*HEADER    TRANSCRIPTION, SIGNALING PROTEIN        30-MAR-04   1SXE              
*TITLE     THE SOLUTION STRUCTURE OF THE POINTED (PNT) DOMAIN FROM THE           
*TITLE    2 TRANSCRITION FACTOR ERG                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSCRIPTIONAL REGULATOR ERG;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: PNT DOMAIN;                                                
*COMPND   5 SYNONYM: TRANSFORMING PROTEIN ERG;                                   
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: ERG;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET28                                     
*KEYWDS    ALPHA HELICAL                                                         
*EXPDTA    NMR, 14 STRUCTURES                                                    
*AUTHOR    C.D.MACKERETH, M.SCHAERPF, L.N.GENTILE, S.E.MACINTOSH,                
*AUTHOR   2 C.M.SLUPSKY, L.P.MCINTOSH                                            
*REVDAT   1   21-SEP-04 1SXE    0                                                
 !chi1_dihedral from long range cg-n, cg-co
!Valines -- Val21 has complete rotamer averaging, Val43 is between -60/180
assign ( resid 23 and name N ) ( resid 23 and name CA )
       ( resid 23 and name CB ) ( resid 23 and name CG1 ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 35 and name N ) ( resid 35 and name CA )
       ( resid 35 and name CB ) ( resid 35 and name CG1 ) 1.000 180.000 30.000 2 !CHI1
assign ( resid 50 and name N ) ( resid 50 and name CA )
       ( resid 50 and name CB ) ( resid 50 and name CG1 ) 1.000 180.000 30.000 2 !CHI1
!Threonines -- Thr15,16,76 probably 60, Thr94 complete rotamer averaging
assign ( resid 28 and name N ) ( resid 28 and name CA )
       ( resid 28 and name CB ) ( resid 28 and name OG1 ) 1.000 60.000 30.000 2 !CHI1
assign ( resid 32 and name N ) ( resid 32 and name CA )
       ( resid 32 and name CB ) ( resid 32 and name OG1 ) 1.000 60.000 30.000 2 !CHI1
assign ( resid 68 and name N ) ( resid 68 and name CA )
       ( resid 68 and name CB ) ( resid 68 and name OG1 ) 1.000 60.000 30.000 2 !CHI1
!Isoleucines -- Ile22,53 rotamer averaging
assign ( resid 59 and name N ) ( resid 59 and name CA )
       ( resid 59 and name CB ) ( resid 59 and name CG1 ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 83 and name N ) ( resid 83 and name CA )
       ( resid 83 and name CB ) ( resid 83 and name CG1 ) 1.000 -60.000 30.000 2 !CHI1
!
!phi_angles -- average of TALOS and SHIFTOR (J is also noted)
!helices
assign ( resid 20 and name C ) ( resid 21 and name N )
       ( resid 21 and name CA ) ( resid 21 and name C ) 1.000 -98.000 60.000 2 !PHI --just TALOS
!assign ( resid 21 and name C ) ( resid 22 and name N )
!       ( resid 22 and name CA ) ( resid 22 and name C ) 1.000 -84.000 30.000 2 !PHI J=8.7 -- not great TALOS/SHIFTOR
!assign ( resid 22 and name C ) ( resid 23 and name N )
!       ( resid 23 and name CA ) ( resid 23 and name C ) 1.000 -116.000 30.000 2 !PHI -- bad
assign ( resid 23 and name C ) ( resid 24 and name N )
       ( resid 24 and name CA ) ( resid 24 and name C ) 1.000 -62.000 60.000 2 !PHI -- just SHIFTOR
assign ( resid 24 and name C ) ( resid 25 and name N )
       ( resid 25 and name CA ) ( resid 25 and name C ) 1.000 -62.000 30.000 2 !PHI J=4.5 -- just SHIFTOR
!assign ( resid 25 and name C ) ( resid 26 and name N )
!       ( resid 26 and name CA ) ( resid 26 and name C ) 1.000 -118.000 30.000 2 !PHI J=8.6 -- good agreement, but bad confidence...
assign ( resid 26 and name C ) ( resid 27 and name N )
       ( resid 27 and name CA ) ( resid 27 and name C ) 1.000 -61.000 60.000 2 !PHI -- just SHIFTOR
assign ( resid 27 and name C ) ( resid 28 and name N )
       ( resid 28 and name CA ) ( resid 28 and name C ) 1.000 -69.000 30.000 2 !PHI J=6.7
!assign ( resid 28 and name C ) ( resid 29 and name N )
!       ( resid 29 and name CA ) ( resid 29 and name C ) 1.000 -90.000 30.000 2 !PHI J=11.7 -- too much disagreement
assign ( resid 29 and name C ) ( resid 30 and name N )
       ( resid 30 and name CA ) ( resid 30 and name C ) 1.000 -87.000 60.000 2 !PHI J=4.0 -- just TALOS
assign ( resid 30 and name C ) ( resid 31 and name N )
       ( resid 31 and name CA ) ( resid 31 and name C ) 1.000 -91.000 30.000 2 !PHI J=8.9 -- good
assign ( resid 31 and name C ) ( resid 32 and name N )
       ( resid 32 and name CA ) ( resid 32 and name C ) 1.000 -63.000 30.000 2 !PHI J=4.5 a-helix
assign ( resid 32 and name C ) ( resid 33 and name N ) 
       ( resid 33 and name CA ) ( resid 33 and name C ) 1.000 -65.000 30.000 2 !PHI J=6.5 a-helix
assign ( resid 33 and name C ) ( resid 34 and name N )
       ( resid 34 and name CA ) ( resid 34 and name C ) 1.000 -63.000 30.000 2 !PHI J=5.6 a-helix
assign ( resid 34 and name C ) ( resid 35 and name N )
       ( resid 35 and name CA ) ( resid 35 and name C ) 1.000 -62.000 30.000 2 !PHI J=4.4 a-helix
assign ( resid 35 and name C ) ( resid 36 and name N )
       ( resid 36 and name CA ) ( resid 36 and name C ) 1.000 -63.000 30.000 2 !PHI a-helix
assign ( resid 36 and name C ) ( resid 37 and name N )
       ( resid 37 and name CA ) ( resid 37 and name C ) 1.000 -64.000 30.000 2 !PHI a-helix
assign ( resid 37 and name C ) ( resid 38 and name N )
       ( resid 38 and name CA ) ( resid 38 and name C ) 1.000 -67.000 30.000 2 !PHI J=4.8 a-helix
assign ( resid 38 and name C ) ( resid 39 and name N )
       ( resid 39 and name CA ) ( resid 39 and name C ) 1.000 -64.000 30.000 2 !PHI J=4.2 a-helix
assign ( resid 39 and name C ) ( resid 40 and name N )
       ( resid 40 and name CA ) ( resid 40 and name C ) 1.000 -64.000 30.000 2 !PHI J=4.5 a-helix
assign ( resid 40 and name C ) ( resid 41 and name N )
       ( resid 41 and name CA ) ( resid 41 and name C ) 1.000 -68.000 30.000 2 !PHI a-helix
assign ( resid 41 and name C ) ( resid 42 and name N )
       ( resid 42 and name CA ) ( resid 42 and name C ) 1.000 -61.000 30.000 2 !PHI J=4.4 a-helix
assign ( resid 42 and name C ) ( resid 43 and name N )
       ( resid 43 and name CA ) ( resid 43 and name C ) 1.000 -66.000 30.000 2 !PHI J=4.1 a-helix
assign ( resid 43 and name C ) ( resid 44 and name N )
       ( resid 44 and name CA ) ( resid 44 and name C ) 1.000 -63.000 30.000 2 !PHI J=7.4 -- good
assign ( resid 44 and name C ) ( resid 45 and name N )
       ( resid 45 and name CA ) ( resid 45 and name C ) 1.000 -65.000 30.000 2 !PHI -- good
assign ( resid 45 and name C ) ( resid 46 and name N )
       ( resid 46 and name CA ) ( resid 46 and name C ) 1.000 -98.000 30.000 2 !PHI J=9.2 -- good
assign ( resid 46 and name C ) ( resid 47 and name N )
       ( resid 47 and name CA ) ( resid 47 and name C ) 1.000 60.000 60.000 2 !PHI J=7.6 -- good, but variable
!assign ( resid 47 and name C ) ( resid 48 and name N )
!       ( resid 48 and name CA ) ( resid 48 and name C ) 1.000 -102.000 30.000 2 !PHI - bad
assign ( resid 48 and name C ) ( resid 49 and name N )
       ( resid 49 and name CA ) ( resid 49 and name C ) 1.000 -66.000 45.000 2 !PHI -- just SHIFTOR
!assign ( resid 49 and name C ) ( resid 50 and name N )
!       ( resid 50 and name CA ) ( resid 50 and name C ) 1.000 -80.000 30.000 2 !PHI -- bad
assign ( resid 50 and name C ) ( resid 51 and name N )
       ( resid 51 and name CA ) ( resid 51 and name C ) 1.000 -90.000 45.000 2 !PHI -- just TALOS
assign ( resid 51 and name C ) ( resid 52 and name N )
       ( resid 52 and name CA ) ( resid 52 and name C ) 1.000 -88.000 30.000 2 !PHI J=9.0 -- good
assign ( resid 52 and name C ) ( resid 53 and name N )
       ( resid 53 and name CA ) ( resid 53 and name C ) 1.000 -61.000 30.000 2 !PHI J=4.5 -- helix?
assign ( resid 53 and name C ) ( resid 54 and name N )
       ( resid 54 and name CA ) ( resid 54 and name C ) 1.000 -63.000 30.000 2 !PHI -- helix?
assign ( resid 54 and name C ) ( resid 55 and name N )
       ( resid 55 and name CA ) ( resid 55 and name C ) 1.000 -68.000 30.000 2 !PHI J=6.2 -- helix?
assign ( resid 55 and name C ) ( resid 56 and name N )
       ( resid 56 and name CA ) ( resid 56 and name C ) 1.000 -100.000 30.000 2 !PHI J=9.9 -- all agree, use TALOS (better confidence)
!assign ( resid 56 and name C ) ( resid 57 and name N )
!       ( resid 57 and name CA ) ( resid 57 and name C ) 1.000 -63.000 30.000 2 !PHI J=3.1 -- don't agreee
assign ( resid 57 and name C ) ( resid 58 and name N )
       ( resid 58 and name CA ) ( resid 58 and name C ) 1.000 -91.000 60.000 2 !PHI J=9.7 -- only SHIFTOR
assign ( resid 58 and name C ) ( resid 59 and name N )
       ( resid 59 and name CA ) ( resid 59 and name C ) 1.000 -83.000 45.000 2 !PHI J=9.4 -- good TALOS
assign ( resid 59 and name C ) ( resid 60 and name N )
       ( resid 60 and name CA ) ( resid 60 and name C ) 1.000 -122.000 60.000 2 !PHI J=9.8 -- just TALOS
assign ( resid 60 and name C ) ( resid 61 and name N )
       ( resid 61 and name CA ) ( resid 61 and name C ) 1.000 -65.000 30.000 2 !PHI J=6.2 a-helix
assign ( resid 61 and name C ) ( resid 62 and name N )
       ( resid 62 and name CA ) ( resid 62 and name C ) 1.000 -64.000 30.000 2 !PHI J=4.7 a-helix
assign ( resid 62 and name C ) ( resid 63 and name N )
       ( resid 63 and name CA ) ( resid 63 and name C ) 1.000 -65.000 30.000 2 !PHI a-helix
assign ( resid 63 and name C ) ( resid 64 and name N )
       ( resid 64 and name CA ) ( resid 64 and name C ) 1.000 -64.000 30.000 2 !PHI J=3.4 a-helix
assign ( resid 64 and name C ) ( resid 65 and name N )
       ( resid 65 and name CA ) ( resid 65 and name C ) 1.000 -66.000 30.000 2 !PHI J=5.5 a-helix
!assign ( resid 65 and name C ) ( resid 66 and name N )
!       ( resid 66 and name CA ) ( resid 66 and name C ) 1.000 -84.000 30.000 2 !PHI J=9.9 -- good SHIFTOR, bad TALOS, J doesn't agree
!assign ( resid 66 and name C ) ( resid 67 and name N )
!       ( resid 67 and name CA ) ( resid 67 and name C ) 1.000 -78.000 30.000 2 !PHI J=5.4 -- bad SHIFTOR, TALOS  J?
assign ( resid 67 and name C ) ( resid 68 and name N )
       ( resid 68 and name CA ) ( resid 68 and name C ) 1.000 -108.000 30.000 2 !PHI J=9.3 -- just TALOS (but SHIFTOR agrees)
assign ( resid 68 and name C ) ( resid 69 and name N )
       ( resid 69 and name CA ) ( resid 69 and name C ) 1.000 -61.000 30.000 2 !PHI J=3.7 a-helix
assign ( resid 69 and name C ) ( resid 70 and name N )
       ( resid 70 and name CA ) ( resid 70 and name C ) 1.000 -64.000 30.000 2 !PHI J=4.6 a-helix
assign ( resid 70 and name C ) ( resid 71 and name N )
       ( resid 71 and name CA ) ( resid 71 and name C ) 1.000 -64.000 30.000 2 !PHI a-helix
assign ( resid 71 and name C ) ( resid 72 and name N )
       ( resid 72 and name CA ) ( resid 72 and name C ) 1.000 -63.000 30.000 2 !PHI J=5.3 a-helix
assign ( resid 72 and name C ) ( resid 73 and name N )
       ( resid 73 and name CA ) ( resid 73 and name C ) 1.000 -67.000 30.000 2 !PHI J=4.9 a-helix
assign ( resid 73 and name C ) ( resid 74 and name N )
       ( resid 74 and name CA ) ( resid 74 and name C ) 1.000 -66.000 60.000 2 !PHI J=7.5 -- not 'quite' helix
!assign ( resid 74 and name C ) ( resid 75 and name N )
!       ( resid 75 and name CA ) ( resid 75 and name C ) 1.000 -94.000 30.000 2 !PHI J=11.9 -- not good agreement or confidence
!assign ( resid 75 and name C ) ( resid 76 and name N )
!       ( resid 76 and name CA ) ( resid 76 and name C ) 1.000 -126.000 45.000 2 !PHI J=8.2 -- good prediction, some variance
!assign ( resid 76 and name C ) ( resid 77 and name N )
!       ( resid 77 and name CA ) ( resid 77 and name C ) 1.000 -80.000 30.000 2 !PHI -- too much variation
!assign ( resid 77 and name C ) ( resid 78 and name N )
!       ( resid 78 and name CA ) ( resid 78 and name C ) 1.000 -61.000 30.000 2 !PHI -- weak? could maybe include...
!assign ( resid 78 and name C ) ( resid 79 and name N )
!       ( resid 79 and name CA ) ( resid 79 and name C ) 1.000 -63.000 30.000 2 !PHI -- weak? could maybe include..
!assign ( resid 79 and name C ) ( resid 80 and name N )
!       ( resid 80 and name CA ) ( resid 80 and name C ) 1.000 -67.000 30.000 2 !PHI J=8.2 -- weak? could maybe include..
assign ( resid 80 and name C ) ( resid 81 and name N )
       ( resid 81 and name CA ) ( resid 81 and name C ) 1.000 -63.000 30.000 2 !PHI J=4.1 a-helix
assign ( resid 81 and name C ) ( resid 82 and name N )
       ( resid 82 and name CA ) ( resid 82 and name C ) 1.000 -62.000 30.000 2 !PHI a-helix
assign ( resid 82 and name C ) ( resid 83 and name N )
       ( resid 83 and name CA ) ( resid 83 and name C ) 1.000 -67.000 30.000 2 !PHI J=6.0 a-helix
assign ( resid 83 and name C ) ( resid 84 and name N )
       ( resid 84 and name CA ) ( resid 84 and name C ) 1.000 -63.000 30.000 2 !PHI a-helix
assign ( resid 84 and name C ) ( resid 85 and name N )
       ( resid 85 and name CA ) ( resid 85 and name C ) 1.000 -64.000 30.000 2 !PHI J=4.5 a-helix
assign ( resid 85 and name C ) ( resid 86 and name N )
       ( resid 86 and name CA ) ( resid 86 and name C ) 1.000 -63.000 30.000 2 !PHI J=5.6 a-helix
assign ( resid 86 and name C ) ( resid 87 and name N )
       ( resid 87 and name CA ) ( resid 87 and name C ) 1.000 -65.000 30.000 2 !PHI a-helix
assign ( resid 87 and name C ) ( resid 88 and name N )
       ( resid 88 and name CA ) ( resid 88 and name C ) 1.000 -63.000 30.000 2 !PHI J=4.6 a-helix
assign ( resid 88 and name C ) ( resid 89 and name N )
       ( resid 89 and name CA ) ( resid 89 and name C ) 1.000 -62.000 30.000 2 !PHI a-helix
assign ( resid 89 and name C ) ( resid 90 and name N )
       ( resid 90 and name CA ) ( resid 90 and name C ) 1.000 -65.000 30.000 2 !PHI J=5.4 a-helix
assign ( resid 90 and name C ) ( resid 91 and name N )
       ( resid 91 and name CA ) ( resid 91 and name C ) 1.000 -62.000 30.000 2 !PHI J=5.1 a-helix
assign ( resid 91 and name C ) ( resid 92 and name N )
       ( resid 92 and name CA ) ( resid 92 and name C ) 1.000 -65.000 30.000 2 !PHI J=6.5 a-helix
assign ( resid 92 and name C ) ( resid 93 and name N )
       ( resid 93 and name CA ) ( resid 93 and name C ) 1.000 -86.000 30.000 2 !PHI J=7.8 -- SHIFTOR and J only
!
!psi_angles -- TALOS and SHIFTOR predictions
!
!assign ( resid 21 and name N ) ( resid 21 and name CA )
!       ( resid 21 and name C ) ( resid 22 and name N ) 1.000 125.000 45.000 2 !PSI -- just TALOS
!assign ( resid 22 and name N ) ( resid 22 and name CA )
!       ( resid 22 and name C ) ( resid 23 and name N ) 1.000 128.000 30.000 2 !PSI -- bad confidence
!assign ( resid 23 and name N ) ( resid 23 and name CA )
!       ( resid 23 and name C ) ( resid 24 and name N ) 1.000 152.000 30.000 2 !PSI -- bad confidence
assign ( resid 24 and name N ) ( resid 24 and name CA )
       ( resid 24 and name C ) ( resid 25 and name N ) 1.000 140.000 60.000 2 !PSI -- just SHIFTOR (and not completely great...)
!assign ( resid 25 and name N ) ( resid 25 and name CA )
!       ( resid 25 and name C ) ( resid 26 and name N ) 1.000 -33.000 30.000 2 !PSI -- bad confidence
!assign ( resid 26 and name N ) ( resid 26 and name CA )
!       ( resid 26 and name C ) ( resid 27 and name N ) 1.000 117.000 30.000 2 !PSI -- VERY BAD
!assign ( resid 27 and name N ) ( resid 27 and name CA )
!       ( resid 27 and name C ) ( resid 28 and name N ) 1.000 146.000 30.000 2 !PSI -- not great agreement
assign ( resid 28 and name N ) ( resid 28 and name CA )
       ( resid 28 and name C ) ( resid 29 and name N ) 1.000 -39.000 45.000 2 !PSI -- good agreement
!assign ( resid 29 and name N ) ( resid 29 and name CA )
!       ( resid 29 and name C ) ( resid 30 and name N ) 1.000 -15.000 30.000 2 !PSI -- not great
assign ( resid 30 and name N ) ( resid 30 and name CA )
       ( resid 30 and name C ) ( resid 31 and name N ) 1.000 138.000 60.000 2 !PSI -- good agreement, OK confidence
assign ( resid 31 and name N ) ( resid 31 and name CA )
       ( resid 31 and name C ) ( resid 32 and name N ) 1.000 168.000 60.000 2 !PSI -- good agreement, OK confidence
assign ( resid 32 and name N ) ( resid 32 and name CA )
       ( resid 32 and name C ) ( resid 33 and name N ) 1.000 -33.000 30.000 2 !PSI a-helix
assign ( resid 33 and name N ) ( resid 33 and name CA )
       ( resid 33 and name C ) ( resid 34 and name N ) 1.000 -41.000 30.000 2 !PSI a-helix
assign ( resid 34 and name N ) ( resid 34 and name CA )
       ( resid 34 and name C ) ( resid 35 and name N ) 1.000 -47.000 30.000 2 !PSI a-helix
assign ( resid 35 and name N ) ( resid 35 and name CA )
       ( resid 35 and name C ) ( resid 36 and name N ) 1.000 -44.000 30.000 2 !PSI a-helix
assign ( resid 36 and name N ) ( resid 36 and name CA )
       ( resid 36 and name C ) ( resid 37 and name N ) 1.000 -41.000 30.000 2 !PSI a-helix
assign ( resid 37 and name N ) ( resid 37 and name CA )
       ( resid 37 and name C ) ( resid 38 and name N ) 1.000 -44.000 30.000 2 !PSI a-helix
assign ( resid 38 and name N ) ( resid 38 and name CA )
       ( resid 38 and name C ) ( resid 39 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 39 and name N ) ( resid 39 and name CA )
       ( resid 39 and name C ) ( resid 40 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 40 and name N ) ( resid 40 and name CA )
       ( resid 40 and name C ) ( resid 41 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 41 and name N ) ( resid 41 and name CA )
       ( resid 41 and name C ) ( resid 42 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 42 and name N ) ( resid 42 and name CA )
       ( resid 42 and name C ) ( resid 43 and name N ) 1.000 -40.000 30.000 2 !PSI a-helix
assign ( resid 43 and name N ) ( resid 43 and name CA )
       ( resid 43 and name C ) ( resid 44 and name N ) 1.000 -40.000 30.000 2 !PSI a-helix
assign ( resid 44 and name N ) ( resid 44 and name CA )
       ( resid 44 and name C ) ( resid 45 and name N ) 1.000 -41.000 30.000 2 !PSI -- both good, could be helix?
assign ( resid 45 and name N ) ( resid 45 and name CA )
       ( resid 45 and name C ) ( resid 46 and name N ) 1.000 -34.000 30.000 2 !PSI -- both good, could be helix?
assign ( resid 46 and name N ) ( resid 46 and name CA )
       ( resid 46 and name C ) ( resid 47 and name N ) 1.000 6.000 30.000 2 !PSI -- both good
assign ( resid 47 and name N ) ( resid 47 and name CA )
       ( resid 47 and name C ) ( resid 48 and name N ) 1.000 28.000 45.000 2 !PSI -- good agreement, some variance
!assign ( resid 48 and name N ) ( resid 48 and name CA )
!       ( resid 48 and name C ) ( resid 49 and name N ) 1.000 134.000 30.000 2 !PSI -- VERY BAD
!assign ( resid 49 and name N ) ( resid 49 and name CA )
!       ( resid 49 and name C ) ( resid 50 and name N ) 1.000 138.000 30.000 2 !PSI -- BAD
!assign ( resid 50 and name N ) ( resid 50 and name CA )
!       ( resid 50 and name C ) ( resid 51 and name N ) 1.000 67.000 30.000 2 !PSI -- VERY BAD
assign ( resid 51 and name N ) ( resid 51 and name CA )
       ( resid 51 and name C ) ( resid 52 and name N ) 1.000 127.000 45.000 2 !PSI -- good agreement, some variance
!assign ( resid 52 and name N ) ( resid 52 and name CA )
!      ( resid 52 and name C ) ( resid 53 and name N ) 1.000 119.000 30.000 2 !PSI -- bad agreement
!assign ( resid 53 and name N ) ( resid 53 and name CA )
!       ( resid 53 and name C ) ( resid 54 and name N ) 1.000 -33.000 30.000 2 !PSI -- helix?
!assign ( resid 54 and name N ) ( resid 54 and name CA )
!       ( resid 54 and name C ) ( resid 55 and name N ) 1.000 -38.000 30.000 2 !PSI -- helix?
!assign ( resid 55 and name N ) ( resid 55 and name CA )
!       ( resid 55 and name C ) ( resid 56 and name N ) 1.000 -29.000 30.000 2 !PSI -- helix?
assign ( resid 56 and name N ) ( resid 56 and name CA )
       ( resid 56 and name C ) ( resid 57 and name N ) 1.000 -9.000 45.000 2 !PSI -- good, but some variance
!assign ( resid 57 and name N ) ( resid 57 and name CA )
!       ( resid 57 and name C ) ( resid 58 and name N ) 1.000 -32.000 30.000 2 !PSI -- not good
!assign ( resid 58 and name N ) ( resid 58 and name CA )
!       ( resid 58 and name C ) ( resid 59 and name N ) 1.000 -69.000 30.000 2 !PSI -- VERY BAD
assign ( resid 59 and name N ) ( resid 59 and name CA )
       ( resid 59 and name C ) ( resid 60 and name N ) 1.000 136.000 60.000 2 !PSI -- good agreement, some variance
!assign ( resid 60 and name N ) ( resid 60 and name CA )
!       ( resid 60 and name C ) ( resid 61 and name N ) 1.000 125.000 30.000 2 !PSI -- bad
assign ( resid 61 and name N ) ( resid 61 and name CA )
       ( resid 61 and name C ) ( resid 62 and name N ) 1.000 -35.000 30.000 2 !PHI a-helix
assign ( resid 62 and name N ) ( resid 62 and name CA )
       ( resid 62 and name C ) ( resid 63 and name N ) 1.000 -43.000 30.000 2 !PSI a-helix
assign ( resid 63 and name N ) ( resid 63 and name CA )
       ( resid 63 and name C ) ( resid 64 and name N ) 1.000 -41.000 30.000 2 !PSI a-helix
assign ( resid 64 and name N ) ( resid 64 and name CA )
       ( resid 64 and name C ) ( resid 65 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 65 and name N ) ( resid 65 and name CA )
       ( resid 65 and name C ) ( resid 66 and name N ) 1.000 -37.000 30.000 2 !PSI a-helix
!assign ( resid 66 and name N ) ( resid 66 and name CA )
!      ( resid 66 and name C ) ( resid 67 and name N ) 1.000 -15.000 30.000 2 !PSI -- not great
!assign ( resid 67 and name N ) ( resid 67 and name CA )
!       ( resid 67 and name C ) ( resid 68 and name N ) 1.000 141.000 30.000 2 !PSI -- BAD!
assign ( resid 68 and name N ) ( resid 68 and name CA )
       ( resid 68 and name C ) ( resid 69 and name N ) 1.000 170.000 45.000 2 !PSI -- good agreement, some variance
assign ( resid 69 and name N ) ( resid 69 and name CA )
       ( resid 69 and name C ) ( resid 70 and name N ) 1.000 -37.000 30.000 2 !PSI a-helix
assign ( resid 70 and name N ) ( resid 70 and name CA )
       ( resid 70 and name C ) ( resid 71 and name N ) 1.000 -38.000 30.000 2 !PSI a-helix
assign ( resid 71 and name N ) ( resid 71 and name CA )
       ( resid 71 and name C ) ( resid 72 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 72 and name N ) ( resid 72 and name CA )
       ( resid 72 and name C ) ( resid 73 and name N ) 1.000 -40.000 30.000 2 !PSI a-helix
assign ( resid 73 and name N ) ( resid 73 and name CA )
       ( resid 73 and name C ) ( resid 74 and name N ) 1.000 -35.000 30.000 2 !PSI a=helix
assign ( resid 74 and name N ) ( resid 74 and name CA )
       ( resid 74 and name C ) ( resid 75 and name N ) 1.000 -28.000 30.000 2 !PSI -- good
!assign ( resid 75 and name N ) ( resid 75 and name CA )
!       ( resid 75 and name C ) ( resid 76 and name N ) 1.000 -18.000 30.000 2 !PSI -- BAD
!assign ( resid 76 and name N ) ( resid 76 and name CA )
!      ( resid 76 and name C ) ( resid 77 and name N ) 1.000 138.000 30.000 2 !PSI -- not good (could use TALOS only...)
