1.645 -28.876
  108   2HG2  ILE 256          2HG2      ILE 256  -3.101   2.665 -29.060
  109   3HG2  ILE 256          3HG2      ILE 256  -1.527   3.246 -29.602
  110   1HD1  ILE 256          1HD1      ILE 256  -4.765   1.315 -31.781
  111   2HD1  ILE 256          2HD1      ILE 256  -4.196   1.802 -33.378
  112   3HD1  ILE 256          3HD1      ILE 256  -5.213   2.891 -32.433
  113    H    THR 257           H        THR 257  -1.859  -0.669 -32.788
  114    HA   THR 257           HA       THR 257  -1.396  -2.655 -30.842
  115    HB   THR 257           HB       THR 257  -2.073  -4.220 -32.417
  116    HG1  THR 257           HG1      THR 257  -0.770  -4.209 -34.111
  117   1HG2  THR 257          1HG2      THR 257  -3.339  -2.257 -34.105
  118   2HG2  THR 257          2HG2      THR 257  -3.407  -1.756 -32.415
  119   3HG2  THR 257          3HG2      THR 257  -4.059  -3.322 -32.897
  120    H    GLU 258           H        GLU 258   0.589  -1.270 -33.351
  121    HA   GLU 258           HA       GLU 258   2.602  -3.243 -33.426
  122   1HB   GLU 258          1HB       GLU 258   2.796  -0.285 -34.022
  123   2HB   GLU 258          2HB       GLU 258   3.993  -1.494 -34.468
  124   1HG   GLU 258          1HG       GLU 258   2.438  -2.567 -35.945
  125   2HG   GLU 258          2HG       GLU 258   1.137  -1.503 -35.412
  126    H    LYS 259           H        LYS 259   2.533  -0.088 -31.758
  127    HA   LYS 259           HA       LYS 259   4.953  -0.370 -30.385
  128   1HB   LYS 259          1HB       LYS 259   2.746   1.459 -30.405
  129   2HB   LYS 259          2HB       LYS 259   3.169   1.102 -28.737
  130   1HG   LYS 259          1HG       LYS 259   5.071   2.088 -30.854
  131   2HG   LYS 259          2HG       LYS 259   4.346   3.068 -29.579
  132   1HD   LYS 259          1HD       LYS 259   5.861   0.614 -28.822
  133   2HD   LYS 259          2HD       LYS 259   6.760   2.053 -29.307
  134   1HE   LYS 259          1HE       LYS 259   5.483   3.346 -27.608
  135   2HE   LYS 259          2HE       LYS 259   4.750   1.835 -27.071
  136   1HZ   LYS 259          1HZ       LYS 259   6.863   1.015 -26.400
  137   2HZ   LYS 259          2HZ       LYS 259   6.704   2.567 -25.746
  138   3HZ   LYS 259          3HZ       LYS 259   7.678   2.319 -27.107
  139    H    LEU 260           H        LEU 260   1.833  -1.764 -29.765
  140    HA   LEU 260           HA       LEU 260   2.445  -2.470 -27.035
  141   1HB   LEU 260          1HB       LEU 260   0.105  -2.160 -28.341
  142   2HB   LEU 260          2HB       LEU 260   0.287  -3.900 -28.472
  143    HG   LEU 260           HG       LEU 260   0.604  -3.934 -25.953
  144   1HD1  LEU 260          1HD1      LEU 260   1.141  -1.598 -25.622
  145   2HD1  LEU 260          2HD1      LEU 260  -0.319  -2.018 -24.726
  146   3HD1  LEU 260          3HD1      LEU 260  -0.441  -1.121 -26.239
  147   1HD2  LEU 260          1HD2      LEU 260  -1.918  -3.450 -25.590
  148   2HD2  LEU 260          2HD2      LEU 260  -1.435  -4.763 -26.663
  149   3HD2  LEU 260          3HD2      LEU 260  -1.948  -3.217 -27.337
  150    H    GLU 261           H        GLU 261   3.083  -3.740 -30.132
  151    HA   GLU 261           HA       GLU 261   3.413  -6.473 -29.246
  152   1HB   GLU 261          1HB       GLU 261   3.375  -5.023 -31.799
  153   2HB   GLU 261          2HB       GLU 261   4.560  -6.317 -31.729
  154   1HG   GLU 261          1HG       GLU 261   2.029  -7.176 -30.660
  155   2HG   GLU 261          2HG       GLU 261   1.850  -6.540 -32.293
  156    H    VAL 262           H        VAL 262   5.355  -3.656 -30.019
  157    HA   VAL 262           HA       VAL 262   7.863  -4.980 -29.861
  158    HB   VAL 262           HB       VAL 262   8.383  -2.327 -29.429
  159   1HG1  VAL 262          1HG1      VAL 262   7.960  -3.772 -32.026
  160   2HG1  VAL 262          2HG1      VAL 262   9.454  -3.728 -31.086
  161   3HG1  VAL 262          3HG1      VAL 262   8.848  -2.258 -31.853
  162   1HG2  VAL 262          1HG2      VAL 262   6.947  -0.958 -30.636
  163   2HG2  VAL 262          2HG2      VAL 262   5.882  -1.968 -29.659
  164   3HG2  VAL 262          3HG2      VAL 262   6.119  -2.332 -31.369
  165    H    LEU 263           H        LEU 263   5.677  -3.536 -27.606
  166    HA   LEU 263           HA       LEU 263   7.622  -3.210 -25.504
  167   1HB   LEU 263          1HB       LEU 263   4.841  -2.529 -25.939
  168   2HB   LEU 263          2HB       LEU 263   5.083  -3.248 -24.366
  169    HG   LEU 263           HG       LEU 263   7.022  -1.201 -25.044
  170   1HD1  LEU 263          1HD1      LEU 263   5.579   0.337 -25.760
  171   2HD1  LEU 263          2HD1      LEU 263   4.924   0.337 -24.123
  172   3HD1  LEU 263          3HD1      LEU 263   4.195  -0.682 -25.364
  173   1HD2  LEU 263          1HD2      LEU 263   6.311  -2.524 -22.813
  174   2HD2  LEU 263          2HD2      LEU 263   5.380  -1.036 -22.623
  175   3HD2  LEU 263          3HD2      LEU 263   7.131  -0.963 -22.817
  176    H    ALA 264           H        ALA 264   5.140  -5.538 -26.410
  177    HA   ALA 264           HA       ALA 264   5.267  -7.148 -24.100
  178   1HB   ALA 264          1HB       ALA 264   4.038  -8.765 -25.328
  179   2HB   ALA 264          2HB       ALA 264   4.593  -8.115 -26.870
  180   3HB   ALA 264          3HB       ALA 264   3.475  -7.186 -25.872
  181    H    LYS 265           H        LYS 265   6.927  -7.364 -27.230
  182    HA   LYS 265           HA       LYS 265   8.388  -9.708 -26.651
  183   1HB   LYS 265          1HB       LYS 265   8.065  -8.833 -28.937
  184   2HB   LYS 265          2HB       LYS 265   9.084  -7.454 -28.544
  185   1HG   LYS 265          1HG       LYS 265  10.650  -9.635 -27.889
  186   2HG   LYS 265          2HG       LYS 265   9.818 -10.132 -29.364
  187   1HD   LYS 265          1HD       LYS 265  11.357  -8.970 -30.486
  188   2HD   LYS 265          2HD       LYS 265  10.580  -7.513 -29.863
  189   1HE   LYS 265          1HE       LYS 265  12.229  -7.112 -28.374
  190   2HE   LYS 265          2HE       LYS 265  12.473  -8.824 -28.028
  191   1HZ   LYS 265          1HZ       LYS 265  13.848  -7.119 -29.885
  192   2HZ   LYS 265          2HZ       LYS 265  13.344  -8.575 -30.581
  193   3HZ   LYS 265          3HZ       LYS 265  14.332  -8.593 -29.208
  194    H    ALA 266           H        ALA 266   8.940  -6.321 -26.008
  195    HA   ALA 266           HA       ALA 266  11.661  -6.394 -25.355
  196   1HB   ALA 266          1HB       ALA 266   9.496  -4.521 -25.152
  197   2HB   ALA 266          2HB       ALA 266  11.230  -4.217 -25.244
  198   3HB   ALA 266          3HB       ALA 266  10.464  -4.490 -23.678
  199    H    TYR 267           H        TYR 267   8.777  -6.786 -23.315
  200    HA   TYR 267           HA       TYR 267  10.117  -7.137 -20.876
  201   1HB   TYR 267          1HB       TYR 267   7.442  -8.185 -21.822
  202   2HB   TYR 267          2HB       TYR 267   8.014  -8.328 -20.165
  203    HD1  TYR 267           HD1      TYR 267   5.724  -6.646 -21.898
  204    HD2  TYR 267           HD2      TYR 267   9.157  -5.768 -19.543
  205    HE1  TYR 267           HE1      TYR 267   4.802  -4.423 -21.393
  206    HE2  TYR 267           HE2      TYR 267   8.243  -3.543 -19.031
  207    HH   TYR 267           HH       TYR 267   5.053  -2.547 -20.221
  208    H    SER 268           H        SER 268   9.320  -9.357 -23.472
  209    HA   SER 268           HA       SER 268   9.901 -11.772 -22.164
  210   1HB   SER 268          1HB       SER 268   9.109 -11.012 -24.735
  211   2HB   SER 268          2HB       SER 268  10.661 -11.816 -24.969
  212    HG   SER 268           HG       SER 268   8.758 -13.211 -24.967
  213    H    VAL 269           H        VAL 269  11.934  -9.359 -23.667
  214    HA   VAL 269           HA       VAL 269  14.314 -10.995 -23.581
  215    HB   VAL 269           HB       VAL 269  14.297  -8.005 -23.898
  216   1HG1  VAL 269          1HG1      VAL 269  16.051  -9.674 -25.544
  217   2HG1  VAL 269          2HG1      VAL 269  16.341  -9.805 -23.809
  218   3HG1  VAL 269          3HG1      VAL 269  16.414  -8.230 -24.598
  219   1HG2  VAL 269          1HG2      VAL 269  14.252  -9.497 -26.394
  220   2HG2  VAL 269          2HG2      VAL 269  13.347  -8.061 -25.916
  221   3HG2  VAL 269          3HG2      VAL 269  12.759  -9.663 -25.471
  222    H    GLN 270           H        GLN 270  12.596  -9.017 -21.404
  223    HA   GLN 270           HA       GLN 270  14.904  -8.451 -19.730
  224   1HB   GLN 270          1HB       GLN 270  13.688  -6.660 -19.194
  225   2HB   GLN 270          2HB       GLN 270  12.345  -7.274 -20.141
  226   1HG   GLN 270          1HG       GLN 270  11.173  -7.788 -18.337
  227   2HG   GLN 270          2HG       GLN 270  12.550  -8.582 -17.584
  228   1HE2  GLN 270          1HE2      GLN 270  13.971  -7.357 -16.304
  229   2HE2  GLN 270          2HE2      GLN 270  13.494  -5.839 -15.630
  230    H    GLY 271           H        GLY 271  12.317 -10.728 -19.975
  231   1HA   GLY 271          1HA       GLY 271  12.580 -12.855 -18.847
  232   2HA   GLY 271          2HA       GLY 271  13.263 -11.987 -17.481
  233    H    ASP 272           H        ASP 272  10.440 -10.817 -19.152
  234    HA   ASP 272           HA       ASP 272   8.813 -11.540 -16.804
  235   1HB   ASP 272          1HB       ASP 272   9.174  -9.015 -18.231
  236   2HB   ASP 272          2HB       ASP 272   7.478  -9.460 -18.055
  237    H    LYS 273           H        LYS 273   8.259 -13.546 -17.806
  238    HA   LYS 273           HA       LYS 273   7.000 -13.683 -20.349
  239   1HB   LYS 273          1HB       LYS 273   8.133 -15.538 -18.843
  240   2HB   LYS 273          2HB       LYS 273   6.490 -15.744 -18.249
  241   1HG   LYS 273          1HG       LYS 273   6.371 -17.219 -19.942
  242   2HG   LYS 273          2HG       LYS 273   6.017 -15.772 -20.888
  243   1HD   LYS 273          1HD       LYS 273   8.506 -15.594 -21.308
  244   2HD   LYS 273          2HD       LYS 273   8.647 -17.211 -20.616
  245   1HE   LYS 273          1HE       LYS 273   6.818 -16.560 -22.914
  246   2HE   LYS 273          2HE       LYS 273   8.485 -17.091 -23.134
  247   1HZ   LYS 273          1HZ       LYS 273   6.149 -18.605 -22.306
  248   2HZ   LYS 273          2HZ       LYS 273   7.583 -18.970 -21.486
  249   3HZ   LYS 273          3HZ       LYS 273   7.515 -19.105 -23.171
  250    H    TRP 274           H        TRP 274   5.825 -13.319 -17.057
  251    HA   TRP 274           HA       TRP 274   3.080 -13.749 -17.664
  252   1HB   TRP 274          1HB       TRP 274   4.637 -12.775 -15.335
  253   2HB   TRP 274          2HB       TRP 274   2.949 -12.279 -15.412
  254    HD1  TRP 274           HD1      TRP 274   1.148 -14.049 -14.767
  255    HE1  TRP 274           HE1      TRP 274   1.241 -16.493 -13.967
  256    HE3  TRP 274           HE3      TRP 274   6.087 -15.014 -15.672
  257    HZ2  TRP 274           HZ2      TRP 274   3.155 -18.559 -13.749
  258    HZ3  TRP 274           HZ3      TRP 274   6.969 -17.248 -15.141
  259    HH2  TRP 274           HH2      TRP 274   5.533 -18.982 -14.199
  260    H    ARG 275           H        ARG 275   4.994 -10.789 -17.152
  261    HA   ARG 275           HA       ARG 275   2.895  -8.977 -17.605
  262   1HB   ARG 275          1HB       ARG 275   5.792  -8.857 -17.313
  263   2HB   ARG 275          2HB       ARG 275   5.187  -7.664 -18.454
  264   1HG   ARG 275          1HG       ARG 275   3.642  -7.828 -15.978
  265   2HG   ARG 275          2HG       ARG 275   5.322  -7.334 -15.756
  266   1HD   ARG 275          1HD       ARG 275   3.767  -6.059 -17.944
  267   2HD   ARG 275          2HD       ARG 275   3.398  -5.588 -16.287
  268    HE   ARG 275           HE       ARG 275   5.858  -5.068 -17.748
  269   1HH1  ARG 275          1HH1      ARG 275   4.147  -4.981 -14.712
  270   2HH1  ARG 275          2HH1      ARG 275   5.228  -3.836 -13.990
  271   1HH2  ARG 275          1HH2      ARG 275   7.287  -3.565 -16.801
  272   2HH2  ARG 275          2HH2      ARG 275   7.011  -3.032 -15.177
  273    H    ALA 276           H        ALA 276   5.316 -10.340 -19.807
  274    HA   ALA 276           HA       ALA 276   4.482  -8.887 -22.090
  275   1HB   ALA 276          1HB       ALA 276   5.815 -11.570 -22.221
  276   2HB   ALA 276          2HB       ALA 276   6.689 -10.130 -21.696
  277   3HB   ALA 276          3HB       ALA 276   5.982 -10.194 -23.311
  278    H    LEU 277           H        LEU 277   3.197 -11.641 -20.489
  279    HA   LEU 277           HA       LEU 277   1.849 -12.777 -22.739
  280   1HB   LEU 277          1HB       LEU 277   1.857 -14.443 -21.253
  281   2HB   LEU 277          2HB       LEU 277   2.166 -13.350 -19.920
  282    HG   LEU 277           HG       LEU 277  -0.410 -12.842 -20.144
  283   1HD1  LEU 277          1HD1      LEU 277  -0.013 -15.354 -21.683
  284   2HD1  LEU 277          2HD1      LEU 277  -1.173 -14.047 -21.926
  285   3HD1  LEU 277          3HD1      LEU 277  -1.428 -15.223 -20.638
  286   1HD2  LEU 277          1HD2      LEU 277   1.102 -14.940 -18.729
  287   2HD2  LEU 277          2HD2      LEU 277  -0.652 -15.123 -18.739
  288   3HD2  LEU 277          3HD2      LEU 277   0.077 -13.652 -18.095
  289    H    GLY 278           H        GLY 278   0.829 -10.720 -20.019
  290   1HA   GLY 278          1HA       GLY 278  -1.880 -10.521 -20.785
  291   2HA   GLY 278          2HA       GLY 278  -1.031  -9.402 -19.731
  292    H    TYR 279           H        TYR 279   0.940  -8.547 -21.593
  293    HA   TYR 279           HA       TYR 279  -0.439  -6.453 -22.860
  294   1HB   TYR 279          1HB       TYR 279   2.361  -7.479 -22.917
  295   2HB   TYR 279          2HB       TYR 279   1.868  -6.345 -24.170
  296    HD1  TYR 279           HD1      TYR 279   2.300  -4.121 -23.758
  297    HD2  TYR 279           HD2      TYR 279   1.554  -6.697 -20.455
  298    HE1  TYR 279           HE1      TYR 279   2.684  -2.245 -22.215
  299    HE2  TYR 279           HE2      TYR 279   1.937  -4.829 -18.904
  300    HH   TYR 279           HH       TYR 279   2.592  -1.556 -20.096
  301    H    ALA 280           H        ALA 280   0.858  -9.502 -24.106
  302    HA   ALA 280           HA       ALA 280   0.282  -9.014 -26.829
  303   1HB   ALA 280          1HB       ALA 280   1.123 -11.075 -27.199
  304   2HB   ALA 280          2HB       ALA 280   0.174 -11.811 -25.907
  305   3HB   ALA 280          3HB       ALA 280   1.654 -10.934 -25.522
  306    H    LYS 281           H        LYS 281  -1.635 -10.194 -24.158
  307    HA   LYS 281           HA       LYS 281  -3.752 -11.354 -25.590
  308   1HB   LYS 281          1HB       LYS 281  -3.410 -11.593 -23.143
  309   2HB   LYS 281          2HB       LYS 281  -3.876  -9.911 -22.933
  310   1HG   LYS 281          1HG       LYS 281  -5.813 -11.066 -22.419
  311   2HG   LYS 281          2HG       LYS 281  -6.066 -10.600 -24.103
  312   1HD   LYS 281          1HD       LYS 281  -6.698 -12.836 -24.084
  313   2HD   LYS 281          2HD       LYS 281  -5.030 -12.904 -24.653
  314   1HE   LYS 281          1HE       LYS 281  -4.380 -14.093 -22.881
  315   2HE   LYS 281          2HE       LYS 281  -5.200 -13.007 -21.760
  316   1HZ   LYS 281          1HZ       LYS 281  -6.157 -15.480 -22.991
  317   2HZ   LYS 281          2HZ       LYS 281  -7.294 -14.259 -22.711
  318   3HZ   LYS 281          3HZ       LYS 281  -6.396 -14.891 -21.424
  319    H    ALA 282           H        ALA 282  -3.166  -8.032 -24.537
  320    HA   ALA 282           HA       ALA 282  -5.626  -6.938 -25.343
  321   1HB   ALA 282          1HB       ALA 282  -2.922  -5.841 -24.752
  322   2HB   ALA 282          2HB       ALA 282  -4.474  -5.496 -23.989
  323   3HB   ALA 282          3HB       ALA 282  -4.094  -4.803 -25.565
  324    H    ILE 283           H        ILE 283  -2.514  -7.210 -27.037
  325    HA   ILE 283           HA       ILE 283  -3.235  -5.907 -29.404
  326    HB   ILE 283           HB       ILE 283  -1.361  -8.267 -29.277
  327   1HG1  ILE 283          1HG1      ILE 283  -0.443  -5.443 -28.880
  328   2HG1  ILE 283          2HG1      ILE 283  -1.063  -6.351 -27.504
  329   1HG2  ILE 283          1HG2      ILE 283  -0.516  -7.563 -31.260
  330   2HG2  ILE 283          2HG2      ILE 283  -0.836  -5.862 -30.919
  331   3HG2  ILE 283          3HG2      ILE 283  -2.148  -6.921 -31.438
  332   1HD1  ILE 283          1HD1      ILE 283   1.126  -6.868 -27.307
  333   2HD1  ILE 283          2HD1      ILE 283   1.441  -6.687 -29.032
  334   3HD1  ILE 283          3HD1      ILE 283   0.663  -8.149 -28.426
  335    H    ASN 284           H        ASN 284  -3.866  -9.159 -28.282
  336    HA   ASN 284           HA       ASN 284  -4.611 -10.318 -30.728
  337   1HB   ASN 284          1HB       ASN 284  -4.180 -11.702 -28.801
  338   2HB   ASN 284          2HB       ASN 284  -5.502 -10.942 -27.933
  339   1HD2  ASN 284          1HD2      ASN 284  -4.838 -12.746 -30.898
  340   2HD2  ASN 284          2HD2      ASN 284  -6.314 -13.642 -30.891
  341    H    ALA 285           H        ALA 285  -6.400  -8.456 -28.344
  342    HA   ALA 285           HA       ALA 285  -8.966  -8.826 -29.487
  343   1HB   ALA 285          1HB       ALA 285  -8.180  -7.859 -27.149
  344   2HB   ALA 285          2HB       ALA 285  -9.732  -7.420 -27.864
  345   3HB   ALA 285          3HB       ALA 285  -8.356  -6.327 -28.006
  346    H    LEU 286           H        LEU 286  -6.464  -6.363 -29.895
  347    HA   LEU 286           HA       LEU 286  -8.039  -4.779 -31.704
  348   1HB   LEU 286          1HB       LEU 286  -5.169  -4.364 -31.888
  349   2HB   LEU 286          2HB       LEU 286  -6.434  -3.237 -31.448
  350    HG   LEU 286           HG       LEU 286  -5.324  -5.250 -29.505
  351   1HD1  LEU 286          1HD1      LEU 286  -4.149  -3.100 -28.624
  352   2HD1  LEU 286          2HD1      LEU 286  -4.296  -2.563 -30.297
  353   3HD1  LEU 286          3HD1      LEU 286  -3.410  -4.041 -29.920
  354   1HD2  LEU 286          1HD2      LEU 286  -6.692  -2.623 -28.984
  355   2HD2  LEU 286          2HD2      LEU 286  -6.352  -3.922 -27.841