!assign ( resid 77 and name N ) ( resid 77 and name CA )
!       ( resid 77 and name C ) ( resid 78 and name N ) 1.000 140.000 30.000 2 !PSI -- BAD
!assign ( resid 78 and name N ) ( resid 78 and name CA )
!       ( resid 78 and name C ) ( resid 79 and name N ) 1.000 -32.000 30.000 2 !PSI -- good
!assign ( resid 79 and name N ) ( resid 79 and name CA )
!       ( resid 79 and name C ) ( resid 80 and name N ) 1.000 -41.000 30.000 2 !PSI -- good
!assign ( resid 80 and name N ) ( resid 80 and name CA )
!       ( resid 80 and name C ) ( resid 81 and name N ) 1.000 -37.000 45.000 2 !PSI -- OK
assign ( resid 81 and name N ) ( resid 81 and name CA )
       ( resid 81 and name C ) ( resid 82 and name N ) 1.000 -44.000 30.000 2 !PSI a-helix
assign ( resid 82 and name N ) ( resid 82 and name CA )
       ( resid 82 and name C ) ( resid 83 and name N ) 1.000 -43.000 30.000 2 !PSI a-helix
assign ( resid 83 and name N ) ( resid 83 and name CA )
       ( resid 83 and name C ) ( resid 84 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 84 and name N ) ( resid 84 and name CA )
       ( resid 84 and name C ) ( resid 85 and name N ) 1.000 -41.000 30.000 2 !PSI a-helix
assign ( resid 85 and name N ) ( resid 85 and name CA )
       ( resid 85 and name C ) ( resid 86 and name N ) 1.000 -43.000 30.000 2 !PSI a-helix
assign ( resid 86 and name N ) ( resid 86 and name CA )
       ( resid 86 and name C ) ( resid 87 and name N ) 1.000 -39.000 30.000 2 !PSI a-helix
assign ( resid 87 and name N ) ( resid 87 and name CA )
       ( resid 87 and name C ) ( resid 88 and name N ) 1.000 -44.000 30.000 2 !PSI a-helix
assign ( resid 88 and name N ) ( resid 88 and name CA )
       ( resid 88 and name C ) ( resid 89 and name N ) 1.000 -41.000 30.000 2 !PSI a-helix
assign ( resid 89 and name N ) ( resid 89 and name CA )
       ( resid 89 and name C ) ( resid 90 and name N ) 1.000 -44.000 30.000 2 !PSI a-helix
assign ( resid 90 and name N ) ( resid 90 and name CA )
       ( resid 90 and name C ) ( resid 91 and name N ) 1.000 -38.000 30.000 2 !PSI a-helix
assign ( resid 91 and name N ) ( resid 91 and name CA )
       ( resid 91 and name C ) ( resid 92 and name N ) 1.000 -37.000 30.000 2 !PSI a-helix
assign ( resid 92 and name N ) ( resid 92 and name CA )
       ( resid 92 and name C ) ( resid 93 and name N ) 1.000 -33.000 30.000 2 !PSI a-helix

! 3Dim peaks from experiment 15n13cerg_noesyaro.mat
! peaks entity xpk:aronoesy
! rough distances bound limits as distance = (&mycal/(volume^(1/6))
!# peak 229-----------------------------------------------
assi (attr store1 < 7.201 and attr store1 > 7.081)
    ((attr store1 < 7.740 and attr store1 > 7.680)
     and bondedto (attr store1 < 137.930 and attr store1 > 137.330))
6 6 0 peak 229 volume 26398208 hpm1 137.630 ppm1 7.710 ppm2 7.141
!# peak 236-----------------------------------------------
assi (attr store1 < 6.612 and attr store1 > 6.492)
    ((attr store1 < 7.762 and attr store1 > 7.702)
     and bondedto (attr store1 < 137.984 and attr store1 > 137.384))
6 6 0 peak 236 volume 11977750 hpm1 137.684 ppm1 7.732 ppm2 6.552
!# peak 251-----------------------------------------------
assi (attr store1 < 4.790 and attr store1 > 4.670)
    ((attr store1 < 7.960 and attr store1 > 7.900)
     and bondedto (attr store1 < 138.159 and attr store1 > 137.559))
6 6 0 peak 251 volume 21574490 hpm1 137.859 ppm1 7.930 ppm2 4.730
!# peak 253-----------------------------------------------
assi (attr store1 < 4.790 and attr store1 > 4.670)
    ((attr store1 < 7.740 and attr store1 > 7.680)
     and bondedto (attr store1 < 137.983 and attr store1 > 137.383))
6 6 0 peak 253 volume 24885620 hpm1 137.683 ppm1 7.710 ppm2 4.730
!# peak 668-----------------------------------------------
assi (attr store1 < 6.889 and attr store1 > 6.769)
    ((attr store1 < 7.123 and attr store1 > 7.063)
     and bondedto (attr store1 < 133.794 and attr store1 > 133.194))
6 6 0 peak 668 volume 1706944000 hpm1 133.494 ppm1 7.093 ppm2 6.829
!# peak 699-----------------------------------------------
assi (attr store1 < 4.788 and attr store1 > 4.668)
    ((attr store1 < 7.126 and attr store1 > 7.066)
     and bondedto (attr store1 < 133.845 and attr store1 > 133.245))
6 6 0 peak 699 volume 57126152 hpm1 133.545 ppm1 7.096 ppm2 4.728
!# peak 721-----------------------------------------------
assi (attr store1 < 8.103 and attr store1 > 7.983)
    ((attr store1 < 7.105 and attr store1 > 7.045)
     and bondedto (attr store1 < 133.466 and attr store1 > 132.866))
6 6 0 peak 721 volume 126083600 hpm1 133.166 ppm1 7.075 ppm2 8.043
!# peak 724-----------------------------------------------
assi (attr store1 < 7.846 and attr store1 > 7.726)
    ((attr store1 < 7.104 and attr store1 > 7.044)
     and bondedto (attr store1 < 133.482 and attr store1 > 132.882))
6 6 0 peak 724 volume 105322200 hpm1 133.182 ppm1 7.074 ppm2 7.786
!# peak 765-----------------------------------------------
assi (attr store1 < 7.981 and attr store1 > 7.861)
    ((attr store1 < 7.168 and attr store1 > 7.108)
     and bondedto (attr store1 < 132.966 and attr store1 > 132.366))
6 6 0 peak 765 volume 158835600 hpm1 132.666 ppm1 7.138 ppm2 7.921
!# peak 770-----------------------------------------------
assi (attr store1 < 7.709 and attr store1 > 7.589)
    ((attr store1 < 7.169 and attr store1 > 7.109)
     and bondedto (attr store1 < 132.959 and attr store1 > 132.359))
6 6 0 peak 770 volume 25532020 hpm1 132.659 ppm1 7.139 ppm2 7.649
!# peak 812-----------------------------------------------
assi (attr store1 < 7.885 and attr store1 > 7.765)
    ((attr store1 < 6.875 and attr store1 > 6.815)
     and bondedto (attr store1 < 132.611 and attr store1 > 132.011))
6 6 0 peak 812 volume 54450500 hpm1 132.311 ppm1 6.845 ppm2 7.825
!# peak 830-----------------------------------------------
assi (attr store1 < 6.571 and attr store1 > 6.451)
    ((attr store1 < 6.874 and attr store1 > 6.814)
     and bondedto (attr store1 < 132.595 and attr store1 > 131.995))
6 6 0 peak 830 volume 403788672 hpm1 132.295 ppm1 6.844 ppm2 6.511
!# peak 974-----------------------------------------------
assi (attr store1 < 8.507 and attr store1 > 8.387)
    ((attr store1 < 7.344 and attr store1 > 7.284)
     and bondedto (attr store1 < 131.350 and attr store1 > 130.750))
6 6 0 peak 974 volume 17172470 hpm1 131.050 ppm1 7.314 ppm2 8.447
!# peak 984-----------------------------------------------
assi (attr store1 < 7.430 and attr store1 > 7.310)
    ((attr store1 < 6.987 and attr store1 > 6.927)
     and bondedto (attr store1 < 131.207 and attr store1 > 130.607))
6 6 0 peak 984 volume 327024704 hpm1 130.907 ppm1 6.957 ppm2 7.370
!# peak 993-----------------------------------------------
assi (attr store1 < 7.017 and attr store1 > 6.897)
    ((attr store1 < 7.350 and attr store1 > 7.290)
     and bondedto (attr store1 < 131.304 and attr store1 > 130.704))
6 6 0 peak 993 volume 27767300 hpm1 131.004 ppm1 7.320 ppm2 6.957
!# peak 1026-----------------------------------------------
assi (attr store1 < 7.977 and attr store1 > 7.857)
    ((attr store1 < 6.993 and attr store1 > 6.933)
     and bondedto (attr store1 < 130.795 and attr store1 > 130.195))
6 6 0 peak 1026 volume 11473840 hpm1 130.495 ppm1 6.963 ppm2 7.917
!# peak 1237-----------------------------------------------
assi (attr store1 < 7.426 and attr store1 > 7.306)
    ((attr store1 < 6.918 and attr store1 > 6.858)
     and bondedto (attr store1 < 129.200 and attr store1 > 128.600))
6 6 0 peak 1237 volume 164933808 hpm1 128.900 ppm1 6.888 ppm2 7.366
!# peak 1404-----------------------------------------------
assi (attr store1 < 9.933 and attr store1 > 9.813)
    ((attr store1 < 7.196 and attr store1 > 7.136)
     and bondedto (attr store1 < 127.301 and attr store1 > 126.701))
6 6 0 peak 1404 volume 136182496 hpm1 127.001 ppm1 7.166 ppm2 9.873
!# peak 1464-----------------------------------------------
assi (attr store1 < 7.878 and attr store1 > 7.758)
    ((attr store1 < 7.195 and attr store1 > 7.135)
     and bondedto (attr store1 < 127.051 and attr store1 > 126.451))
6 6 0 peak 1464 volume 41443352 hpm1 126.751 ppm1 7.165 ppm2 7.818
!# peak 1467-----------------------------------------------
assi (attr store1 < 7.797 and attr store1 > 7.677)
    ((attr store1 < 7.144 and attr store1 > 7.084)
     and bondedto (attr store1 < 126.979 and attr store1 > 126.379))
6 6 0 peak 1467 volume 32208300 hpm1 126.679 ppm1 7.114 ppm2 7.737
!# peak 1502-----------------------------------------------
assi (attr store1 < 5.834 and attr store1 > 5.714)
    ((attr store1 < 7.144 and attr store1 > 7.084)
     and bondedto (attr store1 < 126.950 and attr store1 > 126.350))
6 6 0 peak 1502 volume 18464550 hpm1 126.650 ppm1 7.114 ppm2 5.774
!# peak 1622-----------------------------------------------
assi (attr store1 < 7.106 and attr store1 > 6.986)
    ((attr store1 < 5.765 and attr store1 > 5.705)
     and bondedto (attr store1 < 125.669 and attr store1 > 125.069))
6 6 0 peak 1622 volume 175882096 hpm1 125.369 ppm1 5.735 ppm2 7.046
!# peak 1629-----------------------------------------------
assi (attr store1 < 6.148 and attr store1 > 6.028)
    ((attr store1 < 5.782 and attr store1 > 5.722)
     and bondedto (attr store1 < 125.662 and attr store1 > 125.062))
6 6 0 peak 1629 volume 227029104 hpm1 125.362 ppm1 5.752 ppm2 6.088
!# peak 1665-----------------------------------------------
assi (attr store1 < 7.165 and attr store1 > 7.045)
    ((attr store1 < 6.097 and attr store1 > 6.037)
     and bondedto (attr store1 < 125.402 and attr store1 > 124.802))
6 6 0 peak 1665 volume 16502060 hpm1 125.102 ppm1 6.067 ppm2 7.105
!# peak 1695-----------------------------------------------
assi (attr store1 < 7.334 and attr store1 > 7.214)
    ((attr store1 < 7.056 and attr store1 > 6.996)
     and bondedto (attr store1 < 124.753 and attr store1 > 124.153))
6 6 0 peak 1695 volume 854449600 hpm1 124.453 ppm1 7.026 ppm2 7.274
!# peak 1709-----------------------------------------------
assi (attr store1 < 6.651 and attr store1 > 6.531)
    ((attr store1 < 7.058 and attr store1 > 6.998)
     and bondedto (attr store1 < 124.760 and attr store1 > 124.160))
6 6 0 peak 1709 volume 173677696 hpm1 124.460 ppm1 7.028 ppm2 6.591
!# peak 1728-----------------------------------------------
assi (attr store1 < 4.785 and attr store1 > 4.665)
    ((attr store1 < 7.058 and attr store1 > 6.998)
     and bondedto (attr store1 < 124.722 and attr store1 > 124.122))
6 6 0 peak 1728 volume 10691430 hpm1 124.422 ppm1 7.028 ppm2 4.725
!# peak 1817-----------------------------------------------
assi (attr store1 < 9.653 and attr store1 > 9.533)
    ((attr store1 < 6.306 and attr store1 > 6.246)
     and bondedto (attr store1 < 123.535 and attr store1 > 122.935))
6 6 0 peak 1817 volume 10536780 hpm1 123.235 ppm1 6.276 ppm2 9.593
!# peak 1824-----------------------------------------------
assi (attr store1 < 8.569 and attr store1 > 8.449)
    ((attr store1 < 7.141 and attr store1 > 7.081)
     and bondedto (attr store1 < 123.599 and attr store1 > 122.999))
6 6 0 peak 1824 volume 10548810 hpm1 123.299 ppm1 7.111 ppm2 8.509
!# peak 1830-----------------------------------------------
assi (attr store1 < 7.844 and attr store1 > 7.724)
    ((attr store1 < 7.128 and attr store1 > 7.068)
     and bondedto (attr store1 < 123.632 and attr store1 > 123.032))
6 6 0 peak 1830 volume 182543200 hpm1 123.332 ppm1 7.098 ppm2 7.784
!# peak 1923-----------------------------------------------
assi (attr store1 < 6.143 and attr store1 > 6.023)
    ((attr store1 < 7.164 and attr store1 > 7.104)
     and bondedto (attr store1 < 122.736 and attr store1 > 122.136))
6 6 0 peak 1923 volume 2322630 hpm1 122.436 ppm1 7.134 ppm2 6.083
!# peak 1935-----------------------------------------------
assi (attr store1 < 10.297 and attr store1 > 10.177)
    ((attr store1 < 6.370 and attr store1 > 6.310)
     and bondedto (attr store1 < 122.342 and attr store1 > 121.742))
6 6 0 peak 1935 volume 104488400 hpm1 122.042 ppm1 6.340 ppm2 10.237
!# peak 1962-----------------------------------------------
assi (attr store1 < 7.881 and attr store1 > 7.761)
    ((attr store1 < 6.986 and attr store1 > 6.926)
     and bondedto (attr store1 < 122.185 and attr store1 > 121.585))
6 6 0 peak 1962 volume 116101896 hpm1 121.885 ppm1 6.956 ppm2 7.821
!# peak 1966-----------------------------------------------
assi (attr store1 < 7.567 and attr store1 > 7.447)
    ((attr store1 < 6.369 and attr store1 > 6.309)
     and bondedto (attr store1 < 122.339 and attr store1 > 121.739))
6 6 0 peak 1966 volume 63020880 hpm1 122.039 ppm1 6.339 ppm2 7.507
!# peak 1980-----------------------------------------------
assi (attr store1 < 7.068 and attr store1 > 6.948)
    ((attr store1 < 7.827 and attr store1 > 7.767)
     and bondedto (attr store1 < 122.226 and attr store1 > 121.626))
6 6 0 peak 1980 volume 8002758 hpm1 121.926 ppm1 7.797 ppm2 7.008
!# peak 1982-----------------------------------------------
assi (attr store1 < 6.651 and attr store1 > 6.531)
    ((attr store1 < 7.284 and attr store1 > 7.224)
     and bondedto (attr store1 < 122.256 and attr store1 > 121.656))
6 6 0 peak 1982 volume 45236160 hpm1 121.956 ppm1 7.254 ppm2 6.591
!# peak 1993-----------------------------------------------
assi (attr store1 < 5.645 and attr store1 > 5.525)
    ((attr store1 < 6.370 and attr store1 > 6.310)
     and bondedto (attr store1 < 122.338 and attr store1 > 121.738))
6 6 0 peak 1993 volume 101514600 hpm1 122.038 ppm1 6.340 ppm2 5.585
!# peak 1999-----------------------------------------------
assi (attr store1 < 4.785 and attr store1 > 4.665)
    ((attr store1 < 6.352 and attr store1 > 6.292)
     and bondedto (attr store1 < 122.281 and attr store1 > 121.681))
6 6 0 peak 1999 volume 11834330 hpm1 121.981 ppm1 6.322 ppm2 4.725
!# peak 2020-----------------------------------------------
assi (attr store1 < 7.879 and attr store1 > 7.759)
    ((attr store1 < 6.082 and attr store1 > 6.022)
     and bondedto (attr store1 < 121.991 and attr store1 > 121.391))
6 6 0 peak 2020 volume 39085428 hpm1 121.691 ppm1 6.052 ppm2 7.819
!# peak 2021-----------------------------------------------
assi (attr store1 < 7.745 and attr store1 > 7.625)
    ((attr store1 < 7.183 and attr store1 > 7.123)
     and bondedto (attr store1 < 121.829 and attr store1 > 121.229))
6 6 0 peak 2021 volume 12776390 hpm1 121.529 ppm1 7.153 ppm2 7.685
!# peak 2053-----------------------------------------------
assi (attr store1 < 5.837 and attr store1 > 5.717)
    ((attr store1 < 6.083 and attr store1 > 6.023)
     and bondedto (attr store1 < 121.986 and attr store1 > 121.386))
6 6 0 peak 2053 volume 185240112 hpm1 121.686 ppm1 6.053 ppm2 5.777
!# peak 2092-----------------------------------------------
assi (attr store1 < 7.113 and attr store1 > 6.993)
    ((attr store1 < 6.602 and attr store1 > 6.542)
     and bondedto (attr store1 < 121.485 and attr store1 > 120.885))
6 6 0 peak 2092 volume 201707904 hpm1 121.185 ppm1 6.572 ppm2 7.053
!# peak 2145-----------------------------------------------
assi (attr store1 < 7.337 and attr store1 > 7.217)
    ((attr store1 < 6.602 and attr store1 > 6.542)
     and bondedto (attr store1 < 121.468 and attr store1 > 120.968))
6 6 0 peak 2145 volume 218556496 hpm1 120.868 ppm1 6.572 ppm2 7.277
!# peak 2149-----------------------------------------------
assi (attr store1 < 7.159 and attr store1 > 7.039)
    ((attr store1 < 7.829 and attr store1 > 7.769)
     and bondedto (attr store1 < 121.052 and attr store1 > 120.452))
6 6 0 peak 2149 volume 149755408 hpm1 120.752 ppm1 7.799 ppm2 7.099
!# peak 2153-----------------------------------------------
assi (attr store1 < 6.652 and attr store1 > 6.532)
    ((attr store1 < 7.284 and attr store1 > 7.224)
     and bondedto (attr store1 < 121.064 and attr store1 > 120.420))
6 6 0 peak 2153 volume 148739296 hpm1 120.764 ppm1 7.254 ppm2 6.592
!# peak 2180-----------------------------------------------
assi (attr store1 < 9.146 and attr store1 > 9.026)
    ((attr store1 < 7.285 and attr store1 > 7.225)
     and bondedto (attr store1 < 120.673 and attr store1 > 120.073))
6 6 0 peak 2180 volume 36392332 hpm1 120.373 ppm1 7.255 ppm2 9.086
!# peak 2182-----------------------------------------------
assi (attr store1 < 8.740 and attr store1 > 8.620)
    ((attr store1 < 7.827 and attr store1 > 7.767)
     and bondedto (attr store1 < 120.652 and attr store1 > 120.052))
6 6 0 peak 2182 volume 57221560 hpm1 120.352 ppm1 7.797 ppm2 8.680
!# peak 2205-----------------------------------------------
assi (attr store1 < 6.150 and attr store1 > 6.030)
    ((attr store1 < 7.828 and attr store1 > 7.768)
     and bondedto (attr store1 < 120.633 and attr store1 > 120.033))
6 6 0 peak 2205 volume 40069400 hpm1 120.333 ppm1 7.798 ppm2 6.090
!# peak 2250-----------------------------------------------
assi (attr store1 < 7.882 and attr store1 > 7.762)
    ((attr store1 < 6.981 and attr store1 > 6.921)
     and bondedto (attr store1 < 120.170 and attr store1 > 119.570))
6 6 0 peak 2250 volume 66684592 hpm1 119.870 ppm1 6.951 ppm2 7.822
!# peak 2264-----------------------------------------------
assi (attr store1 < 7.111 and attr store1 > 6.991)
    ((attr store1 < 7.260 and attr store1 > 7.200)
     and bondedto (attr store1 < 120.244 and attr store1 > 119.644))
6 6 0 peak 2264 volume 892887616 hpm1 119.944 ppm1 7.230 ppm2 7.051
!# peak 2324-----------------------------------------------
assi (attr store1 < 8.750 and attr store1 > 8.630)
    ((attr store1 < 7.165 and attr store1 > 7.105)
     and bondedto (attr store1 < 119.801 and attr store1 > 119.201))
6 6 0 peak 2324 volume 23497120 hpm1 119.501 ppm1 7.135 ppm2 8.690
!# peak 2329-----------------------------------------------
assi (attr store1 < 8.331 and attr store1 > 8.211)
    ((attr store1 < 6.924 and attr store1 > 6.864)
     and bondedto (attr store1 < 119.639 and attr store1 > 119.039))
6 6 0 peak 2329 volume 16855730 hpm1 119.339 ppm1 6.894 ppm2 8.271
!# peak 2333-----------------------------------------------
assi (attr store1 < 8.112 and attr store1 > 7.992)
    ((attr store1 < 7.151 and attr store1 > 7.091)
     and bondedto (attr store1 < 119.707 and attr store1 > 119.107))
6 6 0 peak 2333 volume 41025580 hpm1 119.407 ppm1 7.121 ppm2 8.052
!# peak 2361-----------------------------------------------
assi (attr store1 < 6.148 and attr store1 > 6.028)
    ((attr store1 < 7.165 and attr store1 > 7.105)
     and bondedto (attr store1 < 119.824 and attr store1 > 119.224))
6 6 0 peak 2361 volume 149794912 hpm1 119.524 ppm1 7.135 ppm2 6.088
!# peak 2362-----------------------------------------------
assi (attr store1 < 5.841 and attr store1 > 5.721)
    ((attr store1 < 7.165 and attr store1 > 7.105)
     and bondedto (attr store1 < 119.753 and attr store1 > 119.153))
6 6 0 peak 2362 volume 0.6740711e+07 hpm1 119.453 ppm1 7.135 ppm2 5.781
!# peak 2376-----------------------------------------------
assi (attr store1 < 4.789 and attr store1 > 4.669)
    ((attr store1 < 6.936 and attr store1 > 6.876)
     and bondedto (attr store1 < 119.643 and attr store1 > 119.043))
6 6 0 peak 2376 volume 55624748 hpm1 119.343 ppm1 6.906 ppm2 4.729
!# peak 2447-----------------------------------------------
assi (attr store1 < 4.786 and attr store1 > 4.666)
    ((attr store1 < 7.150 and attr store1 > 7.090)
     and bondedto (attr store1 < 119.356 and attr store1 > 118.756))
6 6 0 peak 2447 volume 92205432 hpm1 119.056 ppm1 7.120 ppm2 4.726
!# peak 2463-----------------------------------------------
assi (attr store1 < 7.162 and attr store1 > 7.042)
    ((attr store1 < 6.847 and attr store1 > 6.787)
     and bondedto (attr store1 < 118.781 and attr store1 > 118.181))
6 6 0 peak 2463 volume 1766418048 hpm1 118.481 ppm1 6.817 ppm2 7.102
!# peak 2503-----------------------------------------------
assi (attr store1 < 4.787 and attr store1 > 4.667)
    ((attr store1 < 6.846 and attr store1 > 6.786)
     and bondedto (attr store1 < 118.806 and attr store1 > 118.206))
6 6 0 peak 2503 volume 172293200 hpm1 118.506 ppm1 6.816 ppm2 4.727
!# peak 2516-----------------------------------------------
assi (attr store1 < 8.104 and attr store1 > 7.984)
    ((attr store1 < 6.846 and attr store1 > 6.786)
     and bondedto (attr store1 < 118.561 and attr store1 > 117.961))
6 6 0 peak 2516 volume 26141990 hpm1 118.261 ppm1 6.816 ppm2 8.044
!# peak 2523-----------------------------------------------
assi (attr store1 < 7.882 and attr store1 > 7.762)
    ((attr store1 < 6.531 and attr store1 > 6.471)
     and bondedto (attr store1 < 118.375 and attr store1 > 117.775))
6 6 0 peak 2523 volume 24709660 hpm1 118.075 ppm1 6.501 ppm2 7.822
!# peak 2649-----------------------------------------------
assi (attr store1 < 7.204 and attr store1 > 7.084)
    ((attr store1 < 6.857 and attr store1 > 6.797)
     and bondedto (attr store1 < 117.394 and attr store1 > 116.794))
6 6 0 peak 2649 volume 161008112 hpm1 117.094 ppm1 6.827 ppm2 7.144
!# peak 2907-----------------------------------------------
assi (attr store1 < 4.787 and attr store1 > 4.667)
    ((attr store1 < 6.936 and attr store1 > 6.876)
     and bondedto (attr store1 < 115.473 and attr store1 > 114.873))
6 6 0 peak 2907 volume 113598696 hpm1 115.173 ppm1 6.906 ppm2 4.727
!# peak 2962-----------------------------------------------
assi (attr store1 < 9.932 and attr store1 > 9.812)
    ((attr store1 < 7.280 and attr store1 > 7.220)
     and bondedto (attr store1 < 114.508 and attr store1 > 113.908))
6 6 0 peak 2962 volume 64674580 hpm1 114.208 ppm1 7.250 ppm2 9.872
!# peak 2969-----------------------------------------------
assi (attr store1 < 8.569 and attr store1 > 8.449)
    ((attr store1 < 7.804 and attr store1 > 7.744)
     and bondedto (attr store1 < 114.523 and attr store1 > 113.923))
6 6 0 peak 2969 volume 30348450 hpm1 114.223 ppm1 7.774 ppm2 8.509
!# peak 2977-----------------------------------------------
assi (attr store1 < 7.874 and attr store1 > 7.754)
    ((attr store1 < 7.029 and attr store1 > 6.969)
     and bondedto (attr store1 < 114.532 and attr store1 > 113.932))
6 6 0 peak 2977 volume 24598680 hpm1 114.232 ppm1 6.999 ppm2 7.814
!# peak 2993-----------------------------------------------
assi (attr store1 < 7.328 and attr store1 > 7.208)
    ((attr store1 < 7.491 and attr store1 > 7.431)
     and bondedto (attr store1 < 114.580 and attr store1 > 113.980))
6 6 0 peak 2993 volume 87210176 hpm1 114.280 ppm1 7.461 ppm2 7.268
!# peak 2995-----------------------------------------------
assi (attr store1 < 7.334 and attr store1 > 7.214)
    ((attr store1 < 7.071 and attr store1 > 7.011)
     and bondedto (attr store1 < 114.528 and attr store1 > 113.928))
6 6 0 peak 2995 volume 178463200 hpm1 114.228 ppm1 7.041 ppm2 7.274
!# peak 3001-----------------------------------------------
assi (attr store1 < 7.195 and attr store1 > 7.075)
    ((attr store1 < 7.804 and attr store1 > 7.744)
     and bondedto (attr store1 < 114.513 and attr store1 > 113.913))
6 6 0 peak 3001 volume 219769696 hpm1 114.213 ppm1 7.774 ppm2 7.135
!# peak 3002-----------------------------------------------
assi (attr store1 < 7.109 and attr store1 > 6.989)
    ((attr store1 < 7.280 and attr store1 > 7.220)
     and bondedto (attr store1 < 114.5 and attr store1 > 113.9))
6 6 0 peak 3002 volume 440285216 hpm1 114.2 ppm1 7.250 ppm2 7.049
!# peak 3005-----------------------------------------------
assi (attr store1 < 6.648 and attr store1 > 6.528)
    ((attr store1 < 7.281 and attr store1 > 7.221)
     and bondedto (attr store1 < 114.534 and attr store1 > 113.934))
6 6 0 peak 3005 volume 47483640 hpm1 114.234 ppm1 7.251 ppm2 6.588
!# peak 3007-----------------------------------------------
assi (attr store1 < 6.608 and attr store1 > 6.488)
    ((attr store1 < 7.803 and attr store1 > 7.743)
     and bondedto (attr store1 < 114.621 and attr store1 > 114.021))
6 6 0 peak 3007 volume 12415200 hpm1 114.321 ppm1 7.773 ppm2 6.548
!# peak 3024-----------------------------------------------
assi (attr store1 < 10.296 and attr store1 > 10.176)
    ((attr store1 < 7.038 and attr store1 > 6.978)
     and bondedto (attr store1 < 114.219 and attr store1 > 113.619))
6 6 0 peak 3024 volume 69817816 hpm1 113.919 ppm1 7.008 ppm2 10.236
!# peak 3049-----------------------------------------------
assi (attr store1 < 7.840 and attr store1 > 7.720)
    ((attr store1 < 7.142 and attr store1 > 7.082)
     and bondedto (attr store1 < 114.291 and attr store1 > 113.691))
6 6 0 peak 3049 volume 37059040 hpm1 113.991 ppm1 7.112 ppm2 7.780
!# peak 3078-----------------------------------------------
assi (attr store1 < 6.147 and attr store1 > 6.027)
    ((attr store1 < 7.124 and attr store1 > 7.064)
     and bondedto (attr store1 < 114.114 and attr store1 > 113.514))
6 6 0 peak 3078 volume 21170770 hpm1 113.814 ppm1 7.094 ppm2 6.087
!# peak 3079-----------------------------------------------
assi (attr store1 < 6.148 and attr store1 > 6.028)
    ((attr store1 < 7.038 and attr store1 > 6.978)
     and bondedto (attr store1 < 114.250 and attr store1 > 113.650))
6 6 0 peak 3079 volume 25087360 hpm1 113.950 ppm1 7.008 ppm2 6.088
!# peak 3083-----------------------------------------------
assi (attr store1 < 5.837 and attr store1 > 5.717)
    ((attr store1 < 7.037 and attr store1 > 6.977)
     and bondedto (attr store1 < 114.236 and attr store1 > 113.636))
6 6 0 peak 3083 volume 149437696 hpm1 113.936 ppm1 7.007 ppm2 5.777
!# peak 3482-----------------------------------------------
assi (attr store1 < 0.931 and attr store1 > 0.811)
    ((attr store1 < 7.739 and attr store1 > 7.679)
     and bondedto (attr store1 < 137.971 and attr store1 > 137.371))
6 6 0 peak 3482 volume 88347720 hpm1 137.671 ppm1 7.709 ppm2 0.871
!# peak 3483-----------------------------------------------
assi (attr store1 < 0.835 and attr store1 > 0.715)
    ((attr store1 < 7.949 and attr store1 > 7.889)
     and bondedto (attr store1 < 138.080 and attr store1 > 137.480))
6 6 0 peak 3483 volume 12358550 hpm1 137.780 ppm1 7.919 ppm2 0.775
!# peak 3490-----------------------------------------------
assi (attr store1 < -0.021 and attr store1 > -0.141)
    ((attr store1 < 7.734 and attr store1 > 7.674)
     and bondedto (attr store1 < 137.904 and attr store1 > 137.304))
6 6 0 peak 3490 volume 7063847 hpm1 137.604 ppm1 7.704 ppm2 -0.081
!# peak 4109-----------------------------------------------
assi (attr store1 < 4.426 and attr store1 > 4.306)
    ((attr store1 < 7.126 and attr store1 > 7.066)
     and bondedto (attr store1 < 133.831 and attr store1 > 133.231))
6 6 0 peak 4109 volume 223504400 hpm1 133.531 ppm1 7.096 ppm2 4.366
!# peak 4118-----------------------------------------------
assi (attr store1 < 3.976 and attr store1 > 3.856)
    ((attr store1 < 7.124 and attr store1 > 7.064)
     and bondedto (attr store1 < 133.771 and attr store1 > 133.171))
6 6 0 peak 4118 volume 96618816 hpm1 133.471 ppm1 7.094 ppm2 3.916
!# peak 4124-----------------------------------------------
assi (attr store1 < 3.244 and attr store1 > 3.124)
    ((attr store1 < 7.126 and attr store1 > 7.066)
     and bondedto (attr store1 < 133.830 and attr store1 > 133.230))
6 6 0 peak 4124 volume 457610176 hpm1 133.530 ppm1 7.096 ppm2 3.184
!# peak 4127-----------------------------------------------
assi (attr store1 < 2.967 and attr store1 > 2.847)
    ((attr store1 < 7.146 and attr store1 > 7.086)
     and bondedto (attr store1 < 133.817 and attr store1 > 133.217))
6 6 0 peak 4127 volume 310234816 hpm1 133.517 ppm1 7.116 ppm2 2.907
!# peak 4213-----------------------------------------------
assi (attr store1 < 4.522 and attr store1 > 4.402)
    ((attr store1 < 7.168 and attr store1 > 7.108)
     and bondedto (attr store1 < 133.021 and attr store1 > 132.421))
6 6 0 peak 4213 volume 137903408 hpm1 132.721 ppm1 7.138 ppm2 4.462
!# peak 4215-----------------------------------------------
assi (attr store1 < 4.242 and attr store1 > 4.122)
    ((attr store1 < 7.167 and attr store1 > 7.107)
     and bondedto (attr store1 < 133.043 and attr store1 > 132.443))
6 6 0 peak 4215 volume 135996192 hpm1 132.743 ppm1 7.137 ppm2 4.182
!# peak 4219-----------------------------------------------
assi (attr store1 < 3.783 and attr store1 > 3.663)
    ((attr store1 < 7.168 and attr store1 > 7.108)
     and bondedto (attr store1 < 132.997 and attr store1 > 132.397))
6 6 0 peak 4219 volume 86069736 hpm1 132.697 ppm1 7.138 ppm2 3.723
!# peak 4224-----------------------------------------------
assi (attr store1 < 3.427 and attr store1 > 3.307)
    ((attr store1 < 7.168 and attr store1 > 7.108)
     and bondedto (attr store1 < 132.980 and attr store1 > 132.380))
6 6 0 peak 4224 volume 303207104 hpm1 132.680 ppm1 7.138 ppm2 3.367
!# peak 4228-----------------------------------------------
assi (attr store1 < 2.290 and attr store1 > 2.170)
    ((attr store1 < 7.168 and attr store1 > 7.108)
     and bondedto (attr store1 < 132.954 and attr store1 > 132.354))
6 6 0 peak 4228 volume 47074632 hpm1 132.654 ppm1 7.138 ppm2 2.230
!# peak 4231-----------------------------------------------
assi (attr store1 < 1.925 and attr store1 > 1.805)
    ((attr store1 < 7.168 and attr store1 > 7.108)
     and bondedto (attr store1 < 132.964 and attr store1 > 132.364))
6 6 0 peak 4231 volume 108615800 hpm1 132.664 ppm1 7.138 ppm2 1.865
!# peak 4232-----------------------------------------------
assi (attr store1 < 1.742 and attr store1 > 1.622)
    ((attr store1 < 7.168 and attr store1 > 7.108)
     and bondedto (attr store1 < 132.963 and attr store1 > 132.363))
6 6 0 peak 4232 volume 84887728 hpm1 132.663 ppm1 7.138 ppm2 1.682
!# peak 4238-----------------------------------------------
assi (attr store1 < 1.376 and attr store1 > 1.256)
    ((attr store1 < 7.168 and attr store1 > 7.108)
     and bondedto (attr store1 < 132.98 and attr store1 > 132.38))
6 6 0 peak 4238 volume 214200704 hpm1 132.68 ppm1 7.138 ppm2 1.316
!# peak 4241-----------------------------------------------
assi (attr store1 < 1.155 and attr store1 > 1.035)
    ((attr store1 < 7.168 and attr store1 > 7.108)
     and bondedto (attr store1 < 132.962 and attr store1 > 132.362))
6 6 0 peak 4241 volume 210578000 hpm1 132.662 ppm1 7.138 ppm2 1.095
!# peak 4286-----------------------------------------------
assi (attr store1 < 1.522 and attr store1 > 1.402)
    ((attr store1 < 7.170 and attr store1 > 7.110)
     and bondedto (attr store1 < 132.965 and attr store1 > 132.365))
6 6 0 peak 4286 volume 184575008 hpm1 132.665 ppm1 7.140 ppm2 1.462
!# peak 4299-----------------------------------------------
assi (attr store1 < 0.207 and attr store1 > 0.087)
    ((attr store1 < 7.163 and attr store1 > 7.103)
     and bondedto (attr store1 < 132.964 and attr store1 > 132.364))
6 6 0 peak 4299 volume 104543000 hpm1 132.664 ppm1 7.133 ppm2 0.147
!# peak 4311-----------------------------------------------
assi (attr store1 < 4.569 and attr store1 > 4.449)
    ((attr store1 < 6.874 and attr store1 > 6.814)
     and bondedto (attr store1 < 132.599 and attr store1 > 131.999))
6 6 0 peak 4311 volume 140841696 hpm1 132.299 ppm1 6.844 ppm2 4.509
!# peak 4369-----------------------------------------------
assi (attr store1 < 3.283 and attr store1 > 3.163)
    ((attr store1 < 6.874 and attr store1 > 6.814)
     and bondedto (attr store1 < 132.598 and attr store1 > 131.998))
6 6 0 peak 4369 volume 142644400 hpm1 132.298 ppm1 6.844 ppm2 3.223
!# peak 4371-----------------------------------------------
assi (attr store1 < 2.927 and attr store1 > 2.807)
    ((attr store1 < 6.876 and attr store1 > 6.816)
     and bondedto (attr store1 < 132.614 and attr store1 > 132.014))
6 6 0 peak 4371 volume 59565472 hpm1 132.314 ppm1 6.846 ppm2 2.867
!# peak 4373-----------------------------------------------
assi (attr store1 < 2.510 and attr store1 > 2.390)
    ((attr store1 < 6.875 and attr store1 > 6.815)
     and bondedto (attr store1 < 132.601 and attr store1 > 132.001))
6 6 0 peak 4373 volume 144230208 hpm1 132.301 ppm1 6.845 ppm2 2.450
!# peak 4377-----------------------------------------------
assi (attr store1 < 1.650 and attr store1 > 1.530)
    ((attr store1 < 6.875 and attr store1 > 6.815)
     and bondedto (attr store1 < 132.595 and attr store1 > 131.995))
6 6 0 peak 4377 volume 78295896 hpm1 132.295 ppm1 6.845 ppm2 1.590
!# peak 4380-----------------------------------------------
assi (attr store1 < 1.422 and attr store1 > 1.302)
    ((attr store1 < 6.874 and attr store1 > 6.814)
     and bondedto (attr store1 < 132.528 and attr store1 > 131.928))
6 6 0 peak 4380 volume 91301176 hpm1 132.228 ppm1 6.844 ppm2 1.362
!# peak 4385-----------------------------------------------
assi (attr store1 < 0.707 and attr store1 > 0.587)
    ((attr store1 < 6.874 and attr store1 > 6.814)
     and bondedto (attr store1 < 132.588 and attr store1 > 131.988))
6 6 0 peak 4385 volume 256071808 hpm1 132.288 ppm1 6.844 ppm2 0.647
!# peak 4389-----------------------------------------------
assi (attr store1 < 0.430 and attr store1 > 0.310)
    ((attr store1 < 6.874 and attr store1 > 6.814)
     and bondedto (attr store1 < 132.602 and attr store1 > 132.002))
6 6 0 peak 4389 volume 136149488 hpm1 132.302 ppm1 6.844 ppm2 0.370
!# peak 4392-----------------------------------------------
assi (attr store1 < 0.196 and attr store1 > 0.076)
    ((attr store1 < 6.875 and attr store1 > 6.815)
     and bondedto (attr store1 < 132.594 and attr store1 > 131.994))
6 6 0 peak 4392 volume 56181376 hpm1 132.294 ppm1 6.845 ppm2 0.136
!# peak 4414-----------------------------------------------
assi (attr store1 < 3.100 and attr store1 > 2.980)
    ((attr store1 < 7.459 and attr store1 > 7.399)
     and bondedto (attr store1 < 131.987 and attr store1 > 131.387))
6 6 0 peak 4414 volume 26631420 hpm1 131.687 ppm1 7.429 ppm2 3.040
!# peak 4419-----------------------------------------------
assi (attr store1 < 2.375 and attr store1 > 2.255)
    ((attr store1 < 7.462 and attr store1 > 7.402)
     and bondedto (attr store1 < 132.149 and attr store1 > 131.549))
6 6 0 peak 4419 volume 13687620 hpm1 131.849 ppm1 7.432 ppm2 2.315
!# peak 4421-----------------------------------------------
assi (attr store1 < 2.109 and attr store1 > 1.989)
    ((attr store1 < 7.460 and attr store1 > 7.400)
     and bondedto (attr store1 < 131.962 and attr store1 > 131.362))
6 6 0 peak 4421 volume 13126200 hpm1 131.662 ppm1 7.430 ppm2 2.049
!# peak 4426-----------------------------------------------
assi (attr store1 < 1.694 and attr store1 > 1.574)
    ((attr store1 < 7.460 and attr store1 > 7.400)
     and bondedto (attr store1 < 132.128 and attr store1 > 131.528))
6 6 0 peak 4426 volume 58389688 hpm1 131.828 ppm1 7.430 ppm2 1.634
!# peak 4428-----------------------------------------------
assi (attr store1 < 1.380 and attr store1 > 1.260)
    ((attr store1 < 7.459 and attr store1 > 7.399)
     and bondedto (attr store1 < 132.067 and attr store1 > 131.467))
6 6 0 peak 4428 volume 162897200 hpm1 131.767 ppm1 7.429 ppm2 1.320
!# peak 4432-----------------------------------------------
assi (attr store1 < 0.832 and attr store1 > 0.712)
    ((attr store1 < 7.461 and attr store1 > 7.401)
     and bondedto (attr store1 < 132.094 and attr store1 > 131.494))
6 6 0 peak 4432 volume 159830704 hpm1 131.794 ppm1 7.431 ppm2 0.772
!# peak 4434-----------------------------------------------
assi (attr store1 < 0.427 and attr store1 > 0.307)
    ((attr store1 < 7.464 and attr store1 > 7.404)
     and bondedto (attr store1 < 132.103 and attr store1 > 131.503))
6 6 0 peak 4434 volume 24953180 hpm1 131.803 ppm1 7.434 ppm2 0.367
!# peak 4452-----------------------------------------------
assi (attr store1 < 4.065 and attr store1 > 3.945)
    ((attr store1 < 7.460 and attr store1 > 7.400)
     and bondedto (attr store1 < 132.167 and attr store1 > 131.167))
6 6 0 peak 4452 volume 20367370 hpm1 131.467 ppm1 7.430 ppm2 4.005
!# peak 4453-----------------------------------------------
assi (attr store1 < 4.064 and attr store1 > 3.944)
    ((attr store1 < 7.344 and attr store1 > 7.284)
     and bondedto (attr store1 < 131.594 and attr store1 > 130.994))
6 6 0 peak 4453 volume 53076660 hpm1 131.294 ppm1 7.314 ppm2 4.004
!# peak 4459-----------------------------------------------
assi (attr store1 < 3.282 and attr store1 > 3.162)
    ((attr store1 < 7.458 and attr store1 > 7.398)
     and bondedto (attr store1 < 132.147 and attr store1 > 131.147))
6 6 0 peak 4459 volume 13640940 hpm1 131.447 ppm1 7.428 ppm2 3.222
!# peak 4460-----------------------------------------------
assi (attr store1 < 3.287 and attr store1 > 3.167)
    ((attr store1 < 7.346 and attr store1 > 7.286)
     and bondedto (attr store1 < 131.604 and attr store1 > 131.004))
6 6 0 peak 4460 volume 65990220 hpm1 131.304 ppm1 7.316 ppm2 3.227
!# peak 4463-----------------------------------------------
assi (attr store1 < 3.099 and attr store1 > 2.979)
    ((attr store1 < 7.345 and attr store1 > 7.285)
     and bondedto (attr store1 < 131.590 and attr store1 > 130.990))
6 6 0 peak 4463 volume 86864000 hpm1 131.290 ppm1 7.315 ppm2 3.039
!# peak 4475-----------------------------------------------
assi (attr store1 < 2.383 and attr store1 > 2.263)
    ((attr store1 < 7.344 and attr store1 > 7.284)
     and bondedto (attr store1 < 131.656 and attr store1 > 131.056))
6 6 0 peak 4475 volume 17391210 hpm1 131.356 ppm1 7.314 ppm2 2.323
!# peak 4479-----------------------------------------------
assi (attr store1 < 1.693 and attr store1 > 1.573)
    ((attr store1 < 7.345 and attr store1 > 7.285)
     and bondedto (attr store1 < 131.689 and attr store1 > 131.089))
6 6 0 peak 4479 volume 102470000 hpm1 131.389 ppm1 7.315 ppm2 1.633
!# peak 4484-----------------------------------------------
assi (attr store1 < 1.379 and attr store1 > 1.259)
    ((attr store1 < 7.347 and attr store1 > 7.287)
     and bondedto (attr store1 < 131.628 and attr store1 > 131.028))
6 6 0 peak 4484 volume 227675792 hpm1 131.328 ppm1 7.317 ppm2 1.319
!# peak 4503-----------------------------------------------
assi (attr store1 < 0.832 and attr store1 > 0.712)
    ((attr store1 < 7.346 and attr store1 > 7.286)
     and bondedto (attr store1 < 131.659 and attr store1 > 131.059))
6 6 0 peak 4503 volume 169829504 hpm1 131.359 ppm1 7.316 ppm2 0.772
!# peak 4506-----------------------------------------------
assi (attr store1 < 0.563 and attr store1 > 0.443)
    ((attr store1 < 7.462 and attr store1 > 7.402)
     and bondedto (attr store1 < 132.136 and attr store1 > 131.136))
6 6 0 peak 4506 volume 116846096 hpm1 131.436 ppm1 7.432 ppm2 0.503
!# peak 4519-----------------------------------------------
assi (attr store1 < 0.472 and attr store1 > 0.352)
    ((attr store1 < 7.349 and attr store1 > 7.289)
     and bondedto (attr store1 < 131.742 and attr store1 > 131.142))
6 6 0 peak 4519 volume 40691660 hpm1 131.442 ppm1 7.319 ppm2 0.412
!# peak 4544-----------------------------------------------
assi (attr store1 < 2.109 and attr store1 > 1.989)
    ((attr store1 < 7.345 and attr store1 > 7.285)
     and bondedto (attr store1 < 131.332 and attr store1 > 130.732))
6 6 0 peak 4544 volume 20598500 hpm1 131.032 ppm1 7.315 ppm2 2.049
!# peak 4593-----------------------------------------------
assi (attr store1 < 4.285 and attr store1 > 4.165)
    ((attr store1 < 6.988 and attr store1 > 6.928)
     and bondedto (attr store1 < 130.871 and attr store1 > 130.271))
6 6 0 peak 4593 volume 56865448 hpm1 130.571 ppm1 6.958 ppm2 4.225
!# peak 4597-----------------------------------------------
assi (attr store1 < 3.787 and attr store1 > 3.667)
    ((attr store1 < 6.988 and attr store1 > 6.928)
     and bondedto (attr store1 < 130.901 and attr store1 > 130.301))
6 6 0 peak 4597 volume 10908230 hpm1 130.601 ppm1 6.958 ppm2 3.727
!# peak 4603-----------------------------------------------
assi (attr store1 < 3.434 and attr store1 > 3.314)
    ((attr store1 < 6.992 and attr store1 > 6.932)
     and bondedto (attr store1 < 130.845 and attr store1 > 130.245))
6 6 0 peak 4603 volume 12785020 hpm1 130.545 ppm1 6.962 ppm2 3.374
!# peak 4604-----------------------------------------------
assi (attr store1 < 2.966 and attr store1 > 2.846)
    ((attr store1 < 6.987 and attr store1 > 6.927)
     and bondedto (attr store1 < 130.883 and attr store1 > 130.283))
6 6 0 peak 4604 volume 17847850 hpm1 130.583 ppm1 6.957 ppm2 2.906
!# peak 4610-----------------------------------------------
assi (attr store1 < 1.925 and attr store1 > 1.805)
    ((attr store1 < 6.988 and attr store1 > 6.928)
     and bondedto (attr store1 < 130.893 and attr store1 > 130.293))
6 6 0 peak 4610 volume 35529788 hpm1 130.593 ppm1 6.958 ppm2 1.865
!# peak 4612-----------------------------------------------
assi (attr store1 < 1.695 and attr store1 > 1.575)
    ((attr store1 < 6.988 and attr store1 > 6.928)
     and bondedto (attr store1 < 130.896 and attr store1 > 130.296))
6 6 0 peak 4612 volume 59438420 hpm1 130.596 ppm1 6.958 ppm2 1.635
!# peak 4615-----------------------------------------------
assi (attr store1 < 1.377 and attr store1 > 1.257)
    ((attr store1 < 6.988 and attr store1 > 6.928)
     and bondedto (attr store1 < 130.897 and attr store1 > 130.297))
6 6 0 peak 4615 volume 238370112 hpm1 130.597 ppm1 6.958 ppm2 1.317
!# peak 4627-----------------------------------------------
assi (attr store1 < 1.197 and attr store1 > 1.077)
    ((attr store1 < 6.988 and attr store1 > 6.928)
     and bondedto (attr store1 < 130.893 and attr store1 > 130.293))
6 6 0 peak 4627 volume 109094200 hpm1 130.593 ppm1 6.958 ppm2 1.137
!# peak 4635-----------------------------------------------
assi (attr store1 < 0.193 and attr store1 > 0.073)
    ((attr store1 < 6.989 and attr store1 > 6.929)
     and bondedto (attr store1 < 130.895 and attr store1 > 130.295))
6 6 0 peak 4635 volume 101212400 hpm1 130.595 ppm1 6.959 ppm2 0.133
!# peak 4743-----------------------------------------------
assi (attr store1 < 1.790 and attr store1 > 1.670)
    ((attr store1 < 7.348 and attr store1 > 7.288)
     and bondedto (attr store1 < 129.983 and attr store1 > 129.383))
6 6 0 peak 4743 volume 72992216 hpm1 129.683 ppm1 7.318 ppm2 1.730
!# peak 4745-----------------------------------------------
assi (attr store1 < 1.379 and attr store1 > 1.259)
    ((attr store1 < 7.348 and attr store1 > 7.288)
     and bondedto (attr store1 < 129.955 and attr store1 > 129.355))
6 6 0 peak 4745 volume 182847600 hpm1 129.655 ppm1 7.318 ppm2 1.319
!# peak 4747-----------------------------------------------
assi (attr store1 < 1.062 and attr store1 > 0.942)
    ((attr store1 < 7.349 and attr store1 > 7.289)
     and bondedto (attr store1 < 130.038 and attr store1 > 129.438))
6 6 0 peak 4747 volume 54036240 hpm1 129.738 ppm1 7.319 ppm2 1.002
!# peak 4751-----------------------------------------------
assi (attr store1 < 0.789 and attr store1 > 0.669)
    ((attr store1 < 7.348 and attr store1 > 7.288)
     and bondedto (attr store1 < 130.020 and attr store1 > 129.420))
6 6 0 peak 4751 volume 162030704 hpm1 129.720 ppm1 7.318 ppm2 0.729
!# peak 4755-----------------------------------------------
assi (attr store1 < 0.610 and attr store1 > 0.490)
    ((attr store1 < 7.348 and attr store1 > 7.288)
     and bondedto (attr store1 < 129.980 and attr store1 > 129.380))
6 6 0 peak 4755 volume 91079064 hpm1 129.680 ppm1 7.318 ppm2 0.550
!# peak 4756-----------------------------------------------
assi (attr store1 < 0.427 and attr store1 > 0.307)
    ((attr store1 < 7.347 and attr store1 > 7.287)
     and bondedto (attr store1 < 129.909 and attr store1 > 129.309))
6 6 0 peak 4756 volume 29965142 hpm1 129.609 ppm1 7.317 ppm2 0.367
!# peak 4806-----------------------------------------------
assi (attr store1 < 4.289 and attr store1 > 4.169)
    ((attr store1 < 6.917 and attr store1 > 6.857)
     and bondedto (attr store1 < 129.136 and attr store1 > 128.536))
6 6 0 peak 4806 volume 48467100 hpm1 128.836 ppm1 6.887 ppm2 4.229
!# peak 4821-----------------------------------------------
assi (attr store1 < 1.655 and attr store1 > 1.535)
    ((attr store1 < 6.915 and attr store1 > 6.855)
     and bondedto (attr store1 < 129.159 and attr store1 > 128.559))
6 6 0 peak 4821 volume 46390788 hpm1 128.859 ppm1 6.885 ppm2 1.595
!# peak 4822-----------------------------------------------
assi (attr store1 < 1.336 and attr store1 > 1.216)
    ((attr store1 < 6.916 and attr store1 > 6.856)
     and bondedto (attr store1 < 129.144 and attr store1 > 128.544))
6 6 0 peak 4822 volume 133794800 hpm1 128.844 ppm1 6.886 ppm2 1.276
!# peak 4828-----------------------------------------------
assi (attr store1 < 1.153 and attr store1 > 1.033)
    ((attr store1 < 6.913 and attr store1 > 6.853)
     and bondedto (attr store1 < 129.141 and attr store1 > 128.541))
6 6 0 peak 4828 volume 19011000 hpm1 128.841 ppm1 6.883 ppm2 1.093
!# peak 4831-----------------------------------------------
assi (attr store1 < 0.740 and attr store1 > 0.620)
    ((attr store1 < 6.916 and attr store1 > 6.856)
     and bondedto (attr store1 < 129.181 and attr store1 > 128.581))
6 6 0 peak 4831 volume 91986552 hpm1 128.881 ppm1 6.886 ppm2 0.680
!# peak 4837-----------------------------------------------
assi (attr store1 < 0.193 and attr store1 > 0.073)
    ((attr store1 < 6.915 and attr store1 > 6.855)
     and bondedto (attr store1 < 129.156 and attr store1 > 128.556))
6 6 0 peak 4837 volume 32148022 hpm1 128.856 ppm1 6.885 ppm2 0.133
!# peak 4994-----------------------------------------------
assi (attr store1 < 3.703 and attr store1 > 3.583)
    ((attr store1 < 7.198 and attr store1 > 7.138)
     and bondedto (attr store1 < 127.299 and attr store1 > 126.699))
6 6 0 peak 4994 volume 33172322 hpm1 126.999 ppm1 7.168 ppm2 3.643
!# peak 5001-----------------------------------------------
assi (attr store1 < 3.287 and attr store1 > 3.167)
    ((attr store1 < 7.196 and attr store1 > 7.136)
     and bondedto (attr store1 < 127.276 and attr store1 > 126.676))
6 6 0 peak 5001 volume 71391336 hpm1 126.976 ppm1 7.166 ppm2 3.227
!# peak 5039-----------------------------------------------
assi (attr store1 < 4.333 and attr store1 > 4.213)
    ((attr store1 < 7.193 and attr store1 > 7.133)
     and bondedto (attr store1 < 126.982 and attr store1 > 126.382))
6 6 0 peak 5039 volume 96180720 hpm1 126.682 ppm1 7.163 ppm2 4.273
!# peak 5040-----------------------------------------------
assi (attr store1 < 4.330 and attr store1 > 4.210)
    ((attr store1 < 7.147 and attr store1 > 7.087)
     and bondedto (attr store1 < 126.973 and attr store1 > 126.373))
6 6 0 peak 5040 volume 73927704 hpm1 126.673 ppm1 7.117 ppm2 4.270
!# peak 5044-----------------------------------------------
assi (attr store1 < 4.103 and attr store1 > 3.983)
    ((attr store1 < 7.197 and attr store1 > 7.137)
     and bondedto (attr store1 < 127.109 and attr store1 > 126.509))
6 6 0 peak 5044 volume 60477972 hpm1 126.809 ppm1 7.167 ppm2 4.043
!# peak 5048-----------------------------------------------
assi (attr store1 < 3.421 and attr store1 > 3.301)
    ((attr store1 < 7.146 and attr store1 > 7.086)
     and bondedto (attr store1 < 126.935 and attr store1 > 126.335))
6 6 0 peak 5048 volume 48366632 hpm1 126.635 ppm1 7.116 ppm2 3.361
!# peak 5058-----------------------------------------------
assi (attr store1 < 2.607 and attr store1 > 2.487)
    ((attr store1 < 7.145 and attr store1 > 7.085)
     and bondedto (attr store1 < 126.938 and attr store1 > 126.338))
6 6 0 peak 5058 volume 46655048 hpm1 126.638 ppm1 7.115 ppm2 2.547
!# peak 5064-----------------------------------------------
assi (attr store1 < 1.831 and attr store1 > 1.711)