  356   3HD2  LEU 286          3HD2      LEU 286  -7.561  -4.152 -29.105
  357    H    LYS 287           H        LYS 287  -6.065  -7.548 -31.953
  358    HA   LYS 287           HA       LYS 287  -5.121  -7.288 -34.595
  359   1HB   LYS 287          1HB       LYS 287  -4.840  -9.133 -32.559
  360   2HB   LYS 287          2HB       LYS 287  -5.741 -10.025 -33.777
  361   1HG   LYS 287          1HG       LYS 287  -3.825 -10.429 -34.805
  362   2HG   LYS 287          2HG       LYS 287  -3.706  -8.706 -35.168
  363   1HD   LYS 287          1HD       LYS 287  -2.704  -8.489 -32.810
  364   2HD   LYS 287          2HD       LYS 287  -2.493 -10.239 -32.891
  365   1HE   LYS 287          1HE       LYS 287  -0.460  -9.127 -33.590
  366   2HE   LYS 287          2HE       LYS 287  -1.191  -9.962 -34.961
  367   1HZ   LYS 287          1HZ       LYS 287  -1.277  -8.059 -36.060
  368   2HZ   LYS 287          2HZ       LYS 287  -0.492  -7.279 -34.781
  369   3HZ   LYS 287          3HZ       LYS 287  -2.181  -7.329 -34.830
  370    H    SER 288           H        SER 288  -8.069  -8.715 -33.255
  371    HA   SER 288           HA       SER 288  -9.042  -9.443 -35.886
  372   1HB   SER 288          1HB       SER 288  -9.686 -10.124 -33.143
  373   2HB   SER 288          2HB       SER 288 -11.140  -9.725 -34.056
  374    HG   SER 288           HG       SER 288  -9.596 -11.931 -34.188
  375    H    PHE 289           H        PHE 289  -8.771  -6.580 -34.449
  376    HA   PHE 289           HA       PHE 289 -11.444  -5.609 -35.151
  377   1HB   PHE 289          1HB       PHE 289  -9.894  -5.047 -32.982
  378   2HB   PHE 289          2HB       PHE 289  -9.495  -3.695 -34.039
  379    HD1  PHE 289           HD1      PHE 289 -11.293  -2.178 -34.823
  380    HD2  PHE 289           HD2      PHE 289 -11.995  -5.203 -31.915
  381    HE1  PHE 289           HE1      PHE 289 -13.379  -1.052 -34.163
  382    HE2  PHE 289           HE2      PHE 289 -14.083  -4.084 -31.249
  383    HZ   PHE 289           HZ       PHE 289 -14.777  -2.006 -32.374
  384    H    HIS 290           H        HIS 290 -11.783  -4.675 -37.046
  385    HA   HIS 290           HA       HIS 290  -9.497  -3.869 -38.674
  386   1HB   HIS 290          1HB       HIS 290 -12.423  -4.172 -39.379
  387   2HB   HIS 290          2HB       HIS 290 -11.151  -3.742 -40.518
  388    HD1  HIS 290           HD1      HIS 290 -10.133  -6.294 -38.092
  389    HD2  HIS 290           HD2      HIS 290 -11.932  -6.194 -41.836
  390    HE1  HIS 290           HE1      HIS 290  -9.945  -8.636 -38.991
  391    HE2  HIS 290           HE2      HIS 290 -10.967  -8.532 -41.291
  392    H    LYS 291           H        LYS 291 -12.588  -2.541 -37.532
  393    HA   LYS 291           HA       LYS 291 -12.401  -0.007 -38.652
  394   1HB   LYS 291          1HB       LYS 291 -14.092  -1.324 -36.827
  395   2HB   LYS 291          2HB       LYS 291 -13.566   0.148 -36.022
  396   1HG   LYS 291          1HG       LYS 291 -14.459   1.516 -37.721
  397   2HG   LYS 291          2HG       LYS 291 -14.683   0.144 -38.808
  398   1HD   LYS 291          1HD       LYS 291 -16.060  -0.050 -36.210
  399   2HD   LYS 291          2HD       LYS 291 -16.649   1.214 -37.292
  400   1HE   LYS 291          1HE       LYS 291 -16.923  -0.455 -39.071
  401   2HE   LYS 291          2HE       LYS 291 -16.359  -1.712 -37.970
  402   1HZ   LYS 291          1HZ       LYS 291 -18.260  -1.112 -36.507
  403   2HZ   LYS 291          2HZ       LYS 291 -18.719  -1.765 -37.999
  404   3HZ   LYS 291          3HZ       LYS 291 -18.837  -0.099 -37.733
  405    HA   PRO 292           HA       PRO 292  -9.116   2.001 -36.484
  406   1HB   PRO 292          1HB       PRO 292 -10.533   4.547 -36.781
  407   2HB   PRO 292          2HB       PRO 292  -9.025   4.016 -37.525
  408   1HG   PRO 292          1HG       PRO 292 -11.307   4.322 -38.936
  409   2HG   PRO 292          2HG       PRO 292 -10.088   3.101 -39.345
  410   1HD   PRO 292          1HD       PRO 292 -12.689   2.775 -37.899
  411   2HD   PRO 292          2HD       PRO 292 -11.935   1.722 -39.114
  412    H    VAL 293           H        VAL 293  -8.978   4.022 -34.844
  413    HA   VAL 293           HA       VAL 293 -10.943   3.472 -32.716
  414    HB   VAL 293           HB       VAL 293  -7.985   4.028 -32.483
  415   1HG1  VAL 293          1HG1      VAL 293  -8.217   4.100 -30.101
  416   2HG1  VAL 293          2HG1      VAL 293  -9.944   3.755 -30.205
  417   3HG1  VAL 293          3HG1      VAL 293  -9.315   5.297 -30.787
  418   1HG2  VAL 293          1HG2      VAL 293  -7.850   1.813 -32.426
  419   2HG2  VAL 293          2HG2      VAL 293  -9.606   1.669 -32.509
  420   3HG2  VAL 293          3HG2      VAL 293  -8.809   1.829 -30.945
  421    H    THR 294           H        THR 294 -11.579   5.179 -31.388
  422    HA   THR 294           HA       THR 294 -10.985   7.870 -32.440
  423    HB   THR 294           HB       THR 294 -13.272   8.547 -31.852
  424    HG1  THR 294           HG1      THR 294 -13.874   5.806 -31.432
  425   1HG2  THR 294          1HG2      THR 294 -13.406   6.075 -33.569
  426   2HG2  THR 294          2HG2      THR 294 -12.677   7.584 -34.119
  427   3HG2  THR 294          3HG2      THR 294 -14.386   7.537 -33.686
  428    H    SER 295           H        SER 295 -11.699   5.893 -29.630
  429    HA   SER 295           HA       SER 295 -10.213   7.666 -27.925
  430   1HB   SER 295          1HB       SER 295 -12.037   8.091 -26.327
  431   2HB   SER 295          2HB       SER 295 -12.401   8.789 -27.905
  432    HG   SER 295           HG       SER 295 -13.570   6.618 -26.597
  433    H    TYR 296           H        TYR 296 -10.928   6.775 -25.466
  434    HA   TYR 296           HA       TYR 296  -9.870   4.110 -25.473
  435   1HB   TYR 296          1HB       TYR 296  -9.769   4.313 -23.102
  436   2HB   TYR 296          2HB       TYR 296  -9.372   5.899 -23.750
  437    HD1  TYR 296           HD1      TYR 296 -10.734   4.694 -21.022
  438    HD2  TYR 296           HD2      TYR 296 -11.999   7.031 -24.341
  439    HE1  TYR 296           HE1      TYR 296 -12.502   5.695 -19.636
  440    HE2  TYR 296           HE2      TYR 296 -13.767   8.034 -22.976
  441    HH   TYR 296           HH       TYR 296 -15.074   7.076 -20.653
  442    H    GLN 297           H        GLN 297 -13.003   5.554 -25.260
  443    HA   GLN 297           HA       GLN 297 -14.477   3.575 -23.978
  444   1HB   GLN 297          1HB       GLN 297 -15.023   5.958 -25.330
  445   2HB   GLN 297          2HB       GLN 297 -15.940   4.735 -26.196
  446   1HG   GLN 297          1HG       GLN 297 -16.762   4.009 -23.871
  447   2HG   GLN 297          2HG       GLN 297 -16.162   5.578 -23.336
  448   1HE2  GLN 297          1HE2      GLN 297 -18.812   3.966 -24.414
  449   2HE2  GLN 297          2HE2      GLN 297 -19.743   5.298 -25.004
  450    H    GLU 298           H        GLU 298 -13.841   3.956 -27.460
  451    HA   GLU 298           HA       GLU 298 -15.239   1.769 -28.408
  452   1HB   GLU 298          1HB       GLU 298 -13.806   1.851 -30.353
  453   2HB   GLU 298          2HB       GLU 298 -14.130   3.486 -29.809
  454   1HG   GLU 298          1HG       GLU 298 -11.922   3.698 -30.158
  455   2HG   GLU 298          2HG       GLU 298 -11.864   3.102 -28.498
  456    H    ALA 299           H        ALA 299 -11.929   1.933 -27.211
  457    HA   ALA 299           HA       ALA 299 -11.344  -0.825 -27.586
  458   1HB   ALA 299          1HB       ALA 299  -9.278  -0.306 -26.852
  459   2HB   ALA 299          2HB       ALA 299  -9.884   0.599 -25.464
  460   3HB   ALA 299          3HB       ALA 299  -9.838   1.354 -27.058
  461    H    CYS 300           H        CYS 300 -12.892   1.001 -25.072
  462    HA   CYS 300           HA       CYS 300 -12.620  -0.922 -23.000
  463   1HB   CYS 300          1HB       CYS 300 -13.169   1.510 -22.672
  464   2HB   CYS 300          2HB       CYS 300 -14.785   1.169 -23.283
  465    HG   CYS 300           HG       CYS 300 -15.582   0.964 -20.833
  466    H    SER 301           H        SER 301 -14.527  -0.787 -25.804
  467    HA   SER 301           HA       SER 301 -16.502  -2.666 -24.720
  468   1HB   SER 301          1HB       SER 301 -16.599  -1.424 -27.461
  469   2HB   SER 301          2HB       SER 301 -17.926  -2.092 -26.513
  470    HG   SER 301           HG       SER 301 -16.735  -0.111 -25.149
  471    H    ILE 302           H        ILE 302 -13.572  -2.769 -26.205
  472    HA   ILE 302           HA       ILE 302 -14.131  -4.899 -28.081
  473    HB   ILE 302           HB       ILE 302 -11.450  -3.866 -27.153
  474   1HG1  ILE 302          1HG1      ILE 302 -13.081  -3.119 -29.592
  475   2HG1  ILE 302          2HG1      ILE 302 -12.808  -2.092 -28.189
  476   1HG2  ILE 302          1HG2      ILE 302 -10.462  -5.139 -28.778
  477   2HG2  ILE 302          2HG2      ILE 302 -11.912  -5.181 -29.781
  478   3HG2  ILE 302          3HG2      ILE 302 -11.809  -6.190 -28.339
  479   1HD1  ILE 302          1HD1      ILE 302 -10.261  -2.771 -28.989
  480   2HD1  ILE 302          2HD1      ILE 302 -11.094  -1.253 -29.325
  481   3HD1  ILE 302          3HD1      ILE 302 -11.136  -2.563 -30.507
  482    HA   PRO 303           HA       PRO 303 -13.885  -8.130 -25.010
  483   1HB   PRO 303          1HB       PRO 303 -13.363  -9.839 -27.372
  484   2HB   PRO 303          2HB       PRO 303 -14.630  -9.969 -26.149
  485   1HG   PRO 303          1HG       PRO 303 -15.189  -9.129 -28.619
  486   2HG   PRO 303          2HG       PRO 303 -15.992  -8.420 -27.204
  487   1HD   PRO 303          1HD       PRO 303 -13.741  -7.331 -28.852
  488   2HD   PRO 303          2HD       PRO 303 -15.144  -6.487 -28.164
  489    H    GLY 304           H        GLY 304 -11.980  -7.871 -23.914
  490   1HA   GLY 304          1HA       GLY 304  -9.937  -9.432 -23.762
  491   2HA   GLY 304          2HA       GLY 304  -9.494  -8.667 -25.281
  492    H    ILE 305           H        ILE 305 -10.547  -6.054 -24.431
  493    HA   ILE 305           HA       ILE 305  -8.247  -5.250 -22.814
  494    HB   ILE 305           HB       ILE 305  -9.966  -3.100 -23.794
  495   1HG1  ILE 305          1HG1      ILE 305  -8.675  -4.987 -25.780
  496   2HG1  ILE 305          2HG1      ILE 305 -10.392  -4.626 -25.637
  497   1HG2  ILE 305          1HG2      ILE 305  -7.229  -3.282 -24.782
  498   2HG2  ILE 305          2HG2      ILE 305  -7.352  -3.434 -23.029
  499   3HG2  ILE 305          3HG2      ILE 305  -8.014  -2.014 -23.839
  500   1HD1  ILE 305          1HD1      ILE 305  -8.811  -2.236 -26.045
  501   2HD1  ILE 305          2HD1      ILE 305 -10.207  -2.838 -26.937
  502   3HD1  ILE 305          3HD1      ILE 305  -8.590  -3.416 -27.335
  503    H    GLY 306           H        GLY 306  -9.213  -2.856 -21.792
  504   1HA   GLY 306          1HA       GLY 306 -11.646  -3.291 -20.324
  505   2HA   GLY 306          2HA       GLY 306 -10.209  -3.518 -19.340
  506    H    LYS 307           H        LYS 307 -11.244  -1.720 -18.133
  507    HA   LYS 307           HA       LYS 307 -11.337   0.889 -19.275
  508   1HB   LYS 307          1HB       LYS 307 -11.535  -0.208 -16.493
  509   2HB   LYS 307          2HB       LYS 307 -11.371   1.526 -16.741
  510   1HG   LYS 307          1HG       LYS 307 -13.418   0.354 -18.431
  511   2HG   LYS 307          2HG       LYS 307 -13.721   0.095 -16.712
  512   1HD   LYS 307          1HD       LYS 307 -14.670   2.142 -16.860
  513   2HD   LYS 307          2HD       LYS 307 -13.002   2.688 -16.674
  514   1HE   LYS 307          1HE       LYS 307 -13.427   3.851 -18.552
  515   2HE   LYS 307          2HE       LYS 307 -13.112   2.310 -19.350
  516   1HZ   LYS 307          1HZ       LYS 307 -15.613   1.923 -19.004
  517   2HZ   LYS 307          2HZ       LYS 307 -15.125   2.972 -20.238
  518   3HZ   LYS 307          3HZ       LYS 307 -15.702   3.597 -18.777
  519    H    ARG 308           H        ARG 308  -9.067  -0.727 -17.063
  520    HA   ARG 308           HA       ARG 308  -7.289   1.428 -16.789
  521   1HB   ARG 308          1HB       ARG 308  -7.435  -0.807 -15.471
  522   2HB   ARG 308          2HB       ARG 308  -6.376  -1.433 -16.728
  523   1HG   ARG 308          1HG       ARG 308  -4.586  -0.247 -16.008
  524   2HG   ARG 308          2HG       ARG 308  -5.569   1.100 -15.430
  525   1HD   ARG 308          1HD       ARG 308  -5.988  -1.414 -13.984
  526   2HD   ARG 308          2HD       ARG 308  -4.357  -0.759 -13.841
  527    HE   ARG 308           HE       ARG 308  -5.232   1.132 -12.761
  528   1HH1  ARG 308          1HH1      ARG 308  -7.713  -1.158 -13.627
  529   2HH1  ARG 308          2HH1      ARG 308  -8.899  -0.466 -12.571
  530   1HH2  ARG 308          1HH2      ARG 308  -6.786   2.049 -11.370
  531   2HH2  ARG 308          2HH2      ARG 308  -8.372   1.355 -11.288
  532    H    MET 309           H        MET 309  -7.340  -1.292 -19.065
  533    HA   MET 309           HA       MET 309  -4.935  -0.554 -20.391
  534   1HB   MET 309          1HB       MET 309  -6.713  -2.724 -20.488
  535   2HB   MET 309          2HB       MET 309  -6.764  -2.010 -22.093
  536   1HG   MET 309          1HG       MET 309  -5.095  -3.763 -21.969
  537   2HG   MET 309          2HG       MET 309  -4.348  -2.197 -22.275
  538   1HE   MET 309          1HE       MET 309  -4.764  -3.775 -18.071
  539   2HE   MET 309          2HE       MET 309  -4.463  -5.113 -19.180
  540   3HE   MET 309          3HE       MET 309  -5.842  -4.046 -19.441
  541    H    ALA 310           H        ALA 310  -8.303   0.300 -20.776
  542    HA   ALA 310           HA       ALA 310  -8.279   1.363 -23.348
  543   1HB   ALA 310          1HB       ALA 310 -10.412   1.468 -22.670
  544   2HB   ALA 310          2HB       ALA 310  -9.975   3.046 -22.014
  545   3HB   ALA 310          3HB       ALA 310  -9.962   1.623 -20.972
  546    H    GLU 311           H        GLU 311  -7.365   2.815 -20.262
  547    HA   GLU 311           HA       GLU 311  -6.796   5.395 -21.338
  548   1HB   GLU 311          1HB       GLU 311  -5.655   4.250 -18.793
  549   2HB   GLU 311          2HB       GLU 311  -5.947   5.938 -19.182
  550   1HG   GLU 311          1HG       GLU 311  -8.444   4.828 -19.405
  551   2HG   GLU 311          2HG       GLU 311  -7.734   3.936 -18.059
  552    H    LYS 312           H        LYS 312  -5.013   2.434 -20.898
  553    HA   LYS 312           HA       LYS 312  -2.404   3.472 -21.182
  554   1HB   LYS 312          1HB       LYS 312  -2.994   1.192 -20.317
  555   2HB   LYS 312          2HB       LYS 312  -3.357   0.716 -21.968
  556   1HG   LYS 312          1HG       LYS 312  -1.189  -0.062 -21.577
  557   2HG   LYS 312          2HG       LYS 312  -0.975   1.410 -22.527
  558   1HD   LYS 312          1HD       LYS 312   0.601   1.685 -20.858
  559   2HD   LYS 312          2HD       LYS 312  -0.783   2.561 -20.200
  560   1HE   LYS 312          1HE       LYS 312   0.132   1.207 -18.456
  561   2HE   LYS 312          2HE       LYS 312  -1.404   0.499 -18.947
  562   1HZ   LYS 312          1HZ       LYS 312   0.576  -1.049 -18.620
  563   2HZ   LYS 312          2HZ       LYS 312   1.148  -0.447 -20.092
  564   3HZ   LYS 312          3HZ       LYS 312  -0.341  -1.245 -20.028
  565    H    ILE 313           H        ILE 313  -4.769   2.263 -23.515
  566    HA   ILE 313           HA       ILE 313  -3.083   2.387 -25.785
  567    HB   ILE 313           HB       ILE 313  -6.087   2.703 -25.783
  568   1HG1  ILE 313          1HG1      ILE 313  -4.543   0.113 -25.985
  569   2HG1  ILE 313          2HG1      ILE 313  -5.236   0.701 -24.477
  570   1HG2  ILE 313          1HG2      ILE 313  -4.709   3.145 -27.887
  571   2HG2  ILE 313          2HG2      ILE 313  -6.039   1.992 -28.017
  572   3HG2  ILE 313          3HG2      ILE 313  -4.378   1.412 -27.887
  573   1HD1  ILE 313          1HD1      ILE 313  -6.637  -0.229 -26.951
  574   2HD1  ILE 313          2HD1      ILE 313  -7.453   0.770 -25.748
  575   3HD1  ILE 313          3HD1      ILE 313  -6.807  -0.807 -25.293
  576    H    ILE 314           H        ILE 314  -5.170   4.724 -24.195
  577    HA   ILE 314           HA       ILE 314  -5.078   6.717 -26.210
  578    HB   ILE 314           HB       ILE 314  -5.558   6.987 -23.239
  579   1HG1  ILE 314          1HG1      ILE 314  -7.184   5.553 -24.424
  580   2HG1  ILE 314          2HG1      ILE 314  -7.920   7.035 -23.826
  581   1HG2  ILE 314          1HG2      ILE 314  -6.850   9.067 -24.534
  582   2HG2  ILE 314          2HG2      ILE 314  -5.272   8.982 -25.315
  583   3HG2  ILE 314          3HG2      ILE 314  -5.380   9.180 -23.566
  584   1HD1  ILE 314          1HD1      ILE 314  -8.157   6.021 -26.358
  585   2HD1  ILE 314          2HD1      ILE 314  -6.934   7.278 -26.551
  586   3HD1  ILE 314          3HD1      ILE 314  -8.512   7.679 -25.871
  587    H    GLU 315           H        GLU 315  -3.025   5.926 -23.475
  588    HA   GLU 315           HA       GLU 315  -1.469   8.283 -23.473
  589   1HB   GLU 315          1HB       GLU 315  -1.651   6.084 -21.868
  590   2HB   GLU 315          2HB       GLU 315  -0.107   5.806 -22.660
  591   1HG   GLU 315          1HG       GLU 315   0.895   7.558 -21.633
  592   2HG   GLU 315          2HG       GLU 315  -0.587   8.511 -21.566
  593    H    ILE 316           H        ILE 316  -0.934   5.089 -24.933
  594    HA   ILE 316           HA       ILE 316   1.544   5.661 -26.123
  595    HB   ILE 316           HB       ILE 316  -0.520   3.757 -27.225
  596   1HG1  ILE 316          1HG1      ILE 316   1.601   2.937 -25.271
  597   2HG1  ILE 316          2HG1      ILE 316   0.085   3.610 -24.679
  598   1HG2  ILE 316          1HG2      ILE 316   2.482   3.885 -27.402
  599   2HG2  ILE 316          2HG2      ILE 316   1.315   4.030 -28.717
  600   3HG2  ILE 316          3HG2      ILE 316   1.531   2.485 -27.895
  601   1HD1  ILE 316          1HD1      ILE 316  -0.365   1.552 -26.655
  602   2HD1  ILE 316          2HD1      ILE 316  -0.980   1.696 -25.008