    ((attr store1 < 7.195 and attr store1 > 7.135)
     and bondedto (attr store1 < 127.142 and attr store1 > 126.542))
6 6 0 peak 5064 volume 40855760 hpm1 126.842 ppm1 7.165 ppm2 1.771
!# peak 5067-----------------------------------------------
assi (attr store1 < 0.879 and attr store1 > 0.759)
    ((attr store1 < 7.148 and attr store1 > 7.088)
     and bondedto (attr store1 < 126.983 and attr store1 > 126.383))
6 6 0 peak 5067 volume 169112288 hpm1 126.683 ppm1 7.118 ppm2 0.819
!# peak 5078-----------------------------------------------
assi (attr store1 < 0.838 and attr store1 > 0.718)
    ((attr store1 < 7.193 and attr store1 > 7.133)
     and bondedto (attr store1 < 127.044 and attr store1 > 126.444))
6 6 0 peak 5078 volume 174876608 hpm1 126.744 ppm1 7.163 ppm2 0.778
!# peak 5099-----------------------------------------------
assi (attr store1 < 0.154 and attr store1 > 0.034)
    ((attr store1 < 7.195 and attr store1 > 7.135)
     and bondedto (attr store1 < 126.992 and attr store1 > 126.392))
6 6 0 peak 5099 volume 102251200 hpm1 126.692 ppm1 7.165 ppm2 0.094
!# peak 5100-----------------------------------------------
assi (attr store1 < 0.010 and attr store1 > -0.109)
    ((attr store1 < 7.144 and attr store1 > 7.084)
     and bondedto (attr store1 < 126.965 and attr store1 > 126.365))
6 6 0 peak 5100 volume 79340960 hpm1 126.665 ppm1 7.114 ppm2 -0.049
!# peak 5272-----------------------------------------------
assi (attr store1 < 2.604 and attr store1 > 2.484)
    ((attr store1 < 5.762 and attr store1 > 5.702)
     and bondedto (attr store1 < 125.757 and attr store1 > 125.157))
6 6 0 peak 5272 volume 18055110 hpm1 125.457 ppm1 5.732 ppm2 2.544
!# peak 5292-----------------------------------------------
assi (attr store1 < 0.930 and attr store1 > 0.810)
    ((attr store1 < 5.782 and attr store1 > 5.722)
     and bondedto (attr store1 < 125.666 and attr store1 > 125.066))
6 6 0 peak 5292 volume 154429200 hpm1 125.366 ppm1 5.752 ppm2 0.870
!# peak 5294-----------------------------------------------
assi (attr store1 < 0.605 and attr store1 > 0.485)
    ((attr store1 < 5.823 and attr store1 > 5.723)
     and bondedto (attr store1 < 125.653 and attr store1 > 125.053))
6 6 0 peak 5294 volume 33337220 hpm1 125.353 ppm1 5.793 ppm2 0.545
!# peak 5296-----------------------------------------------
assi (attr store1 < 0.470 and attr store1 > 0.350)
    ((attr store1 < 5.765 and attr store1 > 5.705)
     and bondedto (attr store1 < 125.699 and attr store1 > 125.099))
6 6 0 peak 5296 volume 43771072 hpm1 125.399 ppm1 5.735 ppm2 0.410
!# peak 5358-----------------------------------------------
assi (attr store1 < 0.968 and attr store1 > 0.848)
    ((attr store1 < 6.081 and attr store1 > 6.021)
     and bondedto (attr store1 < 125.407 and attr store1 > 124.807))
6 6 0 peak 5358 volume 20356400 hpm1 125.107 ppm1 6.051 ppm2 0.908
!# peak 5401-----------------------------------------------
assi (attr store1 < 1.420 and attr store1 > 1.300)
    ((attr store1 < 7.059 and attr store1 > 6.999)
     and bondedto (attr store1 < 124.725 and attr store1 > 124.125))
6 6 0 peak 5401 volume 102031000 hpm1 124.425 ppm1 7.029 ppm2 1.360
!# peak 5403-----------------------------------------------
assi (attr store1 < 0.962 and attr store1 > 0.842)
    ((attr store1 < 7.054 and attr store1 > 6.994)
     and bondedto (attr store1 < 124.773 and attr store1 > 124.173))
6 6 0 peak 5403 volume 46807060 hpm1 124.473 ppm1 7.024 ppm2 0.902
!# peak 5562-----------------------------------------------
assi (attr store1 < 4.103 and attr store1 > 3.983)
    ((attr store1 < 7.144 and attr store1 > 7.084)
     and bondedto (attr store1 < 123.642 and attr store1 > 123.042))
6 6 0 peak 5562 volume 25585062 hpm1 123.342 ppm1 7.114 ppm2 4.043
!# peak 5582-----------------------------------------------
assi (attr store1 < 1.742 and attr store1 > 1.622)
    ((attr store1 < 7.129 and attr store1 > 7.069)
     and bondedto (attr store1 < 123.633 and attr store1 > 123.033))
6 6 0 peak 5582 volume 123039200 hpm1 123.333 ppm1 7.099 ppm2 1.682
!# peak 5600-----------------------------------------------
assi (attr store1 < 1.514 and attr store1 > 1.394)
    ((attr store1 < 7.128 and attr store1 > 7.068)
     and bondedto (attr store1 < 123.635 and attr store1 > 123.035))
6 6 0 peak 5600 volume 157435808 hpm1 123.335 ppm1 7.098 ppm2 1.454
!# peak 5602-----------------------------------------------
assi (attr store1 < 1.063 and attr store1 > 0.943)
    ((attr store1 < 7.127 and attr store1 > 7.067)
     and bondedto (attr store1 < 123.623 and attr store1 > 123.023))
6 6 0 peak 5602 volume 42151220 hpm1 123.323 ppm1 7.097 ppm2 1.003
!# peak 5603-----------------------------------------------
assi (attr store1 < 0.786 and attr store1 > 0.666)
    ((attr store1 < 7.141 and attr store1 > 7.081)
     and bondedto (attr store1 < 123.596 and attr store1 > 122.996))
6 6 0 peak 5603 volume 86247936 hpm1 123.296 ppm1 7.111 ppm2 0.726
!# peak 5605-----------------------------------------------
assi (attr store1 < 0.465 and attr store1 > 0.345)
    ((attr store1 < 7.129 and attr store1 > 7.069)
     and bondedto (attr store1 < 123.618 and attr store1 > 123.018))
6 6 0 peak 5605 volume 98784400 hpm1 123.318 ppm1 7.099 ppm2 0.405
!# peak 5607-----------------------------------------------
assi (attr store1 < 0.247 and attr store1 > 0.127)
    ((attr store1 < 7.126 and attr store1 > 7.066)
     and bondedto (attr store1 < 123.658 and attr store1 > 123.058))
6 6 0 peak 5607 volume 16303471 hpm1 123.358 ppm1 7.096 ppm2 0.187
!# peak 5713-----------------------------------------------
assi (attr store1 < 4.287 and attr store1 > 4.167)
    ((attr store1 < 6.374 and attr store1 > 6.314)
     and bondedto (attr store1 < 122.372 and attr store1 > 121.772))
6 6 0 peak 5713 volume 24479260 hpm1 122.072 ppm1 6.344 ppm2 4.227
!# peak 5719-----------------------------------------------
assi (attr store1 < 3.646 and attr store1 > 3.526)
    ((attr store1 < 6.369 and attr store1 > 6.309)
     and bondedto (attr store1 < 122.313 and attr store1 > 121.713))
6 6 0 peak 5719 volume 14717080 hpm1 122.013 ppm1 6.339 ppm2 3.586
!# peak 5731-----------------------------------------------
assi (attr store1 < 3.428 and attr store1 > 3.308)
    ((attr store1 < 6.989 and attr store1 > 6.929)
     and bondedto (attr store1 < 122.246 and attr store1 > 121.646))
6 6 0 peak 5731 volume 20833230 hpm1 121.946 ppm1 6.959 ppm2 3.368
!# peak 5732-----------------------------------------------
assi (attr store1 < 3.428 and attr store1 > 3.308)
    ((attr store1 < 6.371 and attr store1 > 6.311)
     and bondedto (attr store1 < 122.324 and attr store1 > 121.724))
6 6 0 peak 5732 volume 53895096 hpm1 122.024 ppm1 6.341 ppm2 3.368
!# peak 5738-----------------------------------------------
assi (attr store1 < 2.922 and attr store1 > 2.802)
    ((attr store1 < 6.369 and attr store1 > 6.309)
     and bondedto (attr store1 < 122.353 and attr store1 > 121.753))
6 6 0 peak 5738 volume 87082672 hpm1 122.053 ppm1 6.339 ppm2 2.862
!# peak 5741-----------------------------------------------
assi (attr store1 < 2.751 and attr store1 > 2.631)
    ((attr store1 < 6.369 and attr store1 > 6.309)
     and bondedto (attr store1 < 122.326 and attr store1 > 121.726))
6 6 0 peak 5741 volume 107695896 hpm1 122.026 ppm1 6.339 ppm2 2.691
!# peak 5743-----------------------------------------------
assi (attr store1 < 2.522 and attr store1 > 2.402)
    ((attr store1 < 6.370 and attr store1 > 6.310)
     and bondedto (attr store1 < 122.333 and attr store1 > 121.733))
6 6 0 peak 5743 volume 55554092 hpm1 122.033 ppm1 6.340 ppm2 2.462
!# peak 5745-----------------------------------------------
assi (attr store1 < 2.245 and attr store1 > 2.125)
    ((attr store1 < 6.371 and attr store1 > 6.311)
     and bondedto (attr store1 < 122.307 and attr store1 > 121.707))
6 6 0 peak 5745 volume 9309481 hpm1 122.007 ppm1 6.341 ppm2 2.185
!# peak 5747-----------------------------------------------
assi (attr store1 < 1.875 and attr store1 > 1.755)
    ((attr store1 < 6.370 and attr store1 > 6.310)
     and bondedto (attr store1 < 122.330 and attr store1 > 121.730))
6 6 0 peak 5747 volume 206578112 hpm1 122.030 ppm1 6.340 ppm2 1.815
!# peak 5752-----------------------------------------------
assi (attr store1 < 1.465 and attr store1 > 1.345)
    ((attr store1 < 6.370 and attr store1 > 6.310)
     and bondedto (attr store1 < 122.319 and attr store1 > 121.719))
6 6 0 peak 5752 volume 78072560 hpm1 122.019 ppm1 6.340 ppm2 1.405
!# peak 5757-----------------------------------------------
assi (attr store1 < 1.377 and attr store1 > 1.257)
    ((attr store1 < 7.825 and attr store1 > 7.765)
     and bondedto (attr store1 < 122.291 and attr store1 > 121.691))
6 6 0 peak 5757 volume 26947960 hpm1 121.991 ppm1 7.795 ppm2 1.317
!# peak 5760-----------------------------------------------
assi (attr store1 < 1.019 and attr store1 > 0.899)
    ((attr store1 < 6.373 and attr store1 > 6.313)
     and bondedto (attr store1 < 122.288 and attr store1 > 121.688))
6 6 0 peak 5760 volume 38117640 hpm1 121.988 ppm1 6.343 ppm2 0.959
!# peak 5762-----------------------------------------------
assi (attr store1 < 0.831 and attr store1 > 0.711)
    ((attr store1 < 6.373 and attr store1 > 6.313)
     and bondedto (attr store1 < 122.296 and attr store1 > 121.696))
6 6 0 peak 5762 volume 82404144 hpm1 121.996 ppm1 6.343 ppm2 0.771
!# peak 5765-----------------------------------------------
assi (attr store1 < 0.565 and attr store1 > 0.445)
    ((attr store1 < 6.356 and attr store1 > 6.296)
     and bondedto (attr store1 < 122.275 and attr store1 > 121.675))
6 6 0 peak 5765 volume 40969980 hpm1 121.975 ppm1 6.326 ppm2 0.505
!# peak 5771-----------------------------------------------
assi (attr store1 < -0.172 and attr store1 > -0.292)
    ((attr store1 < 6.369 and attr store1 > 6.309)
     and bondedto (attr store1 < 122.348 and attr store1 > 121.748))
6 6 0 peak 5771 volume 6402914 hpm1 122.048 ppm1 6.339 ppm2 -0.232
!# peak 5800-----------------------------------------------
assi (attr store1 < 0.789 and attr store1 > 0.669)
    ((attr store1 < 6.988 and attr store1 > 6.928)
     and bondedto (attr store1 < 121.828 and attr store1 > 121.228))
6 6 0 peak 5800 volume 137745200 hpm1 121.528 ppm1 6.958 ppm2 0.729
!# peak 5845-----------------------------------------------
assi (attr store1 < 1.829 and attr store1 > 1.709)
    ((attr store1 < 6.986 and attr store1 > 6.926)
     and bondedto (attr store1 < 121.443 and attr store1 > 120.843))
6 6 0 peak 5845 volume 37495088 hpm1 121.143 ppm1 6.956 ppm2 1.769
!# peak 5848-----------------------------------------------
assi (attr store1 < 1.377 and attr store1 > 1.257)
    ((attr store1 < 6.986 and attr store1 > 6.926)
     and bondedto (attr store1 < 121.478 and attr store1 > 120.878))
6 6 0 peak 5848 volume 101956600 hpm1 121.178 ppm1 6.956 ppm2 1.317
!# peak 5850-----------------------------------------------
assi (attr store1 < 1.062 and attr store1 > 0.942)
    ((attr store1 < 6.986 and attr store1 > 6.926)
     and bondedto (attr store1 < 121.490 and attr store1 > 120.890))
6 6 0 peak 5850 volume 54975628 hpm1 121.190 ppm1 6.956 ppm2 1.002
!# peak 5851-----------------------------------------------
assi (attr store1 < 0.834 and attr store1 > 0.714)
    ((attr store1 < 6.602 and attr store1 > 6.542)
     and bondedto (attr store1 < 121.445 and attr store1 > 120.845))
6 6 0 peak 5851 volume 116540400 hpm1 121.145 ppm1 6.572 ppm2 0.774
!# peak 5858-----------------------------------------------
assi (attr store1 < 0.424 and attr store1 > 0.304)
    ((attr store1 < 6.984 and attr store1 > 6.924)
     and bondedto (attr store1 < 121.551 and attr store1 > 120.951))
6 6 0 peak 5858 volume 75419184 hpm1 121.251 ppm1 6.954 ppm2 0.364
!# peak 5859-----------------------------------------------
assi (attr store1 < 0.245 and attr store1 > 0.125)
    ((attr store1 < 6.985 and attr store1 > 6.925)
     and bondedto (attr store1 < 121.521 and attr store1 > 120.921))
6 6 0 peak 5859 volume 78491360 hpm1 121.221 ppm1 6.955 ppm2 0.185
!# peak 5869-----------------------------------------------
assi (attr store1 < 4.336 and attr store1 > 4.216)
    ((attr store1 < 7.286 and attr store1 > 7.226)
     and bondedto (attr store1 < 120.974 and attr store1 > 120.374))
6 6 0 peak 5869 volume 28308090 hpm1 120.674 ppm1 7.256 ppm2 4.276
!# peak 5879-----------------------------------------------
assi (attr store1 < 3.882 and attr store1 > 3.762)
    ((attr store1 < 7.827 and attr store1 > 7.767)
     and bondedto (attr store1 < 120.916 and attr store1 > 120.316))
6 6 0 peak 5879 volume 51409928 hpm1 120.616 ppm1 7.797 ppm2 3.822
!# peak 5890-----------------------------------------------
assi (attr store1 < 2.930 and attr store1 > 2.810)
    ((attr store1 < 7.284 and attr store1 > 7.224)
     and bondedto (attr store1 < 120.94 and attr store1 > 120.34))
6 6 0 peak 5890 volume 21801320 hpm1 120.64 ppm1 7.254 ppm2 2.870
!# peak 5905-----------------------------------------------
assi (attr store1 < 1.374 and attr store1 > 1.254)
    ((attr store1 < 7.828 and attr store1 > 7.768)
     and bondedto (attr store1 < 120.961 and attr store1 > 120.361))
6 6 0 peak 5905 volume 83839712 hpm1 120.661 ppm1 7.798 ppm2 1.314
!# peak 5917-----------------------------------------------
assi (attr store1 < 0.284 and attr store1 > 0.164)
    ((attr store1 < 7.826 and attr store1 > 7.766)
     and bondedto (attr store1 < 120.947 and attr store1 > 120.347))
6 6 0 peak 5917 volume 66639740 hpm1 120.647 ppm1 7.796 ppm2 0.224
!# peak 5954-----------------------------------------------
assi (attr store1 < 3.700 and attr store1 > 3.580)
    ((attr store1 < 7.283 and attr store1 > 7.223)
     and bondedto (attr store1 < 120.671 and attr store1 > 120.071))
6 6 0 peak 5954 volume 73628936 hpm1 120.371 ppm1 7.253 ppm2 3.640
!# peak 5955-----------------------------------------------
assi (attr store1 < 3.422 and attr store1 > 3.302)
    ((attr store1 < 7.827 and attr store1 > 7.767)
     and bondedto (attr store1 < 120.673 and attr store1 > 120.073))
6 6 0 peak 5955 volume 108725304 hpm1 120.373 ppm1 7.797 ppm2 3.362
!# peak 5956-----------------------------------------------
assi (attr store1 < 3.290 and attr store1 > 3.170)
    ((attr store1 < 7.285 and attr store1 > 7.225)
     and bondedto (attr store1 < 120.721 and attr store1 > 120.121))
6 6 0 peak 5956 volume 35399600 hpm1 120.421 ppm1 7.255 ppm2 3.230
!# peak 5963-----------------------------------------------
assi (attr store1 < 2.608 and attr store1 > 2.488)
    ((attr store1 < 7.828 and attr store1 > 7.768)
     and bondedto (attr store1 < 120.650 and attr store1 > 120.050))
6 6 0 peak 5963 volume 33772800 hpm1 120.350 ppm1 7.798 ppm2 2.548
!# peak 5971-----------------------------------------------
assi (attr store1 < 1.836 and attr store1 > 1.716)
    ((attr store1 < 7.827 and attr store1 > 7.767)
     and bondedto (attr store1 < 120.670 and attr store1 > 120.070))
6 6 0 peak 5971 volume 98281128 hpm1 120.370 ppm1 7.797 ppm2 1.776
!# peak 5972-----------------------------------------------
assi (attr store1 < 1.059 and attr store1 > 0.939)
    ((attr store1 < 7.829 and attr store1 > 7.769)
     and bondedto (attr store1 < 120.671 and attr store1 > 120.071))
6 6 0 peak 5972 volume 41286768 hpm1 120.371 ppm1 7.799 ppm2 0.999
!# peak 5974-----------------------------------------------
assi (attr store1 < 0.837 and attr store1 > 0.717)
    ((attr store1 < 7.285 and attr store1 > 7.225)
     and bondedto (attr store1 < 120.674 and attr store1 > 120.074))
6 6 0 peak 5974 volume 110882696 hpm1 120.374 ppm1 7.255 ppm2 0.777
!# peak 6041-----------------------------------------------
assi (attr store1 < 4.648 and attr store1 > 4.528)
    ((attr store1 < 7.167 and attr store1 > 7.107)
     and bondedto (attr store1 < 119.690 and attr store1 > 119.090))
6 6 0 peak 6041 volume 156693904 hpm1 119.390 ppm1 7.137 ppm2 4.588
!# peak 6048-----------------------------------------------
assi (attr store1 < 4.239 and attr store1 > 4.119)
    ((attr store1 < 6.934 and attr store1 > 6.874)
     and bondedto (attr store1 < 119.648 and attr store1 > 119.048))
6 6 0 peak 6048 volume 42131160 hpm1 119.348 ppm1 6.904 ppm2 4.179
!# peak 6052-----------------------------------------------
assi (attr store1 < 3.882 and attr store1 > 3.762)
    ((attr store1 < 7.166 and attr store1 > 7.106)
     and bondedto (attr store1 < 119.828 and attr store1 > 119.228))
6 6 0 peak 6052 volume 122067896 hpm1 119.528 ppm1 7.136 ppm2 3.822
!# peak 6055-----------------------------------------------
assi (attr store1 < 3.654 and attr store1 > 3.534)
    ((attr store1 < 7.165 and attr store1 > 7.105)
     and bondedto (attr store1 < 119.803 and attr store1 > 119.203))
6 6 0 peak 6055 volume 193160592 hpm1 119.503 ppm1 7.135 ppm2 3.594
!# peak 6059-----------------------------------------------
assi (attr store1 < 3.426 and attr store1 > 3.306)
    ((attr store1 < 7.164 and attr store1 > 7.104)
     and bondedto (attr store1 < 119.780 and attr store1 > 119.180))
6 6 0 peak 6059 volume 131446200 hpm1 119.480 ppm1 7.134 ppm2 3.366
!# peak 6060-----------------------------------------------
assi (attr store1 < 3.282 and attr store1 > 3.162)
    ((attr store1 < 6.935 and attr store1 > 6.875)
     and bondedto (attr store1 < 119.605 and attr store1 > 119.005))
6 6 0 peak 6060 volume 48048880 hpm1 119.305 ppm1 6.905 ppm2 3.222
!# peak 6061-----------------------------------------------
assi (attr store1 < 2.651 and attr store1 > 2.531)
    ((attr store1 < 7.150 and attr store1 > 7.090)
     and bondedto (attr store1 < 119.811 and attr store1 > 119.211))
6 6 0 peak 6061 volume 5655645 hpm1 119.511 ppm1 7.120 ppm2 2.591
!# peak 6073-----------------------------------------------
assi (attr store1 < 1.829 and attr store1 > 1.709)
    ((attr store1 < 7.151 and attr store1 > 7.091)
     and bondedto (attr store1 < 119.720 and attr store1 > 119.120))
6 6 0 peak 6073 volume 25752670 hpm1 119.420 ppm1 7.121 ppm2 1.769
!# peak 6076-----------------------------------------------
assi (attr store1 < 1.747 and attr store1 > 1.627)
    ((attr store1 < 6.934 and attr store1 > 6.874)
     and bondedto (attr store1 < 119.623 and attr store1 > 119.023))
6 6 0 peak 6076 volume 7239895 hpm1 119.323 ppm1 6.904 ppm2 1.687
!# peak 6081-----------------------------------------------
assi (attr store1 < 1.506 and attr store1 > 1.386)
    ((attr store1 < 7.165 and attr store1 > 7.105)
     and bondedto (attr store1 < 119.852 and attr store1 > 119.252))
6 6 0 peak 6081 volume 258531088 hpm1 119.552 ppm1 7.135 ppm2 1.446
!# peak 6082-----------------------------------------------
assi (attr store1 < 1.464 and attr store1 > 1.344)
    ((attr store1 < 6.924 and attr store1 > 6.864)
     and bondedto (attr store1 < 119.716 and attr store1 > 119.116))
6 6 0 peak 6082 volume 66602880 hpm1 119.416 ppm1 6.894 ppm2 1.404
!# peak 6086-----------------------------------------------
assi (attr store1 < 1.062 and attr store1 > 0.942)
    ((attr store1 < 7.164 and attr store1 > 7.104)
     and bondedto (attr store1 < 119.837 and attr store1 > 119.237))
6 6 0 peak 6086 volume 108125704 hpm1 119.537 ppm1 7.134 ppm2 1.002
!# peak 6087-----------------------------------------------
assi (attr store1 < 0.836 and attr store1 > 0.716)
    ((attr store1 < 6.927 and attr store1 > 6.867)
     and bondedto (attr store1 < 119.668 and attr store1 > 119.068))
6 6 0 peak 6087 volume 31842742 hpm1 119.368 ppm1 6.897 ppm2 0.776
!# peak 6145-----------------------------------------------
assi (attr store1 < 3.972 and attr store1 > 3.852)
    ((attr store1 < 6.847 and attr store1 > 6.787)
     and bondedto (attr store1 < 118.794 and attr store1 > 118.194))
6 6 0 peak 6145 volume 97126208 hpm1 118.494 ppm1 6.817 ppm2 3.912
!# peak 6171-----------------------------------------------
assi (attr store1 < 3.249 and attr store1 > 3.129)
    ((attr store1 < 6.847 and attr store1 > 6.787)
     and bondedto (attr store1 < 118.793 and attr store1 > 118.193))
6 6 0 peak 6171 volume 64954752 hpm1 118.493 ppm1 6.817 ppm2 3.189
!# peak 6172-----------------------------------------------
assi (attr store1 < 2.965 and attr store1 > 2.845)
    ((attr store1 < 6.833 and attr store1 > 6.773)
     and bondedto (attr store1 < 118.848 and attr store1 > 118.248))
6 6 0 peak 6172 volume 27311600 hpm1 118.548 ppm1 6.803 ppm2 2.905
!# peak 6182-----------------------------------------------
assi (attr store1 < 1.652 and attr store1 > 1.532)
    ((attr store1 < 6.834 and attr store1 > 6.774)
     and bondedto (attr store1 < 118.799 and attr store1 > 118.199))
6 6 0 peak 6182 volume 54753520 hpm1 118.499 ppm1 6.804 ppm2 1.592
!# peak 6184-----------------------------------------------
assi (attr store1 < 1.422 and attr store1 > 1.302)
    ((attr store1 < 6.834 and attr store1 > 6.774)
     and bondedto (attr store1 < 118.846 and attr store1 > 118.246))
6 6 0 peak 6184 volume 42115448 hpm1 118.546 ppm1 6.804 ppm2 1.362
!# peak 6190-----------------------------------------------
assi (attr store1 < 0.925 and attr store1 > 0.805)
    ((attr store1 < 6.845 and attr store1 > 6.785)
     and bondedto (attr store1 < 118.810 and attr store1 > 118.210))
6 6 0 peak 6190 volume 137641504 hpm1 118.510 ppm1 6.815 ppm2 0.865
!# peak 6194-----------------------------------------------
assi (attr store1 < 0.696 and attr store1 > 0.576)
    ((attr store1 < 6.835 and attr store1 > 6.775)
     and bondedto (attr store1 < 118.859 and attr store1 > 118.259))
6 6 0 peak 6194 volume 43831088 hpm1 118.559 ppm1 6.805 ppm2 0.636
!# peak 6221-----------------------------------------------
assi (attr store1 < 3.703 and attr store1 > 3.583)
    ((attr store1 < 6.530 and attr store1 > 6.470)
     and bondedto (attr store1 < 118.413 and attr store1 > 117.813))
6 6 0 peak 6221 volume 38246532 hpm1 118.113 ppm1 6.500 ppm2 3.643
!# peak 6223-----------------------------------------------
assi (attr store1 < 3.474 and attr store1 > 3.354)
    ((attr store1 < 6.530 and attr store1 > 6.470)
     and bondedto (attr store1 < 118.35 and attr store1 > 117.75))
6 6 0 peak 6223 volume 52809412 hpm1 118.05 ppm1 6.500 ppm2 3.414
!# peak 6226-----------------------------------------------
assi (attr store1 < 3.285 and attr store1 > 3.165)
    ((attr store1 < 6.530 and attr store1 > 6.470)
     and bondedto (attr store1 < 118.329 and attr store1 > 117.729))
6 6 0 peak 6226 volume 33573900 hpm1 118.029 ppm1 6.500 ppm2 3.225
!# peak 6230-----------------------------------------------
assi (attr store1 < 2.927 and attr store1 > 2.807)
    ((attr store1 < 6.529 and attr store1 > 6.469)
     and bondedto (attr store1 < 118.356 and attr store1 > 117.756))
6 6 0 peak 6230 volume 45591412 hpm1 118.056 ppm1 6.499 ppm2 2.867
!# peak 6277-----------------------------------------------
assi (attr store1 < 1.423 and attr store1 > 1.303)
    ((attr store1 < 6.531 and attr store1 > 6.471)
     and bondedto (attr store1 < 118.359 and attr store1 > 117.759))
6 6 0 peak 6277 volume 39183988 hpm1 118.059 ppm1 6.501 ppm2 1.363
!# peak 6375-----------------------------------------------
assi (attr store1 < 0.877 and attr store1 > 0.757)
    ((attr store1 < 6.530 and attr store1 > 6.470)
     and bondedto (attr store1 < 118.152 and attr store1 > 117.552))
6 6 0 peak 6375 volume 106181600 hpm1 117.852 ppm1 6.500 ppm2 0.817
!# peak 6383-----------------------------------------------
assi (attr store1 < 0.429 and attr store1 > 0.309)
    ((attr store1 < 6.529 and attr store1 > 6.469)
     and bondedto (attr store1 < 118.159 and attr store1 > 117.559))
6 6 0 peak 6383 volume 48629712 hpm1 117.859 ppm1 6.499 ppm2 0.369
!# peak 6384-----------------------------------------------
assi (attr store1 < 0.201 and attr store1 > 0.081)