  603   3HD1  ILE 316          3HD1      ILE 316   0.599   0.967 -25.298
  604    H    LEU 317           H        LEU 317  -1.678   6.522 -26.986
  605    HA   LEU 317           HA       LEU 317  -1.169   7.046 -29.746
  606   1HB   LEU 317          1HB       LEU 317  -3.394   7.633 -27.852
  607   2HB   LEU 317          2HB       LEU 317  -3.351   8.452 -29.400
  608    HG   LEU 317           HG       LEU 317  -3.184   5.460 -29.245
  609   1HD1  LEU 317          1HD1      LEU 317  -5.787   5.946 -29.878
  610   2HD1  LEU 317          2HD1      LEU 317  -5.489   7.160 -28.634
  611   3HD1  LEU 317          3HD1      LEU 317  -5.208   5.454 -28.286
  612   1HD2  LEU 317          1HD2      LEU 317  -4.159   7.396 -31.343
  613   2HD2  LEU 317          2HD2      LEU 317  -4.173   5.638 -31.487
  614   3HD2  LEU 317          3HD2      LEU 317  -2.640   6.501 -31.367
  615    H    GLU 318           H        GLU 318  -1.378   9.034 -26.827
  616    HA   GLU 318           HA       GLU 318  -0.665  11.130 -26.332
  617   1HB   GLU 318          1HB       GLU 318   1.254  10.074 -28.265
  618   2HB   GLU 318          2HB       GLU 318   1.225  11.831 -28.195
  619   1HG   GLU 318          1HG       GLU 318   1.311  11.342 -25.589
  620   2HG   GLU 318          2HG       GLU 318   2.071   9.856 -26.156
  621    H    SER 319           H        SER 319  -2.522  10.483 -28.832
  622    HA   SER 319           HA       SER 319  -2.641  13.280 -29.752
  623   1HB   SER 319          1HB       SER 319  -1.971  11.659 -31.531
  624   2HB   SER 319          2HB       SER 319  -3.511  10.832 -31.305
  625    HG   SER 319           HG       SER 319  -3.767  12.270 -32.974
  626    H    GLY 320           H        GLY 320  -4.698  14.216 -30.013
  627   1HA   GLY 320          1HA       GLY 320  -6.972  14.478 -29.675
  628   2HA   GLY 320          2HA       GLY 320  -7.090  12.748 -29.389
  629    H    HIS 321           H        HIS 321  -4.830  14.691 -27.606
  630    HA   HIS 321           HA       HIS 321  -6.083  13.947 -25.123
  631   1HB   HIS 321          1HB       HIS 321  -4.180  15.313 -24.135
  632   2HB   HIS 321          2HB       HIS 321  -3.710  13.921 -25.105
  633    HD1  HIS 321           HD1      HIS 321  -2.408  14.365 -27.255
  634    HD2  HIS 321           HD2      HIS 321  -3.617  17.830 -25.308
  635    HE1  HIS 321           HE1      HIS 321  -1.172  16.237 -28.389
  636    HE2  HIS 321           HE2      HIS 321  -2.020  18.334 -27.279
  637    H    LEU 322           H        LEU 322  -7.076  16.085 -27.221
  638    HA   LEU 322           HA       LEU 322  -7.321  18.445 -25.577
  639   1HB   LEU 322          1HB       LEU 322  -7.440  17.925 -28.299
  640   2HB   LEU 322          2HB       LEU 322  -9.100  18.298 -27.875
  641    HG   LEU 322           HG       LEU 322  -7.560  20.280 -26.627
  642   1HD1  LEU 322          1HD1      LEU 322  -6.615  21.106 -29.006
  643   2HD1  LEU 322          2HD1      LEU 322  -6.362  19.367 -29.158
  644   3HD1  LEU 322          3HD1      LEU 322  -5.644  20.249 -27.810
  645   1HD2  LEU 322          1HD2      LEU 322  -9.838  20.391 -27.692
  646   2HD2  LEU 322          2HD2      LEU 322  -9.019  20.516 -29.249
  647   3HD2  LEU 322          3HD2      LEU 322  -8.778  21.762 -28.023
  648    H    ARG 323           H        ARG 323  -8.328  16.941 -23.869
  649    HA   ARG 323           HA       ARG 323 -11.143  16.371 -24.298
  650   1HB   ARG 323          1HB       ARG 323  -9.261  15.094 -22.841
  651   2HB   ARG 323          2HB       ARG 323  -9.974  16.104 -21.591
  652   1HG   ARG 323          1HG       ARG 323 -12.153  15.165 -22.012
  653   2HG   ARG 323          2HG       ARG 323 -11.521  14.235 -23.373
  654   1HD   ARG 323          1HD       ARG 323 -11.726  12.795 -21.453
  655   2HD   ARG 323          2HD       ARG 323 -10.019  13.045 -21.813
  656    HE   ARG 323           HE       ARG 323  -9.883  14.496 -19.914
  657   1HH1  ARG 323          1HH1      ARG 323 -12.886  12.750 -20.213
  658   2HH1  ARG 323          2HH1      ARG 323 -13.312  12.943 -18.545
  659   1HH2  ARG 323          1HH2      ARG 323 -10.438  14.755 -17.718
  660   2HH2  ARG 323          2HH2      ARG 323 -11.921  14.082 -17.127
  661    H    LYS 324           H        LYS 324 -12.755  17.099 -22.683
  662    HA   LYS 324           HA       LYS 324 -12.243  19.899 -21.938
  663   1HB   LYS 324          1HB       LYS 324 -14.702  18.435 -22.819
  664   2HB   LYS 324          2HB       LYS 324 -14.862  19.877 -21.825
  665   1HG   LYS 324          1HG       LYS 324 -14.476  21.213 -23.554
  666   2HG   LYS 324          2HG       LYS 324 -13.038  20.306 -24.025
  667   1HD   LYS 324          1HD       LYS 324 -15.344  18.745 -24.633
  668   2HD   LYS 324          2HD       LYS 324 -15.572  20.367 -25.289
  669   1HE   LYS 324          1HE       LYS 324 -13.796  20.184 -26.724
  670   2HE   LYS 324          2HE       LYS 324 -12.944  19.034 -25.695
  671   1HZ   LYS 324          1HZ       LYS 324 -13.635  17.620 -27.296
  672   2HZ   LYS 324          2HZ       LYS 324 -14.974  18.557 -27.730
  673   3HZ   LYS 324          3HZ       LYS 324 -15.040  17.575 -26.355
  674    H    LEU 325           H        LEU 325 -11.854  20.208 -19.859
  675    HA   LEU 325           HA       LEU 325 -12.862  18.310 -17.883
  676   1HB   LEU 325          1HB       LEU 325 -10.545  19.989 -18.129
  677   2HB   LEU 325          2HB       LEU 325 -11.380  20.361 -16.633
  678    HG   LEU 325           HG       LEU 325 -11.298  17.929 -16.053
  679   1HD1  LEU 325          1HD1      LEU 325 -10.661  16.410 -17.534
  680   2HD1  LEU 325          2HD1      LEU 325  -9.115  17.228 -17.760
  681   3HD1  LEU 325          3HD1      LEU 325 -10.507  17.687 -18.741
  682   1HD2  LEU 325          1HD2      LEU 325  -9.118  18.027 -15.205
  683   2HD2  LEU 325          2HD2      LEU 325  -9.605  19.715 -15.360
  684   3HD2  LEU 325          3HD2      LEU 325  -8.538  18.992 -16.564
  685    H    ASP 326           H        ASP 326 -14.690  18.690 -16.839
  686    HA   ASP 326           HA       ASP 326 -15.941  21.291 -16.937
  687   1HB   ASP 326          1HB       ASP 326 -16.830  18.621 -16.669
  688   2HB   ASP 326          2HB       ASP 326 -17.303  19.455 -15.192
  689    H    HIS 327           H        HIS 327 -16.612  22.500 -15.103
  690    HA   HIS 327           HA       HIS 327 -14.749  22.267 -12.857
  691   1HB   HIS 327          1HB       HIS 327 -16.630  24.572 -13.159
  692   2HB   HIS 327          2HB       HIS 327 -14.993  24.542 -12.514
  693    HD1  HIS 327           HD1      HIS 327 -16.760  25.784 -15.295
  694    HD2  HIS 327           HD2      HIS 327 -13.093  23.883 -14.835
  695    HE1  HIS 327           HE1      HIS 327 -15.446  26.346 -17.363
  696    HE2  HIS 327           HE2      HIS 327 -13.211  25.229 -17.039
  Start of MODEL    7
    1    HA   ALA 242           HA       ALA 242  -9.009  -7.656 -57.986
    2   1HB   ALA 242          1HB       ALA 242  -9.154  -9.672 -59.578
    3   2HB   ALA 242          2HB       ALA 242  -8.189  -8.688 -60.678
    4   3HB   ALA 242          3HB       ALA 242  -9.769  -8.118 -60.139
    5    H    GLN 243           H        GLN 243  -6.252  -7.417 -57.182
    6    HA   GLN 243           HA       GLN 243  -5.898 -10.098 -56.132
    7   1HB   GLN 243          1HB       GLN 243  -4.594 -10.079 -58.242
    8   2HB   GLN 243          2HB       GLN 243  -3.667  -8.715 -57.634
    9   1HG   GLN 243          1HG       GLN 243  -2.278 -10.487 -57.178
   10   2HG   GLN 243          2HG       GLN 243  -3.130 -10.285 -55.647
   11   1HE2  GLN 243          1HE2      GLN 243  -2.785 -12.408 -55.033
   12   2HE2  GLN 243          2HE2      GLN 243  -3.611 -13.734 -55.771
   13    HA   PRO 244           HA       PRO 244  -4.841  -7.483 -52.679
   14   1HB   PRO 244          1HB       PRO 244  -4.381  -9.410 -50.864
   15   2HB   PRO 244          2HB       PRO 244  -6.012  -9.045 -51.441
   16   1HG   PRO 244          1HG       PRO 244  -4.157 -11.244 -52.271
   17   2HG   PRO 244          2HG       PRO 244  -5.896 -11.318 -51.934
   18   1HD   PRO 244          1HD       PRO 244  -4.858 -11.175 -54.455
   19   2HD   PRO 244          2HD       PRO 244  -6.458 -10.541 -54.020
   20    H    SER 245           H        SER 245  -3.048  -7.721 -50.834
   21    HA   SER 245           HA       SER 245  -0.846  -7.459 -50.335
   22   1HB   SER 245          1HB       SER 245  -0.580  -9.795 -52.243
   23   2HB   SER 245          2HB       SER 245   0.702  -9.219 -51.178
   24    HG   SER 245           HG       SER 245  -1.734 -10.466 -50.515
   25    H    SER 246           H        SER 246  -2.023  -6.039 -52.666
   26    HA   SER 246           HA       SER 246   0.515  -5.319 -53.968
   27   1HB   SER 246          1HB       SER 246  -2.075  -6.069 -55.212
   28   2HB   SER 246          2HB       SER 246  -1.221  -4.703 -55.931
   29    HG   SER 246           HG       SER 246  -0.599  -7.383 -55.950
   30    H    GLN 247           H        GLN 247  -2.785  -4.052 -54.269
   31    HA   GLN 247           HA       GLN 247  -1.922  -1.355 -54.078
   32   1HB   GLN 247          1HB       GLN 247  -3.903  -1.914 -55.346
   33   2HB   GLN 247          2HB       GLN 247  -4.676  -2.590 -53.920
   34   1HG   GLN 247          1HG       GLN 247  -5.573  -0.400 -54.465
   35   2HG   GLN 247          2HG       GLN 247  -4.762  -0.387 -52.900
   36   1HE2  GLN 247          1HE2      GLN 247  -4.287   1.756 -52.840
   37   2HE2  GLN 247          2HE2      GLN 247  -3.187   2.528 -53.926
   38    H    LYS 248           H        LYS 248  -0.994  -0.726 -52.212
   39    HA   LYS 248           HA       LYS 248  -2.346  -1.371 -49.685
   40   1HB   LYS 248          1HB       LYS 248   0.463  -0.433 -50.276
   41   2HB   LYS 248          2HB       LYS 248  -0.192  -0.562 -48.649
   42   1HG   LYS 248          1HG       LYS 248  -0.302  -2.933 -50.446
   43   2HG   LYS 248          2HG       LYS 248   1.225  -2.498 -49.676
   44   1HD   LYS 248          1HD       LYS 248   0.074  -2.528 -47.481
   45   2HD   LYS 248          2HD       LYS 248  -1.392  -3.081 -48.292
   46   1HE   LYS 248          1HE       LYS 248   0.162  -4.960 -49.212
   47   2HE   LYS 248          2HE       LYS 248   1.192  -4.518 -47.850
   48   1HZ   LYS 248          1HZ       LYS 248  -1.062  -6.157 -47.832
   49   2HZ   LYS 248          2HZ       LYS 248  -1.460  -4.768 -46.952
   50   3HZ   LYS 248          3HZ       LYS 248  -0.109  -5.687 -46.515
   51    H    ALA 249           H        ALA 249  -3.971   0.288 -50.388
   52    HA   ALA 249           HA       ALA 249  -3.270   3.038 -50.471
   53   1HB   ALA 249          1HB       ALA 249  -5.289   2.509 -51.517
   54   2HB   ALA 249          2HB       ALA 249  -5.782   3.329 -50.036
   55   3HB   ALA 249          3HB       ALA 249  -5.865   1.571 -50.139
   56    H    THR 250           H        THR 250  -4.302   4.622 -48.874
   57    HA   THR 250           HA       THR 250  -3.050   4.540 -46.445
   58    HB   THR 250           HB       THR 250  -5.520   5.885 -46.000
   59    HG1  THR 250           HG1      THR 250  -5.726   7.081 -47.871
   60   1HG2  THR 250          1HG2      THR 250  -2.907   7.089 -46.903
   61   2HG2  THR 250          2HG2      THR 250  -3.179   6.488 -45.266
   62   3HG2  THR 250          3HG2      THR 250  -4.147   7.825 -45.888
   63    H    ASN 251           H        ASN 251  -3.145   2.897 -45.043
   64    HA   ASN 251           HA       ASN 251  -5.790   1.831 -44.311
   65   1HB   ASN 251          1HB       ASN 251  -3.100   0.599 -44.574
   66   2HB   ASN 251          2HB       ASN 251  -4.126  -0.001 -43.275
   67   1HD2  ASN 251          1HD2      ASN 251  -6.606   0.147 -44.406
   68   2HD2  ASN 251          2HD2      ASN 251  -6.702  -0.941 -45.745
   69    H    HIS 252           H        HIS 252  -6.273   1.450 -42.124
   70    HA   HIS 252           HA       HIS 252  -4.502   2.712 -40.153
   71   1HB   HIS 252          1HB       HIS 252  -7.344   3.402 -40.771
   72   2HB   HIS 252          2HB       HIS 252  -6.804   3.487 -39.098
   73    HD1  HIS 252           HD1      HIS 252  -6.668   5.281 -42.309
   74    HD2  HIS 252           HD2      HIS 252  -4.731   5.425 -38.637
   75    HE1  HIS 252           HE1      HIS 252  -5.485   7.500 -42.260
   76    HE2  HIS 252           HE2      HIS 252  -4.275   7.543 -40.050
   77    H    ASN 253           H        ASN 253  -4.202   0.218 -40.120
   78    HA   ASN 253           HA       ASN 253  -5.732  -0.759 -37.852
   79   1HB   ASN 253          1HB       ASN 253  -6.062  -2.991 -39.027
   80   2HB   ASN 253          2HB       ASN 253  -7.088  -1.669 -39.573
   81   1HD2  ASN 253          1HD2      ASN 253  -7.239  -1.419 -41.673
   82   2HD2  ASN 253          2HD2      ASN 253  -6.090  -1.946 -42.850
   83    H    LEU 254           H        LEU 254  -2.895  -0.001 -38.699
   84    HA   LEU 254           HA       LEU 254  -1.609  -2.346 -37.524
   85   1HB   LEU 254          1HB       LEU 254  -0.646  -0.820 -39.939
   86   2HB   LEU 254          2HB       LEU 254   0.259  -2.057 -39.103
   87    HG   LEU 254           HG       LEU 254  -2.434  -2.738 -40.178
   88   1HD1  LEU 254          1HD1      LEU 254  -0.984  -3.504 -42.248
   89   2HD1  LEU 254          2HD1      LEU 254  -0.005  -2.116 -41.771
   90   3HD1  LEU 254          3HD1      LEU 254  -1.709  -1.898 -42.170
   91   1HD2  LEU 254          1HD2      LEU 254   0.136  -4.305 -39.977
   92   2HD2  LEU 254          2HD2      LEU 254  -1.456  -4.932 -40.404
   93   3HD2  LEU 254          3HD2      LEU 254  -1.156  -4.324 -38.776
   94    H    HIS 255           H        HIS 255  -2.392   0.525 -36.743
   95    HA   HIS 255           HA       HIS 255   0.228   1.670 -36.206
   96   1HB   HIS 255          1HB       HIS 255  -1.740   3.053 -36.980
   97   2HB   HIS 255          2HB       HIS 255  -2.458   2.786 -35.395
   98    HD1  HIS 255           HD1      HIS 255   1.074   3.808 -36.399
   99    HD2  HIS 255           HD2      HIS 255  -2.088   5.085 -34.026
  100    HE1  HIS 255           HE1      HIS 255   1.903   5.874 -35.230
  101    HE2  HIS 255           HE2      HIS 255   0.000   6.584 -33.739
  102    H    ILE 256           H        ILE 256  -2.675   1.143 -34.191
  103    HA   ILE 256           HA       ILE 256  -1.265   1.280 -31.749
  104    HB   ILE 256           HB       ILE 256  -3.866  -0.187 -32.155
  105   1HG1  ILE 256          1HG1      ILE 256  -4.010   2.020 -33.233
  106   2HG1  ILE 256          2HG1      ILE 256  -5.014   1.946 -31.790
  107   1HG2  ILE 256          1HG2      ILE 256  -4.275   0.194 -29.889
  108   2HG2  ILE 256          2HG2      ILE 256  -3.030   1.438 -29.778
  109   3HG2  ILE 256          3HG2      ILE 256  -2.571  -0.257 -29.950
  110   1HD1  ILE 256          1HD1      ILE 256  -2.613   3.565 -32.353
  111   2HD1  ILE 256          2HD1      ILE 256  -2.798   2.959 -30.707
  112   3HD1  ILE 256          3HD1      ILE 256  -4.062   3.956 -31.426
  113    H    THR 257           H        THR 257  -1.960  -1.386 -33.909
  114    HA   THR 257           HA       THR 257  -1.450  -3.498 -32.130
  115    HB   THR 257           HB       THR 257  -1.982  -3.224 -34.902
  116    HG1  THR 257           HG1      THR 257  -2.874  -5.231 -34.565
  117   1HG2  THR 257          1HG2      THR 257   0.271  -3.753 -35.466
  118   2HG2  THR 257          2HG2      THR 257  -0.670  -5.227 -35.693
  119   3HG2  THR 257          3HG2      THR 257   0.335  -5.034 -34.256
  120    H    GLU 258           H        GLU 258   0.681  -1.542 -34.128
  121    HA   GLU 258           HA       GLU 258   2.989  -3.135 -33.751
  122   1HB   GLU 258          1HB       GLU 258   2.677  -0.236 -34.530
  123   2HB   GLU 258          2HB       GLU 258   4.221  -1.076 -34.505
  124   1HG   GLU 258          1HG       GLU 258   1.853  -1.622 -36.262
  125   2HG   GLU 258          2HG       GLU 258   3.454  -1.064 -36.741
  126    H    LYS 259           H        LYS 259   2.018  -0.033 -32.320
  127    HA   LYS 259           HA       LYS 259   4.113   0.252 -30.522
  128   1HB   LYS 259          1HB       LYS 259   1.318   1.290 -30.668
  129   2HB   LYS 259          2HB       LYS 259   2.243   1.570 -29.202
  130   1HG   LYS 259          1HG       LYS 259   2.706   3.468 -30.406
  131   2HG   LYS 259          2HG       LYS 259   4.066   2.435 -30.850
  132   1HD   LYS 259          1HD       LYS 259   2.565   1.697 -32.817
  133   2HD   LYS 259          2HD       LYS 259   1.640   3.155 -32.455
  134   1HE   LYS 259          1HE       LYS 259   4.611   3.165 -32.931
  135   2HE   LYS 259          2HE       LYS 259   3.431   3.386 -34.221
  136   1HZ   LYS 259          1HZ       LYS 259   2.687   5.382 -33.280
  137   2HZ   LYS 259          2HZ       LYS 259   4.372   5.463 -33.167
  138   3HZ   LYS 259          3HZ       LYS 259   3.451   5.087 -31.799
  139    H    LEU 260           H        LEU 260   0.941  -1.279 -30.027
  140    HA   LEU 260           HA       LEU 260   1.338  -1.919 -27.307
  141   1HB   LEU 260          1HB       LEU 260  -0.695  -2.247 -29.236
  142   2HB   LEU 260          2HB       LEU 260  -0.356  -3.842 -28.597
  143    HG   LEU 260           HG       LEU 260  -0.539  -2.000 -26.420
  144   1HD1  LEU 260          1HD1      LEU 260  -2.604  -1.717 -28.544
  145   2HD1  LEU 260          2HD1      LEU 260  -1.919  -0.501 -27.466
  146   3HD1  LEU 260          3HD1      LEU 260  -3.102  -1.657 -26.853
  147   1HD2  LEU 260          1HD2      LEU 260  -2.773  -3.645 -26.407
  148   2HD2  LEU 260          2HD2      LEU 260  -1.218  -3.972 -25.642
  149   3HD2  LEU 260          3HD2      LEU 260  -1.546  -4.576 -27.265
  150    H    GLU 261           H        GLU 261   2.439  -3.394 -30.235
  151    HA   GLU 261           HA       GLU 261   3.082  -5.924 -28.990
  152   1HB   GLU 261          1HB       GLU 261   3.141  -4.773 -31.712
  153   2HB   GLU 261          2HB       GLU 261   4.391  -5.953 -31.362
  154   1HG   GLU 261          1HG       GLU 261   1.857  -6.907 -30.426
  155   2HG   GLU 261          2HG       GLU 261   1.743  -6.425 -32.116
  156    H    VAL 262           H        VAL 262   4.536  -2.886 -29.734
  157    HA   VAL 262           HA       VAL 262   7.242  -3.530 -29.590
  158    HB   VAL 262           HB       VAL 262   5.522  -1.244 -29.786
  159   1HG1  VAL 262          1HG1      VAL 262   7.098   0.389 -28.710
  160   2HG1  VAL 262          2HG1      VAL 262   7.775  -0.987 -27.835
  161   3HG1  VAL 262          3HG1      VAL 262   6.073  -0.563 -27.636
  162   1HG2  VAL 262          1HG2      VAL 262   7.035  -1.938 -31.482
  163   2HG2  VAL 262          2HG2      VAL 262   8.422  -1.681 -30.420
  164   3HG2  VAL 262          3HG2      VAL 262   7.453  -0.307 -30.959
  165    H    LEU 263           H        LEU 263   4.783  -2.904 -27.203
  166    HA   LEU 263           HA       LEU 263   6.579  -2.593 -24.984
  167   1HB   LEU 263          1HB       LEU 263   3.666  -2.596 -25.440
  168   2HB   LEU 263          2HB       LEU 263   4.186  -3.149 -23.864
  169    HG   LEU 263           HG       LEU 263   5.525  -0.728 -24.604
  170   1HD1  LEU 263          1HD1      LEU 263   2.997   0.272 -23.958
  171   2HD1  LEU 263          2HD1      LEU 263   2.741  -0.883 -25.265
  172   3HD1  LEU 263          3HD1      LEU 263   3.866   0.458 -25.481
  173   1HD2  LEU 263          1HD2      LEU 263   4.664  -0.037 -22.389
  174   2HD2  LEU 263          2HD2      LEU 263   5.532  -1.572 -22.368
  175   3HD2  LEU 263          3HD2      LEU 263   3.769  -1.556 -22.314
  176    H    ALA 264           H        ALA 264   4.231  -5.103 -25.938
  177    HA   ALA 264           HA       ALA 264   4.835  -6.958 -23.958
  178   1HB   ALA 264          1HB       ALA 264   3.075  -6.855 -26.024
  179   2HB   ALA 264          2HB       ALA 264   3.353  -8.272 -25.013
  180   3HB   ALA 264          3HB       ALA 264   4.175  -8.122 -26.567
  181    H    LYS 265           H        LYS 265   6.356  -6.436 -27.103
  182    HA   LYS 265           HA       LYS 265   7.993  -8.717 -27.127
  183   1HB   LYS 265          1HB       LYS 265   7.596  -7.306 -29.106
  184   2HB   LYS 265          2HB       LYS 265   8.514  -6.006 -28.361
  185   1HG   LYS 265          1HG       LYS 265  10.296  -8.060 -28.254
  186   2HG   LYS 265          2HG       LYS 265   9.435  -8.403 -29.754
  187   1HD   LYS 265          1HD       LYS 265   9.814  -5.793 -30.100
  188   2HD   LYS 265          2HD       LYS 265  11.193  -6.121 -29.049
  189   1HE   LYS 265          1HE       LYS 265  11.816  -6.314 -31.398
  190   2HE   LYS 265          2HE       LYS 265  11.944  -7.871 -30.579
  191   1HZ   LYS 265          1HZ       LYS 265   9.475  -7.164 -32.018
  192   2HZ   LYS 265          2HZ       LYS 265  10.105  -8.694 -31.669
  193   3HZ   LYS 265          3HZ       LYS 265  10.814  -7.744 -32.876
  194    H    ALA 266           H        ALA 266   8.607  -5.423 -25.961
  195    HA   ALA 266           HA       ALA 266  11.267  -5.815 -25.165
  196   1HB   ALA 266          1HB       ALA 266  11.126  -3.742 -24.108
  197   2HB   ALA 266          2HB       ALA 266   9.411  -3.938 -23.744
  198   3HB   ALA 266          3HB       ALA 266   9.931  -3.629 -25.401
  199    H    TYR 267           H        TYR 267   8.214  -6.250 -23.433
  200    HA   TYR 267           HA       TYR 267   9.301  -6.796 -20.900
  201   1HB   TYR 267          1HB       TYR 267   6.691  -7.523 -22.215
  202   2HB   TYR 267          2HB       TYR 267   7.077  -8.069 -20.588
  203    HD1  TYR 267           HD1      TYR 267   5.215  -5.763 -22.213
  204    HD2  TYR 267           HD2      TYR 267   8.207  -5.911 -19.192
  205    HE1  TYR 267           HE1      TYR 267   4.398  -3.627 -21.310
  206    HE2  TYR 267           HE2      TYR 267   7.397  -3.776 -18.279
  207    HH   TYR 267           HH       TYR 267   6.076  -1.708 -19.323
  208    H    SER 268           H        SER 268   8.732  -8.816 -23.711
  209    HA   SER 268           HA       SER 268   9.176 -11.307 -22.420
  210   1HB   SER 268          1HB       SER 268   7.993 -11.247 -24.534
  211   2HB   SER 268          2HB       SER 268   9.386 -10.519 -25.335
  212    HG   SER 268           HG       SER 268   9.393 -12.715 -25.752
  213    H    VAL 269           H        VAL 269  11.265  -8.958 -23.985
  214    HA   VAL 269           HA       VAL 269  13.579 -10.646 -24.003
  215    HB   VAL 269           HB       VAL 269  13.555  -7.633 -24.158
  216   1HG1  VAL 269          1HG1      VAL 269  15.511  -8.589 -25.824
  217   2HG1  VAL 269          2HG1      VAL 269  15.574  -9.717 -24.470
  218   3HG1  VAL 269          3HG1      VAL 269  15.764  -7.986 -24.187
  219   1HG2  VAL 269          1HG2      VAL 269  13.165  -7.721 -26.460
  220   2HG2  VAL 269          2HG2      VAL 269  11.993  -8.853 -25.785
  221   3HG2  VAL 269          3HG2      VAL 269  13.469  -9.457 -26.539
  222    H    GLN 270           H        GLN 270  12.121  -8.464 -21.721
  223    HA   GLN 270           HA       GLN 270  14.484  -8.248 -20.074
  224   1HB   GLN 270          1HB       GLN 270  11.758  -7.120 -20.068
  225   2HB   GLN 270          2HB       GLN 270  12.477  -7.359 -18.483
  226   1HG   GLN 270          1HG       GLN 270  13.661  -5.516 -18.714
  227   2HG   GLN 270          2HG       GLN 270  14.413  -6.163 -20.171
  228   1HE2  GLN 270          1HE2      GLN 270  14.468  -4.230 -21.252
  229   2HE2  GLN 270          2HE2      GLN 270  13.048  -3.429 -21.827
  230    H    GLY 271           H        GLY 271  12.137 -10.596 -20.531
  231   1HA   GLY 271          1HA       GLY 271  12.358 -12.702 -19.392
  232   2HA   GLY 271          2HA       GLY 271  12.848 -11.826 -17.951
  233    H    ASP 272           H        ASP 272  10.461  -9.961 -18.916
  234    HA   ASP 272           HA       ASP 272   8.603 -10.945 -17.011
  235   1HB   ASP 272          1HB       ASP 272   8.899  -8.600 -18.689
  236   2HB   ASP 272          2HB       ASP 272   7.226  -9.153 -18.662
  237    H    LYS 273           H        LYS 273   7.957 -13.019 -17.560
  238    HA   LYS 273           HA       LYS 273   6.804 -13.531 -20.166
  239   1HB   LYS 273          1HB       LYS 273   7.108 -15.723 -19.709
  240   2HB   LYS 273          2HB       LYS 273   8.154 -15.119 -18.434
  241   1HG   LYS 273          1HG       LYS 273   5.754 -15.123 -17.174
  242   2HG   LYS 273          2HG       LYS 273   5.571 -16.494 -18.268
  243   1HD   LYS 273          1HD       LYS 273   6.526 -17.524 -16.451
  244   2HD   LYS 273          2HD       LYS 273   7.966 -17.110 -17.385
  245   1HE   LYS 273          1HE       LYS 273   8.677 -15.617 -15.861
  246   2HE   LYS 273          2HE       LYS 273   7.050 -15.014 -15.549
  247   1HZ   LYS 273          1HZ       LYS 273   8.574 -16.971 -14.116
  248   2HZ   LYS 273          2HZ       LYS 273   7.023 -17.521 -14.500
  249   3HZ   LYS 273          3HZ       LYS 273   7.217 -16.088 -13.622
  250    H    TRP 274           H        TRP 274   5.723 -12.940 -16.894
  251    HA   TRP 274           HA       TRP 274   3.012 -13.714 -17.308
  252   1HB   TRP 274          1HB       TRP 274   4.440 -13.296 -15.098
  253   2HB   TRP 274          2HB       TRP 274   3.680 -11.720 -15.236
  254    HD1  TRP 274           HD1      TRP 274   0.809 -12.017 -15.696
  255    HE1  TRP 274           HE1      TRP 274  -0.773 -13.465 -14.273
  256    HE3  TRP 274           HE3      TRP 274   4.248 -15.178 -13.616
  257    HZ2  TRP 274           HZ2      TRP 274  -0.588 -15.655 -12.503
  258    HZ3  TRP 274           HZ3      TRP 274   3.463 -16.922 -12.070
  259    HH2  TRP 274           HH2      TRP 274   1.095 -17.154 -11.524
  260    H    ARG 275           H        ARG 275   4.607 -10.549 -17.075
  261    HA   ARG 275           HA       ARG 275   2.353  -8.979 -17.584
  262   1HB   ARG 275          1HB       ARG 275   5.300  -8.561 -17.863
  263   2HB   ARG 275          2HB       ARG 275   4.201  -7.359 -18.529
  264   1HG   ARG 275          1HG       ARG 275   3.570  -8.161 -15.788
  265   2HG   ARG 275          2HG       ARG 275   5.149  -7.397 -15.973
  266   1HD   ARG 275          1HD       ARG 275   4.052  -5.524 -17.164
  267   2HD   ARG 275          2HD       ARG 275   2.489  -6.274 -16.838
  268    HE   ARG 275           HE       ARG 275   3.724  -6.027 -14.391
  269   1HH1  ARG 275          1HH1      ARG 275   2.717  -3.869 -16.938
  270   2HH1  ARG 275          2HH1      ARG 275   2.439  -2.534 -15.870
  271   1HH2  ARG 275          1HH2      ARG 275   3.358  -4.275 -12.982
  272   2HH2  ARG 275          2HH2      ARG 275   2.803  -2.764 -13.623
  273    H    ALA 276           H        ALA 276   4.897 -10.026 -19.845
  274    HA   ALA 276           HA       ALA 276   3.750  -8.928 -22.142
  275   1HB   ALA 276          1HB       ALA 276   6.014 -10.500 -21.515
  276   2HB   ALA 276          2HB       ALA 276   5.680  -9.605 -22.997
  277   3HB   ALA 276          3HB       ALA 276   5.174 -11.287 -22.851
  278    H    LEU 277           H        LEU 277   2.953 -11.790 -20.378
  279    HA   LEU 277           HA       LEU 277   1.709 -13.257 -22.444
  280   1HB   LEU 277          1HB       LEU 277   1.768 -14.731 -20.775
  281   2HB   LEU 277          2HB       LEU 277   2.054 -13.465 -19.600
  282    HG   LEU 277           HG       LEU 277  -0.577 -13.143 -19.859
  283   1HD1  LEU 277          1HD1      LEU 277  -0.010 -15.671 -21.171
  284   2HD1  LEU 277          2HD1      LEU 277  -1.491 -14.714 -21.146
  285   3HD1  LEU 277          3HD1      LEU 277  -1.148 -15.840 -19.834
  286   1HD2  LEU 277          1HD2      LEU 277  -0.206 -13.574 -17.707
  287   2HD2  LEU 277          2HD2      LEU 277   1.176 -14.605 -18.075
  288   3HD2  LEU 277          3HD2      LEU 277  -0.455 -15.277 -18.096
  289    H    GLY 278           H        GLY 278   0.393 -10.997 -20.028
  290   1HA   GLY 278          1HA       GLY 278  -2.266 -11.149 -21.104
  291   2HA   GLY 278          2HA       GLY 278  -1.701 -10.022 -19.881
  292    H    TYR 279           H        TYR 279   0.474  -8.979 -21.484
  293    HA   TYR 279           HA       TYR 279  -0.877  -6.880 -22.778
  294   1HB   TYR 279          1HB       TYR 279   1.907  -7.695 -22.356
  295   2HB   TYR 279          2HB       TYR 279   1.649  -6.830 -23.868
  296    HD1  TYR 279           HD1      TYR 279   1.013  -6.593 -20.206
  297    HD2  TYR 279           HD2      TYR 279   1.524  -4.500 -23.875
  298    HE1  TYR 279           HE1      TYR 279   1.028  -4.461 -18.981
  299    HE2  TYR 279           HE2      TYR 279   1.543  -2.363 -22.659
  300    HH   TYR 279           HH       TYR 279   1.795  -1.438 -20.563
  301    H    ALA 280           H        ALA 280   0.773  -9.752 -24.039
  302    HA   ALA 280           HA       ALA 280   0.411  -9.192 -26.775
  303   1HB   ALA 280          1HB       ALA 280   0.394 -12.014 -25.828
  304   2HB   ALA 280          2HB       ALA 280   1.826 -11.035 -25.513
  305   3HB   ALA 280          3HB       ALA 280   1.271 -11.278 -27.170
  306    H    LYS 281           H        LYS 281  -1.609 -10.767 -24.371
  307    HA   LYS 281           HA       LYS 281  -3.570 -11.845 -26.048
  308   1HB   LYS 281          1HB       LYS 281  -3.219 -12.097 -23.492
  309   2HB   LYS 281          2HB       LYS 281  -4.206 -10.648 -23.362
  310   1HG   LYS 281          1HG       LYS 281  -5.226 -12.929 -24.976
  311   2HG   LYS 281          2HG       LYS 281  -5.267 -13.041 -23.216
  312   1HD   LYS 281          1HD       LYS 281  -6.350 -10.651 -24.673
  313   2HD   LYS 281          2HD       LYS 281  -7.331 -12.093 -24.402
  314   1HE   LYS 281          1HE       LYS 281  -7.849 -11.257 -22.406
  315   2HE   LYS 281          2HE       LYS 281  -6.175 -11.537 -21.930
  316   1HZ   LYS 281          1HZ       LYS 281  -7.511  -9.052 -22.640
  317   2HZ   LYS 281          2HZ       LYS 281  -5.920  -9.223 -23.187
  318   3HZ   LYS 281          3HZ       LYS 281  -6.262  -9.333 -21.534
  319    H    ALA 282           H        ALA 282  -3.135  -8.613 -24.736
  320    HA   ALA 282           HA       ALA 282  -5.617  -7.538 -25.547
  321   1HB   ALA 282          1HB       ALA 282  -3.318  -6.613 -24.210
  322   2HB   ALA 282          2HB       ALA 282  -4.860  -5.781 -24.416
  323   3HB   ALA 282          3HB       ALA 282  -3.565  -5.542 -25.589
  324    H    ILE 283           H        ILE 283  -2.461  -7.769 -27.114
  325    HA   ILE 283           HA       ILE 283  -3.078  -6.219 -29.387
  326    HB   ILE 283           HB       ILE 283  -1.090  -8.479 -29.125
  327   1HG1  ILE 283          1HG1      ILE 283  -0.194  -5.668 -29.215
  328   2HG1  ILE 283          2HG1      ILE 283  -1.077  -6.124 -27.763
  329   1HG2  ILE 283          1HG2      ILE 283  -1.826  -6.722 -31.354
  330   2HG2  ILE 283          2HG2      ILE 283  -1.003  -8.282 -31.360
  331   3HG2  ILE 283          3HG2      ILE 283  -0.096  -6.807 -31.022
  332   1HD1  ILE 283          1HD1      ILE 283   1.565  -6.388 -28.026
  333   2HD1  ILE 283          2HD1      ILE 283   1.055  -7.966 -28.628
  334   3HD1  ILE 283          3HD1      ILE 283   0.584  -7.444 -27.010
  335    H    ASN 284           H        ASN 284  -3.514  -9.627 -28.619
  336    HA   ASN 284           HA       ASN 284  -4.190 -10.566 -31.160
  337   1HB   ASN 284          1HB       ASN 284  -3.998 -12.357 -29.781
  338   2HB   ASN 284          2HB       ASN 284  -4.598 -11.466 -28.392
  339   1HD2  ASN 284          1HD2      ASN 284  -6.814 -11.377 -28.003
  340   2HD2  ASN 284          2HD2      ASN 284  -7.920 -12.467 -28.761
  341    H    ALA 285           H        ALA 285  -6.021  -8.831 -28.745
  342    HA   ALA 285           HA       ALA 285  -8.591  -9.176 -29.872
  343   1HB   ALA 285          1HB       ALA 285  -8.277  -6.625 -28.547
  344   2HB   ALA 285          2HB       ALA 285  -7.540  -7.929 -27.617
  345   3HB   ALA 285          3HB       ALA 285  -9.240  -8.027 -28.076
  346    H    LEU 286           H        LEU 286  -6.115  -6.666 -30.259
  347    HA   LEU 286           HA       LEU 286  -7.654  -5.134 -32.126
  348   1HB   LEU 286          1HB       LEU 286  -4.847  -4.655 -32.445
  349   2HB   LEU 286          2HB       LEU 286  -6.077  -3.601 -31.778
  350    HG   LEU 286           HG       LEU 286  -4.846  -5.729 -30.068
  351   1HD1  LEU 286          1HD1      LEU 286  -3.037  -4.371 -29.469
  352   2HD1  LEU 286          2HD1      LEU 286  -3.713  -2.960 -30.282
  353   3HD1  LEU 286          3HD1      LEU 286  -3.078  -4.304 -31.232
  354   1HD2  LEU 286          1HD2      LEU 286  -5.295  -3.320 -28.705
  355   2HD2  LEU 286          2HD2      LEU 286  -6.225  -4.813 -28.588
  356   3HD2  LEU 286          3HD2      LEU 286  -6.701  -3.565 -29.740
  357    H    LYS 287           H        LYS 287  -5.730  -7.940 -32.306
  358    HA   LYS 287           HA       LYS 287  -4.768  -7.782 -34.941
  359   1HB   LYS 287          1HB       LYS 287  -4.758  -9.669 -32.842
  360   2HB   LYS 287          2HB       LYS 287  -5.443 -10.490 -34.239
  361   1HG   LYS 287          1HG       LYS 287  -3.505 -10.346 -35.448
  362   2HG   LYS 287          2HG       LYS 287  -2.954  -8.903 -34.596
  363   1HD   LYS 287          1HD       LYS 287  -3.053 -10.780 -32.601
  364   2HD   LYS 287          2HD       LYS 287  -2.507 -11.721 -33.990
  365   1HE   LYS 287          1HE       LYS 287  -1.181  -9.471 -32.568
  366   2HE   LYS 287          2HE       LYS 287  -0.498 -10.971 -33.191
  367   1HZ   LYS 287          1HZ       LYS 287  -0.744 -10.077 -35.442
  368   2HZ   LYS 287          2HZ       LYS 287   0.261  -9.107 -34.489
  369   3HZ   LYS 287          3HZ       LYS 287  -1.328  -8.621 -34.807
  370    H    SER 288           H        SER 288  -7.911  -8.349 -33.672
  371    HA   SER 288           HA       SER 288  -8.887  -9.208 -36.313
  372   1HB   SER 288          1HB       SER 288  -9.524 -10.819 -34.669
  373   2HB   SER 288          2HB       SER 288 -10.041  -9.565 -33.543
  374    HG   SER 288           HG       SER 288 -11.674 -10.769 -34.927
  375    H    PHE 289           H        PHE 289  -9.501  -7.012 -33.613
  376    HA   PHE 289           HA       PHE 289 -11.679  -5.625 -34.714
  377   1HB   PHE 289          1HB       PHE 289 -10.914  -5.518 -32.326
  378   2HB   PHE 289          2HB       PHE 289  -9.572  -4.509 -32.853
  379    HD1  PHE 289           HD1      PHE 289  -9.849  -2.204 -33.208
  380    HD2  PHE 289           HD2      PHE 289 -13.255  -4.685 -32.611
  381    HE1  PHE 289           HE1      PHE 289 -11.261  -0.203 -32.976
  382    HE2  PHE 289           HE2      PHE 289 -14.674  -2.688 -32.380
  383    HZ   PHE 289           HZ       PHE 289 -13.676  -0.442 -32.563
  384    H    HIS 290           H        HIS 290 -11.745  -3.510 -35.688
  385    HA   HIS 290           HA       HIS 290 -10.146  -3.172 -37.905
  386   1HB   HIS 290          1HB       HIS 290 -12.259  -1.754 -36.661
  387   2HB   HIS 290          2HB       HIS 290 -10.985  -0.585 -36.992
  388    HD1  HIS 290           HD1      HIS 290 -12.430  -3.475 -39.021
  389    HD2  HIS 290           HD2      HIS 290 -11.514   0.564 -39.370
  390    HE1  HIS 290           HE1      HIS 290 -13.026  -2.851 -41.383
  391    HE2  HIS 290           HE2      HIS 290 -12.483  -0.398 -41.568
  392    H    LYS 291           H        LYS 291 -10.015  -1.004 -35.093
  393    HA   LYS 291           HA       LYS 291  -7.760  -0.898 -33.956
  394   1HB   LYS 291          1HB       LYS 291  -6.470  -1.468 -35.971
  395   2HB   LYS 291          2HB       LYS 291  -6.955   0.051 -36.711
  396   1HG   LYS 291          1HG       LYS 291  -5.826   0.681 -34.204
  397   2HG   LYS 291          2HG       LYS 291  -4.756  -0.487 -34.981
  398   1HD   LYS 291          1HD       LYS 291  -3.938   1.494 -35.822
  399   2HD   LYS 291          2HD       LYS 291  -5.095   1.044 -37.077
  400   1HE   LYS 291          1HE       LYS 291  -6.017   3.051 -36.795
  401   2HE   LYS 291          2HE       LYS 291  -6.602   2.469 -35.237