    ((attr store1 < 6.531 and attr store1 > 6.471)
     and bondedto (attr store1 < 118.039 and attr store1 > 117.439))
6 6 0 peak 6384 volume 29097020 hpm1 117.739 ppm1 6.501 ppm2 0.141
!# peak 6671-----------------------------------------------
assi (attr store1 < 4.160 and attr store1 > 4.040)
    ((attr store1 < 6.926 and attr store1 > 6.866)
     and bondedto (attr store1 < 115.454 and attr store1 > 114.854))
6 6 0 peak 6671 volume 135823696 hpm1 115.154 ppm1 6.896 ppm2 4.100
!# peak 6678-----------------------------------------------
assi (attr store1 < 3.466 and attr store1 > 3.346)
    ((attr store1 < 6.925 and attr store1 > 6.865)
     and bondedto (attr store1 < 115.440 and attr store1 > 114.840))
6 6 0 peak 6678 volume 25846070 hpm1 115.140 ppm1 6.895 ppm2 3.406
!# peak 6681-----------------------------------------------
assi (attr store1 < 2.928 and attr store1 > 2.808)
    ((attr store1 < 6.927 and attr store1 > 6.867)
     and bondedto (attr store1 < 115.445 and attr store1 > 114.845))
6 6 0 peak 6681 volume 23896850 hpm1 115.145 ppm1 6.897 ppm2 2.868
!# peak 6683-----------------------------------------------
assi (attr store1 < 2.744 and attr store1 > 2.624)
    ((attr store1 < 6.924 and attr store1 > 6.864)
     and bondedto (attr store1 < 115.470 and attr store1 > 114.870))
6 6 0 peak 6683 volume 18982480 hpm1 115.170 ppm1 6.894 ppm2 2.684
!# peak 6688-----------------------------------------------
assi (attr store1 < 2.248 and attr store1 > 2.128)
    ((attr store1 < 6.928 and attr store1 > 6.868)
     and bondedto (attr store1 < 115.480 and attr store1 > 114.880))
6 6 0 peak 6688 volume 22795780 hpm1 115.180 ppm1 6.898 ppm2 2.188
!# peak 6691-----------------------------------------------
assi (attr store1 < 2.106 and attr store1 > 1.986)
    ((attr store1 < 6.935 and attr store1 > 6.875)
     and bondedto (attr store1 < 115.437 and attr store1 > 114.837))
6 6 0 peak 6691 volume 0.2028021e+07 hpm1 115.137 ppm1 6.905 ppm2 2.046
!# peak 6695-----------------------------------------------
assi (attr store1 < 1.461 and attr store1 > 1.341)
    ((attr store1 < 6.929 and attr store1 > 6.869)
     and bondedto (attr store1 < 115.412 and attr store1 > 114.812))
6 6 0 peak 6695 volume 1942837 hpm1 115.112 ppm1 6.899 ppm2 1.401
!# peak 6701-----------------------------------------------
assi (attr store1 < 0.565 and attr store1 > 0.445)
    ((attr store1 < 6.935 and attr store1 > 6.875)
     and bondedto (attr store1 < 115.468 and attr store1 > 114.868))
6 6 0 peak 6701 volume 76889128 hpm1 115.168 ppm1 6.905 ppm2 0.505
!# peak 6797-----------------------------------------------
assi (attr store1 < 3.707 and attr store1 > 3.587)
    ((attr store1 < 7.804 and attr store1 > 7.744)
     and bondedto (attr store1 < 114.534 and attr store1 > 113.934))
6 6 0 peak 6797 volume 54912136 hpm1 114.234 ppm1 7.774 ppm2 3.647
!# peak 6799-----------------------------------------------
assi (attr store1 < 3.470 and attr store1 > 3.350)
    ((attr store1 < 7.807 and attr store1 > 7.747)
     and bondedto (attr store1 < 114.531 and attr store1 > 113.931))
6 6 0 peak 6799 volume 33870132 hpm1 114.231 ppm1 7.777 ppm2 3.410
!# peak 6818-----------------------------------------------
assi (attr store1 < 1.787 and attr store1 > 1.667)
    ((attr store1 < 7.805 and attr store1 > 7.745)
     and bondedto (attr store1 < 114.5 and attr store1 > 113.9))
6 6 0 peak 6818 volume 57824744 hpm1 114.2 ppm1 7.775 ppm2 1.727
!# peak 6828-----------------------------------------------
assi (attr store1 < 1.511 and attr store1 > 1.391)
    ((attr store1 < 7.805 and attr store1 > 7.745)
     and bondedto (attr store1 < 114.512 and attr store1 > 113.912))
6 6 0 peak 6828 volume 53974964 hpm1 114.212 ppm1 7.775 ppm2 1.451
!# peak 6832-----------------------------------------------
assi (attr store1 < 0.967 and attr store1 > 0.847)
    ((attr store1 < 7.281 and attr store1 > 7.221)
     and bondedto (attr store1 < 114.507 and attr store1 > 113.907))
6 6 0 peak 6832 volume 31917950 hpm1 114.207 ppm1 7.251 ppm2 0.907
!# peak 6833-----------------------------------------------
assi (attr store1 < 0.879 and attr store1 > 0.759)
    ((attr store1 < 7.806 and attr store1 > 7.746)
     and bondedto (attr store1 < 114.497 and attr store1 > 113.897))
6 6 0 peak 6833 volume 64734532 hpm1 114.197 ppm1 7.776 ppm2 0.819
!# peak 6837-----------------------------------------------
assi (attr store1 < 0.464 and attr store1 > 0.344)
    ((attr store1 < 7.804 and attr store1 > 7.744)
     and bondedto (attr store1 < 114.501 and attr store1 > 113.901))
6 6 0 peak 6837 volume 57293320 hpm1 114.201 ppm1 7.774 ppm2 0.404
!# peak 6839-----------------------------------------------
assi (attr store1 < 0.148 and attr store1 > 0.028)
    ((attr store1 < 7.806 and attr store1 > 7.746)
     and bondedto (attr store1 < 114.540 and attr store1 > 113.940))
6 6 0 peak 6839 volume 56340920 hpm1 114.240 ppm1 7.776 ppm2 0.088
!# peak 6840-----------------------------------------------
assi (attr store1 < 0.013 and attr store1 > -0.106)
    ((attr store1 < 7.788 and attr store1 > 7.728)
     and bondedto (attr store1 < 114.523 and attr store1 > 113.923))
6 6 0 peak 6840 volume 74624992 hpm1 114.223 ppm1 7.758 ppm2 -0.046
!# peak 6943-----------------------------------------------
assi (attr store1 < 1.423 and attr store1 > 1.303)
    ((attr store1 < 7.279 and attr store1 > 7.219)
     and bondedto (attr store1 < 114.293 and attr store1 > 113.693))
6 6 0 peak 6943 volume 51560360 hpm1 113.993 ppm1 7.249 ppm2 1.363
!# peak 6944-----------------------------------------------
assi (attr store1 < 1.428 and attr store1 > 1.308)
    ((attr store1 < 7.037 and attr store1 > 6.977)
     and bondedto (attr store1 < 114.213 and attr store1 > 113.613))
6 6 0 peak 6944 volume 45246000 hpm1 113.913 ppm1 7.007 ppm2 1.368
!# peak 6945-----------------------------------------------
assi (attr store1 < 0.965 and attr store1 > 0.845)
    ((attr store1 < 7.038 and attr store1 > 6.978)
     and bondedto (attr store1 < 114.220 and attr store1 > 113.620))
6 6 0 peak 6945 volume 146306496 hpm1 113.920 ppm1 7.008 ppm2 0.905
!# peak 6950-----------------------------------------------
assi (attr store1 < 0.650 and attr store1 > 0.530)
    ((attr store1 < 7.038 and attr store1 > 6.978)
     and bondedto (attr store1 < 114.221 and attr store1 > 113.621))
6 6 0 peak 6950 volume 131288392 hpm1 113.921 ppm1 7.008 ppm2 0.590
!# peak 6961-----------------------------------------------
assi (attr store1 < -0.083 and attr store1 > -0.203)
    ((attr store1 < 7.039 and attr store1 > 6.979)
     and bondedto (attr store1 < 114.295 and attr store1 > 113.695))
6 6 0 peak 6961 volume 2493948 hpm1 113.995 ppm1 7.009 ppm2 -0.143
!# peak 7008-----------------------------------------------
assi (attr store1 < 4.104 and attr store1 > 3.984)
    ((attr store1 < 7.803 and attr store1 > 7.743)
     and bondedto (attr store1 < 114.304 and attr store1 > 113.704))
6 6 0 peak 7008 volume 51655632 hpm1 114.004 ppm1 7.773 ppm2 4.044
!# peak 7009-----------------------------------------------
assi (attr store1 < 3.925 and attr store1 > 3.805)
    ((attr store1 < 7.806 and attr store1 > 7.746)
     and bondedto (attr store1 < 114.321 and attr store1 > 113.721))
6 6 0 peak 7009 volume 82633720 hpm1 114.021 ppm1 7.776 ppm2 3.865
!# peak 7011-----------------------------------------------
assi (attr store1 < 3.735 and attr store1 > 3.615)
    ((attr store1 < 7.804 and attr store1 > 7.744)
     and bondedto (attr store1 < 114.334 and attr store1 > 113.734))
6 6 0 peak 7011 volume 61373728 hpm1 114.034 ppm1 7.774 ppm2 3.675
!# peak 7012-----------------------------------------------
assi (attr store1 < 2.511 and attr store1 > 2.391)
    ((attr store1 < 6.529 and attr store1 > 6.469)
     and bondedto (attr store1 < 118.249 and attr store1 > 117.649))
6 6 0 peak 7012 volume 2419012 hpm1 117.949 ppm1 6.499 ppm2 2.451
!# peak 7013-----------------------------------------------
assi (attr store1 < 4.787 and attr store1 > 4.667)
    ((attr store1 < 6.530 and attr store1 > 6.470)
     and bondedto (attr store1 < 118.337 and attr store1 > 117.737))
6 6 0 peak 7013 volume 122271296 hpm1 118.037 ppm1 6.500 ppm2 4.727
!# peak 7014-----------------------------------------------
assi (attr store1 < 2.062 and attr store1 > 1.942)
    ((attr store1 < 6.835 and attr store1 > 6.775)
     and bondedto (attr store1 < 118.621 and attr store1 > 118.021))
6 6 0 peak 7014 volume 41309760 hpm1 118.321 ppm1 6.805 ppm2 2.002
!# peak 7015-----------------------------------------------
assi (attr store1 < 1.787 and attr store1 > 1.667)
    ((attr store1 < 6.847 and attr store1 > 6.787)
     and bondedto (attr store1 < 118.572 and attr store1 > 117.972))
6 6 0 peak 7015 volume 69467304 hpm1 118.272 ppm1 6.817 ppm2 1.727
!# peak 7016-----------------------------------------------
assi (attr store1 < 4.470 and attr store1 > 4.350)
    ((attr store1 < 6.849 and attr store1 > 6.789)
     and bondedto (attr store1 < 118.399 and attr store1 > 117.799))
6 6 0 peak 7016 volume 433268192 hpm1 118.099 ppm1 6.819 ppm2 4.410
!# peak 7017-----------------------------------------------
assi (attr store1 < 1.506 and attr store1 > 1.386)
    ((attr store1 < 7.165 and attr store1 > 7.105)
     and bondedto (attr store1 < 119.852 and attr store1 > 119.252))
6 6 0 peak 7017 volume 258531088 hpm1 119.552 ppm1 7.135 ppm2 1.446
!# peak 7018-----------------------------------------------
assi (attr store1 < 1.062 and attr store1 > 0.942)
    ((attr store1 < 7.164 and attr store1 > 7.104)
     and bondedto (attr store1 < 119.837 and attr store1 > 119.237))
6 6 0 peak 7018 volume 108125704 hpm1 119.537 ppm1 7.134 ppm2 1.002
!# peak 7019-----------------------------------------------
assi (attr store1 < 7.024 and attr store1 > 6.904)
    ((attr store1 < 7.826 and attr store1 > 7.766)
     and bondedto (attr store1 < 121.052 and attr store1 > 120.152))
6 6 0 peak 7019 volume 172812512 hpm1 120.752 ppm1 7.796 ppm2 6.964
!# peak 7020-----------------------------------------------
assi (attr store1 < 3.885 and attr store1 > 3.765)
    ((attr store1 < 6.098 and attr store1 > 6.038)
     and bondedto (attr store1 < 122.197 and attr store1 > 121.597))
6 6 0 peak 7020 volume 68799904 hpm1 121.897 ppm1 6.068 ppm2 3.825
!# peak 7021-----------------------------------------------
assi (attr store1 < 3.425 and attr store1 > 3.305)
    ((attr store1 < 6.082 and attr store1 > 6.022)
     and bondedto (attr store1 < 122.222 and attr store1 > 121.622))
6 6 0 peak 7021 volume 63079768 hpm1 121.922 ppm1 6.052 ppm2 3.365
!# peak 7022-----------------------------------------------
assi (attr store1 < 2.610 and attr store1 > 2.490)
    ((attr store1 < 6.083 and attr store1 > 6.023)
     and bondedto (attr store1 < 122.135 and attr store1 > 121.535))
6 6 0 peak 7022 volume 13912000 hpm1 121.835 ppm1 6.053 ppm2 2.550
!# peak 7023-----------------------------------------------
assi (attr store1 < 1.829 and attr store1 > 1.709)
    ((attr store1 < 6.082 and attr store1 > 6.022)
     and bondedto (attr store1 < 122.194 and attr store1 > 121.594))
6 6 0 peak 7023 volume 13362560 hpm1 121.894 ppm1 6.052 ppm2 1.769
!# peak 7024-----------------------------------------------
assi (attr store1 < 1.469 and attr store1 > 1.349)
    ((attr store1 < 6.081 and attr store1 > 6.021)
     and bondedto (attr store1 < 122.201 and attr store1 > 121.601))
6 6 0 peak 7024 volume 70049648 hpm1 121.901 ppm1 6.051 ppm2 1.409
!# peak 7025-----------------------------------------------
assi (attr store1 < 1.058 and attr store1 > 0.938)
    ((attr store1 < 6.082 and attr store1 > 6.022)
     and bondedto (attr store1 < 122.167 and attr store1 > 121.567))
6 6 0 peak 7025 volume 137971200 hpm1 121.867 ppm1 6.052 ppm2 0.998
!# peak 7026-----------------------------------------------
assi (attr store1 < 0.602 and attr store1 > 0.482)
    ((attr store1 < 6.081 and attr store1 > 6.021)
     and bondedto (attr store1 < 122.169 and attr store1 > 121.569))
6 6 0 peak 7026 volume 60072600 hpm1 121.869 ppm1 6.051 ppm2 0.542
!# peak 7027-----------------------------------------------
assi (attr store1 < 0.426 and attr store1 > 0.306)
    ((attr store1 < 6.084 and attr store1 > 6.024)
     and bondedto (attr store1 < 122.192 and attr store1 > 121.592))
6 6 0 peak 7027 volume 51838796 hpm1 121.892 ppm1 6.054 ppm2 0.366
!# peak 7029-----------------------------------------------
assi (attr store1 < 7.201 and attr store1 > 7.081)
    ((attr store1 < 6.082 and attr store1 > 6.022)
     and bondedto (attr store1 < 122.214 and attr store1 > 121.614))
6 6 0 peak 7029 volume 173577600 hpm1 121.914 ppm1 6.052 ppm2 7.141
!# peak 7030-----------------------------------------------
assi (attr store1 < 0.702 and attr store1 > 0.582)
    ((attr store1 < 6.988 and attr store1 > 6.928)
     and bondedto (attr store1 < 130.864 and attr store1 > 130.264))
6 6 0 peak 7030 volume 185874800 hpm1 130.564 ppm1 6.958 ppm2 0.642
!# peak 7031-----------------------------------------------
assi (attr store1 < 0.877 and attr store1 > 0.757)
    ((attr store1 < 6.875 and attr store1 > 6.815)
     and bondedto (attr store1 < 132.588 and attr store1 > 131.988))
6 6 0 peak 7031 volume 285730496 hpm1 132.288 ppm1 6.845 ppm2 0.817
!# peak 7032-----------------------------------------------
assi (attr store1 < 0.748 and attr store1 > 0.628)
    ((attr store1 < 7.168 and attr store1 > 7.108)
     and bondedto (attr store1 < 132.965 and attr store1 > 132.365))
6 6 0 peak 7032 volume 179303712 hpm1 132.665 ppm1 7.138 ppm2 0.688
!# peak 7034-----------------------------------------------
assi (attr store1 < 0.329 and attr store1 > 0.209)
    ((attr store1 < 7.168 and attr store1 > 7.108)
     and bondedto (attr store1 < 132.964 and attr store1 > 132.364))
6 6 0 peak 7034 volume 120709200 hpm1 132.664 ppm1 7.138 ppm2 0.269
!# peak 7035-----------------------------------------------
assi (attr store1 < 2.976 and attr store1 > 2.856)
    ((attr store1 < 7.167 and attr store1 > 7.107)
     and bondedto (attr store1 < 132.997 and attr store1 > 132.397))
6 6 0 peak 7035 volume 279750496 hpm1 132.697 ppm1 7.137 ppm2 2.916
!# peak 7036-----------------------------------------------
assi (attr store1 < 1.790 and attr store1 > 1.670)
    ((attr store1 < 7.103 and attr store1 > 7.043)
     and bondedto (attr store1 < 133.715 and attr store1 > 133.115))
6 6 0 peak 7036 volume 153114896 hpm1 133.415 ppm1 7.073 ppm2 1.730
! All these residues have HN-HN noe and their amide proton
! slowly exchanges in D2O -- the following remain after 30min.
!
assign ( resid 31 and name O ) ( resid 35 and name HN ) 1.8 0.3 0.7
assign ( resid 31 and name O ) ( resid 35 and name N ) 2.8 0.3 0.7
assign ( resid 32 and name O ) ( resid 36 and name HN ) 1.8 0.3 0.7
assign ( resid 32 and name O ) ( resid 36 and name N ) 2.8 0.3 0.7
assign ( resid 33 and name O ) ( resid 37 and name HN ) 1.8 0.3 0.7
assign ( resid 33 and name O ) ( resid 37 and name N ) 2.8 0.3 0.7
assign ( resid 40 and name O ) ( resid 44 and name HN ) 1.8 0.3 0.7
assign ( resid 40 and name O ) ( resid 44 and name N ) 2.8 0.3 0.7
assign ( resid 41 and name O ) ( resid 45 and name HN ) 1.8 0.3 0.7
assign ( resid 41 and name O ) ( resid 45 and name N ) 2.8 0.3 0.7
assign ( resid 42 and name O ) ( resid 46 and name HN ) 1.8 0.3 0.7
assign ( resid 42 and name O ) ( resid 46 and name N ) 2.8 0.3 0.7
assign ( resid 68 and name O ) ( resid 72 and name HN ) 1.8 0.3 0.7
assign ( resid 68 and name O ) ( resid 72 and name N ) 2.8 0.3 0.7
!these remain through to 2h
assign ( resid 34 and name O ) ( resid 38 and name HN ) 1.8 0.3 0.7
assign ( resid 34 and name O ) ( resid 38 and name N ) 2.8 0.3 0.7
assign ( resid 35 and name O ) ( resid 39 and name HN ) 1.8 0.3 0.7
assign ( resid 35 and name O ) ( resid 39 and name N ) 2.8 0.3 0.7
assign ( resid 36 and name O ) ( resid 40 and name HN ) 1.8 0.3 0.7
assign ( resid 36 and name O ) ( resid 40 and name N ) 2.8 0.3 0.7
assign ( resid 37 and name O ) ( resid 41 and name HN ) 1.8 0.3 0.7
assign ( resid 37 and name O ) ( resid 41 and name N ) 2.8 0.3 0.7
assign ( resid 38 and name O ) ( resid 42 and name HN ) 1.8 0.3 0.7
assign ( resid 38 and name O ) ( resid 42 and name N ) 2.8 0.3 0.7
assign ( resid 39 and name O ) ( resid 43 and name HN ) 1.8 0.3 0.7
assign ( resid 39 and name O ) ( resid 43 and name N ) 2.8 0.3 0.7
!unknown partners
!assign ( resid 42 and name O ) ( resid 48 and name HN ) 1.8 0.3 0.7
!assign ( resid 42 and name O ) ( resid 48 and name N ) 2.8 0.3 0.7
assign ( resid 81 and name O ) ( resid 85 and name HN ) 1.8 0.3 0.7
assign ( resid 81 and name O ) ( resid 85 and name N ) 2.8 0.3 0.7
!3_10 helix? hbonds
!assign ( resid 52 and name O ) ( resid 55 and name HN ) 1.8 0.3 0.7
!assign ( resid 52 and name O ) ( resid 55 and name N ) 2.8 0.3 0.7
!assign ( resid 53 and name O ) ( resid 57 and name HN ) 1.8 0.3 0.7
!assign ( resid 53 and name O ) ( resid 57 and name N ) 2.8 0.3 0.7
!assign ( resid 54 and name O ) ( resid 58 and name HN ) 1.8 0.3 0.7
!assign ( resid 54 and name O ) ( resid 58 and name N ) 2.8 0.3 0.7
!assign ( resid 54 and name O ) ( resid 57 and name HN ) 1.8 0.3 0.7
!assign ( resid 54 and name O ) ( resid 57 and name N ) 2.8 0.3 0.7
!assign ( resid 55 and name O ) ( resid 58 and name HN ) 1.8 0.3 0.7
!assign ( resid 55 and name O ) ( resid 58 and name N ) 2.8 0.3 0.7
!methyl noes -- hard restraints
assign (resid 21 and name HG1% )(resid 23  and name HG2% ) 5.5  4.5 0.5
!
assign (resid 35 and name HG1% )(resid 39  and name HD1% ) 5.5  4.5 0.5
assign (resid 35 and name HG1% )(resid 59  and name HD1% ) 5.5  4.5 0.5
assign (resid 35 and name HG1% )(resid 59  and name HG2% ) 5.5  4.5 0.5
assign (resid 35 and name HG1% )(resid 64  and name HD2% ) 5.5  4.5 0.5
assign (resid 35 and name HG2% )(resid 59  and name HG2% ) 5.5  4.5 0.5
assign (resid 35 and name HG2% )(resid 64  and name HD2% ) 5.5  4.5 0.5
assign (resid 39 and name HD1% )(resid 35  and name HG2% ) 5.5  4.5 0.5
assign (resid 39 and name HD1% )(resid 51  and name HG1% ) 5.5  4.5 0.5
assign (resid 39 and name HD1% )(resid 53  and name HD1% ) 5.5  4.5 0.5
assign (resid 39 and name HD1% )(resid 53  and name HG2% ) 5.5  4.5 0.5
assign (resid 39 and name HD2% )(resid 51  and name HG1% ) 5.5  4.5 0.5
assign (resid 39 and name HD2% )(resid 53  and name HD1% ) 5.5  4.5 0.5
assign (resid 39 and name HD2% )(resid 53  and name HG2% ) 5.5  4.5 0.5
assign (resid 39 and name HD2% )(resid 84  and name HD1% ) 5.5  4.5 0.5
assign (resid 39 and name HD2% )(resid 84  and name HD2% ) 5.5  4.5 0.5
assign (resid 43 and name HG1% )(resid 48  and name HD1% ) 5.5  4.5 0.5
assign (resid 43 and name HG1% )(resid 51  and name HG2% ) 5.5  4.5 0.5
assign (resid 43 and name HG1% )(resid 53  and name HD1% ) 5.5  4.5 0.5
assign (resid 43 and name HG2% )(resid 48  and name HD1% ) 5.5  4.5 0.5
assign (resid 43 and name HG2% )(resid 53  and name HD1% ) 5.5  4.5 0.5
assign (resid 48 and name HD1% )(resid 83  and name HD1% ) 5.5  4.5 0.5
assign (resid 48 and name HD2% )(resid 83  and name HD1% ) 5.5  4.5 0.5
assign (resid 51 and name HG1% )(resid 43  and name HG2% ) 5.5  4.5 0.5
assign (resid 51 and name HG1% )(resid 53  and name HD1% ) 5.5  4.5 0.5
assign (resid 51 and name HG1% )(resid 53  and name HG2% ) 5.5  4.5 0.5
assign (resid 51 and name HG1% )(resid 76  and name HG2% ) 5.5  4.5 0.5
assign (resid 51 and name HG1% )(resid 84  and name HD1% ) 5.5  4.5 0.5
assign (resid 51 and name HG2% )(resid 76  and name HG2% ) 5.5  4.5 0.5
assign (resid 53 and name HD1% )(resid 54  and name HD2% ) 5.5  4.5 0.5
assign (resid 53 and name HG2% )(resid 54  and name HD2% ) 5.5  4.5 0.5
assign (resid 59 and name HD1% )(resid 64  and name HD1% ) 5.5  4.5 0.5
assign (resid 59 and name HD1% )(resid 75  and name HD1% ) 5.5  4.5 0.5
assign (resid 59 and name HD1% )(resid 75  and name HD2% ) 5.5  4.5 0.5
assign (resid 64 and name HD1% )(resid 35  and name HG1% ) 5.5  4.5 0.5
assign (resid 64 and name HD1% )(resid 59  and name HG2% ) 5.5  4.5 0.5
assign (resid 64 and name HD2% )(resid 59  and name HD1% ) 5.5  4.5 0.5
assign (resid 64 and name HD2% )(resid 59  and name HG2% ) 5.5  4.5 0.5
assign (resid 64 and name HD2% )(resid 88  and name HD1% ) 5.5  4.5 0.5
assign (resid 64 and name HD2% )(resid 88  and name HD2% ) 5.5  4.5 0.5
assign (resid 75 and name HD2% )(resid 55  and name HD1% ) 5.5  4.5 0.5
assign (resid 76 and name HG2% )(resid 84  and name HD1% ) 5.5  4.5 0.5
assign (resid 81 and name HB% )(resid 85  and name HD1% ) 5.5  4.5 0.5
assign (resid 83 and name HG2% )(resid 48  and name HD1% ) 5.5  4.5 0.5
assign (resid 84 and name HD1% )(resid 51  and name HG2% ) 5.5  4.5 0.5
assign (resid 85 and name HD1% )(resid 64  and name HD2% ) 5.5  4.5 0.5
!add met67
!assign (resid 67 and name HE% )(resid 59  and name HD1% ) 5.5  4.5 0.5
!assign (resid 67 and name HE% )(resid 59  and name HG2% ) 5.5  4.5 0.5
!assign (resid 67 and name HE% )(resid 64  and name HD1% ) 5.5  4.5 0.5
!assign (resid 67 and name HE% )(resid 75  and name HD1% ) 5.5  4.5 0.5
!assign (resid 67 and name HE% )(resid 75  and name HD2% ) 5.5  4.5 0.5
!amide to methyl NOEs
assign (resid 23 and name HN )(resid 21  and name HG2% ) 5.5  4.5 0.5
assign (resid 23 and name HN )(resid 22  and name HG1% ) 5.5  4.5 0.5
assign (resid 23 and name HN )(resid 22  and name HG2% ) 5.5  4.5 0.5
assign (resid 26 and name HN )(resid 25  and name HB% ) 5.5  4.5 0.5
assign (resid 26 and name HN )(resid 29  and name HD1% ) 5.5  4.5 0.5
assign (resid 28 and name HN )(resid 27  and name HB% ) 5.5  4.5 0.5
assign (resid 28 and name HN )(resid 27  and name HG% ) 5.5  4.5 0.5
assign (resid 40 and name HN )(resid 53  and name HD1% ) 5.5  4.5 0.5
assign (resid 42 and name HN )(resid 41  and name HB% ) 5.5  4.5 0.5
assign (resid 43 and name HN )(resid 42  and name HB% ) 5.5  4.5 0.5
assign (resid 44 and name HN )(resid 43  and name HB% ) 5.5  4.5 0.5
assign (resid 44 and name HN )(resid 43  and name HG1% ) 5.5  4.5 0.5
assign (resid 44 and name HN )(resid 43  and name HG2% ) 5.5  4.5 0.5
assign (resid 46 and name HN )(resid 42  and name HB% ) 5.5  4.5 0.5
assign (resid 46 and name HN )(resid 45  and name HB% ) 5.5  4.5 0.5
assign (resid 52 and name HD21 )(resid 54  and name HD1% ) 5.5  4.5 0.5
assign (resid 52 and name HD21 )(resid 55  and name HD2% ) 5.5  4.5 0.5
assign (resid 52 and name HD22 )(resid 54  and name HD1% ) 5.5  4.5 0.5
assign (resid 52 and name HD22 )(resid 55  and name HD2% ) 5.5  4.5 0.5
assign (resid 52 and name HN )(resid 51  and name HG1% ) 5.5  4.5 0.5
assign (resid 52 and name HN )(resid 51  and name HG2% ) 5.5  4.5 0.5
assign (resid 53 and name HN )(resid 51  and name HG1% ) 5.5  4.5 0.5
assign (resid 54 and name HN )(resid 53  and name HD1% ) 5.5  4.5 0.5
assign (resid 54 and name HN )(resid 53  and name HG1% ) 5.5  4.5 0.5
assign (resid 54 and name HN )(resid 53  and name HG2% ) 5.5  4.5 0.5
assign (resid 56 and name HN )(resid 35  and name HG1% ) 5.5  4.5 0.5
assign (resid 56 and name HN )(resid 57  and name HB% ) 5.5  4.5 0.5
assign (resid 56 and name HN )(resid 59  and name HD1% ) 5.5  4.5 0.5
assign (resid 56 and name HN )(resid 75  and name HG% ) 5.5  4.5 0.5
assign (resid 57 and name HE21 )(resid 54  and name HD2% ) 5.5  4.5 0.5
assign (resid 57 and name HE22 )(resid 54  and name HD1% ) 5.5  4.5 0.5
assign (resid 57 and name HE22 )(resid 54  and name HD2% ) 5.5  4.5 0.5
assign (resid 58 and name HN )(resid 32  and name HG2% ) 5.5  4.5 0.5
assign (resid 58 and name HN )(resid 57  and name HB% ) 5.5  4.5 0.5
assign (resid 58 and name HN )(resid 39  and name HG1% ) 5.5  4.5 0.5
assign (resid 59 and name HN )(resid 32  and name HG2% ) 5.5  4.5 0.5
assign (resid 60 and name HN )(resid 32  and name HG2% ) 5.5  4.5 0.5
assign (resid 60 and name HN )(resid 59  and name HG1% ) 5.5  4.5 0.5
assign (resid 60 and name HN )(resid 59  and name HG2% ) 5.5  4.5 0.5
assign (resid 60 and name HN )(resid 63  and name HB% ) 5.5  4.5 0.5
assign (resid 61 and name HN )(resid 32  and name HG2% ) 5.5  4.5 0.5
assign (resid 61 and name HN )(resid 35  and name HG2% ) 5.5  4.5 0.5
assign (resid 64 and name HN )(resid 59  and name HG2% ) 5.5  4.5 0.5
assign (resid 64 and name HN )(resid 63  and name HB% ) 5.5  4.5 0.5
assign (resid 65 and name HN )(resid 28  and name HG2% ) 5.5  4.5 0.5
!assign (resid 68 and name HN )(resid 67  and name HG% ) 5.5  4.5 0.5
!assign (resid 72 and name HN )(resid 67  and name HE% ) 5.5  4.5 0.5
assign (resid 72 and name HN )(resid 81  and name HB% ) 5.5  4.5 0.5
assign (resid 75 and name HN )(resid 73  and name HB% ) 5.5  4.5 0.5
assign (resid 75 and name HN )(resid 74  and name HB% ) 5.5  4.5 0.5
assign (resid 80 and name HD21 )(resid 51  and name HG2% ) 5.5  4.5 0.5
assign (resid 80 and name HD22 )(resid 51  and name HG2% ) 5.5  4.5 0.5
assign (resid 85 and name HN )(resid 81  and name HB% ) 5.5  4.5 0.5
assign (resid 86 and name HN )(resid 85  and name HG% ) 5.5  4.5 0.5

! 3Dim peaks from experiment erg_ncnoesy_good.mat
! peaks entity xpk:ncnoesy
! rough distances bound limits as distance = (&mycal/(volume^(1/6))
!# peak 7-----------------------------------------------
assi (attr store1 < 7.926 and attr store1 > 7.806)
    ((attr store1 < 0.481 and attr store1 > 0.421)
     and bondedto (attr store1 < 54.984 and attr store1 > 53.784))
6 6 0 peak 7 volume 37429900 hpm1 54.384 ppm1 0.451 ppm2 7.866
!# peak 8-----------------------------------------------
assi (attr store1 < 7.106 and attr store1 > 6.986)
    ((attr store1 < -0.133 and attr store1 > -0.193)
     and bondedto (attr store1 < 54.981 and attr store1 > 53.781))
6 6 0 peak 8 volume 22025700 hpm1 54.381 ppm1 -0.163 ppm2 7.046
!# peak 32-----------------------------------------------
assi (attr store1 < 1.468 and attr store1 > 1.348)
    ((attr store1 < 4.105 and attr store1 > 4.045)
     and bondedto (attr store1 < 54.962 and attr store1 > 53.762))
6 6 0 peak 32 volume 779713984 hpm1 54.362 ppm1 4.075 ppm2 1.408
!# peak 39-----------------------------------------------
assi (attr store1 < 0.978 and attr store1 > 0.858)
    ((attr store1 < 4.107 and attr store1 > 4.047)
     and bondedto (attr store1 < 54.956 and attr store1 > 53.756))
6 6 0 peak 39 volume 118561696 hpm1 54.356 ppm1 4.077 ppm2 0.918
!# peak 64-----------------------------------------------
assi (attr store1 < 4.795 and attr store1 > 4.675)
    ((attr store1 < 4.106 and attr store1 > 4.046)
     and bondedto (attr store1 < 54.843 and attr store1 > 53.643))
6 6 0 peak 64 volume 182880592 hpm1 54.243 ppm1 4.076 ppm2 4.735
!# peak 92-----------------------------------------------
assi (attr store1 < 7.747 and attr store1 > 7.627)
    ((attr store1 < 2.026 and attr store1 > 1.966)
     and bondedto (attr store1 < 54.625 and attr store1 > 53.425))
6 6 0 peak 92 volume 96904808 hpm1 54.025 ppm1 1.996 ppm2 7.687
!# peak 117-----------------------------------------------
assi (attr store1 < 8.654 and attr store1 > 8.534)
    ((attr store1 < 1.943 and attr store1 > 1.883)
     and bondedto (attr store1 < 54.419 and attr store1 > 53.219))
6 6 0 peak 117 volume 165956704 hpm1 53.819 ppm1 1.913 ppm2 8.594
!# peak 118-----------------------------------------------
assi (attr store1 < 7.940 and attr store1 > 7.820)
    ((attr store1 < 1.944 and attr store1 > 1.884)
     and bondedto (attr store1 < 54.414 and attr store1 > 53.214))
6 6 0 peak 118 volume 65193880 hpm1 53.814 ppm1 1.914 ppm2 7.880
!# peak 129-----------------------------------------------
assi (attr store1 < 3.781 and attr store1 > 3.661)
    ((attr store1 < 2.126 and attr store1 > 2.066)
     and bondedto (attr store1 < 54.426 and attr store1 > 53.226))
6 6 0 peak 129 volume 196602800 hpm1 53.826 ppm1 2.096 ppm2 3.721
!# peak 130-----------------------------------------------
assi (attr store1 < 3.783 and attr store1 > 3.663)
    ((attr store1 < 1.943 and attr store1 > 1.883)
     and bondedto (attr store1 < 54.418 and attr store1 > 53.218))
6 6 0 peak 130 volume 250040592 hpm1 53.818 ppm1 1.913 ppm2 3.723
!# peak 133-----------------------------------------------
assi (attr store1 < 2.650 and attr store1 > 2.530)
    ((attr store1 < 1.944 and attr store1 > 1.884)
     and bondedto (attr store1 < 54.410 and attr store1 > 53.210))
6 6 0 peak 133 volume 311241696 hpm1 53.810 ppm1 1.914 ppm2 2.590
!# peak 134-----------------------------------------------
assi (attr store1 < 2.194 and attr store1 > 2.074)
    ((attr store1 < 2.599 and attr store1 > 2.539)
     and bondedto (attr store1 < 54.424 and attr store1 > 53.224))
6 6 0 peak 134 volume 108479496 hpm1 53.824 ppm1 2.569 ppm2 2.134
!# peak 135-----------------------------------------------
assi (attr store1 < 2.011 and attr store1 > 1.891)
    ((attr store1 < 2.597 and attr store1 > 2.537)
     and bondedto (attr store1 < 54.436 and attr store1 > 53.236))
6 6 0 peak 135 volume 85587664 hpm1 53.836 ppm1 2.567 ppm2 1.951
!# peak 138-----------------------------------------------
assi (attr store1 < 1.060 and attr store1 > 0.940)
    ((attr store1 < 1.955 and attr store1 > 1.895)
     and bondedto (attr store1 < 54.428 and attr store1 > 53.228))
6 6 0 peak 138 volume 32159740 hpm1 53.828 ppm1 1.925 ppm2 1.000
!# peak 140-----------------------------------------------
assi (attr store1 < 0.882 and attr store1 > 0.762)
    ((attr store1 < 2.123 and attr store1 > 2.063)
     and bondedto (attr store1 < 54.404 and attr store1 > 53.204))
6 6 0 peak 140 volume 142491696 hpm1 53.804 ppm1 2.093 ppm2 0.822
!# peak 141-----------------------------------------------
assi (attr store1 < 0.887 and attr store1 > 0.767)
    ((attr store1 < 1.945 and attr store1 > 1.885)
     and bondedto (attr store1 < 54.425 and attr store1 > 53.225))
6 6 0 peak 141 volume 70614720 hpm1 53.825 ppm1 1.915 ppm2 0.827
!# peak 147-----------------------------------------------
assi (attr store1 < 9.075 and attr store1 > 8.955)
    ((attr store1 < 2.101 and attr store1 > 2.041)
     and bondedto (attr store1 < 54.225 and attr store1 > 53.025))
6 6 0 peak 147 volume 103260400 hpm1 53.625 ppm1 2.071 ppm2 9.015
!# peak 150-----------------------------------------------
assi (attr store1 < 7.921 and attr store1 > 7.801)
    ((attr store1 < 2.186 and attr store1 > 2.126)
     and bondedto (attr store1 < 54.230 and attr store1 > 53.030))
6 6 0 peak 150 volume 328412896 hpm1 53.630 ppm1 2.156 ppm2 7.861
!# peak 151-----------------------------------------------
assi (attr store1 < 7.922 and attr store1 > 7.802)
    ((attr store1 < 2.102 and attr store1 > 2.042)
     and bondedto (attr store1 < 54.227 and attr store1 > 53.027))
6 6 0 peak 151 volume 364749600 hpm1 53.627 ppm1 2.072 ppm2 7.862
!# peak 162-----------------------------------------------
assi (attr store1 < 4.114 and attr store1 > 3.994)
    ((attr store1 < 2.187 and attr store1 > 2.127)
     and bondedto (attr store1 < 54.227 and attr store1 > 53.027))
6 6 0 peak 162 volume 541390720 hpm1 53.627 ppm1 2.157 ppm2 4.054
!# peak 163-----------------------------------------------
assi (attr store1 < 4.013 and attr store1 > 3.893)
    ((attr store1 < 3.217 and attr store1 > 3.157)
     and bondedto (attr store1 < 54.230 and attr store1 > 53.030))
6 6 0 peak 163 volume 47708412 hpm1 53.630 ppm1 3.187 ppm2 3.953
!# peak 164-----------------------------------------------
assi (attr store1 < 2.785 and attr store1 > 2.665)
    ((attr store1 < 2.695 and attr store1 > 2.635)
     and bondedto (attr store1 < 54.225 and attr store1 > 53.025))
6 6 0 peak 164 volume 109415200 hpm1 53.625 ppm1 2.665 ppm2 2.725
!# peak 173-----------------------------------------------
assi (attr store1 < 1.187 and attr store1 > 1.067)
    ((attr store1 < 2.187 and attr store1 > 2.127)
     and bondedto (attr store1 < 54.221 and attr store1 > 53.021))
6 6 0 peak 173 volume 224660208 hpm1 53.621 ppm1 2.157 ppm2 1.127
!# peak 183-----------------------------------------------
assi (attr store1 < 9.075 and attr store1 > 8.955)
    ((attr store1 < 2.187 and attr store1 > 2.127)
     and bondedto (attr store1 < 54.077 and attr store1 > 52.877))
6 6 0 peak 183 volume 97984752 hpm1 53.477 ppm1 2.157 ppm2 9.015
!# peak 185-----------------------------------------------
assi (attr store1 < 8.334 and attr store1 > 8.214)
    ((attr store1 < 3.217 and attr store1 > 3.157)
     and bondedto (attr store1 < 54.069 and attr store1 > 52.869))
6 6 0 peak 185 volume 353656192 hpm1 53.469 ppm1 3.187 ppm2 8.274
!# peak 186-----------------------------------------------
assi (attr store1 < 7.943 and attr store1 > 7.823)
    ((attr store1 < 2.346 and attr store1 > 2.286)
     and bondedto (attr store1 < 54.059 and attr store1 > 52.859))
6 6 0 peak 186 volume 34187068 hpm1 53.459 ppm1 2.316 ppm2 7.883
!# peak 187-----------------------------------------------
assi (attr store1 < 7.873 and attr store1 > 7.753)
    ((attr store1 < 3.217 and attr store1 > 3.157)
     and bondedto (attr store1 < 54.072 and attr store1 > 52.872))
6 6 0 peak 187 volume 153307712 hpm1 53.472 ppm1 3.187 ppm2 7.813
!# peak 194-----------------------------------------------
assi (attr store1 < 6.983 and attr store1 > 6.863)
    ((attr store1 < 3.216 and attr store1 > 3.156)
     and bondedto (attr store1 < 54.065 and attr store1 > 52.865))
6 6 0 peak 194 volume 69451176 hpm1 53.465 ppm1 3.186 ppm2 6.923
!# peak 233-----------------------------------------------
assi (attr store1 < 4.244 and attr store1 > 4.124)
    ((attr store1 < 3.217 and attr store1 > 3.157)
     and bondedto (attr store1 < 54.071 and attr store1 > 52.871))
6 6 0 peak 233 volume 632390016 hpm1 53.471 ppm1 3.187 ppm2 4.184
!# peak 234-----------------------------------------------
assi (attr store1 < 4.112 and attr store1 > 3.992)
    ((attr store1 < 2.099 and attr store1 > 2.039)
     and bondedto (attr store1 < 54.066 and attr store1 > 52.866))
6 6 0 peak 234 volume 1109346944 hpm1 53.466 ppm1 2.069 ppm2 4.052
!# peak 242-----------------------------------------------
assi (attr store1 < 2.337 and attr store1 > 2.217)
    ((attr store1 < 1.983 and attr store1 > 1.923)
     and bondedto (attr store1 < 54.045 and attr store1 > 52.845))
6 6 0 peak 242 volume 0.5789425e+10 hpm1 53.445 ppm1 1.953 ppm2 2.277
!# peak 244-----------------------------------------------
assi (attr store1 < 2.160 and attr store1 > 2.040)
    ((attr store1 < 2.483 and attr store1 > 2.423)
     and bondedto (attr store1 < 54.044 and attr store1 > 52.844))
6 6 0 peak 244 volume 82458064 hpm1 53.444 ppm1 2.453 ppm2 2.100
!# peak 245-----------------------------------------------
assi (attr store1 < 2.159 and attr store1 > 2.039)
    ((attr store1 < 2.347 and attr store1 > 2.287)
     and bondedto (attr store1 < 54.039 and attr store1 > 52.839))
6 6 0 peak 245 volume 0.2375571e+10 hpm1 53.439 ppm1 2.317 ppm2 2.099
!# peak 246-----------------------------------------------
assi (attr store1 < 1.787 and attr store1 > 1.667)
    ((attr store1 < 3.229 and attr store1 > 3.169)
     and bondedto (attr store1 < 54.072 and attr store1 > 52.872))
6 6 0 peak 246 volume 32633760 hpm1 53.472 ppm1 3.199 ppm2 1.727
!# peak 248-----------------------------------------------
assi (attr store1 < 1.188 and attr store1 > 1.068)
    ((attr store1 < 2.101 and attr store1 > 2.041)
     and bondedto (attr store1 < 54.076 and attr store1 > 52.876))
6 6 0 peak 248 volume 461733408 hpm1 53.476 ppm1 2.071 ppm2 1.128
!# peak 257-----------------------------------------------
assi (attr store1 < 7.911 and attr store1 > 7.791)
    ((attr store1 < 1.755 and attr store1 > 1.695)
     and bondedto (attr store1 < 53.854 and attr store1 > 52.654))
6 6 0 peak 257 volume 23278770 hpm1 53.254 ppm1 1.725 ppm2 7.851
!# peak 258-----------------------------------------------
assi (attr store1 < 7.469 and attr store1 > 7.349)
    ((attr store1 < 2.346 and attr store1 > 2.286)
     and bondedto (attr store1 < 53.887 and attr store1 > 52.687))
6 6 0 peak 258 volume 160446496 hpm1 53.287 ppm1 2.316 ppm2 7.409
!# peak 259-----------------------------------------------
assi (attr store1 < 7.469 and attr store1 > 7.349)
    ((attr store1 < 2.118 and attr store1 > 2.058)
     and bondedto (attr store1 < 53.892 and attr store1 > 52.692))
6 6 0 peak 259 volume 178165488 hpm1 53.292 ppm1 2.088 ppm2 7.409
!# peak 269-----------------------------------------------
assi (attr store1 < 4.373 and attr store1 > 4.253)
    ((attr store1 < 2.117 and attr store1 > 2.057)
     and bondedto (attr store1 < 53.890 and attr store1 > 52.690))
6 6 0 peak 269 volume 254390304 hpm1 53.290 ppm1 2.087 ppm2 4.313
!# peak 270-----------------------------------------------
assi (attr store1 < 3.891 and attr store1 > 3.771)
    ((attr store1 < 1.753 and attr store1 > 1.693)
     and bondedto (attr store1 < 53.855 and attr store1 > 52.655))
6 6 0 peak 270 volume 25438010 hpm1 53.255 ppm1 1.723 ppm2 3.831
!# peak 279-----------------------------------------------
assi (attr store1 < 1.703 and attr store1 > 1.583)
    ((attr store1 < 2.329 and attr store1 > 2.269)
     and bondedto (attr store1 < 53.863 and attr store1 > 52.663))
6 6 0 peak 279 volume 237068992 hpm1 53.263 ppm1 2.299 ppm2 1.643
!# peak 291-----------------------------------------------
assi (attr store1 < 8.198 and attr store1 > 8.078)
    ((attr store1 < 2.078 and attr store1 > 2.018)
     and bondedto (attr store1 < 53.687 and attr store1 > 52.487))
6 6 0 peak 291 volume 274571296 hpm1 53.087 ppm1 2.048 ppm2 8.138
!# peak 299-----------------------------------------------
assi (attr store1 < 7.654 and attr store1 > 7.534)
    ((attr store1 < 2.165 and attr store1 > 2.105)
     and bondedto (attr store1 < 53.674 and attr store1 > 52.474))
6 6 0 peak 299 volume 361812416 hpm1 53.074 ppm1 2.135 ppm2 7.594
!# peak 313-----------------------------------------------
assi (attr store1 < 3.975 and attr store1 > 3.855)
    ((attr store1 < 2.007 and attr store1 > 1.947)
     and bondedto (attr store1 < 53.672 and attr store1 > 52.472))
6 6 0 peak 313 volume 873981184 hpm1 53.072 ppm1 1.977 ppm2 3.915
!# peak 315-----------------------------------------------
assi (attr store1 < 3.528 and attr store1 > 3.408)
    ((attr store1 < 3.298 and attr store1 > 3.238)
     and bondedto (attr store1 < 53.691 and attr store1 > 52.491))
6 6 0 peak 315 volume 233254000 hpm1 53.091 ppm1 3.268 ppm2 3.468
!# peak 316-----------------------------------------------
assi (attr store1 < 3.346 and attr store1 > 3.226)
    ((attr store1 < 3.479 and attr store1 > 3.419)
     and bondedto (attr store1 < 53.696 and attr store1 > 52.496))
6 6 0 peak 316 volume 223968000 hpm1 53.096 ppm1 3.449 ppm2 3.286
!# peak 319-----------------------------------------------
assi (attr store1 < 2.546 and attr store1 > 2.426)
    ((attr store1 < 2.340 and attr store1 > 2.280)
     and bondedto (attr store1 < 53.665 and attr store1 > 52.465))
6 6 0 peak 319 volume 1611499904 hpm1 53.065 ppm1 2.310 ppm2 2.486
!# peak 320-----------------------------------------------
assi (attr store1 < 2.607 and attr store1 > 2.487)
    ((attr store1 < 1.986 and attr store1 > 1.926)
     and bondedto (attr store1 < 53.700 and attr store1 > 52.500))
6 6 0 peak 320 volume 460523488 hpm1 53.100 ppm1 1.956 ppm2 2.547
!# peak 322-----------------------------------------------
assi (attr store1 < 1.974 and attr store1 > 1.854)
    ((attr store1 < 1.682 and attr store1 > 1.622)
     and bondedto (attr store1 < 53.680 and attr store1 > 52.480))
6 6 0 peak 322 volume 1605502976 hpm1 53.080 ppm1 1.652 ppm2 1.914
!# peak 324-----------------------------------------------
assi (attr store1 < 2.060 and attr store1 > 1.940)
    ((attr store1 < 2.552 and attr store1 > 2.492)
     and bondedto (attr store1 < 53.692 and attr store1 > 52.492))
6 6 0 peak 324 volume 84151576 hpm1 53.092 ppm1 2.522 ppm2 2.000
!# peak 326-----------------------------------------------
assi (attr store1 < 1.740 and attr store1 > 1.620)
    ((attr store1 < 2.551 and attr store1 > 2.491)
     and bondedto (attr store1 < 53.697 and attr store1 > 52.497))
6 6 0 peak 326 volume 51823860 hpm1 53.097 ppm1 2.521 ppm2 1.680
!# peak 327-----------------------------------------------
assi (attr store1 < 1.739 and attr store1 > 1.619)
    ((attr store1 < 2.417 and attr store1 > 2.357)
     and bondedto (attr store1 < 53.702 and attr store1 > 52.502))
6 6 0 peak 327 volume 46280892 hpm1 53.102 ppm1 2.387 ppm2 1.679
!# peak 328-----------------------------------------------
assi (attr store1 < 1.745 and attr store1 > 1.625)
    ((attr store1 < 2.169 and attr store1 > 2.109)
     and bondedto (attr store1 < 53.690 and attr store1 > 52.490))
6 6 0 peak 328 volume 574614528 hpm1 53.090 ppm1 2.139 ppm2 1.685
!# peak 329-----------------------------------------------
assi (attr store1 < 1.739 and attr store1 > 1.619)
    ((attr store1 < 2.012 and attr store1 > 1.952)
     and bondedto (attr store1 < 53.685 and attr store1 > 52.485))
6 6 0 peak 329 volume 602720640 hpm1 53.085 ppm1 1.982 ppm2 1.679
!# peak 334-----------------------------------------------
assi (attr store1 < 2.993 and attr store1 > 2.873)
    ((attr store1 < 1.619 and attr store1 > 1.559)
     and bondedto (attr store1 < 53.676 and attr store1 > 52.476))
6 6 0 peak 334 volume 386608608 hpm1 53.076 ppm1 1.589 ppm2 2.933
!# peak 336-----------------------------------------------
assi (attr store1 < 1.520 and attr store1 > 1.400)
    ((attr store1 < 1.732 and attr store1 > 1.672)
     and bondedto (attr store1 < 53.706 and attr store1 > 52.506))
6 6 0 peak 336 volume 0.5540683e+10 hpm1 53.106 ppm1 1.702 ppm2 1.460
!# peak 338-----------------------------------------------
assi (attr store1 < 0.833 and attr store1 > 0.713)
    ((attr store1 < 1.983 and attr store1 > 1.923)
     and bondedto (attr store1 < 53.694 and attr store1 > 52.494))
6 6 0 peak 338 volume 87193136 hpm1 53.094 ppm1 1.953 ppm2 0.773
!# peak 340-----------------------------------------------
assi (attr store1 < 0.570 and attr store1 > 0.450)
    ((attr store1 < 2.075 and attr store1 > 2.015)
     and bondedto (attr store1 < 53.702 and attr store1 > 52.502))
6 6 0 peak 340 volume 143956608 hpm1 53.102 ppm1 2.045 ppm2 0.510
!# peak 341-----------------------------------------------
assi (attr store1 < 0.571 and attr store1 > 0.451)
    ((attr store1 < 1.985 and attr store1 > 1.925)
     and bondedto (attr store1 < 53.702 and attr store1 > 52.502))
6 6 0 peak 341 volume 99475136 hpm1 53.102 ppm1 1.955 ppm2 0.511
!# peak 351-----------------------------------------------
assi (attr store1 < 8.160 and attr store1 > 8.040)
    ((attr store1 < 2.164 and attr store1 > 2.104)
     and bondedto (attr store1 < 53.513 and attr store1 > 52.313))
6 6 0 peak 351 volume 169623696 hpm1 52.913 ppm1 2.134 ppm2 8.100
!# peak 352-----------------------------------------------
assi (attr store1 < 7.650 and attr store1 > 7.530)
    ((attr store1 < 2.009 and attr store1 > 1.949)
     and bondedto (attr store1 < 53.511 and attr store1 > 52.311))
6 6 0 peak 352 volume 245918496 hpm1 52.911 ppm1 1.979 ppm2 7.590
!# peak 405-----------------------------------------------
assi (attr store1 < 4.072 and attr store1 > 3.952)
    ((attr store1 < 1.630 and attr store1 > 1.570)
     and bondedto (attr store1 < 53.499 and attr store1 > 52.299))
6 6 0 peak 405 volume 109187496 hpm1 52.899 ppm1 1.600 ppm2 4.012
!# peak 406-----------------------------------------------
assi (attr store1 < 3.964 and attr store1 > 3.844)
    ((attr store1 < 2.164 and attr store1 > 2.104)
     and bondedto (attr store1 < 53.507 and attr store1 > 52.307))
6 6 0 peak 406 volume 554365824 hpm1 52.907 ppm1 2.134 ppm2 3.904
!# peak 414-----------------------------------------------
assi (attr store1 < 3.286 and attr store1 > 3.166)
    ((attr store1 < 2.166 and attr store1 > 2.106)
     and bondedto (attr store1 < 53.507 and attr store1 > 52.307))
6 6 0 peak 414 volume 133268504 hpm1 52.907 ppm1 2.136 ppm2 3.226
!# peak 415-----------------------------------------------
assi (attr store1 < 3.286 and attr store1 > 3.166)
    ((attr store1 < 2.009 and attr store1 > 1.949)
     and bondedto (attr store1 < 53.507 and attr store1 > 52.307))
6 6 0 peak 415 volume 145892608 hpm1 52.907 ppm1 1.979 ppm2 3.226
!# peak 419-----------------------------------------------
assi (attr store1 < 3.101 and attr store1 > 2.981)
    ((attr store1 < 1.740 and attr store1 > 1.680)
     and bondedto (attr store1 < 53.509 and attr store1 > 52.309))
6 6 0 peak 419 volume 352977088 hpm1 52.909 ppm1 1.710 ppm2 3.041
!# peak 431-----------------------------------------------
assi (attr store1 < 1.471 and attr store1 > 1.351)
    ((attr store1 < 1.631 and attr store1 > 1.571)
     and bondedto (attr store1 < 53.491 and attr store1 > 52.291))
6 6 0 peak 431 volume 0.3088558e+10 hpm1 52.891 ppm1 1.601 ppm2 1.411
!# peak 447-----------------------------------------------
assi (attr store1 < 8.507 and attr store1 > 8.387)
    ((attr store1 < 1.665 and attr store1 > 1.605)
     and bondedto (attr store1 < 53.296 and attr store1 > 52.096))
6 6 0 peak 447 volume 140004688 hpm1 52.696 ppm1 1.635 ppm2 8.447
!# peak 448-----------------------------------------------
assi (attr store1 < 8.507 and attr store1 > 8.387)
    ((attr store1 < 1.165 and attr store1 > 1.105)
     and bondedto (attr store1 < 53.298 and attr store1 > 52.098))
6 6 0 peak 448 volume 92183512 hpm1 52.698 ppm1 1.135 ppm2 8.447
!# peak 450-----------------------------------------------
assi (attr store1 < 8.022 and attr store1 > 7.902)
    ((attr store1 < 1.663 and attr store1 > 1.603)
     and bondedto (attr store1 < 53.275 and attr store1 > 52.075))
6 6 0 peak 450 volume 19726060 hpm1 52.675 ppm1 1.633 ppm2 7.962
!# peak 455-----------------------------------------------
assi (attr store1 < 3.788 and attr store1 > 3.668)
    ((attr store1 < 1.664 and attr store1 > 1.604)
     and bondedto (attr store1 < 53.300 and attr store1 > 52.100))
6 6 0 peak 455 volume 85200248 hpm1 52.700 ppm1 1.634 ppm2 3.728
!# peak 456-----------------------------------------------
assi (attr store1 < 3.788 and attr store1 > 3.668)
    ((attr store1 < 1.165 and attr store1 > 1.105)
     and bondedto (attr store1 < 53.303 and attr store1 > 52.103))
6 6 0 peak 456 volume 147152704 hpm1 52.703 ppm1 1.135 ppm2 3.728
!# peak 460-----------------------------------------------
assi (attr store1 < 2.015 and attr store1 > 1.895)
    ((attr store1 < 1.165 and attr store1 > 1.105)
     and bondedto (attr store1 < 53.301 and attr store1 > 52.101))
6 6 0 peak 460 volume 170037600 hpm1 52.701 ppm1 1.135 ppm2 1.955
!# peak 461-----------------------------------------------
assi (attr store1 < 1.707 and attr store1 > 1.587)
    ((attr store1 < 1.165 and attr store1 > 1.105)
     and bondedto (attr store1 < 53.296 and attr store1 > 52.096))
6 6 0 peak 461 volume 787919808 hpm1 52.696 ppm1 1.135 ppm2 1.647
!# peak 462-----------------------------------------------
assi (attr store1 < 1.707 and attr store1 > 1.587)
    ((attr store1 < 0.835 and attr store1 > 0.775)
     and bondedto (attr store1 < 53.282 and attr store1 > 52.082))
6 6 0 peak 462 volume 31321410 hpm1 52.682 ppm1 0.805 ppm2 1.647
!# peak 465-----------------------------------------------
assi (attr store1 < 1.202 and attr store1 > 1.082)
    ((attr store1 < 1.967 and attr store1 > 1.907)
     and bondedto (attr store1 < 53.307 and attr store1 > 52.107))
6 6 0 peak 465 volume 58473628 hpm1 52.707 ppm1 1.937 ppm2 1.142
!# peak 466-----------------------------------------------
assi (attr store1 < 1.207 and attr store1 > 1.087)
    ((attr store1 < 1.664 and attr store1 > 1.604)
     and bondedto (attr store1 < 53.301 and attr store1 > 52.101))