  402   1HZ   LYS 291          1HZ       LYS 291  -3.970   3.781 -35.640
  403   2HZ   LYS 291          2HZ       LYS 291  -4.684   3.364 -34.163
  404   3HZ   LYS 291          3HZ       LYS 291  -5.363   4.587 -35.114
  405    HA   PRO 292           HA       PRO 292  -8.422   3.836 -35.392
  406   1HB   PRO 292          1HB       PRO 292 -11.185   3.282 -36.399
  407   2HB   PRO 292          2HB       PRO 292 -10.034   4.526 -36.902
  408   1HG   PRO 292          1HG       PRO 292 -10.396   2.362 -38.394
  409   2HG   PRO 292          2HG       PRO 292  -8.769   3.033 -38.160
  410   1HD   PRO 292          1HD       PRO 292 -10.009   0.604 -36.958
  411   2HD   PRO 292          2HD       PRO 292  -8.322   0.902 -37.419
  412    H    VAL 293           H        VAL 293  -8.424   3.992 -33.164
  413    HA   VAL 293           HA       VAL 293 -10.782   3.326 -31.637
  414    HB   VAL 293           HB       VAL 293  -8.111   4.493 -30.878
  415   1HG1  VAL 293          1HG1      VAL 293  -9.080   5.409 -29.088
  416   2HG1  VAL 293          2HG1      VAL 293  -9.357   3.762 -28.522
  417   3HG1  VAL 293          3HG1      VAL 293 -10.618   4.613 -29.415
  418   1HG2  VAL 293          1HG2      VAL 293  -7.765   2.248 -31.134
  419   2HG2  VAL 293          2HG2      VAL 293  -9.432   1.838 -30.721
  420   3HG2  VAL 293          3HG2      VAL 293  -8.294   2.283 -29.449
  421    H    THR 294           H        THR 294 -12.202   4.688 -30.705
  422    HA   THR 294           HA       THR 294 -12.058   7.517 -31.523
  423    HB   THR 294           HB       THR 294 -14.669   6.602 -30.584
  424    HG1  THR 294           HG1      THR 294 -15.091   5.245 -32.333
  425   1HG2  THR 294          1HG2      THR 294 -13.586   8.543 -32.301
  426   2HG2  THR 294          2HG2      THR 294 -15.286   8.279 -31.917
  427   3HG2  THR 294          3HG2      THR 294 -14.566   7.487 -33.318
  428    H    SER 295           H        SER 295 -12.478   5.306 -28.872
  429    HA   SER 295           HA       SER 295 -11.856   7.337 -26.959
  430   1HB   SER 295          1HB       SER 295 -14.305   7.711 -27.312
  431   2HB   SER 295          2HB       SER 295 -14.594   6.064 -26.750
  432    HG   SER 295           HG       SER 295 -14.195   8.294 -25.310
  433    H    TYR 296           H        TYR 296 -11.471   6.478 -24.843
  434    HA   TYR 296           HA       TYR 296 -10.236   3.972 -24.838
  435   1HB   TYR 296          1HB       TYR 296  -9.859   4.312 -22.503
  436   2HB   TYR 296          2HB       TYR 296  -9.762   5.885 -23.281
  437    HD1  TYR 296           HD1      TYR 296 -10.522   4.751 -20.328
  438    HD2  TYR 296           HD2      TYR 296 -12.608   6.615 -23.532
  439    HE1  TYR 296           HE1      TYR 296 -12.177   5.624 -18.735
  440    HE2  TYR 296           HE2      TYR 296 -14.271   7.493 -21.953
  441    HH   TYR 296           HH       TYR 296 -14.930   6.441 -19.199
  442    H    GLN 297           H        GLN 297 -13.507   4.903 -24.032
  443    HA   GLN 297           HA       GLN 297 -14.216   2.489 -22.698
  444   1HB   GLN 297          1HB       GLN 297 -15.448   4.968 -23.253
  445   2HB   GLN 297          2HB       GLN 297 -16.482   3.732 -23.957
  446   1HG   GLN 297          1HG       GLN 297 -15.484   3.558 -21.136
  447   2HG   GLN 297          2HG       GLN 297 -16.955   4.430 -21.564
  448   1HE2  GLN 297          1HE2      GLN 297 -16.454   1.971 -19.955
  449   2HE2  GLN 297          2HE2      GLN 297 -17.493   0.772 -20.639
  450    H    GLU 298           H        GLU 298 -14.412   3.612 -26.026
  451    HA   GLU 298           HA       GLU 298 -15.937   1.474 -27.046
  452   1HB   GLU 298          1HB       GLU 298 -13.883   2.859 -28.709
  453   2HB   GLU 298          2HB       GLU 298 -15.498   2.334 -29.153
  454   1HG   GLU 298          1HG       GLU 298 -15.274   4.450 -27.091
  455   2HG   GLU 298          2HG       GLU 298 -14.878   4.883 -28.755
  456    H    ALA 299           H        ALA 299 -12.517   1.881 -26.433
  457    HA   ALA 299           HA       ALA 299 -11.712  -0.483 -27.847
  458   1HB   ALA 299          1HB       ALA 299  -9.883   0.831 -27.723
  459   2HB   ALA 299          2HB       ALA 299  -9.639  -0.006 -26.190
  460   3HB   ALA 299          3HB       ALA 299 -10.397   1.587 -26.214
  461    H    CYS 300           H        CYS 300 -12.525   0.350 -24.532
  462    HA   CYS 300           HA       CYS 300 -11.692  -2.092 -23.353
  463   1HB   CYS 300          1HB       CYS 300 -12.011  -0.125 -21.976
  464   2HB   CYS 300          2HB       CYS 300 -13.705  -0.022 -22.448
  465    HG   CYS 300           HG       CYS 300 -12.467  -1.471 -19.853
  466    H    SER 301           H        SER 301 -14.471  -1.132 -25.153
  467    HA   SER 301           HA       SER 301 -16.369  -2.979 -24.253
  468   1HB   SER 301          1HB       SER 301 -16.271  -1.020 -26.212
  469   2HB   SER 301          2HB       SER 301 -16.488  -2.508 -27.132
  470    HG   SER 301           HG       SER 301 -18.087  -2.446 -24.946
  471    H    ILE 302           H        ILE 302 -13.577  -3.366 -26.272
  472    HA   ILE 302           HA       ILE 302 -14.298  -5.770 -27.559
  473    HB   ILE 302           HB       ILE 302 -11.564  -4.680 -26.873
  474   1HG1  ILE 302          1HG1      ILE 302 -12.617  -4.757 -29.647
  475   2HG1  ILE 302          2HG1      ILE 302 -13.372  -3.600 -28.556
  476   1HG2  ILE 302          1HG2      ILE 302 -12.416  -7.123 -28.354
  477   2HG2  ILE 302          2HG2      ILE 302 -11.051  -6.884 -27.263
  478   3HG2  ILE 302          3HG2      ILE 302 -10.991  -6.242 -28.905
  479   1HD1  ILE 302          1HD1      ILE 302 -10.511  -3.740 -29.436
  480   2HD1  ILE 302          2HD1      ILE 302 -11.023  -2.789 -28.041
  481   3HD1  ILE 302          3HD1      ILE 302 -11.667  -2.424 -29.642
  482    HA   PRO 303           HA       PRO 303 -14.194  -8.572 -24.112
  483   1HB   PRO 303          1HB       PRO 303 -13.817 -10.678 -26.138
  484   2HB   PRO 303          2HB       PRO 303 -15.136 -10.449 -24.987
  485   1HG   PRO 303          1HG       PRO 303 -15.473 -10.005 -27.609
  486   2HG   PRO 303          2HG       PRO 303 -16.285  -9.011 -26.384
  487   1HD   PRO 303          1HD       PRO 303 -13.846  -8.398 -28.012
  488   2HD   PRO 303          2HD       PRO 303 -15.212  -7.343 -27.587
  489    H    GLY 304           H        GLY 304 -11.591  -7.728 -25.913
  490   1HA   GLY 304          1HA       GLY 304  -9.866  -9.701 -24.548
  491   2HA   GLY 304          2HA       GLY 304  -9.514  -9.085 -26.155
  492    H    ILE 305           H        ILE 305 -10.788  -6.605 -24.335
  493    HA   ILE 305           HA       ILE 305  -8.182  -5.792 -23.264
  494    HB   ILE 305           HB       ILE 305  -9.801  -3.669 -24.566
  495   1HG1  ILE 305          1HG1      ILE 305  -8.116  -5.664 -26.094
  496   2HG1  ILE 305          2HG1      ILE 305  -9.830  -5.335 -26.318
  497   1HG2  ILE 305          1HG2      ILE 305  -7.962  -2.509 -24.137
  498   2HG2  ILE 305          2HG2      ILE 305  -7.003  -3.613 -25.125
  499   3HG2  ILE 305          3HG2      ILE 305  -7.246  -3.946 -23.409
  500   1HD1  ILE 305          1HD1      ILE 305  -9.409  -3.656 -27.706
  501   2HD1  ILE 305          2HD1      ILE 305  -7.746  -4.237 -27.740
  502   3HD1  ILE 305          3HD1      ILE 305  -8.209  -2.954 -26.622
  503    H    GLY 306           H        GLY 306  -8.265  -4.668 -21.383
  504   1HA   GLY 306          1HA       GLY 306 -10.915  -4.393 -20.159
  505   2HA   GLY 306          2HA       GLY 306  -9.385  -4.440 -19.299
  506    H    LYS 307           H        LYS 307 -10.226  -2.577 -18.148
  507    HA   LYS 307           HA       LYS 307 -10.602  -0.105 -19.571
  508   1HB   LYS 307          1HB       LYS 307 -11.861  -0.552 -17.527
  509   2HB   LYS 307          2HB       LYS 307 -10.366  -0.672 -16.610
  510   1HG   LYS 307          1HG       LYS 307 -10.259   1.529 -16.327
  511   2HG   LYS 307          2HG       LYS 307 -10.548   1.839 -18.040
  512   1HD   LYS 307          1HD       LYS 307 -12.791   1.023 -16.226
  513   2HD   LYS 307          2HD       LYS 307 -12.261   2.705 -16.309
  514   1HE   LYS 307          1HE       LYS 307 -12.498   1.829 -18.965
  515   2HE   LYS 307          2HE       LYS 307 -13.924   1.223 -18.124
  516   1HZ   LYS 307          1HZ       LYS 307 -14.417   3.446 -17.379
  517   2HZ   LYS 307          2HZ       LYS 307 -14.256   3.446 -19.063
  518   3HZ   LYS 307          3HZ       LYS 307 -13.007   4.048 -18.094
  519    H    ARG 308           H        ARG 308  -8.100  -1.481 -17.464
  520    HA   ARG 308           HA       ARG 308  -6.409   0.730 -17.328
  521   1HB   ARG 308          1HB       ARG 308  -6.304  -2.020 -16.608
  522   2HB   ARG 308          2HB       ARG 308  -4.825  -1.643 -17.484
  523   1HG   ARG 308          1HG       ARG 308  -4.955   0.477 -15.823
  524   2HG   ARG 308          2HG       ARG 308  -5.734  -0.758 -14.833
  525   1HD   ARG 308          1HD       ARG 308  -3.818  -2.213 -15.074
  526   2HD   ARG 308          2HD       ARG 308  -3.052  -1.069 -16.174
  527    HE   ARG 308           HE       ARG 308  -3.159   0.489 -14.137
  528   1HH1  ARG 308          1HH1      ARG 308  -2.713  -2.964 -13.981
  529   2HH1  ARG 308          2HH1      ARG 308  -1.820  -2.911 -12.498
  530   1HH2  ARG 308          1HH2      ARG 308  -1.985   0.567 -12.183
  531   2HH2  ARG 308          2HH2      ARG 308  -1.407  -0.905 -11.476
  532    H    MET 309           H        MET 309  -6.524  -1.902 -19.702
  533    HA   MET 309           HA       MET 309  -4.354  -0.932 -21.260
  534   1HB   MET 309          1HB       MET 309  -6.514  -2.975 -21.642
  535   2HB   MET 309          2HB       MET 309  -5.509  -2.503 -22.997
  536   1HG   MET 309          1HG       MET 309  -4.975  -4.415 -21.019
  537   2HG   MET 309          2HG       MET 309  -3.936  -3.901 -22.344
  538   1HE   MET 309          1HE       MET 309  -2.640  -4.490 -18.674
  539   2HE   MET 309          2HE       MET 309  -4.331  -4.694 -19.133
  540   3HE   MET 309          3HE       MET 309  -3.868  -3.399 -18.029
  541    H    ALA 310           H        ALA 310  -7.797  -0.384 -21.198
  542    HA   ALA 310           HA       ALA 310  -8.250   0.678 -23.719
  543   1HB   ALA 310          1HB       ALA 310 -10.162   0.383 -22.444
  544   2HB   ALA 310          2HB       ALA 310  -9.976   2.136 -22.444
  545   3HB   ALA 310          3HB       ALA 310  -9.474   1.196 -21.039
  546    H    GLU 311           H        GLU 311  -7.439   2.497 -20.755
  547    HA   GLU 311           HA       GLU 311  -7.067   4.973 -22.029
  548   1HB   GLU 311          1HB       GLU 311  -6.256   3.811 -19.397
  549   2HB   GLU 311          2HB       GLU 311  -5.533   5.331 -19.906
  550   1HG   GLU 311          1HG       GLU 311  -8.359   5.446 -20.307
  551   2HG   GLU 311          2HG       GLU 311  -8.015   4.919 -18.660
  552    H    LYS 312           H        LYS 312  -4.969   2.223 -21.566
  553    HA   LYS 312           HA       LYS 312  -2.494   3.439 -22.093
  554   1HB   LYS 312          1HB       LYS 312  -2.940   1.083 -21.219
  555   2HB   LYS 312          2HB       LYS 312  -3.228   0.626 -22.892
  556   1HG   LYS 312          1HG       LYS 312  -0.995   0.048 -22.423
  557   2HG   LYS 312          2HG       LYS 312  -0.926   1.509 -23.410
  558   1HD   LYS 312          1HD       LYS 312   0.613   1.936 -21.719
  559   2HD   LYS 312          2HD       LYS 312  -0.842   2.758 -21.154
  560   1HE   LYS 312          1HE       LYS 312  -0.242  -0.064 -20.341
  561   2HE   LYS 312          2HE       LYS 312   0.485   1.299 -19.491
  562   1HZ   LYS 312          1HZ       LYS 312  -1.823   2.152 -19.165
  563   2HZ   LYS 312          2HZ       LYS 312  -1.483   0.713 -18.343
  564   3HZ   LYS 312          3HZ       LYS 312  -2.401   0.679 -19.764
  565    H    ILE 313           H        ILE 313  -4.879   1.945 -24.236
  566    HA   ILE 313           HA       ILE 313  -3.437   2.207 -26.637
  567    HB   ILE 313           HB       ILE 313  -6.430   2.169 -26.200
  568   1HG1  ILE 313          1HG1      ILE 313  -4.805  -0.144 -27.190
  569   2HG1  ILE 313          2HG1      ILE 313  -4.851   0.201 -25.464
  570   1HG2  ILE 313          1HG2      ILE 313  -5.758   3.087 -28.402
  571   2HG2  ILE 313          2HG2      ILE 313  -6.651   1.569 -28.518
  572   3HG2  ILE 313          3HG2      ILE 313  -4.899   1.581 -28.728
  573   1HD1  ILE 313          1HD1      ILE 313  -6.612  -1.378 -26.797
  574   2HD1  ILE 313          2HD1      ILE 313  -7.477   0.157 -26.741
  575   3HD1  ILE 313          3HD1      ILE 313  -6.923  -0.598 -25.246
  576    H    ILE 314           H        ILE 314  -5.629   4.384 -24.935
  577    HA   ILE 314           HA       ILE 314  -5.879   6.339 -26.939
  578    HB   ILE 314           HB       ILE 314  -6.017   6.674 -23.938
  579   1HG1  ILE 314          1HG1      ILE 314  -7.642   5.058 -24.758
  580   2HG1  ILE 314          2HG1      ILE 314  -8.460   6.546 -24.297
  581   1HG2  ILE 314          1HG2      ILE 314  -6.472   8.541 -26.195
  582   2HG2  ILE 314          2HG2      ILE 314  -5.875   8.854 -24.566
  583   3HG2  ILE 314          3HG2      ILE 314  -7.600   8.610 -24.841
  584   1HD1  ILE 314          1HD1      ILE 314  -8.585   5.164 -26.748
  585   2HD1  ILE 314          2HD1      ILE 314  -7.781   6.703 -27.054
  586   3HD1  ILE 314          3HD1      ILE 314  -9.376   6.676 -26.302
  587    H    GLU 315           H        GLU 315  -3.453   5.829 -24.430
  588    HA   GLU 315           HA       GLU 315  -2.131   8.288 -24.668
  589   1HB   GLU 315          1HB       GLU 315  -1.141   7.373 -22.901
  590   2HB   GLU 315          2HB       GLU 315  -1.674   5.772 -23.367
  591   1HG   GLU 315          1HG       GLU 315   0.286   5.682 -24.929
  592   2HG   GLU 315          2HG       GLU 315   0.833   7.189 -24.196
  593    H    ILE 316           H        ILE 316  -1.797   5.261 -26.434
  594    HA   ILE 316           HA       ILE 316   0.506   5.900 -27.911
  595    HB   ILE 316           HB       ILE 316  -1.811   4.153 -28.760
  596   1HG1  ILE 316          1HG1      ILE 316   0.786   3.237 -27.534
  597   2HG1  ILE 316          2HG1      ILE 316  -0.614   3.637 -26.543
  598   1HG2  ILE 316          1HG2      ILE 316  -0.156   3.056 -30.212
  599   2HG2  ILE 316          2HG2      ILE 316   1.039   4.264 -29.738
  600   3HG2  ILE 316          3HG2      ILE 316  -0.399   4.751 -30.636
  601   1HD1  ILE 316          1HD1      ILE 316  -0.362   1.453 -28.586
  602   2HD1  ILE 316          2HD1      ILE 316  -1.904   1.952 -27.888
  603   3HD1  ILE 316          3HD1      ILE 316  -0.637   1.300 -26.850
  604    H    LEU 317           H        LEU 317  -2.871   6.703 -28.335
  605    HA   LEU 317           HA       LEU 317  -2.486   7.819 -30.970
  606   1HB   LEU 317          1HB       LEU 317  -4.818   7.804 -29.080
  607   2HB   LEU 317          2HB       LEU 317  -4.859   8.600 -30.639
  608    HG   LEU 317           HG       LEU 317  -4.198   5.681 -30.418
  609   1HD1  LEU 317          1HD1      LEU 317  -6.910   6.974 -30.411
  610   2HD1  LEU 317          2HD1      LEU 317  -6.266   5.772 -29.293
  611   3HD1  LEU 317          3HD1      LEU 317  -6.644   5.318 -30.955
  612   1HD2  LEU 317          1HD2      LEU 317  -4.460   7.584 -32.526
  613   2HD2  LEU 317          2HD2      LEU 317  -5.722   6.363 -32.695
  614   3HD2  LEU 317          3HD2      LEU 317  -4.029   5.875 -32.620
  615    H    GLU 318           H        GLU 318  -2.089   8.838 -27.765
  616    HA   GLU 318           HA       GLU 318  -2.543  11.646 -28.312
  617   1HB   GLU 318          1HB       GLU 318  -1.927  10.014 -25.904
  618   2HB   GLU 318          2HB       GLU 318  -1.437  11.702 -25.881
  619   1HG   GLU 318          1HG       GLU 318  -4.126  11.488 -26.839
  620   2HG   GLU 318          2HG       GLU 318  -3.959  10.632 -25.307
  621    H    SER 319           H        SER 319   0.224  10.137 -26.678
  622    HA   SER 319           HA       SER 319   2.459  10.510 -26.805
  623   1HB   SER 319          1HB       SER 319   3.435  10.277 -28.885
  624   2HB   SER 319          2HB       SER 319   1.825   9.626 -29.172
  625    HG   SER 319           HG       SER 319   2.950  12.042 -30.019
  626    H    GLY 320           H        GLY 320   0.462  12.826 -26.550
  627   1HA   GLY 320          1HA       GLY 320   2.061  15.065 -27.516
  628   2HA   GLY 320          2HA       GLY 320   0.481  15.169 -26.757
  629    H    HIS 321           H        HIS 321   1.768  13.228 -24.661
  630    HA   HIS 321           HA       HIS 321   2.363  15.270 -22.770
  631   1HB   HIS 321          1HB       HIS 321   2.661  12.265 -22.640
  632   2HB   HIS 321          2HB       HIS 321   2.958  13.335 -21.274
  633    HD1  HIS 321           HD1      HIS 321   0.276  14.999 -22.625
  634    HD2  HIS 321           HD2      HIS 321   0.593  11.281 -20.797
  635    HE1  HIS 321           HE1      HIS 321  -2.043  14.443 -21.824
  636    HE2  HIS 321           HE2      HIS 321  -1.839  12.161 -20.777
  637    H    LEU 322           H        LEU 322   4.428  14.830 -21.312
  638    HA   LEU 322           HA       LEU 322   6.761  14.528 -23.079
  639   1HB   LEU 322          1HB       LEU 322   5.870  16.908 -21.770
  640   2HB   LEU 322          2HB       LEU 322   7.390  16.410 -21.052
  641    HG   LEU 322           HG       LEU 322   6.970  16.813 -24.014
  642   1HD1  LEU 322          1HD1      LEU 322   6.947  18.988 -23.480
  643   2HD1  LEU 322          2HD1      LEU 322   8.675  18.772 -23.206
  644   3HD1  LEU 322          3HD1      LEU 322   7.551  18.698 -21.849
  645   1HD2  LEU 322          1HD2      LEU 322   9.664  16.975 -22.920
  646   2HD2  LEU 322          2HD2      LEU 322   9.060  16.086 -24.318
  647   3HD2  LEU 322          3HD2      LEU 322   8.923  15.390 -22.703
  648    H    ARG 323           H        ARG 323   6.049  15.083 -19.623
  649    HA   ARG 323           HA       ARG 323   7.905  12.883 -18.996