6 6 0 peak 466 volume 1001543040 hpm1 52.701 ppm1 1.634 ppm2 1.147
!# peak 468-----------------------------------------------
assi (attr store1 < 1.206 and attr store1 > 1.086)
    ((attr store1 < 0.836 and attr store1 > 0.776)
     and bondedto (attr store1 < 53.296 and attr store1 > 52.096))
6 6 0 peak 468 volume 47571628 hpm1 52.696 ppm1 0.806 ppm2 1.146
!# peak 469-----------------------------------------------
assi (attr store1 < 0.888 and attr store1 > 0.768)
    ((attr store1 < 1.665 and attr store1 > 1.605)
     and bondedto (attr store1 < 53.309 and attr store1 > 52.109))
6 6 0 peak 469 volume 458210784 hpm1 52.709 ppm1 1.635 ppm2 0.828
!# peak 470-----------------------------------------------
assi (attr store1 < 0.890 and attr store1 > 0.770)
    ((attr store1 < 1.165 and attr store1 > 1.105)
     and bondedto (attr store1 < 53.301 and attr store1 > 52.101))
6 6 0 peak 470 volume 372517408 hpm1 52.701 ppm1 1.135 ppm2 0.830
!# peak 472-----------------------------------------------
assi (attr store1 < 0.701 and attr store1 > 0.581)
    ((attr store1 < 1.665 and attr store1 > 1.605)
     and bondedto (attr store1 < 53.307 and attr store1 > 52.107))
6 6 0 peak 472 volume 156878400 hpm1 52.707 ppm1 1.635 ppm2 0.641
!# peak 473-----------------------------------------------
assi (attr store1 < 0.701 and attr store1 > 0.581)
    ((attr store1 < 1.164 and attr store1 > 1.104)
     and bondedto (attr store1 < 53.303 and attr store1 > 52.103))
6 6 0 peak 473 volume 70854504 hpm1 52.703 ppm1 1.134 ppm2 0.641
!# peak 477-----------------------------------------------
assi (attr store1 < 0.335 and attr store1 > 0.215)
    ((attr store1 < 1.667 and attr store1 > 1.607)
     and bondedto (attr store1 < 53.318 and attr store1 > 52.118))
6 6 0 peak 477 volume 59029840 hpm1 52.718 ppm1 1.637 ppm2 0.275
!# peak 478-----------------------------------------------
assi (attr store1 < 0.326 and attr store1 > 0.206)
    ((attr store1 < 1.165 and attr store1 > 1.105)
     and bondedto (attr store1 < 53.309 and attr store1 > 52.109))
6 6 0 peak 478 volume 78128968 hpm1 52.709 ppm1 1.135 ppm2 0.266
!# peak 483-----------------------------------------------
assi (attr store1 < 8.370 and attr store1 > 8.250)
    ((attr store1 < 0.394 and attr store1 > 0.334)
     and bondedto (attr store1 < 53.114 and attr store1 > 51.914))
6 6 0 peak 483 volume 252130592 hpm1 52.514 ppm1 0.364 ppm2 8.310
!# peak 484-----------------------------------------------
assi (attr store1 < 8.370 and attr store1 > 8.250)
    ((attr store1 < 0.121 and attr store1 > 0.061)
     and bondedto (attr store1 < 53.115 and attr store1 > 51.915))
6 6 0 peak 484 volume 168552000 hpm1 52.515 ppm1 0.091 ppm2 8.310
!# peak 485-----------------------------------------------
assi (attr store1 < 7.890 and attr store1 > 7.770)
    ((attr store1 < 0.394 and attr store1 > 0.334)
     and bondedto (attr store1 < 53.101 and attr store1 > 51.901))
6 6 0 peak 485 volume 53967500 hpm1 52.501 ppm1 0.364 ppm2 7.830
!# peak 486-----------------------------------------------
assi (attr store1 < 7.887 and attr store1 > 7.767)
    ((attr store1 < 0.121 and attr store1 > 0.061)
     and bondedto (attr store1 < 53.102 and attr store1 > 51.902))
6 6 0 peak 486 volume 92839816 hpm1 52.502 ppm1 0.091 ppm2 7.827
!# peak 488-----------------------------------------------
assi (attr store1 < 7.157 and attr store1 > 7.037)
    ((attr store1 < 1.389 and attr store1 > 1.329)
     and bondedto (attr store1 < 53.137 and attr store1 > 51.937))
6 6 0 peak 488 volume 155566896 hpm1 52.537 ppm1 1.359 ppm2 7.097
!# peak 489-----------------------------------------------
assi (attr store1 < 7.159 and attr store1 > 7.039)
    ((attr store1 < 0.987 and attr store1 > 0.927)
     and bondedto (attr store1 < 53.136 and attr store1 > 51.936))
6 6 0 peak 489 volume 107928904 hpm1 52.536 ppm1 0.957 ppm2 7.099
!# peak 492-----------------------------------------------
assi (attr store1 < 4.962 and attr store1 > 4.842)
    ((attr store1 < 1.667 and attr store1 > 1.607)
     and bondedto (attr store1 < 53.117 and attr store1 > 51.917))
6 6 0 peak 492 volume 12513021 hpm1 52.517 ppm1 1.637 ppm2 4.902
!# peak 495-----------------------------------------------
assi (attr store1 < 3.652 and attr store1 > 3.532)
    ((attr store1 < 1.377 and attr store1 > 1.317)
     and bondedto (attr store1 < 53.143 and attr store1 > 51.943))
6 6 0 peak 495 volume 91555768 hpm1 52.543 ppm1 1.347 ppm2 3.592
!# peak 496-----------------------------------------------
assi (attr store1 < 3.652 and attr store1 > 3.532)
    ((attr store1 < 0.987 and attr store1 > 0.927)
     and bondedto (attr store1 < 53.135 and attr store1 > 51.935))
6 6 0 peak 496 volume 140615408 hpm1 52.535 ppm1 0.957 ppm2 3.592
!# peak 497-----------------------------------------------
assi (attr store1 < 3.552 and attr store1 > 3.432)
    ((attr store1 < 0.394 and attr store1 > 0.334)
     and bondedto (attr store1 < 53.113 and attr store1 > 51.913))
6 6 0 peak 497 volume 189710304 hpm1 52.513 ppm1 0.364 ppm2 3.492
!# peak 498-----------------------------------------------
assi (attr store1 < 3.551 and attr store1 > 3.431)
    ((attr store1 < 0.121 and attr store1 > 0.061)
     and bondedto (attr store1 < 53.116 and attr store1 > 51.916))
6 6 0 peak 498 volume 109902800 hpm1 52.516 ppm1 0.091 ppm2 3.491
!# peak 501-----------------------------------------------
assi (attr store1 < 2.930 and attr store1 > 2.810)
    ((attr store1 < 0.394 and attr store1 > 0.334)
     and bondedto (attr store1 < 53.110 and attr store1 > 51.910))
6 6 0 peak 501 volume 79467824 hpm1 52.510 ppm1 0.364 ppm2 2.870
!# peak 502-----------------------------------------------
assi (attr store1 < 2.929 and attr store1 > 2.809)
    ((attr store1 < 0.120 and attr store1 > 0.060)
     and bondedto (attr store1 < 53.107 and attr store1 > 51.907))
6 6 0 peak 502 volume 134259504 hpm1 52.507 ppm1 0.090 ppm2 2.869
!# peak 503-----------------------------------------------
assi (attr store1 < 2.658 and attr store1 > 2.538)
    ((attr store1 < 1.390 and attr store1 > 1.330)
     and bondedto (attr store1 < 53.132 and attr store1 > 51.932))
6 6 0 peak 503 volume 29402470 hpm1 52.532 ppm1 1.360 ppm2 2.598
!# peak 505-----------------------------------------------
assi (attr store1 < 1.752 and attr store1 > 1.632)
    ((attr store1 < 1.393 and attr store1 > 1.333)
     and bondedto (attr store1 < 53.106 and attr store1 > 51.906))
6 6 0 peak 505 volume 5540653 hpm1 52.506 ppm1 1.363 ppm2 1.692
!# peak 507-----------------------------------------------
assi (attr store1 < 1.515 and attr store1 > 1.395)
    ((attr store1 < 2.190 and attr store1 > 2.130)
     and bondedto (attr store1 < 53.113 and attr store1 > 51.913))
6 6 0 peak 507 volume 368798912 hpm1 52.513 ppm1 2.160 ppm2 1.455
!# peak 510-----------------------------------------------
assi (attr store1 < 1.433 and attr store1 > 1.313)
    ((attr store1 < 0.632 and attr store1 > 0.572)
     and bondedto (attr store1 < 53.140 and attr store1 > 51.940))
6 6 0 peak 510 volume 47628600 hpm1 52.540 ppm1 0.602 ppm2 1.373
!# peak 511-----------------------------------------------
assi (attr store1 < 1.422 and attr store1 > 1.302)
    ((attr store1 < 0.394 and attr store1 > 0.334)
     and bondedto (attr store1 < 53.112 and attr store1 > 51.912))
6 6 0 peak 511 volume 138816000 hpm1 52.512 ppm1 0.364 ppm2 1.362
!# peak 512-----------------------------------------------
assi (attr store1 < 1.420 and attr store1 > 1.300)
    ((attr store1 < 0.120 and attr store1 > 0.060)
     and bondedto (attr store1 < 53.106 and attr store1 > 51.906))
6 6 0 peak 512 volume 171441088 hpm1 52.506 ppm1 0.090 ppm2 1.360
!# peak 513-----------------------------------------------
assi (attr store1 < 1.052 and attr store1 > 0.932)
    ((attr store1 < 1.389 and attr store1 > 1.329)
     and bondedto (attr store1 < 53.138 and attr store1 > 51.938))
6 6 0 peak 513 volume 1258302976 hpm1 52.538 ppm1 1.359 ppm2 0.992
!# peak 514-----------------------------------------------
assi (attr store1 < 1.052 and attr store1 > 0.932)
    ((attr store1 < 0.633 and attr store1 > 0.573)
     and bondedto (attr store1 < 53.147 and attr store1 > 51.947))
6 6 0 peak 514 volume 31759780 hpm1 52.547 ppm1 0.603 ppm2 0.992
!# peak 515-----------------------------------------------
assi (attr store1 < 0.959 and attr store1 > 0.839)
    ((attr store1 < 0.395 and attr store1 > 0.335)
     and bondedto (attr store1 < 53.108 and attr store1 > 51.908))
6 6 0 peak 515 volume 112739696 hpm1 52.508 ppm1 0.365 ppm2 0.899
!# peak 516-----------------------------------------------
assi (attr store1 < 0.959 and attr store1 > 0.839)
    ((attr store1 < 0.122 and attr store1 > 0.062)
     and bondedto (attr store1 < 53.108 and attr store1 > 51.908))
6 6 0 peak 516 volume 145128592 hpm1 52.508 ppm1 0.092 ppm2 0.899
!# peak 517-----------------------------------------------
assi (attr store1 < 0.694 and attr store1 > 0.574)
    ((attr store1 < 1.376 and attr store1 > 1.316)
     and bondedto (attr store1 < 53.137 and attr store1 > 51.937))
6 6 0 peak 517 volume 290810112 hpm1 52.537 ppm1 1.346 ppm2 0.634
!# peak 518-----------------------------------------------
assi (attr store1 < 0.694 and attr store1 > 0.574)
    ((attr store1 < 0.986 and attr store1 > 0.926)
     and bondedto (attr store1 < 53.137 and attr store1 > 51.937))
6 6 0 peak 518 volume 342411008 hpm1 52.537 ppm1 0.956 ppm2 0.634
!# peak 521-----------------------------------------------
assi (attr store1 < 0.460 and attr store1 > 0.340)
    ((attr store1 < 1.389 and attr store1 > 1.329)
     and bondedto (attr store1 < 53.141 and attr store1 > 51.941))
6 6 0 peak 521 volume 145930304 hpm1 52.541 ppm1 1.359 ppm2 0.400
!# peak 522-----------------------------------------------
assi (attr store1 < 0.434 and attr store1 > 0.314)
    ((attr store1 < 0.987 and attr store1 > 0.927)
     and bondedto (attr store1 < 53.131 and attr store1 > 51.931))
6 6 0 peak 522 volume 249682496 hpm1 52.531 ppm1 0.957 ppm2 0.374
!# peak 524-----------------------------------------------
assi (attr store1 < 0.514 and attr store1 > 0.394)
    ((attr store1 < 0.188 and attr store1 > 0.128)
     and bondedto (attr store1 < 53.110 and attr store1 > 51.910))
6 6 0 peak 524 volume 644279168 hpm1 52.510 ppm1 0.158 ppm2 0.454
!# peak 525-----------------------------------------------
assi (attr store1 < 0.188 and attr store1 > 0.068)
    ((attr store1 < 0.394 and attr store1 > 0.334)
     and bondedto (attr store1 < 53.110 and attr store1 > 51.910))
6 6 0 peak 525 volume 916798720 hpm1 52.510 ppm1 0.364 ppm2 0.128
!# peak 532-----------------------------------------------
assi (attr store1 < 9.140 and attr store1 > 9.020)
    ((attr store1 < 3.666 and attr store1 > 3.606)
     and bondedto (attr store1 < 52.921 and attr store1 > 51.721))
6 6 0 peak 532 volume 137565600 hpm1 52.321 ppm1 3.636 ppm2 9.080
!# peak 533-----------------------------------------------
assi (attr store1 < 8.512 and attr store1 > 8.392)
    ((attr store1 < 2.249 and attr store1 > 2.189)
     and bondedto (attr store1 < 52.949 and attr store1 > 51.749))
6 6 0 peak 533 volume 355230304 hpm1 52.349 ppm1 2.219 ppm2 8.452
!# peak 535-----------------------------------------------
assi (attr store1 < 7.333 and attr store1 > 7.213)
    ((attr store1 < 3.665 and attr store1 > 3.605)
     and bondedto (attr store1 < 52.917 and attr store1 > 51.717))
6 6 0 peak 535 volume 157947712 hpm1 52.317 ppm1 3.635 ppm2 7.273
!# peak 536-----------------------------------------------
assi (attr store1 < 7.341 and attr store1 > 7.221)
    ((attr store1 < 2.235 and attr store1 > 2.175)
     and bondedto (attr store1 < 52.965 and attr store1 > 51.765))
6 6 0 peak 536 volume 53138100 hpm1 52.365 ppm1 2.205 ppm2 7.281
!# peak 540-----------------------------------------------
assi (attr store1 < 5.047 and attr store1 > 4.927)
    ((attr store1 < 2.241 and attr store1 > 2.181)
     and bondedto (attr store1 < 52.946 and attr store1 > 51.746))
6 6 0 peak 540 volume 267529600 hpm1 52.346 ppm1 2.211 ppm2 4.987
!# peak 541-----------------------------------------------
assi (attr store1 < 4.420 and attr store1 > 4.300)
    ((attr store1 < 2.193 and attr store1 > 2.133)
     and bondedto (attr store1 < 52.951 and attr store1 > 51.751))
6 6 0 peak 541 volume 205686896 hpm1 52.351 ppm1 2.163 ppm2 4.360
!# peak 543-----------------------------------------------
assi (attr store1 < 4.241 and attr store1 > 4.121)
    ((attr store1 < 1.670 and attr store1 > 1.610)
     and bondedto (attr store1 < 52.922 and attr store1 > 51.722))
6 6 0 peak 543 volume 140417600 hpm1 52.322 ppm1 1.640 ppm2 4.181
!# peak 544-----------------------------------------------
assi (attr store1 < 4.106 and attr store1 > 3.986)
    ((attr store1 < 3.666 and attr store1 > 3.606)
     and bondedto (attr store1 < 52.915 and attr store1 > 51.715))
6 6 0 peak 544 volume 189123200 hpm1 52.315 ppm1 3.636 ppm2 4.046
!# peak 545-----------------------------------------------
assi (attr store1 < 4.106 and attr store1 > 3.986)
    ((attr store1 < 3.237 and attr store1 > 3.177)
     and bondedto (attr store1 < 52.916 and attr store1 > 51.716))
6 6 0 peak 545 volume 338044608 hpm1 52.316 ppm1 3.207 ppm2 4.046
!# peak 549-----------------------------------------------
assi (attr store1 < 3.324 and attr store1 > 3.204)
    ((attr store1 < 1.898 and attr store1 > 1.838)
     and bondedto (attr store1 < 52.916 and attr store1 > 51.716))
6 6 0 peak 549 volume 213219600 hpm1 52.316 ppm1 1.868 ppm2 3.264
!# peak 550-----------------------------------------------
assi (attr store1 < 3.324 and attr store1 > 3.204)
    ((attr store1 < 1.671 and attr store1 > 1.611)
     and bondedto (attr store1 < 52.917 and attr store1 > 51.717))
6 6 0 peak 550 volume 238048592 hpm1 52.317 ppm1 1.641 ppm2 3.264
!# peak 552-----------------------------------------------
assi (attr store1 < 2.655 and attr store1 > 2.535)
    ((attr store1 < 2.247 and attr store1 > 2.187)
     and bondedto (attr store1 < 52.953 and attr store1 > 51.753))
6 6 0 peak 552 volume 396377792 hpm1 52.353 ppm1 2.217 ppm2 2.595
!# peak 554-----------------------------------------------
assi (attr store1 < 2.494 and attr store1 > 2.374)
    ((attr store1 < 2.251 and attr store1 > 2.191)
     and bondedto (attr store1 < 52.950 and attr store1 > 51.750))
6 6 0 peak 554 volume 1235176064 hpm1 52.350 ppm1 2.221 ppm2 2.434
!# peak 559-----------------------------------------------
assi (attr store1 < 1.961 and attr store1 > 1.841)
    ((attr store1 < 1.670 and attr store1 > 1.610)
     and bondedto (attr store1 < 52.925 and attr store1 > 51.725))
6 6 0 peak 559 volume 0.5155934e+10 hpm1 52.325 ppm1 1.640 ppm2 1.901
!# peak 560-----------------------------------------------
assi (attr store1 < 1.737 and attr store1 > 1.617)
    ((attr store1 < 3.263 and attr store1 > 3.203)
     and bondedto (attr store1 < 52.919 and attr store1 > 51.719))
6 6 0 peak 560 volume 69264392 hpm1 52.319 ppm1 3.233 ppm2 1.677
!# peak 561-----------------------------------------------
assi (attr store1 < 1.734 and attr store1 > 1.614)
    ((attr store1 < 1.895 and attr store1 > 1.835)
     and bondedto (attr store1 < 52.922 and attr store1 > 51.722))
6 6 0 peak 561 volume 2104962048 hpm1 52.322 ppm1 1.865 ppm2 1.674
!# peak 573-----------------------------------------------
assi (attr store1 < 9.122 and attr store1 > 9.002)
    ((attr store1 < 3.236 and attr store1 > 3.176)
     and bondedto (attr store1 < 52.770 and attr store1 > 51.570))
6 6 0 peak 573 volume 86421136 hpm1 52.170 ppm1 3.206 ppm2 9.062
!# peak 575-----------------------------------------------
assi (attr store1 < 7.937 and attr store1 > 7.817)
    ((attr store1 < 3.666 and attr store1 > 3.606)
     and bondedto (attr store1 < 52.767 and attr store1 > 51.567))
6 6 0 peak 575 volume 345459712 hpm1 52.167 ppm1 3.636 ppm2 7.877
!# peak 576-----------------------------------------------
assi (attr store1 < 7.936 and attr store1 > 7.816)
    ((attr store1 < 3.237 and attr store1 > 3.177)
     and bondedto (attr store1 < 52.768 and attr store1 > 51.568))
6 6 0 peak 576 volume 317336000 hpm1 52.168 ppm1 3.207 ppm2 7.876
!# peak 579-----------------------------------------------
assi (attr store1 < 7.340 and attr store1 > 7.220)
    ((attr store1 < 1.898 and attr store1 > 1.838)
     and bondedto (attr store1 < 52.771 and attr store1 > 51.571))
6 6 0 peak 579 volume 90213296 hpm1 52.171 ppm1 1.868 ppm2 7.280
!# peak 580-----------------------------------------------
assi (attr store1 < 7.341 and attr store1 > 7.221)
    ((attr store1 < 1.670 and attr store1 > 1.610)
     and bondedto (attr store1 < 52.768 and attr store1 > 51.568))
6 6 0 peak 580 volume 56430060 hpm1 52.168 ppm1 1.640 ppm2 7.281
!# peak 581-----------------------------------------------
assi (attr store1 < 7.286 and attr store1 > 7.166)
    ((attr store1 < 3.237 and attr store1 > 3.177)
     and bondedto (attr store1 < 52.767 and attr store1 > 51.567))
6 6 0 peak 581 volume 165059696 hpm1 52.167 ppm1 3.207 ppm2 7.226
!# peak 585-----------------------------------------------
assi (attr store1 < 4.332 and attr store1 > 4.212)
    ((attr store1 < 3.666 and attr store1 > 3.606)
     and bondedto (attr store1 < 52.770 and attr store1 > 51.570))
6 6 0 peak 585 volume 87867800 hpm1 52.170 ppm1 3.636 ppm2 4.272
!# peak 586-----------------------------------------------
assi (attr store1 < 4.330 and attr store1 > 4.210)
    ((attr store1 < 3.237 and attr store1 > 3.177)
     and bondedto (attr store1 < 52.772 and attr store1 > 51.572))
6 6 0 peak 586 volume 57728820 hpm1 52.172 ppm1 3.207 ppm2 4.270
!# peak 587-----------------------------------------------
assi (attr store1 < 4.242 and attr store1 > 4.122)
    ((attr store1 < 1.896 and attr store1 > 1.836)
     and bondedto (attr store1 < 52.771 and attr store1 > 51.571))
6 6 0 peak 587 volume 129218504 hpm1 52.171 ppm1 1.866 ppm2 4.182
!# peak 593-----------------------------------------------
assi (attr store1 < 3.705 and attr store1 > 3.585)
    ((attr store1 < 3.237 and attr store1 > 3.177)
     and bondedto (attr store1 < 52.768 and attr store1 > 51.568))
6 6 0 peak 593 volume 1028772992 hpm1 52.168 ppm1 3.207 ppm2 3.645
!# peak 595-----------------------------------------------
assi (attr store1 < 3.290 and attr store1 > 3.170)
    ((attr store1 < 3.666 and attr store1 > 3.606)
     and bondedto (attr store1 < 52.767 and attr store1 > 51.567))
6 6 0 peak 595 volume 975695360 hpm1 52.167 ppm1 3.636 ppm2 3.230
!# peak 597-----------------------------------------------
assi (attr store1 < 1.965 and attr store1 > 1.845)
    ((attr store1 < 3.264 and attr store1 > 3.204)
     and bondedto (attr store1 < 52.769 and attr store1 > 51.569))
6 6 0 peak 597 volume 128580408 hpm1 52.169 ppm1 3.234 ppm2 1.905
!# peak 602-----------------------------------------------
assi (attr store1 < 0.840 and attr store1 > 0.720)
    ((attr store1 < 3.666 and attr store1 > 3.606)
     and bondedto (attr store1 < 52.763 and attr store1 > 51.563))
6 6 0 peak 602 volume 68698808 hpm1 52.163 ppm1 3.636 ppm2 0.780
!# peak 603-----------------------------------------------
assi (attr store1 < 0.838 and attr store1 > 0.718)
    ((attr store1 < 3.236 and attr store1 > 3.176)
     and bondedto (attr store1 < 52.767 and attr store1 > 51.567))
6 6 0 peak 603 volume 95373616 hpm1 52.167 ppm1 3.206 ppm2 0.778
!# peak 609-----------------------------------------------
assi (attr store1 < 8.703 and attr store1 > 8.583)
    ((attr store1 < 3.370 and attr store1 > 3.310)
     and bondedto (attr store1 < 52.552 and attr store1 > 51.352))
6 6 0 peak 609 volume 417950912 hpm1 51.952 ppm1 3.340 ppm2 8.643
!# peak 610-----------------------------------------------
assi (attr store1 < 8.701 and attr store1 > 8.581)
    ((attr store1 < 2.556 and attr store1 > 2.496)
     and bondedto (attr store1 < 52.551 and attr store1 > 51.351))
6 6 0 peak 610 volume 294300928 hpm1 51.951 ppm1 2.526 ppm2 8.641
!# peak 612-----------------------------------------------
assi (attr store1 < 7.885 and attr store1 > 7.765)
    ((attr store1 < 3.371 and attr store1 > 3.311)
     and bondedto (attr store1 < 52.553 and attr store1 > 51.353))
6 6 0 peak 612 volume 316853184 hpm1 51.953 ppm1 3.341 ppm2 7.825
!# peak 613-----------------------------------------------
assi (attr store1 < 7.886 and attr store1 > 7.766)
    ((attr store1 < 2.556 and attr store1 > 2.496)
     and bondedto (attr store1 < 52.549 and attr store1 > 51.349))
6 6 0 peak 613 volume 100748000 hpm1 51.949 ppm1 2.526 ppm2 7.826
!# peak 614-----------------------------------------------
assi (attr store1 < 7.505 and attr store1 > 7.385)
    ((attr store1 < 3.870 and attr store1 > 3.810)
     and bondedto (attr store1 < 52.522 and attr store1 > 51.322))
6 6 0 peak 614 volume 20632000 hpm1 51.922 ppm1 3.840 ppm2 7.445
!# peak 615-----------------------------------------------
assi (attr store1 < 7.514 and attr store1 > 7.394)
    ((attr store1 < 3.758 and attr store1 > 3.698)
     and bondedto (attr store1 < 52.531 and attr store1 > 51.331))
6 6 0 peak 615 volume 15353380 hpm1 51.931 ppm1 3.728 ppm2 7.454
!# peak 616-----------------------------------------------
assi (attr store1 < 7.214 and attr store1 > 7.094)
    ((attr store1 < 3.356 and attr store1 > 3.296)
     and bondedto (attr store1 < 52.539 and attr store1 > 51.339))
6 6 0 peak 616 volume 34691020 hpm1 51.939 ppm1 3.326 ppm2 7.154
!# peak 617-----------------------------------------------
assi (attr store1 < 7.205 and attr store1 > 7.085)
    ((attr store1 < 2.555 and attr store1 > 2.495)
     and bondedto (attr store1 < 52.554 and attr store1 > 51.354))
6 6 0 peak 617 volume 55551220 hpm1 51.954 ppm1 2.525 ppm2 7.145
!# peak 622-----------------------------------------------
assi (attr store1 < 6.654 and attr store1 > 6.534)
    ((attr store1 < 3.873 and attr store1 > 3.813)
     and bondedto (attr store1 < 52.544 and attr store1 > 51.344))
6 6 0 peak 622 volume 172980912 hpm1 51.944 ppm1 3.843 ppm2 6.594
!# peak 623-----------------------------------------------
assi (attr store1 < 6.654 and attr store1 > 6.534)
    ((attr store1 < 3.758 and attr store1 > 3.698)
     and bondedto (attr store1 < 52.540 and attr store1 > 51.340))
6 6 0 peak 623 volume 113234800 hpm1 51.940 ppm1 3.728 ppm2 6.594
!# peak 625-----------------------------------------------
assi (attr store1 < 6.152 and attr store1 > 6.032)
    ((attr store1 < 3.369 and attr store1 > 3.309)
     and bondedto (attr store1 < 52.557 and attr store1 > 51.357))
6 6 0 peak 625 volume 40151872 hpm1 51.957 ppm1 3.339 ppm2 6.092
!# peak 626-----------------------------------------------
assi (attr store1 < 6.150 and attr store1 > 6.030)
    ((attr store1 < 2.570 and attr store1 > 2.510)
     and bondedto (attr store1 < 52.552 and attr store1 > 51.352))
6 6 0 peak 626 volume 43311360 hpm1 51.952 ppm1 2.540 ppm2 6.090
!# peak 627-----------------------------------------------
assi (attr store1 < 5.837 and attr store1 > 5.717)
    ((attr store1 < 2.571 and attr store1 > 2.511)
     and bondedto (attr store1 < 52.570 and attr store1 > 51.370))
6 6 0 peak 627 volume 32386712 hpm1 51.970 ppm1 2.541 ppm2 5.777
!# peak 628-----------------------------------------------
assi (attr store1 < 5.074 and attr store1 > 4.954)
    ((attr store1 < 3.875 and attr store1 > 3.815)
     and bondedto (attr store1 < 52.536 and attr store1 > 51.336))
6 6 0 peak 628 volume 825003328 hpm1 51.936 ppm1 3.845 ppm2 5.014
!# peak 629-----------------------------------------------
assi (attr store1 < 5.074 and attr store1 > 4.954)
    ((attr store1 < 3.761 and attr store1 > 3.701)
     and bondedto (attr store1 < 52.535 and attr store1 > 51.335))
6 6 0 peak 629 volume 713020992 hpm1 51.935 ppm1 3.731 ppm2 5.014