  650   1HB   ARG 323          1HB       ARG 323   7.289  15.449 -17.560
  651   2HB   ARG 323          2HB       ARG 323   7.970  14.077 -16.698
  652   1HG   ARG 323          1HG       ARG 323   9.308  14.993 -19.190
  653   2HG   ARG 323          2HG       ARG 323   9.499  15.948 -17.719
  654   1HD   ARG 323          1HD       ARG 323   9.977  12.984 -17.767
  655   2HD   ARG 323          2HD       ARG 323  11.241  14.139 -18.185
  656    HE   ARG 323           HE       ARG 323   9.965  13.870 -15.550
  657   1HH1  ARG 323          1HH1      ARG 323  12.529  15.070 -17.580
  658   2HH1  ARG 323          2HH1      ARG 323  13.515  15.585 -16.252
  659   1HH2  ARG 323          1HH2      ARG 323  11.255  14.543 -13.794
  660   2HH2  ARG 323          2HH2      ARG 323  12.791  15.286 -14.100
  661    H    LYS 324           H        LYS 324   6.396  11.218 -19.010
  662    HA   LYS 324           HA       LYS 324   4.074  11.443 -17.252
  663   1HB   LYS 324          1HB       LYS 324   4.443   8.841 -18.493
  664   2HB   LYS 324          2HB       LYS 324   3.079   9.943 -18.589
  665   1HG   LYS 324          1HG       LYS 324   4.362  11.235 -20.312
  666   2HG   LYS 324          2HG       LYS 324   5.547   9.927 -20.302
  667   1HD   LYS 324          1HD       LYS 324   3.691   8.349 -20.840
  668   2HD   LYS 324          2HD       LYS 324   2.633   9.747 -21.048
  669   1HE   LYS 324          1HE       LYS 324   3.768  10.477 -22.938
  670   2HE   LYS 324          2HE       LYS 324   5.222   9.564 -22.537
  671   1HZ   LYS 324          1HZ       LYS 324   3.940   8.611 -24.398
  672   2HZ   LYS 324          2HZ       LYS 324   2.645   8.332 -23.347
  673   3HZ   LYS 324          3HZ       LYS 324   4.116   7.535 -23.105
  674    H    LEU 325           H        LEU 325   4.667  11.202 -15.172
  675    HA   LEU 325           HA       LEU 325   6.379   8.909 -14.487
  676   1HB   LEU 325          1HB       LEU 325   5.865  11.512 -13.066
  677   2HB   LEU 325          2HB       LEU 325   6.651  10.152 -12.285
  678    HG   LEU 325           HG       LEU 325   7.752  11.212 -14.858
  679   1HD1  LEU 325          1HD1      LEU 325   8.755  12.293 -12.274
  680   2HD1  LEU 325          2HD1      LEU 325   7.324  13.022 -13.004
  681   3HD1  LEU 325          3HD1      LEU 325   8.844  12.976 -13.898
  682   1HD2  LEU 325          1HD2      LEU 325   9.196  10.124 -12.461
  683   2HD2  LEU 325          2HD2      LEU 325   9.760  10.245 -14.127
  684   3HD2  LEU 325          3HD2      LEU 325   8.513   9.073 -13.701
  685    H    ASP 326           H        ASP 326   5.629   7.321 -13.220
  686    HA   ASP 326           HA       ASP 326   2.813   7.349 -12.532
  687   1HB   ASP 326          1HB       ASP 326   4.642   5.368 -13.303
  688   2HB   ASP 326          2HB       ASP 326   4.245   5.003 -11.626
  689    H    HIS 327           H        HIS 327   2.000   7.694 -10.564
  690    HA   HIS 327           HA       HIS 327   3.862   7.706  -8.280
  691   1HB   HIS 327          1HB       HIS 327   2.627   9.913  -9.259
  692   2HB   HIS 327          2HB       HIS 327   1.428   9.374  -8.088
  693    HD1  HIS 327           HD1      HIS 327   3.605  11.881  -8.068
  694    HD2  HIS 327           HD2      HIS 327   3.480   8.483  -5.680
  695    HE1  HIS 327           HE1      HIS 327   4.873  12.479  -5.981
  696    HE2  HIS 327           HE2      HIS 327   4.715  10.436  -4.517
  Start of MODEL    8
    1    HA   ALA 242           HA       ALA 242   4.562   5.339 -48.862
    2   1HB   ALA 242          1HB       ALA 242   3.700   7.521 -48.575
    3   2HB   ALA 242          2HB       ALA 242   2.672   6.747 -49.780
    4   3HB   ALA 242          3HB       ALA 242   3.903   7.906 -50.283
    5    H    GLN 243           H        GLN 243   5.111   3.533 -50.124
    6    HA   GLN 243           HA       GLN 243   4.618   3.640 -52.985
    7   1HB   GLN 243          1HB       GLN 243   6.574   2.413 -52.239
    8   2HB   GLN 243          2HB       GLN 243   5.580   1.391 -51.209
    9   1HG   GLN 243          1HG       GLN 243   5.868   0.010 -52.993
   10   2HG   GLN 243          2HG       GLN 243   4.384   0.828 -53.477
   11   1HE2  GLN 243          1HE2      GLN 243   7.883   0.848 -53.860
   12   2HE2  GLN 243          2HE2      GLN 243   7.891   1.549 -55.439
   13    HA   PRO 244           HA       PRO 244   1.166   0.573 -51.745
   14   1HB   PRO 244          1HB       PRO 244   0.629   0.051 -49.173
   15   2HB   PRO 244          2HB       PRO 244   1.941  -0.772 -50.025
   16   1HG   PRO 244          1HG       PRO 244   2.070   1.539 -48.128
   17   2HG   PRO 244          2HG       PRO 244   3.122   0.116 -48.230
   18   1HD   PRO 244          1HD       PRO 244   3.750   2.569 -49.288
   19   2HD   PRO 244          2HD       PRO 244   4.400   1.033 -49.889
   20    H    SER 245           H        SER 245  -0.182   1.252 -48.861
   21    HA   SER 245           HA       SER 245  -1.915   2.541 -48.169
   22   1HB   SER 245          1HB       SER 245   0.116   4.265 -48.645
   23   2HB   SER 245          2HB       SER 245  -1.103   4.911 -49.745
   24    HG   SER 245           HG       SER 245  -2.546   4.915 -47.905
   25    H    SER 246           H        SER 246  -3.514   1.407 -49.276
   26    HA   SER 246           HA       SER 246  -4.480   2.705 -51.739
   27   1HB   SER 246          1HB       SER 246  -5.283  -0.095 -51.090
   28   2HB   SER 246          2HB       SER 246  -5.045   0.670 -52.661
   29    HG   SER 246           HG       SER 246  -3.164  -0.249 -52.630
   30    H    GLN 247           H        GLN 247  -6.555   3.392 -51.796
   31    HA   GLN 247           HA       GLN 247  -8.015   3.417 -49.301
   32   1HB   GLN 247          1HB       GLN 247  -8.554   4.667 -51.997
   33   2HB   GLN 247          2HB       GLN 247  -9.631   4.840 -50.618
   34   1HG   GLN 247          1HG       GLN 247  -8.306   6.337 -49.603
   35   2HG   GLN 247          2HG       GLN 247  -6.826   5.512 -50.087
   36   1HE2  GLN 247          1HE2      GLN 247  -5.748   7.303 -50.782
   37   2HE2  GLN 247          2HE2      GLN 247  -6.216   8.222 -52.168
   38    H    LYS 248           H        LYS 248  -8.047   0.899 -49.707
   39    HA   LYS 248           HA       LYS 248 -10.687   0.296 -50.857
   40   1HB   LYS 248          1HB       LYS 248  -8.212  -1.430 -51.052
   41   2HB   LYS 248          2HB       LYS 248  -9.819  -1.895 -51.593
   42   1HG   LYS 248          1HG       LYS 248  -9.805  -0.305 -53.332
   43   2HG   LYS 248          2HG       LYS 248  -8.391   0.517 -52.668
   44   1HD   LYS 248          1HD       LYS 248  -7.377  -0.700 -54.313
   45   2HD   LYS 248          2HD       LYS 248  -7.303  -1.875 -53.000
   46   1HE   LYS 248          1HE       LYS 248  -8.103  -3.095 -54.827
   47   2HE   LYS 248          2HE       LYS 248  -9.545  -2.730 -53.878
   48   1HZ   LYS 248          1HZ       LYS 248 -10.394  -1.871 -55.721
   49   2HZ   LYS 248          2HZ       LYS 248  -8.926  -1.998 -56.551
   50   3HZ   LYS 248          3HZ       LYS 248  -9.256  -0.623 -55.624
   51    H    ALA 249           H        ALA 249 -10.700  -2.426 -50.142
   52    HA   ALA 249           HA       ALA 249 -11.517  -2.241 -47.430
   53   1HB   ALA 249          1HB       ALA 249 -12.222  -4.462 -47.629
   54   2HB   ALA 249          2HB       ALA 249 -11.023  -4.826 -48.871
   55   3HB   ALA 249          3HB       ALA 249 -12.407  -3.799 -49.254
   56    H    THR 250           H        THR 250  -9.960  -1.827 -45.955
   57    HA   THR 250           HA       THR 250  -8.169  -3.915 -45.215
   58    HB   THR 250           HB       THR 250  -6.763  -3.097 -46.978
   59    HG1  THR 250           HG1      THR 250  -5.356  -1.760 -45.092
   60   1HG2  THR 250          1HG2      THR 250  -7.966  -0.789 -46.932
   61   2HG2  THR 250          2HG2      THR 250  -6.276  -0.875 -47.429
   62   3HG2  THR 250          3HG2      THR 250  -6.689  -0.346 -45.799
   63    H    ASN 251           H        ASN 251  -6.684  -3.131 -43.374
   64    HA   ASN 251           HA       ASN 251  -8.258  -2.031 -41.344
   65   1HB   ASN 251          1HB       ASN 251  -5.633  -3.120 -41.588
   66   2HB   ASN 251          2HB       ASN 251  -5.515  -1.604 -40.700
   67   1HD2  ASN 251          1HD2      ASN 251  -5.250  -4.470 -39.905
   68   2HD2  ASN 251          2HD2      ASN 251  -6.315  -4.652 -38.557
   69    H    HIS 252           H        HIS 252  -7.384  -0.095 -39.979
   70    HA   HIS 252           HA       HIS 252  -6.802   2.152 -41.791
   71   1HB   HIS 252          1HB       HIS 252  -9.232   1.758 -40.637
   72   2HB   HIS 252          2HB       HIS 252  -8.449   2.765 -39.424
   73    HD1  HIS 252           HD1      HIS 252  -9.619   2.822 -42.992
   74    HD2  HIS 252           HD2      HIS 252  -8.106   5.426 -40.130
   75    HE1  HIS 252           HE1      HIS 252  -9.939   5.128 -43.945
   76    HE2  HIS 252           HE2      HIS 252  -9.127   6.689 -42.143
   77    H    ASN 253           H        ASN 253  -6.179   0.596 -38.768
   78    HA   ASN 253           HA       ASN 253  -4.636   2.889 -37.807
   79   1HB   ASN 253          1HB       ASN 253  -5.774   0.447 -36.511
   80   2HB   ASN 253          2HB       ASN 253  -4.384   1.235 -35.770
   81   1HD2  ASN 253          1HD2      ASN 253  -6.911   2.873 -37.561
   82   2HD2  ASN 253          2HD2      ASN 253  -7.562   3.741 -36.216
   83    H    LEU 254           H        LEU 254  -3.966  -0.545 -37.301
   84    HA   LEU 254           HA       LEU 254  -2.134  -1.804 -37.507
   85   1HB   LEU 254          1HB       LEU 254  -1.513   0.005 -39.810
   86   2HB   LEU 254          2HB       LEU 254  -0.935  -1.622 -39.550
   87    HG   LEU 254           HG       LEU 254  -3.849  -1.406 -39.634
   88   1HD1  LEU 254          1HD1      LEU 254  -2.192  -0.259 -41.775
   89   2HD1  LEU 254          2HD1      LEU 254  -3.889   0.016 -41.375
   90   3HD1  LEU 254          3HD1      LEU 254  -3.419  -1.412 -42.299
   91   1HD2  LEU 254          1HD2      LEU 254  -2.994  -3.196 -41.538
   92   2HD2  LEU 254          2HD2      LEU 254  -3.386  -3.578 -39.861
   93   3HD2  LEU 254          3HD2      LEU 254  -1.715  -3.260 -40.326
   94    H    HIS 255           H        HIS 255  -1.935   1.365 -36.619
   95    HA   HIS 255           HA       HIS 255   0.970   1.473 -36.431
   96   1HB   HIS 255          1HB       HIS 255  -0.116   3.525 -37.095
   97   2HB   HIS 255          2HB       HIS 255  -1.191   3.460 -35.703
   98    HD1  HIS 255           HD1      HIS 255   2.605   3.391 -36.086
   99    HD2  HIS 255           HD2      HIS 255  -0.377   5.295 -33.903
  100    HE1  HIS 255           HE1      HIS 255   3.806   4.964 -34.534
  101    HE2  HIS 255           HE2      HIS 255   1.985   6.066 -33.186
  102    H    ILE 256           H        ILE 256  -1.800   1.797 -34.217
  103    HA   ILE 256           HA       ILE 256  -0.277   1.634 -31.850
  104    HB   ILE 256           HB       ILE 256  -3.172   0.840 -32.113
  105   1HG1  ILE 256          1HG1      ILE 256  -2.879   2.992 -33.221
  106   2HG1  ILE 256          2HG1      ILE 256  -3.714   3.215 -31.688
  107   1HG2  ILE 256          1HG2      ILE 256  -2.336   0.331 -29.960
  108   2HG2  ILE 256          2HG2      ILE 256  -3.247   1.832 -29.799
  109   3HG2  ILE 256          3HG2      ILE 256  -1.484   1.871 -29.848
  110   1HD1  ILE 256          1HD1      ILE 256  -1.332   4.444 -32.622
  111   2HD1  ILE 256          2HD1      ILE 256  -0.950   3.495 -31.185
  112   3HD1  ILE 256          3HD1      ILE 256  -2.210   4.727 -31.119
  113    H    THR 257           H        THR 257  -1.655  -0.794 -33.942
  114    HA   THR 257           HA       THR 257  -1.473  -2.960 -32.093
  115    HB   THR 257           HB       THR 257  -1.898  -4.417 -33.972
  116    HG1  THR 257           HG1      THR 257  -0.879  -3.818 -35.743
  117   1HG2  THR 257          1HG2      THR 257  -3.601  -2.461 -33.134
  118   2HG2  THR 257          2HG2      THR 257  -4.036  -3.767 -34.235
  119   3HG2  THR 257          3HG2      THR 257  -3.580  -2.188 -34.876
  120    H    GLU 258           H        GLU 258   0.522  -1.955 -34.865
  121    HA   GLU 258           HA       GLU 258   2.484  -3.924 -34.589
  122   1HB   GLU 258          1HB       GLU 258   3.666  -2.813 -36.227
  123   2HB   GLU 258          2HB       GLU 258   2.027  -2.243 -36.518
  124   1HG   GLU 258          1HG       GLU 258   2.629  -0.152 -36.163
  125   2HG   GLU 258          2HG       GLU 258   3.305  -0.595 -34.596
  126    H    LYS 259           H        LYS 259   2.082  -0.848 -32.985
  127    HA   LYS 259           HA       LYS 259   4.686  -0.821 -31.804
  128   1HB   LYS 259          1HB       LYS 259   4.025   1.329 -31.817
  129   2HB   LYS 259          2HB       LYS 259   2.327   0.894 -31.964
  130   1HG   LYS 259          1HG       LYS 259   2.398   1.966 -29.930
  131   2HG   LYS 259          2HG       LYS 259   2.532   0.254 -29.504
  132   1HD   LYS 259          1HD       LYS 259   4.258   1.076 -28.253
  133   2HD   LYS 259          2HD       LYS 259   5.092   0.737 -29.774
  134   1HE   LYS 259          1HE       LYS 259   4.896   3.050 -30.443
  135   2HE   LYS 259          2HE       LYS 259   3.946   3.419 -29.005
  136   1HZ   LYS 259          1HZ       LYS 259   5.769   3.475 -27.709
  137   2HZ   LYS 259          2HZ       LYS 259   6.569   3.795 -29.164
  138   3HZ   LYS 259          3HZ       LYS 259   6.552   2.225 -28.537
  139    H    LEU 260           H        LEU 260   1.393  -1.644 -30.748
  140    HA   LEU 260           HA       LEU 260   1.939  -2.095 -28.057
  141   1HB   LEU 260          1HB       LEU 260  -0.200  -2.638 -29.863
  142   2HB   LEU 260          2HB       LEU 260   0.118  -4.099 -28.945
  143    HG   LEU 260           HG       LEU 260  -0.003  -1.665 -27.307
  144   1HD1  LEU 260          1HD1      LEU 260  -2.508  -1.635 -27.392
  145   2HD1  LEU 260          2HD1      LEU 260  -2.402  -2.599 -28.865
  146   3HD1  LEU 260          3HD1      LEU 260  -1.704  -0.980 -28.818
  147   1HD2  LEU 260          1HD2      LEU 260  -1.511  -4.264 -27.106
  148   2HD2  LEU 260          2HD2      LEU 260  -1.205  -3.089 -25.825
  149   3HD2  LEU 260          3HD2      LEU 260   0.127  -4.031 -26.495
  150    H    GLU 261           H        GLU 261   2.877  -3.831 -30.854
  151    HA   GLU 261           HA       GLU 261   3.516  -6.287 -29.504
  152   1HB   GLU 261          1HB       GLU 261   3.837  -5.207 -32.286
  153   2HB   GLU 261          2HB       GLU 261   4.644  -6.682 -31.801
  154   1HG   GLU 261          1HG       GLU 261   2.458  -7.643 -31.190
  155   2HG   GLU 261          2HG       GLU 261   1.684  -6.175 -31.782
  156    H    VAL 262           H        VAL 262   5.227  -3.430 -30.752
  157    HA   VAL 262           HA       VAL 262   7.829  -4.298 -30.460
  158    HB   VAL 262           HB       VAL 262   8.439  -2.112 -30.754
  159   1HG1  VAL 262          1HG1      VAL 262   6.250  -2.997 -32.195
  160   2HG1  VAL 262          2HG1      VAL 262   7.464  -1.816 -32.687
  161   3HG1  VAL 262          3HG1      VAL 262   5.986  -1.281 -31.887
  162   1HG2  VAL 262          1HG2      VAL 262   6.993  -0.137 -30.196
  163   2HG2  VAL 262          2HG2      VAL 262   7.677  -1.015 -28.827
  164   3HG2  VAL 262          3HG2      VAL 262   5.994  -1.264 -29.283
  165    H    LEU 263           H        LEU 263   5.742  -2.619 -28.162
  166    HA   LEU 263           HA       LEU 263   7.637  -2.554 -26.048
  167   1HB   LEU 263          1HB       LEU 263   4.891  -1.747 -26.490
  168   2HB   LEU 263          2HB       LEU 263   5.085  -2.474 -24.907
  169    HG   LEU 263           HG       LEU 263   6.997  -0.859 -24.523
  170   1HD1  LEU 263          1HD1      LEU 263   7.404  -0.292 -26.869
  171   2HD1  LEU 263          2HD1      LEU 263   7.061   1.142 -25.902
  172   3HD1  LEU 263          3HD1      LEU 263   5.816   0.472 -26.957
  173   1HD2  LEU 263          1HD2      LEU 263   4.126  -0.103 -24.784
  174   2HD2  LEU 263          2HD2      LEU 263   5.308   1.130 -24.344
  175   3HD2  LEU 263          3HD2      LEU 263   5.111  -0.304 -23.335
  176    H    ALA 264           H        ALA 264   5.093  -4.782 -27.013
  177    HA   ALA 264           HA       ALA 264   5.020  -6.395 -24.724
  178   1HB   ALA 264          1HB       ALA 264   3.475  -7.484 -25.898
  179   2HB   ALA 264          2HB       ALA 264   4.653  -7.946 -27.127
  180   3HB   ALA 264          3HB       ALA 264   3.817  -6.397 -27.245
  181    H    LYS 265           H        LYS 265   7.144  -6.397 -27.526
  182    HA   LYS 265           HA       LYS 265   8.480  -8.831 -26.910
  183   1HB   LYS 265          1HB       LYS 265   8.575  -8.038 -29.163
  184   2HB   LYS 265          2HB       LYS 265   9.202  -6.476 -28.656
  185   1HG   LYS 265          1HG       LYS 265  10.981  -8.504 -27.747
  186   2HG   LYS 265          2HG       LYS 265  10.639  -8.767 -29.459
  187   1HD   LYS 265          1HD       LYS 265  12.195  -7.211 -29.855
  188   2HD   LYS 265          2HD       LYS 265  11.000  -6.039 -29.297
  189   1HE   LYS 265          1HE       LYS 265  11.887  -6.484 -26.956
  190   2HE   LYS 265          2HE       LYS 265  13.233  -7.313 -27.738
  191   1HZ   LYS 265          1HZ       LYS 265  13.973  -5.349 -28.711
  192   2HZ   LYS 265          2HZ       LYS 265  13.520  -4.864 -27.156
  193   3HZ   LYS 265          3HZ       LYS 265  12.503  -4.544 -28.469
  194    H    ALA 266           H        ALA 266   8.917  -5.483 -26.009
  195    HA   ALA 266           HA       ALA 266  11.525  -5.619 -24.980
  196   1HB   ALA 266          1HB       ALA 266   9.261  -3.766 -24.811
  197   2HB   ALA 266          2HB       ALA 266  10.979  -3.443 -25.038
  198   3HB   ALA 266          3HB       ALA 266  10.342  -3.729 -23.419
  199    H    TYR 267           H        TYR 267   8.371  -6.113 -23.425
  200    HA   TYR 267           HA       TYR 267   9.399  -6.593 -20.830
  201   1HB   TYR 267          1HB       TYR 267   6.783  -7.428 -22.098
  202   2HB   TYR 267          2HB       TYR 267   7.153  -7.589 -20.386
  203    HD1  TYR 267           HD1      TYR 267   5.457  -5.636 -22.658
  204    HD2  TYR 267           HD2      TYR 267   8.124  -5.246 -19.366
  205    HE1  TYR 267           HE1      TYR 267   4.639  -3.349 -22.275
  206    HE2  TYR 267           HE2      TYR 267   7.314  -2.957 -18.973
  207    HH   TYR 267           HH       TYR 267   5.556  -1.222 -21.191
  208    H    SER 268           H        SER 268   8.442  -8.740 -23.482
  209    HA   SER 268           HA       SER 268   8.779 -11.192 -22.233
  210   1HB   SER 268          1HB       SER 268   7.886 -11.531 -24.304
  211   2HB   SER 268          2HB       SER 268   8.819 -10.225 -25.034
  212    HG   SER 268           HG       SER 268   9.341 -12.877 -24.971
  213    H    VAL 269           H        VAL 269  11.173  -9.012 -23.593
  214    HA   VAL 269           HA       VAL 269  13.349 -10.873 -23.401
  215    HB   VAL 269           HB       VAL 269  13.318  -7.873 -23.762
  216   1HG1  VAL 269          1HG1      VAL 269  15.649  -9.783 -23.887
  217   2HG1  VAL 269          2HG1      VAL 269  15.398  -8.509 -22.694
  218   3HG1  VAL 269          3HG1      VAL 269  15.692  -8.091 -24.381
  219   1HG2  VAL 269          1HG2      VAL 269  12.745  -9.956 -25.531
  220   2HG2  VAL 269          2HG2      VAL 269  14.377  -9.428 -25.942
  221   3HG2  VAL 269          3HG2      VAL 269  13.050  -8.266 -25.933
  222    H    GLN 270           H        GLN 270  12.100  -8.227 -21.422
  223    HA   GLN 270           HA       GLN 270  14.200  -8.282 -19.507
  224   1HB   GLN 270          1HB       GLN 270  11.529  -7.004 -19.729
  225   2HB   GLN 270          2HB       GLN 270  12.197  -7.173 -18.113
  226   1HG   GLN 270          1HG       GLN 270  14.216  -6.170 -19.847
  227   2HG   GLN 270          2HG       GLN 270  12.758  -5.200 -20.037
  228   1HE2  GLN 270          1HE2      GLN 270  11.796  -4.326 -18.078
  229   2HE2  GLN 270          2HE2      GLN 270  12.822  -3.900 -16.756
  230    H    GLY 271           H        GLY 271  11.604 -10.367 -20.115
  231   1HA   GLY 271          1HA       GLY 271  11.306 -12.439 -19.037
  232   2HA   GLY 271          2HA       GLY 271  12.172 -11.813 -17.642
  233    H    ASP 272           H        ASP 272   9.438 -10.318 -19.308
  234    HA   ASP 272           HA       ASP 272   7.945 -10.431 -16.781
  235   1HB   ASP 272          1HB       ASP 272   8.407  -8.346 -18.660
  236   2HB   ASP 272          2HB       ASP 272   6.688  -8.725 -18.701
  237    H    LYS 273           H        LYS 273   7.178 -12.566 -17.080
  238    HA   LYS 273           HA       LYS 273   5.781 -13.415 -19.389
  239   1HB   LYS 273          1HB       LYS 273   4.913 -15.228 -17.849
  240   2HB   LYS 273          2HB       LYS 273   6.662 -15.102 -17.976
  241   1HG   LYS 273          1HG       LYS 273   5.905 -13.444 -15.838
  242   2HG   LYS 273          2HG       LYS 273   4.998 -14.947 -15.656
  243   1HD   LYS 273          1HD       LYS 273   7.059 -15.210 -14.489
  244   2HD   LYS 273          2HD       LYS 273   7.163 -16.180 -15.958
  245   1HE   LYS 273          1HE       LYS 273   9.008 -15.092 -16.538
  246   2HE   LYS 273          2HE       LYS 273   8.105 -13.578 -16.562
  247   1HZ   LYS 273          1HZ       LYS 273   9.072 -14.654 -14.001
  248   2HZ   LYS 273          2HZ       LYS 273   8.757 -13.050 -14.437
  249   3HZ   LYS 273          3HZ       LYS 273  10.144 -13.826 -15.015
  250    H    TRP 274           H        TRP 274   4.734 -11.974 -16.339
  251    HA   TRP 274           HA       TRP 274   1.952 -12.254 -16.822
  252   1HB   TRP 274          1HB       TRP 274   3.654 -10.911 -14.853
  253   2HB   TRP 274          2HB       TRP 274   2.094 -10.151 -15.112
  254    HD1  TRP 274           HD1      TRP 274   3.187 -13.865 -14.662
  255    HE1  TRP 274           HE1      TRP 274   1.605 -14.940 -12.938
  256    HE3  TRP 274           HE3      TRP 274   0.256  -9.809 -13.610
  257    HZ2  TRP 274           HZ2      TRP 274  -0.594 -14.168 -11.343
  258    HZ3  TRP 274           HZ3      TRP 274  -1.564 -10.062 -11.973
  259    HH2  TRP 274           HH2      TRP 274  -1.980 -12.197 -10.865
  260    H    ARG 275           H        ARG 275   4.115  -9.441 -17.017
  261    HA   ARG 275           HA       ARG 275   2.262  -7.611 -17.976
  262   1HB   ARG 275          1HB       ARG 275   5.215  -7.817 -17.960
  263   2HB   ARG 275          2HB       ARG 275   4.521  -6.691 -19.119
  264   1HG   ARG 275          1HG       ARG 275   3.482  -6.538 -16.360
  265   2HG   ARG 275          2HG       ARG 275   5.150  -6.019 -16.610
  266   1HD   ARG 275          1HD       ARG 275   4.503  -4.133 -17.605
  267   2HD   ARG 275          2HD       ARG 275   3.387  -4.992 -18.663
  268    HE   ARG 275           HE       ARG 275   1.670  -4.437 -17.252
  269   1HH1  ARG 275          1HH1      ARG 275   4.706  -3.873 -15.635
  270   2HH1  ARG 275          2HH1      ARG 275   3.982  -3.064 -14.285
  271   1HH2  ARG 275          1HH2      ARG 275   0.712  -3.371 -15.480
  272   2HH2  ARG 275          2HH2      ARG 275   1.713  -2.779 -14.196
  273    H    ALA 276           H        ALA 276   4.580  -9.565 -19.844
  274    HA   ALA 276           HA       ALA 276   3.741  -8.711 -22.379
  275   1HB   ALA 276          1HB       ALA 276   4.925 -11.406 -21.754
  276   2HB   ALA 276          2HB       ALA 276   5.870  -9.920 -21.831
  277   3HB   ALA 276          3HB       ALA 276   5.025 -10.504 -23.265
  278    H    LEU 277           H        LEU 277   2.322 -10.927 -20.154
  279    HA   LEU 277           HA       LEU 277   0.822 -12.443 -22.050
  280   1HB   LEU 277          1HB       LEU 277   0.746 -13.698 -20.202
  281   2HB   LEU 277          2HB       LEU 277   1.165 -12.343 -19.176
  282    HG   LEU 277           HG       LEU 277  -1.364 -11.704 -19.493
  283   1HD1  LEU 277          1HD1      LEU 277  -2.369 -13.183 -20.864
  284   2HD1  LEU 277          2HD1      LEU 277  -2.484 -14.153 -19.395
  285   3HD1  LEU 277          3HD1      LEU 277  -1.180 -14.447 -20.547
  286   1HD2  LEU 277          1HD2      LEU 277  -0.343 -13.907 -17.710
  287   2HD2  LEU 277          2HD2      LEU 277  -1.900 -13.103 -17.503
  288   3HD2  LEU 277          3HD2      LEU 277  -0.403 -12.181 -17.352
  289    H    GLY 278           H        GLY 278   0.053  -9.709 -19.911
  290   1HA   GLY 278          1HA       GLY 278  -2.648  -9.486 -20.820
  291   2HA   GLY 278          2HA       GLY 278  -1.773  -8.300 -19.861
  292    H    TYR 279           H        TYR 279   0.398  -8.047 -21.781
  293    HA   TYR 279           HA       TYR 279  -0.709  -5.990 -23.396
  294   1HB   TYR 279          1HB       TYR 279   1.896  -6.894 -22.640
  295   2HB   TYR 279          2HB       TYR 279   1.850  -6.736 -24.392
  296    HD1  TYR 279           HD1      TYR 279   3.025  -4.798 -24.892
  297    HD2  TYR 279           HD2      TYR 279   0.165  -4.713 -21.745
  298    HE1  TYR 279           HE1      TYR 279   3.338  -2.368 -24.681
  299    HE2  TYR 279           HE2      TYR 279   0.468  -2.283 -21.526
  300    HH   TYR 279           HH       TYR 279   1.308  -0.431 -22.577
  301    H    ALA 280           H        ALA 280   0.828  -9.094 -24.262
  302    HA   ALA 280           HA       ALA 280   0.274  -8.977 -27.001
  303   1HB   ALA 280          1HB       ALA 280   0.997 -11.174 -27.122
  304   2HB   ALA 280          2HB       ALA 280   0.328 -11.589 -25.544
  305   3HB   ALA 280          3HB       ALA 280   1.786 -10.602 -25.650
  306    H    LYS 281           H        LYS 281  -1.664 -10.075 -24.287
  307    HA   LYS 281           HA       LYS 281  -3.698 -11.382 -25.712
  308   1HB   LYS 281          1HB       LYS 281  -3.417 -11.499 -23.249
  309   2HB   LYS 281          2HB       LYS 281  -3.948  -9.827 -23.127
  310   1HG   LYS 281          1HG       LYS 281  -5.777 -11.271 -22.573
  311   2HG   LYS 281          2HG       LYS 281  -6.118 -10.486 -24.116
  312   1HD   LYS 281          1HD       LYS 281  -6.734 -12.742 -24.409
  313   2HD   LYS 281          2HD       LYS 281  -5.173 -12.574 -25.215
  314   1HE   LYS 281          1HE       LYS 281  -5.395 -14.632 -23.824
  315   2HE   LYS 281          2HE       LYS 281  -4.036 -13.599 -23.381
  316   1HZ   LYS 281          1HZ       LYS 281  -5.614 -14.560 -21.566
  317   2HZ   LYS 281          2HZ       LYS 281  -6.596 -13.249 -21.988
  318   3HZ   LYS 281          3HZ       LYS 281  -5.022 -12.981 -21.429
  319    H    ALA 282           H        ALA 282  -3.256  -7.995 -24.813
  320    HA   ALA 282           HA       ALA 282  -5.746  -7.057 -25.756
  321   1HB   ALA 282          1HB       ALA 282  -4.048  -4.917 -26.038
  322   2HB   ALA 282          2HB       ALA 282  -3.245  -5.890 -24.805
  323   3HB   ALA 282          3HB       ALA 282  -4.909  -5.357 -24.563
  324    H    ILE 283           H        ILE 283  -2.597  -7.494 -27.274
  325    HA   ILE 283           HA       ILE 283  -3.185  -6.221 -29.724
  326    HB   ILE 283           HB       ILE 283  -1.264  -8.509 -29.279
  327   1HG1  ILE 283          1HG1      ILE 283  -0.529  -5.593 -29.250
  328   2HG1  ILE 283          2HG1      ILE 283  -1.063  -6.401 -27.779
  329   1HG2  ILE 283          1HG2      ILE 283  -1.306  -8.304 -31.553
  330   2HG2  ILE 283          2HG2      ILE 283  -0.090  -7.086 -31.168
  331   3HG2  ILE 283          3HG2      ILE 283  -1.752  -6.598 -31.503
  332   1HD1  ILE 283          1HD1      ILE 283   0.809  -8.132 -28.552
  333   2HD1  ILE 283          2HD1      ILE 283   1.154  -6.725 -27.546
  334   3HD1  ILE 283          3HD1      ILE 283   1.460  -6.665 -29.282
  335    H    ASN 284           H        ASN 284  -3.763  -9.445 -28.492
  336    HA   ASN 284           HA       ASN 284  -4.439 -10.697 -30.922
  337   1HB   ASN 284          1HB       ASN 284  -3.935 -12.012 -28.963
  338   2HB   ASN 284          2HB       ASN 284  -5.284 -11.290 -28.105
  339   1HD2  ASN 284          1HD2      ASN 284  -4.272 -13.890 -29.900
  340   2HD2  ASN 284          2HD2      ASN 284  -5.813 -14.571 -30.285
  341    H    ALA 285           H        ALA 285  -6.230  -8.729 -28.660
  342    HA   ALA 285           HA       ALA 285  -8.819  -9.261 -29.711
  343   1HB   ALA 285          1HB       ALA 285  -8.088  -6.719 -28.301
  344   2HB   ALA 285          2HB       ALA 285  -8.171  -8.250 -27.430
  345   3HB   ALA 285          3HB       ALA 285  -9.601  -7.625 -28.250
  346    H    LEU 286           H        LEU 286  -6.383  -6.773 -30.289
  347    HA   LEU 286           HA       LEU 286  -7.986  -5.270 -32.115
  348   1HB   LEU 286          1HB       LEU 286  -4.989  -5.207 -32.101
  349   2HB   LEU 286          2HB       LEU 286  -6.116  -3.904 -32.422
  350    HG   LEU 286           HG       LEU 286  -5.772  -5.145 -29.697
  351   1HD1  LEU 286          1HD1      LEU 286  -3.656  -4.157 -30.447
  352   2HD1  LEU 286          2HD1      LEU 286  -4.382  -3.239 -29.128
  353   3HD1  LEU 286          3HD1      LEU 286  -4.492  -2.640 -30.783
  354   1HD2  LEU 286          1HD2      LEU 286  -7.699  -4.016 -29.426
  355   2HD2  LEU 286          2HD2      LEU 286  -7.435  -3.013 -30.852
  356   3HD2  LEU 286          3HD2      LEU 286  -6.640  -2.609 -29.330
  357    H    LYS 287           H        LYS 287  -6.131  -8.128 -32.331
  358    HA   LYS 287           HA       LYS 287  -5.349  -8.037 -35.038
  359   1HB   LYS 287          1HB       LYS 287  -5.360  -9.968 -32.888
  360   2HB   LYS 287          2HB       LYS 287  -5.844 -10.726 -34.398
  361   1HG   LYS 287          1HG       LYS 287  -3.784 -10.619 -35.249
  362   2HG   LYS 287          2HG       LYS 287  -3.523  -8.977 -34.658
  363   1HD   LYS 287          1HD       LYS 287  -3.340 -10.132 -32.332
  364   2HD   LYS 287          2HD       LYS 287  -3.035 -11.588 -33.282
  365   1HE   LYS 287          1HE       LYS 287  -1.021 -10.180 -32.512
  366   2HE   LYS 287          2HE       LYS 287  -1.067 -10.737 -34.183
  367   1HZ   LYS 287          1HZ       LYS 287  -0.620  -8.204 -33.453
  368   2HZ   LYS 287          2HZ       LYS 287  -2.290  -8.156 -33.718
  369   3HZ   LYS 287          3HZ       LYS 287  -1.252  -8.656 -34.956
  370    H    SER 288           H        SER 288  -8.395  -8.395 -33.574
  371    HA   SER 288           HA       SER 288  -9.551  -9.413 -36.085
  372   1HB   SER 288          1HB       SER 288  -9.963 -10.918 -34.201
  373   2HB   SER 288          2HB       SER 288 -10.655  -9.590 -33.270
  374    HG   SER 288           HG       SER 288 -12.274 -10.849 -34.264
  375    H    PHE 289           H        PHE 289  -9.158  -6.693 -34.203
  376    HA   PHE 289           HA       PHE 289 -11.711  -5.464 -34.522
  377   1HB   PHE 289          1HB       PHE 289  -9.765  -4.909 -32.861
  378   2HB   PHE 289          2HB       PHE 289  -9.173  -3.899 -34.175
  379    HD1  PHE 289           HD1      PHE 289  -9.390  -1.912 -32.794
  380    HD2  PHE 289           HD2      PHE 289 -12.771  -4.330 -33.713
  381    HE1  PHE 289           HE1      PHE 289 -10.883  -0.095 -32.068
  382    HE2  PHE 289           HE2      PHE 289 -14.269  -2.517 -32.992
  383    HZ   PHE 289           HZ       PHE 289 -13.325  -0.396 -32.168
  384    H    HIS 290           H        HIS 290 -12.556  -4.620 -36.299
  385    HA   HIS 290           HA       HIS 290 -10.853  -4.183 -38.628
  386   1HB   HIS 290          1HB       HIS 290 -12.914  -5.505 -38.900
  387   2HB   HIS 290          2HB       HIS 290 -13.868  -4.125 -38.366
  388    HD1  HIS 290           HD1      HIS 290 -14.979  -3.084 -40.299
  389    HD2  HIS 290           HD2      HIS 290 -11.181  -4.461 -41.276
  390    HE1  HIS 290           HE1      HIS 290 -14.644  -2.473 -42.715
  391    HE2  HIS 290           HE2      HIS 290 -12.317  -3.267 -43.270
  392    H    LYS 291           H        LYS 291 -13.368  -2.424 -36.815
  393    HA   LYS 291           HA       LYS 291 -12.889   0.042 -38.163
  394   1HB   LYS 291          1HB       LYS 291 -14.667  -0.951 -36.070
  395   2HB   LYS 291          2HB       LYS 291 -14.130   0.697 -35.777
  396   1HG   LYS 291          1HG       LYS 291 -14.931   0.312 -38.528
  397   2HG   LYS 291          2HG       LYS 291 -16.222  -0.104 -37.400
  398   1HD   LYS 291          1HD       LYS 291 -15.191   2.234 -36.360
  399   2HD   LYS 291          2HD       LYS 291 -15.124   2.498 -38.104
  400   1HE   LYS 291          1HE       LYS 291 -17.608   1.357 -36.925
  401   2HE   LYS 291          2HE       LYS 291 -17.286   3.076 -36.707
  402   1HZ   LYS 291          1HZ       LYS 291 -17.526   3.499 -38.916
  403   2HZ   LYS 291          2HZ       LYS 291 -18.585   2.186 -38.786
  404   3HZ   LYS 291          3HZ       LYS 291 -17.027   1.956 -39.399
  405    HA   PRO 292           HA       PRO 292  -9.407   1.603 -35.942
  406   1HB   PRO 292          1HB       PRO 292 -10.603   4.291 -36.097
  407   2HB   PRO 292          2HB       PRO 292  -9.109   3.685 -36.815
  408   1HG   PRO 292          1HG       PRO 292 -11.263   4.231 -38.314
  409   2HG   PRO 292          2HG       PRO 292 -10.182   2.878 -38.696
  410   1HD   PRO 292          1HD       PRO 292 -12.853   2.844 -37.336
  411   2HD   PRO 292          2HD       PRO 292 -12.203   1.741 -38.568
  412    H    VAL 293           H        VAL 293  -9.018   3.493 -34.194
  413    HA   VAL 293           HA       VAL 293 -10.962   3.006 -32.031
  414    HB   VAL 293           HB       VAL 293  -8.688   1.994 -31.710
  415   1HG1  VAL 293          1HG1      VAL 293  -6.967   3.760 -30.894
  416   2HG1  VAL 293          2HG1      VAL 293  -7.900   4.870 -31.897
  417   3HG1  VAL 293          3HG1      VAL 293  -7.144   3.451 -32.621
  418   1HG2  VAL 293          1HG2      VAL 293  -8.834   3.978 -29.549
  419   2HG2  VAL 293          2HG2      VAL 293  -8.909   2.217 -29.484
  420   3HG2  VAL 293          3HG2      VAL 293 -10.349   3.145 -29.901
  421    H    THR 294           H        THR 294 -11.365   4.727 -30.546
  422    HA   THR 294           HA       THR 294 -10.480   7.391 -31.395
  423    HB   THR 294           HB       THR 294 -12.556   7.400 -32.455
  424    HG1  THR 294           HG1      THR 294 -12.587   9.216 -31.216
  425   1HG2  THR 294          1HG2      THR 294 -14.017   6.286 -30.091
  426   2HG2  THR 294          2HG2      THR 294 -13.221   5.204 -31.234
  427   3HG2  THR 294          3HG2      THR 294 -14.487   6.297 -31.791
  428    H    SER 295           H        SER 295 -12.082   5.421 -28.924
  429    HA   SER 295           HA       SER 295 -10.908   7.183 -26.890
  430   1HB   SER 295          1HB       SER 295 -13.513   6.052 -26.132
  431   2HB   SER 295          2HB       SER 295 -12.873   7.676 -25.888
  432    HG   SER 295           HG       SER 295 -13.306   7.986 -28.193
  433    H    TYR 296           H        TYR 296 -10.908   6.165 -24.707
  434    HA   TYR 296           HA       TYR 296  -9.688   3.615 -24.824
  435   1HB   TYR 296          1HB       TYR 296  -9.462   3.798 -22.431
  436   2HB   TYR 296          2HB       TYR 296  -9.158   5.381 -23.137
  437    HD1  TYR 296           HD1      TYR 296 -10.502   3.958 -20.386
  438    HD2  TYR 296           HD2      TYR 296 -11.654   6.651 -23.472
  439    HE1  TYR 296           HE1      TYR 296 -12.200   4.931 -18.899
  440    HE2  TYR 296           HE2      TYR 296 -13.355   7.629 -21.996
  441    HH   TYR 296           HH       TYR 296 -13.406   7.268 -18.756
  442    H    GLN 297           H        GLN 297 -12.910   4.701 -23.882
  443    HA   GLN 297           HA       GLN 297 -13.806   2.255 -22.795
  444   1HB   GLN 297          1HB       GLN 297 -14.873   4.566 -22.577
  445   2HB   GLN 297          2HB       GLN 297 -15.564   4.282 -24.169
  446   1HG   GLN 297          1HG       GLN 297 -16.732   2.324 -23.338
  447   2HG   GLN 297          2HG       GLN 297 -16.002   2.547 -21.749
  448   1HE2  GLN 297          1HE2      GLN 297 -18.037   2.713 -20.792
  449   2HE2  GLN 297          2HE2      GLN 297 -19.003   4.138 -20.943
  450    H    GLU 298           H        GLU 298 -13.905   3.607 -26.050
  451    HA   GLU 298           HA       GLU 298 -15.476   1.580 -27.225
  452   1HB   GLU 298          1HB       GLU 298 -13.394   3.006 -28.803
  453   2HB   GLU 298          2HB       GLU 298 -15.044   2.603 -29.247
  454   1HG   GLU 298          1HG       GLU 298 -14.492   4.615 -27.104
  455   2HG   GLU 298          2HG       GLU 298 -14.420   5.065 -28.808
  456    H    ALA 299           H        ALA 299 -12.108   1.803 -26.422
  457    HA   ALA 299           HA       ALA 299 -11.309  -0.437 -28.057
  458   1HB   ALA 299          1HB       ALA 299  -9.740   1.379 -27.581
  459   2HB   ALA 299          2HB       ALA 299  -9.128  -0.167 -26.996
  460   3HB   ALA 299          3HB       ALA 299  -9.816   0.996 -25.861
  461    H    CYS 300           H        CYS 300 -12.144   0.154 -24.694
  462    HA   CYS 300           HA       CYS 300 -11.347  -2.394 -23.721
  463   1HB   CYS 300          1HB       CYS 300 -11.522  -0.753 -22.065
  464   2HB   CYS 300          2HB       CYS 300 -13.073  -0.177 -22.662
  465    HG   CYS 300           HG       CYS 300 -13.586  -1.288 -20.202
  466    H    SER 301           H        SER 301 -14.050  -1.295 -25.506
  467    HA   SER 301           HA       SER 301 -15.988  -3.170 -24.658
  468   1HB   SER 301          1HB       SER 301 -15.654  -1.469 -27.110
  469   2HB   SER 301          2HB       SER 301 -16.943  -2.669 -27.030
  470    HG   SER 301           HG       SER 301 -17.664  -0.653 -26.275
  471    H    ILE 302           H        ILE 302 -13.151  -3.531 -26.491
  472    HA   ILE 302           HA       ILE 302 -14.072  -5.851 -27.969
  473    HB   ILE 302           HB       ILE 302 -11.180  -5.129 -27.738
  474   1HG1  ILE 302          1HG1      ILE 302 -12.925  -3.761 -29.762
  475   2HG1  ILE 302          2HG1      ILE 302 -12.722  -3.061 -28.158
  476   1HG2  ILE 302          1HG2      ILE 302 -11.451  -7.005 -29.053
  477   2HG2  ILE 302          2HG2      ILE 302 -11.436  -5.715 -30.255
  478   3HG2  ILE 302          3HG2      ILE 302 -12.966  -6.428 -29.747
  479   1HD1  ILE 302          1HD1      ILE 302 -11.182  -2.108 -29.807
  480   2HD1  ILE 302          2HD1      ILE 302 -10.483  -3.707 -30.062
  481   3HD1  ILE 302          3HD1      ILE 302 -10.331  -2.918 -28.492
  482    HA   PRO 303           HA       PRO 303 -13.251  -8.676 -24.611
  483   1HB   PRO 303          1HB       PRO 303 -13.079 -10.669 -26.799
  484   2HB   PRO 303          2HB       PRO 303 -14.113 -10.656 -25.367
  485   1HG   PRO 303          1HG       PRO 303 -15.108 -10.133 -27.790
  486   2HG   PRO 303          2HG       PRO 303 -15.686  -9.272 -26.352
  487   1HD   PRO 303          1HD       PRO 303 -13.810  -8.347 -28.490
  488   2HD   PRO 303          2HD       PRO 303 -15.083  -7.448 -27.637
  489    H    GLY 304           H        GLY 304 -11.417  -9.393 -23.674
  490   1HA   GLY 304          1HA       GLY 304  -9.304 -10.555 -23.782
  491   2HA   GLY 304          2HA       GLY 304  -9.079  -9.903 -25.398
  492    H    ILE 305           H        ILE 305 -10.283  -7.361 -23.866
  493    HA   ILE 305           HA       ILE 305  -7.653  -6.438 -22.905
  494    HB   ILE 305           HB       ILE 305  -9.599  -4.400 -23.796
  495   1HG1  ILE 305          1HG1      ILE 305  -8.144  -6.167 -25.780
  496   2HG1  ILE 305          2HG1      ILE 305  -9.888  -6.107 -25.546
  497   1HG2  ILE 305          1HG2      ILE 305  -7.013  -4.166 -24.953
  498   2HG2  ILE 305          2HG2      ILE 305  -6.828  -4.623 -23.261
  499   3HG2  ILE 305          3HG2      ILE 305  -7.750  -3.182 -23.689
  500   1HD1  ILE 305          1HD1      ILE 305  -9.173  -3.476 -26.035
  501   2HD1  ILE 305          2HD1      ILE 305  -9.934  -4.596 -27.165
  502   3HD1  ILE 305          3HD1      ILE 305  -8.178  -4.421 -27.144
  503    H    GLY 306           H        GLY 306  -8.342  -4.082 -21.745
  504   1HA   GLY 306          1HA       GLY 306 -10.577  -4.504 -19.939
  505   2HA   GLY 306          2HA       GLY 306  -8.990  -4.590 -19.194
  506    H    LYS 307           H        LYS 307  -9.755  -2.789 -17.901
  507    HA   LYS 307           HA       LYS 307 -10.244  -0.251 -19.147
  508   1HB   LYS 307          1HB       LYS 307 -10.078  -1.282 -16.363
  509   2HB   LYS 307          2HB       LYS 307  -9.810   0.440 -16.603
  510   1HG   LYS 307          1HG       LYS 307 -11.972   0.711 -17.578
  511   2HG   LYS 307          2HG       LYS 307 -12.235  -1.033 -17.604
  512   1HD   LYS 307          1HD       LYS 307 -13.440  -0.290 -15.739
  513   2HD   LYS 307          2HD       LYS 307 -11.940  -0.927 -15.062
  514   1HE   LYS 307          1HE       LYS 307 -11.481   1.787 -15.679
  515   2HE   LYS 307          2HE       LYS 307 -13.040   1.706 -14.859
  516   1HZ   LYS 307          1HZ       LYS 307 -10.381   0.924 -13.861
  517   2HZ   LYS 307          2HZ       LYS 307 -11.772   0.223 -13.200
  518   3HZ   LYS 307          3HZ       LYS 307 -11.553   1.899 -13.127
  519    H    ARG 308           H        ARG 308  -7.605  -1.580 -17.159
  520    HA   ARG 308           HA       ARG 308  -5.906   0.624 -17.248
  521   1HB   ARG 308          1HB       ARG 308  -5.732  -2.150 -16.472
  522   2HB   ARG 308          2HB       ARG 308  -4.253  -1.645 -17.278
  523   1HG   ARG 308          1HG       ARG 308  -3.672  -0.209 -15.620
  524   2HG   ARG 308          2HG       ARG 308  -5.347   0.157 -15.200
  525   1HD   ARG 308          1HD       ARG 308  -4.248  -1.100 -13.421
  526   2HD   ARG 308          2HD       ARG 308  -5.565  -2.029 -14.138
  527    HE   ARG 308           HE       ARG 308  -2.695  -2.525 -14.530
  528   1HH1  ARG 308          1HH1      ARG 308  -6.020  -3.536 -14.823
  529   2HH1  ARG 308          2HH1      ARG 308  -5.618  -5.166 -15.250
  530   1HH2  ARG 308          1HH2      ARG 308  -2.162  -4.668 -15.093
  531   2HH2  ARG 308          2HH2      ARG 308  -3.428  -5.809 -15.403
  532    H    MET 309           H        MET 309  -6.270  -2.065 -19.512
  533    HA   MET 309           HA       MET 309  -4.088  -1.288 -21.178
  534   1HB   MET 309          1HB       MET 309  -6.190  -3.347 -21.202
  535   2HB   MET 309          2HB       MET 309  -5.716  -2.785 -22.798
  536   1HG   MET 309          1HG       MET 309  -4.229  -4.473 -22.538
  537   2HG   MET 309          2HG       MET 309  -3.299  -3.149 -21.840
  538   1HE   MET 309          1HE       MET 309  -1.827  -3.893 -20.562
  539   2HE   MET 309          2HE       MET 309  -1.844  -5.596 -20.108
  540   3HE   MET 309          3HE       MET 309  -2.069  -4.355 -18.878
  541    H    ALA 310           H        ALA 310  -7.543  -0.676 -21.154
  542    HA   ALA 310           HA       ALA 310  -7.898   0.435 -23.668
  543   1HB   ALA 310          1HB       ALA 310  -9.919   0.290 -22.679
  544   2HB   ALA 310          2HB       ALA 310  -9.580   1.950 -22.193
  545   3HB   ALA 310          3HB       ALA 310  -9.275   0.623 -21.072
  546    H    GLU 311           H        GLU 311  -7.198   2.198 -20.641
  547    HA   GLU 311           HA       GLU 311  -6.785   4.692 -21.888
  548   1HB   GLU 311          1HB       GLU 311  -5.487   5.184 -19.716
  549   2HB   GLU 311          2HB       GLU 311  -7.201   4.818 -19.592
  550   1HG   GLU 311          1HG       GLU 311  -6.711   2.558 -18.911
  551   2HG   GLU 311          2HG       GLU 311  -4.985   2.833 -19.141
  552    H    LYS 312           H        LYS 312  -4.757   1.919 -21.428
  553    HA   LYS 312           HA       LYS 312  -2.236   3.131 -21.757
  554   1HB   LYS 312          1HB       LYS 312  -2.618   0.800 -20.944
  555   2HB   LYS 312          2HB       LYS 312  -3.053   0.341 -22.584
  556   1HG   LYS 312          1HG       LYS 312  -0.827  -0.318 -22.344
  557   2HG   LYS 312          2HG       LYS 312  -0.751   1.189 -23.261
  558   1HD   LYS 312          1HD       LYS 312   0.920   1.444 -21.656
  559   2HD   LYS 312          2HD       LYS 312  -0.449   2.318 -20.965
  560   1HE   LYS 312          1HE       LYS 312  -0.411   1.015 -19.169
  561   2HE   LYS 312          2HE       LYS 312  -0.604  -0.419 -20.177
  562   1HZ   LYS 312          1HZ       LYS 312   2.057   0.565 -20.301
  563   2HZ   LYS 312          2HZ       LYS 312   1.503  -0.967 -19.842
  564   3HZ   LYS 312          3HZ       LYS 312   1.607   0.274 -18.696
  565    H    ILE 313           H        ILE 313  -4.556   1.783 -24.052
  566    HA   ILE 313           HA       ILE 313  -3.006   2.077 -26.381
  567    HB   ILE 313           HB       ILE 313  -6.017   2.234 -26.186
  568   1HG1  ILE 313          1HG1      ILE 313  -4.236  -0.199 -26.455
  569   2HG1  ILE 313          2HG1      ILE 313  -5.148   0.247 -25.019
  570   1HG2  ILE 313          1HG2      ILE 313  -5.646   1.026 -28.486
  571   2HG2  ILE 313          2HG2      ILE 313  -4.075   1.826 -28.410
  572   3HG2  ILE 313          3HG2      ILE 313  -5.556   2.783 -28.366
  573   1HD1  ILE 313          1HD1      ILE 313  -6.016  -1.107 -27.449
  574   2HD1  ILE 313          2HD1      ILE 313  -7.094   0.188 -26.927
  575   3HD1  ILE 313          3HD1      ILE 313  -6.700  -1.132 -25.825
  576    H    ILE 314           H        ILE 314  -5.378   4.218 -24.836
  577    HA   ILE 314           HA       ILE 314  -5.329   6.262 -26.762
  578    HB   ILE 314           HB       ILE 314  -5.852   6.517 -23.797
  579   1HG1  ILE 314          1HG1      ILE 314  -7.318   4.861 -24.837
  580   2HG1  ILE 314          2HG1      ILE 314  -8.227   6.308 -24.412
  581   1HG2  ILE 314          1HG2      ILE 314  -6.736   8.609 -24.158
  582   2HG2  ILE 314          2HG2      ILE 314  -7.031   8.308 -25.871
  583   3HG2  ILE 314          3HG2      ILE 314  -5.390   8.602 -25.298
  584   1HD1  ILE 314          1HD1      ILE 314  -8.285   5.025 -26.827
  585   2HD1  ILE 314          2HD1      ILE 314  -7.185   6.370 -27.128
  586   3HD1  ILE 314          3HD1      ILE 314  -8.814   6.681 -26.527
  587    H    GLU 315           H        GLU 315  -3.277   5.579 -23.995
  588    HA   GLU 315           HA       GLU 315  -1.917   8.030 -23.873
  589   1HB   GLU 315          1HB       GLU 315  -1.811   5.572 -22.548
  590   2HB   GLU 315          2HB       GLU 315  -0.197   5.813 -23.203
  591   1HG   GLU 315          1HG       GLU 315   0.278   7.275 -21.612
  592   2HG   GLU 315          2HG       GLU 315  -1.136   8.245 -22.022
  593    H    ILE 316           H        ILE 316  -1.334   5.098 -25.742
  594    HA   ILE 316           HA       ILE 316   1.148   5.892 -26.850
  595    HB   ILE 316           HB       ILE 316  -0.882   3.984 -28.021
  596   1HG1  ILE 316          1HG1      ILE 316   1.519   3.051 -26.524
  597   2HG1  ILE 316          2HG1      ILE 316   0.163   3.670 -25.586
  598   1HG2  ILE 316          1HG2      ILE 316   1.668   3.128 -28.672
  599   2HG2  ILE 316          2HG2      ILE 316   1.737   4.879 -28.879
  600   3HG2  ILE 316          3HG2      ILE 316   0.525   3.936 -29.746
  601   1HD1  ILE 316          1HD1      ILE 316   0.301   1.268 -27.349
  602   2HD1  ILE 316          2HD1      ILE 316  -1.248   2.037 -27.003
  603   3HD1  ILE 316          3HD1      ILE 316  -0.261   1.407 -25.683
  604    H    LEU 317           H        LEU 317  -2.144   6.653 -27.577
  605    HA   LEU 317           HA       LEU 317  -1.590   7.642 -30.234
  606   1HB   LEU 317          1HB       LEU 317  -4.015   7.619 -28.476
  607   2HB   LEU 317          2HB       LEU 317  -3.988   8.517 -29.979
  608    HG   LEU 317           HG       LEU 317  -3.273   5.617 -30.010
  609   1HD1  LEU 317          1HD1      LEU 317  -6.120   6.481 -30.295
  610   2HD1  LEU 317          2HD1      LEU 317  -5.461   6.077 -28.709
  611   3HD1  LEU 317          3HD1      LEU 317  -5.463   4.871 -29.997
  612   1HD2  LEU 317          1HD2      LEU 317  -4.635   7.479 -31.952
  613   2HD2  LEU 317          2HD2      LEU 317  -4.303   5.771 -32.242
  614   3HD2  LEU 317          3HD2      LEU 317  -2.969   6.905 -32.036
  615    H    GLU 318           H        GLU 318  -1.393   8.777 -27.047
  616    HA   GLU 318           HA       GLU 318  -1.623  11.581 -27.820
  617   1HB   GLU 318          1HB       GLU 318  -1.268  10.252 -25.138
  618   2HB   GLU 318          2HB       GLU 318  -1.317  11.994 -25.364
  619   1HG   GLU 318          1HG       GLU 318  -3.585  10.973 -26.660
  620   2HG   GLU 318          2HG       GLU 318  -3.476  10.133 -25.113
  621    H    SER 319           H        SER 319   0.619   9.558 -28.414
  622    HA   SER 319           HA       SER 319   2.858   9.610 -28.744
  623   1HB   SER 319          1HB       SER 319   3.868  11.641 -29.192
  624   2HB   SER 319          2HB       SER 319   2.163  12.037 -29.377
  625    HG   SER 319           HG       SER 319   2.753  13.577 -28.029
  626    H    GLY 320           H        GLY 320   1.543   9.473 -25.935
  627   1HA   GLY 320          1HA       GLY 320   2.736   8.478 -24.097
  628   2HA   GLY 320          2HA       GLY 320   4.114   9.491 -24.499
  629    H    HIS 321           H        HIS 321   3.204  11.974 -24.595
  630    HA   HIS 321           HA       HIS 321   1.547  12.500 -22.258
  631   1HB   HIS 321          1HB       HIS 321   4.435  12.718 -22.254
  632   2HB   HIS 321          2HB       HIS 321   3.687  14.280 -21.942
  633    HD1  HIS 321           HD1      HIS 321   4.627  11.183 -20.308
  634    HD2  HIS 321           HD2      HIS 321   1.813  14.174 -19.676
  635    HE1  HIS 321           HE1      HIS 321   3.893  10.922 -17.917
  636    HE2  HIS 321           HE2      HIS 321   2.128  12.688 -17.583
  637    H    LEU 322           H        LEU 322   3.855  14.475 -24.101
  638    HA   LEU 322           HA       LEU 322   1.588  16.008 -25.182
  639   1HB   LEU 322          1HB       LEU 322   3.157  16.976 -23.212
  640   2HB   LEU 322          2HB       LEU 322   4.088  17.481 -24.610
  641    HG   LEU 322           HG       LEU 322   1.882  18.497 -25.469
  642   1HD1  LEU 322          1HD1      LEU 322   1.015  18.925 -22.719
  643   2HD1  LEU 322          2HD1      LEU 322   0.842  17.255 -23.260
  644   3HD1  LEU 322          3HD1      LEU 322   0.071  18.560 -24.163
  645   1HD2  LEU 322          1HD2      LEU 322   3.620  19.956 -24.873
  646   2HD2  LEU 322          2HD2      LEU 322   3.483  19.556 -23.160
  647   3HD2  LEU 322          3HD2      LEU 322   2.226  20.510 -23.947
  648    H    ARG 323           H        ARG 323   5.133  16.181 -25.490
  649    HA   ARG 323           HA       ARG 323   4.809  16.127 -28.404
  650   1HB   ARG 323          1HB       ARG 323   7.265  16.854 -26.801
  651   2HB   ARG 323          2HB       ARG 323   7.031  17.083 -28.528
  652   1HG   ARG 323          1HG       ARG 323   4.912  18.383 -27.141
  653   2HG   ARG 323          2HG       ARG 323   6.451  18.873 -26.429
  654   1HD   ARG 323          1HD       ARG 323   7.176  19.880 -28.347
  655   2HD   ARG 323          2HD       ARG 323   6.247  18.806 -29.391
  656    HE   ARG 323           HE       ARG 323   4.665  20.628 -27.802
  657   1HH1  ARG 323          1HH1      ARG 323   6.302  20.078 -30.829
  658   2HH1  ARG 323          2HH1      ARG 323   5.370  21.254 -31.695
  659   1HH2  ARG 323          1HH2      ARG 323   3.433  22.179 -28.934
  660   2HH2  ARG 323          2HH2      ARG 323   3.739  22.446 -30.618
  661    H    LYS 324           H        LYS 324   6.308  14.880 -29.693
  662    HA   LYS 324           HA       LYS 324   6.749  12.258 -28.541
  663   1HB   LYS 324          1HB       LYS 324   6.234  13.305 -31.147
  664   2HB   LYS 324          2HB       LYS 324   7.743  12.404 -31.202
  665   1HG   LYS 324          1HG       LYS 324   5.529  11.085 -29.784
  666   2HG   LYS 324          2HG       LYS 324   5.310  11.301 -31.521
  667   1HD   LYS 324          1HD       LYS 324   7.973  10.395 -31.015
  668   2HD   LYS 324          2HD       LYS 324   6.834   9.334 -30.184
  669   1HE   LYS 324          1HE       LYS 324   7.024   9.965 -33.112
  670   2HE   LYS 324          2HE       LYS 324   7.082   8.393 -32.317
  671   1HZ   LYS 324          1HZ       LYS 324   4.966   8.659 -33.362
  672   2HZ   LYS 324          2HZ       LYS 324   4.706  10.149 -32.607
  673   3HZ   LYS 324          3HZ       LYS 324   4.732   8.730 -31.687
  674    H    LEU 325           H        LEU 325   8.731  11.182 -28.452
  675    HA   LEU 325           HA       LEU 325  11.111  12.892 -28.749
  676   1HB   LEU 325          1HB       LEU 325  11.640  10.899 -26.809
  677   2HB   LEU 325          2HB       LEU 325  11.586  12.639 -26.594
  678    HG   LEU 325           HG       LEU 325   8.905  11.704 -26.595
  679   1HD1  LEU 325          1HD1      LEU 325  10.392   9.573 -25.921
  680   2HD1  LEU 325          2HD1      LEU 325   8.799   9.902 -25.242
  681   3HD1  LEU 325          3HD1      LEU 325  10.249  10.353 -24.345
  682   1HD2  LEU 325          1HD2      LEU 325   9.557  13.680 -25.447
  683   2HD2  LEU 325          2HD2      LEU 325  10.749  12.805 -24.484
  684   3HD2  LEU 325          3HD2      LEU 325   9.027  12.526 -24.224
  685    H    ASP 326           H        ASP 326  13.059  11.834 -29.343
  686    HA   ASP 326           HA       ASP 326  12.590   9.314 -30.775
  687   1HB   ASP 326          1HB       ASP 326  13.667  11.645 -31.695
  688   2HB   ASP 326          2HB       ASP 326  15.118  10.749 -31.254
  689    H    HIS 327           H        HIS 327  12.916   7.792 -29.192
  690    HA   HIS 327           HA       HIS 327  15.017   7.836 -27.310
  691   1HB   HIS 327          1HB       HIS 327  12.789   6.365 -27.535
  692   2HB   HIS 327          2HB       HIS 327  13.938   5.213 -28.208
  693    HD1  HIS 327           HD1      HIS 327  16.205   6.396 -26.103
  694    HD2  HIS 327           HD2      HIS 327  12.526   4.649 -25.283
  695    HE1  HIS 327           HE1      HIS 327  16.389   5.512 -23.756
  696    HE2  HIS 327           HE2      HIS 327  14.129   4.515 -23.259