!# peak 631-----------------------------------------------
assi (attr store1 < 4.331 and attr store1 > 4.211)
    ((attr store1 < 3.371 and attr store1 > 3.311)
     and bondedto (attr store1 < 52.544 and attr store1 > 51.344))
6 6 0 peak 631 volume 87941112 hpm1 51.944 ppm1 3.341 ppm2 4.271
!# peak 632-----------------------------------------------
assi (attr store1 < 4.330 and attr store1 > 4.210)
    ((attr store1 < 2.557 and attr store1 > 2.497)
     and bondedto (attr store1 < 52.551 and attr store1 > 51.351))
6 6 0 peak 632 volume 193546592 hpm1 51.951 ppm1 2.527 ppm2 4.270
!# peak 633-----------------------------------------------
assi (attr store1 < 4.289 and attr store1 > 4.169)
    ((attr store1 < 3.872 and attr store1 > 3.812)
     and bondedto (attr store1 < 52.539 and attr store1 > 51.339))
6 6 0 peak 633 volume 361144992 hpm1 51.939 ppm1 3.842 ppm2 4.229
!# peak 636-----------------------------------------------
assi (attr store1 < 3.928 and attr store1 > 3.808)
    ((attr store1 < 3.441 and attr store1 > 3.381)
     and bondedto (attr store1 < 52.552 and attr store1 > 51.352))
6 6 0 peak 636 volume 103806400 hpm1 51.952 ppm1 3.411 ppm2 3.868
!# peak 637-----------------------------------------------
assi (attr store1 < 3.886 and attr store1 > 3.766)
    ((attr store1 < 2.557 and attr store1 > 2.497)
     and bondedto (attr store1 < 52.548 and attr store1 > 51.348))
6 6 0 peak 637 volume 86335832 hpm1 51.948 ppm1 2.527 ppm2 3.826
!# peak 640-----------------------------------------------
assi (attr store1 < 3.515 and attr store1 > 3.395)
    ((attr store1 < 2.689 and attr store1 > 2.629)
     and bondedto (attr store1 < 52.563 and attr store1 > 51.363))
6 6 0 peak 640 volume 111836504 hpm1 51.963 ppm1 2.659 ppm2 3.455
!# peak 642-----------------------------------------------
assi (attr store1 < 3.422 and attr store1 > 3.302)
    ((attr store1 < 2.556 and attr store1 > 2.496)
     and bondedto (attr store1 < 52.551 and attr store1 > 51.351))
6 6 0 peak 642 volume 989606976 hpm1 51.951 ppm1 2.526 ppm2 3.362
!# peak 644-----------------------------------------------
assi (attr store1 < 2.783 and attr store1 > 2.663)
    ((attr store1 < 3.759 and attr store1 > 3.699)
     and bondedto (attr store1 < 52.550 and attr store1 > 51.350))
6 6 0 peak 644 volume 0.3235126e+07 hpm1 51.950 ppm1 3.729 ppm2 2.723
!# peak 646-----------------------------------------------
assi (attr store1 < 2.612 and attr store1 > 2.492)
    ((attr store1 < 3.372 and attr store1 > 3.312)
     and bondedto (attr store1 < 52.551 and attr store1 > 51.351))
6 6 0 peak 646 volume 915374784 hpm1 51.951 ppm1 3.342 ppm2 2.552
!# peak 648-----------------------------------------------
assi (attr store1 < 2.434 and attr store1 > 2.314)
    ((attr store1 < 3.759 and attr store1 > 3.699)
     and bondedto (attr store1 < 52.543 and attr store1 > 51.343))
6 6 0 peak 648 volume 67947416 hpm1 51.943 ppm1 3.729 ppm2 2.374
!# peak 649-----------------------------------------------
assi (attr store1 < 2.099 and attr store1 > 1.979)
    ((attr store1 < 3.873 and attr store1 > 3.813)
     and bondedto (attr store1 < 52.545 and attr store1 > 51.345))
6 6 0 peak 649 volume 416472992 hpm1 51.945 ppm1 3.843 ppm2 2.039
!# peak 650-----------------------------------------------
assi (attr store1 < 2.102 and attr store1 > 1.982)
    ((attr store1 < 3.758 and attr store1 > 3.698)
     and bondedto (attr store1 < 52.545 and attr store1 > 51.345))
6 6 0 peak 650 volume 380562112 hpm1 51.945 ppm1 3.728 ppm2 2.042
!# peak 651-----------------------------------------------
assi (attr store1 < 1.845 and attr store1 > 1.725)
    ((attr store1 < 2.558 and attr store1 > 2.498)
     and bondedto (attr store1 < 52.539 and attr store1 > 51.339))
6 6 0 peak 651 volume 51060332 hpm1 51.939 ppm1 2.528 ppm2 1.785
!# peak 653-----------------------------------------------
assi (attr store1 < 1.641 and attr store1 > 1.521)
    ((attr store1 < 3.873 and attr store1 > 3.813)
     and bondedto (attr store1 < 52.548 and attr store1 > 51.348))
6 6 0 peak 653 volume 98813096 hpm1 51.948 ppm1 3.843 ppm2 1.581
!# peak 654-----------------------------------------------
assi (attr store1 < 1.642 and attr store1 > 1.522)
    ((attr store1 < 3.758 and attr store1 > 3.698)
     and bondedto (attr store1 < 52.548 and attr store1 > 51.348))
6 6 0 peak 654 volume 102972600 hpm1 51.948 ppm1 3.728 ppm2 1.582
!# peak 655-----------------------------------------------
assi (attr store1 < 1.339 and attr store1 > 1.219)
    ((attr store1 < 3.874 and attr store1 > 3.814)
     and bondedto (attr store1 < 52.547 and attr store1 > 51.347))
6 6 0 peak 655 volume 69414256 hpm1 51.947 ppm1 3.844 ppm2 1.279
!# peak 656-----------------------------------------------
assi (attr store1 < 1.338 and attr store1 > 1.218)
    ((attr store1 < 3.759 and attr store1 > 3.699)
     and bondedto (attr store1 < 52.544 and attr store1 > 51.344))
6 6 0 peak 656 volume 52962460 hpm1 51.944 ppm1 3.729 ppm2 1.278
!# peak 657-----------------------------------------------
assi (attr store1 < 0.648 and attr store1 > 0.528)
    ((attr store1 < 3.372 and attr store1 > 3.312)
     and bondedto (attr store1 < 52.562 and attr store1 > 51.362))
6 6 0 peak 657 volume 58661848 hpm1 51.962 ppm1 3.342 ppm2 0.588
!# peak 658-----------------------------------------------
assi (attr store1 < 0.608 and attr store1 > 0.488)
    ((attr store1 < 2.556 and attr store1 > 2.496)
     and bondedto (attr store1 < 52.553 and attr store1 > 51.353))
6 6 0 peak 658 volume 109570800 hpm1 51.953 ppm1 2.526 ppm2 0.548
!# peak 661-----------------------------------------------
assi (attr store1 < 9.077 and attr store1 > 8.957)
    ((attr store1 < 1.012 and attr store1 > 0.952)
     and bondedto (attr store1 < 52.397 and attr store1 > 51.197))
6 6 0 peak 661 volume 19078930 hpm1 51.797 ppm1 0.982 ppm2 9.017
!# peak 662-----------------------------------------------
assi (attr store1 < 8.248 and attr store1 > 8.128)
    ((attr store1 < 3.874 and attr store1 > 3.814)
     and bondedto (attr store1 < 52.389 and attr store1 > 51.189))
6 6 0 peak 662 volume 234993104 hpm1 51.789 ppm1 3.844 ppm2 8.188
!# peak 663-----------------------------------------------
assi (attr store1 < 8.248 and attr store1 > 8.128)
    ((attr store1 < 3.759 and attr store1 > 3.699)
     and bondedto (attr store1 < 52.379 and attr store1 > 51.179))
6 6 0 peak 663 volume 133449104 hpm1 51.779 ppm1 3.729 ppm2 8.188
!# peak 666-----------------------------------------------
assi (attr store1 < 7.423 and attr store1 > 7.303)
    ((attr store1 < 1.025 and attr store1 > 0.965)
     and bondedto (attr store1 < 52.382 and attr store1 > 51.182))
6 6 0 peak 666 volume 34831920 hpm1 51.782 ppm1 0.995 ppm2 7.363
!# peak 667-----------------------------------------------
assi (attr store1 < 7.208 and attr store1 > 7.088)
    ((attr store1 < 1.024 and attr store1 > 0.964)
     and bondedto (attr store1 < 52.377 and attr store1 > 51.177))
6 6 0 peak 667 volume 276585984 hpm1 51.777 ppm1 0.994 ppm2 7.148
!# peak 668-----------------------------------------------
assi (attr store1 < 7.059 and attr store1 > 6.939)
    ((attr store1 < 1.012 and attr store1 > 0.952)
     and bondedto (attr store1 < 52.359 and attr store1 > 51.159))
6 6 0 peak 668 volume 172574592 hpm1 51.759 ppm1 0.982 ppm2 6.999
!# peak 669-----------------------------------------------
assi (attr store1 < 6.148 and attr store1 > 6.028)
    ((attr store1 < 1.023 and attr store1 > 0.963)
     and bondedto (attr store1 < 52.387 and attr store1 > 51.187))
6 6 0 peak 669 volume 124615000 hpm1 51.787 ppm1 0.993 ppm2 6.088
!# peak 670-----------------------------------------------
assi (attr store1 < 4.795 and attr store1 > 4.675)
    ((attr store1 < 3.757 and attr store1 > 3.697)
     and bondedto (attr store1 < 52.406 and attr store1 > 51.206))
6 6 0 peak 670 volume 60872428 hpm1 51.806 ppm1 3.727 ppm2 4.735
!# peak 671-----------------------------------------------
assi (attr store1 < 4.286 and attr store1 > 4.166)
    ((attr store1 < 3.759 and attr store1 > 3.699)
     and bondedto (attr store1 < 52.390 and attr store1 > 51.190))
6 6 0 peak 671 volume 107224504 hpm1 51.790 ppm1 3.729 ppm2 4.226
!# peak 673-----------------------------------------------
assi (attr store1 < 2.437 and attr store1 > 2.317)
    ((attr store1 < 3.873 and attr store1 > 3.813)
     and bondedto (attr store1 < 52.407 and attr store1 > 51.207))
6 6 0 peak 673 volume 203203392 hpm1 51.807 ppm1 3.843 ppm2 2.377
!# peak 674-----------------------------------------------
assi (attr store1 < 2.068 and attr store1 > 1.948)
    ((attr store1 < 1.023 and attr store1 > 0.963)
     and bondedto (attr store1 < 52.395 and attr store1 > 51.195))
6 6 0 peak 674 volume 192637696 hpm1 51.795 ppm1 0.993 ppm2 2.008
!# peak 675-----------------------------------------------
assi (attr store1 < 1.825 and attr store1 > 1.705)
    ((attr store1 < 1.010 and attr store1 > 0.950)
     and bondedto (attr store1 < 52.362 and attr store1 > 51.162))
6 6 0 peak 675 volume 456560480 hpm1 51.762 ppm1 0.980 ppm2 1.765
!# peak 677-----------------------------------------------
assi (attr store1 < 0.872 and attr store1 > 0.752)
    ((attr store1 < 3.758 and attr store1 > 3.698)
     and bondedto (attr store1 < 52.377 and attr store1 > 51.177))
6 6 0 peak 677 volume 100930600 hpm1 51.777 ppm1 3.728 ppm2 0.812
!# peak 678-----------------------------------------------
assi (attr store1 < 0.602 and attr store1 > 0.482)
    ((attr store1 < 1.024 and attr store1 > 0.964)
     and bondedto (attr store1 < 52.367 and attr store1 > 51.167))
6 6 0 peak 678 volume 464098688 hpm1 51.767 ppm1 0.994 ppm2 0.542
!# peak 679-----------------------------------------------
assi (attr store1 < 0.430 and attr store1 > 0.310)
    ((attr store1 < 1.012 and attr store1 > 0.952)
     and bondedto (attr store1 < 52.369 and attr store1 > 51.169))
6 6 0 peak 679 volume 382214912 hpm1 51.769 ppm1 0.982 ppm2 0.370
!# peak 692-----------------------------------------------
assi (attr store1 < 7.879 and attr store1 > 7.759)
    ((attr store1 < 1.028 and attr store1 > 0.968)
     and bondedto (attr store1 < 52.180 and attr store1 > 50.980))
6 6 0 peak 692 volume 161943600 hpm1 51.580 ppm1 0.998 ppm2 7.819
!# peak 713-----------------------------------------------
assi (attr store1 < 1.619 and attr store1 > 1.499)
    ((attr store1 < 2.012 and attr store1 > 1.952)
     and bondedto (attr store1 < 52.188 and attr store1 > 50.988))
6 6 0 peak 713 volume 332270208 hpm1 51.588 ppm1 1.982 ppm2 1.559
!# peak 741-----------------------------------------------
assi (attr store1 < 7.875 and attr store1 > 7.755)
    ((attr store1 < 1.529 and attr store1 > 1.469)
     and bondedto (attr store1 < 52.012 and attr store1 > 50.812))
6 6 0 peak 741 volume 169905504 hpm1 51.412 ppm1 1.499 ppm2 7.815
!# peak 743-----------------------------------------------
assi (attr store1 < 7.795 and attr store1 > 7.675)
    ((attr store1 < 1.824 and attr store1 > 1.764)
     and bondedto (attr store1 < 51.981 and attr store1 > 50.781))
6 6 0 peak 743 volume 200608592 hpm1 51.381 ppm1 1.794 ppm2 7.735
!# peak 744-----------------------------------------------
assi (attr store1 < 7.795 and attr store1 > 7.675)
    ((attr store1 < 1.369 and attr store1 > 1.309)
     and bondedto (attr store1 < 51.982 and attr store1 > 50.782))
6 6 0 peak 744 volume 54922420 hpm1 51.382 ppm1 1.339 ppm2 7.735
!# peak 745-----------------------------------------------
assi (attr store1 < 7.693 and attr store1 > 7.573)
    ((attr store1 < 1.033 and attr store1 > 0.973)
     and bondedto (attr store1 < 52.013 and attr store1 > 50.813))
6 6 0 peak 745 volume 15589440 hpm1 51.413 ppm1 1.003 ppm2 7.633
!# peak 746-----------------------------------------------
assi (attr store1 < 6.428 and attr store1 > 6.308)
    ((attr store1 < 1.965 and attr store1 > 1.905)
     and bondedto (attr store1 < 52.023 and attr store1 > 50.823))
6 6 0 peak 746 volume 83673352 hpm1 51.423 ppm1 1.935 ppm2 6.368
!# peak 747-----------------------------------------------
assi (attr store1 < 6.426 and attr store1 > 6.306)
    ((attr store1 < 1.827 and attr store1 > 1.767)
     and bondedto (attr store1 < 52.005 and attr store1 > 50.805))
6 6 0 peak 747 volume 86150936 hpm1 51.405 ppm1 1.797 ppm2 6.366
!# peak 748-----------------------------------------------
assi (attr store1 < 5.645 and attr store1 > 5.525)
    ((attr store1 < 1.828 and attr store1 > 1.768)
     and bondedto (attr store1 < 52.005 and attr store1 > 50.805))
6 6 0 peak 748 volume 44377712 hpm1 51.405 ppm1 1.798 ppm2 5.585
!# peak 777-----------------------------------------------
assi (attr store1 < 4.786 and attr store1 > 4.666)
    ((attr store1 < 1.824 and attr store1 > 1.764)
     and bondedto (attr store1 < 51.994 and attr store1 > 50.794))
6 6 0 peak 777 volume 48903408 hpm1 51.394 ppm1 1.794 ppm2 4.726
!# peak 791-----------------------------------------------
assi (attr store1 < 4.555 and attr store1 > 4.435)
    ((attr store1 < 1.530 and attr store1 > 1.470)
     and bondedto (attr store1 < 52.000 and attr store1 > 50.800))
6 6 0 peak 791 volume 194953200 hpm1 51.400 ppm1 1.500 ppm2 4.495
!# peak 792-----------------------------------------------
assi (attr store1 < 4.557 and attr store1 > 4.437)
    ((attr store1 < 1.030 and attr store1 > 0.970)
     and bondedto (attr store1 < 52.012 and attr store1 > 50.812))
6 6 0 peak 792 volume 103180696 hpm1 51.412 ppm1 1.000 ppm2 4.497
!# peak 793-----------------------------------------------
assi (attr store1 < 4.521 and attr store1 > 4.401)
    ((attr store1 < 2.010 and attr store1 > 1.950)
     and bondedto (attr store1 < 52.005 and attr store1 > 50.805))
6 6 0 peak 793 volume 622197184 hpm1 51.405 ppm1 1.980 ppm2 4.461
!# peak 794-----------------------------------------------
assi (attr store1 < 4.099 and attr store1 > 3.979)
    ((attr store1 < 1.529 and attr store1 > 1.469)
     and bondedto (attr store1 < 52.005 and attr store1 > 50.805))
6 6 0 peak 794 volume 325888992 hpm1 51.405 ppm1 1.499 ppm2 4.039
!# peak 795-----------------------------------------------
assi (attr store1 < 4.100 and attr store1 > 3.980)
    ((attr store1 < 1.031 and attr store1 > 0.971)
     and bondedto (attr store1 < 52.005 and attr store1 > 50.805))
6 6 0 peak 795 volume 316490784 hpm1 51.405 ppm1 1.001 ppm2 4.040
!# peak 796-----------------------------------------------
assi (attr store1 < 4.023 and attr store1 > 3.903)
    ((attr store1 < 1.824 and attr store1 > 1.764)
     and bondedto (attr store1 < 51.985 and attr store1 > 50.785))
6 6 0 peak 796 volume 171285904 hpm1 51.385 ppm1 1.794 ppm2 3.963
!# peak 804-----------------------------------------------
assi (attr store1 < 3.508 and attr store1 > 3.388)
    ((attr store1 < 1.372 and attr store1 > 1.312)
     and bondedto (attr store1 < 51.981 and attr store1 > 50.781))
6 6 0 peak 804 volume 82669952 hpm1 51.381 ppm1 1.342 ppm2 3.448
!# peak 808-----------------------------------------------
assi (attr store1 < 3.478 and attr store1 > 3.358)
    ((attr store1 < 1.827 and attr store1 > 1.767)
     and bondedto (attr store1 < 51.978 and attr store1 > 50.778))
6 6 0 peak 808 volume 57891792 hpm1 51.378 ppm1 1.797 ppm2 3.418
!# peak 810-----------------------------------------------
assi (attr store1 < 2.952 and attr store1 > 2.832)
    ((attr store1 < 1.821 and attr store1 > 1.761)
     and bondedto (attr store1 < 51.985 and attr store1 > 50.785))
6 6 0 peak 810 volume 534228192 hpm1 51.385 ppm1 1.791 ppm2 2.892
!# peak 811-----------------------------------------------
assi (attr store1 < 2.934 and attr store1 > 2.814)
    ((attr store1 < 1.964 and attr store1 > 1.904)
     and bondedto (attr store1 < 52.015 and attr store1 > 50.815))
6 6 0 peak 811 volume 138921504 hpm1 51.415 ppm1 1.934 ppm2 2.874
!# peak 815-----------------------------------------------
assi (attr store1 < 2.783 and attr store1 > 2.663)
    ((attr store1 < 1.983 and attr store1 > 1.923)
     and bondedto (attr store1 < 52.036 and attr store1 > 50.836))
6 6 0 peak 815 volume 197221504 hpm1 51.436 ppm1 1.953 ppm2 2.723
!# peak 816-----------------------------------------------
assi (attr store1 < 2.783 and attr store1 > 2.663)
    ((attr store1 < 1.828 and attr store1 > 1.768)
     and bondedto (attr store1 < 52.004 and attr store1 > 50.804))
6 6 0 peak 816 volume 226808000 hpm1 51.404 ppm1 1.798 ppm2 2.723
!# peak 817-----------------------------------------------
assi (attr store1 < 2.527 and attr store1 > 2.407)
    ((attr store1 < 1.827 and attr store1 > 1.767)
     and bondedto (attr store1 < 52.004 and attr store1 > 50.804))
6 6 0 peak 817 volume 226864096 hpm1 51.404 ppm1 1.797 ppm2 2.467
!# peak 818-----------------------------------------------
assi (attr store1 < 2.288 and attr store1 > 2.168)
    ((attr store1 < 1.530 and attr store1 > 1.470)
     and bondedto (attr store1 < 52.003 and attr store1 > 50.803))
6 6 0 peak 818 volume 349556704 hpm1 51.403 ppm1 1.500 ppm2 2.228
!# peak 819-----------------------------------------------
assi (attr store1 < 2.293 and attr store1 > 2.173)
    ((attr store1 < 1.031 and attr store1 > 0.971)
     and bondedto (attr store1 < 52.013 and attr store1 > 50.813))
6 6 0 peak 819 volume 203931712 hpm1 51.413 ppm1 1.001 ppm2 2.233
!# peak 822-----------------------------------------------
assi (attr store1 < 1.882 and attr store1 > 1.762)
    ((attr store1 < 2.714 and attr store1 > 2.654)
     and bondedto (attr store1 < 51.987 and attr store1 > 50.787))
6 6 0 peak 822 volume 55685288 hpm1 51.387 ppm1 2.684 ppm2 1.822
!# peak 824-----------------------------------------------
assi (attr store1 < 1.561 and attr store1 > 1.441)
    ((attr store1 < 2.241 and attr store1 > 2.181)
     and bondedto (attr store1 < 52.018 and attr store1 > 50.818))
6 6 0 peak 824 volume 50785692 hpm1 51.418 ppm1 2.211 ppm2 1.501
!# peak 825-----------------------------------------------
assi (attr store1 < 1.567 and attr store1 > 1.447)
    ((attr store1 < 1.029 and attr store1 > 0.969)
     and bondedto (attr store1 < 52.019 and attr store1 > 50.819))
6 6 0 peak 825 volume 1378509952 hpm1 51.419 ppm1 0.999 ppm2 1.507
!# peak 829-----------------------------------------------
assi (attr store1 < 1.432 and attr store1 > 1.312)
    ((attr store1 < 1.937 and attr store1 > 1.877)
     and bondedto (attr store1 < 51.987 and attr store1 > 50.787))
6 6 0 peak 829 volume 135695696 hpm1 51.387 ppm1 1.907 ppm2 1.372
!# peak 830-----------------------------------------------
assi (attr store1 < 1.428 and attr store1 > 1.308)
    ((attr store1 < 1.826 and attr store1 > 1.766)
     and bondedto (attr store1 < 51.983 and attr store1 > 50.783))
6 6 0 peak 830 volume 1200999040 hpm1 51.383 ppm1 1.796 ppm2 1.368
!# peak 833-----------------------------------------------
assi (attr store1 < 1.101 and attr store1 > 0.981)
    ((attr store1 < 2.243 and attr store1 > 2.183)
     and bondedto (attr store1 < 52.009 and attr store1 > 50.809))
6 6 0 peak 833 volume 24526210 hpm1 51.409 ppm1 2.213 ppm2 1.041
!# peak 835-----------------------------------------------
assi (attr store1 < 1.073 and attr store1 > 0.953)
    ((attr store1 < 1.531 and attr store1 > 1.471)
     and bondedto (attr store1 < 52.006 and attr store1 > 50.806))
6 6 0 peak 835 volume 1995806976 hpm1 51.406 ppm1 1.501 ppm2 1.013
!# peak 836-----------------------------------------------
assi (attr store1 < 1.014 and attr store1 > 0.894)
    ((attr store1 < 1.985 and attr store1 > 1.925)
     and bondedto (attr store1 < 51.992 and attr store1 > 50.792))
6 6 0 peak 836 volume 147979312 hpm1 51.392 ppm1 1.955 ppm2 0.954
!# peak 838-----------------------------------------------
assi (attr store1 < 0.784 and attr store1 > 0.664)
    ((attr store1 < 1.529 and attr store1 > 1.469)
     and bondedto (attr store1 < 52.002 and attr store1 > 50.802))
6 6 0 peak 838 volume 1396034944 hpm1 51.402 ppm1 1.499 ppm2 0.724
!# peak 842-----------------------------------------------
assi (attr store1 < 0.607 and attr store1 > 0.487)
    ((attr store1 < 1.826 and attr store1 > 1.766)
     and bondedto (attr store1 < 51.998 and attr store1 > 50.798))
6 6 0 peak 842 volume 46324980 hpm1 51.398 ppm1 1.796 ppm2 0.547
!# peak 852-----------------------------------------------
assi (attr store1 < 8.053 and attr store1 > 7.933)
    ((attr store1 < 2.828 and attr store1 > 2.768)
     and bondedto (attr store1 < 51.829 and attr store1 > 50.629))
6 6 0 peak 852 volume 198233200 hpm1 51.229 ppm1 2.798 ppm2 7.993
!# peak 853-----------------------------------------------
assi (attr store1 < 8.053 and attr store1 > 7.933)
    ((attr store1 < 2.708 and attr store1 > 2.648)
     and bondedto (attr store1 < 51.830 and attr store1 > 50.630))
6 6 0 peak 853 volume 131966696 hpm1 51.230 ppm1 2.678 ppm2 7.993
!# peak 854-----------------------------------------------
assi (attr store1 < 8.021 and attr store1 > 7.901)
    ((attr store1 < 1.762 and attr store1 > 1.702)
     and bondedto (attr store1 < 51.820 and attr store1 > 50.620))
6 6 0 peak 854 volume 232382800 hpm1 51.220 ppm1 1.732 ppm2 7.961
!# peak 855-----------------------------------------------
assi (attr store1 < 7.466 and attr store1 > 7.346)
    ((attr store1 < 2.710 and attr store1 > 2.650)
     and bondedto (attr store1 < 51.828 and attr store1 > 50.628))
6 6 0 peak 855 volume 39622368 hpm1 51.228 ppm1 2.680 ppm2 7.406
!# peak 856-----------------------------------------------
assi (attr store1 < 7.438 and attr store1 > 7.318)
    ((attr store1 < 2.830 and attr store1 > 2.770)
     and bondedto (attr store1 < 51.833 and attr store1 > 50.633))
6 6 0 peak 856 volume 51245840 hpm1 51.233 ppm1 2.800 ppm2 7.378
!# peak 862-----------------------------------------------
assi (attr store1 < 4.828 and attr store1 > 4.708)
    ((attr store1 < 1.235 and attr store1 > 1.175)
     and bondedto (attr store1 < 51.824 and attr store1 > 50.624))
6 6 0 peak 862 volume 27319088 hpm1 51.224 ppm1 1.205 ppm2 4.768
!# peak 863-----------------------------------------------
assi (attr store1 < 4.827 and attr store1 > 4.707)
    ((attr store1 < 1.006 and attr store1 > 0.946)
     and bondedto (attr store1 < 51.812 and attr store1 > 50.612))
6 6 0 peak 863 volume 24724850 hpm1 51.212 ppm1 0.976 ppm2 4.767
!# peak 864-----------------------------------------------
assi (attr store1 < 4.786 and attr store1 > 4.666)
    ((attr store1 < 2.829 and attr store1 > 2.769)
     and bondedto (attr store1 < 51.830 and attr store1 > 50.630))
6 6 0 peak 864 volume 358625280 hpm1 51.230 ppm1 2.799 ppm2 4.726
!# peak 865-----------------------------------------------
assi (attr store1 < 4.786 and attr store1 > 4.666)
    ((attr store1 < 2.694 and attr store1 > 2.634)
     and bondedto (attr store1 < 51.828 and attr store1 > 50.628))
6 6 0 peak 865 volume 422978208 hpm1 51.228 ppm1 2.664 ppm2 4.726
!# peak 866-----------------------------------------------
assi (attr store1 < 4.790 and attr store1 > 4.670)
    ((attr store1 < 1.369 and attr store1 > 1.309)
     and bondedto (attr store1 < 51.838 and attr store1 > 50.638))
6 6 0 peak 866 volume 81399432 hpm1 51.238 ppm1 1.339 ppm2 4.730
!# peak 874-----------------------------------------------
assi (attr store1 < 4.293 and attr store1 > 4.173)
    ((attr store1 < 1.980 and attr store1 > 1.920)
     and bondedto (attr store1 < 51.847 and attr store1 > 50.647))
6 6 0 peak 874 volume 117114904 hpm1 51.247 ppm1 1.950 ppm2 4.233
!# peak 875-----------------------------------------------
assi (attr store1 < 4.200 and attr store1 > 4.080)
    ((attr store1 < 1.763 and attr store1 > 1.703)
     and bondedto (attr store1 < 51.651 and attr store1 > 50.451))
6 6 0 peak 875 volume 123632104 hpm1 51.051 ppm1 1.733 ppm2 4.140
!# peak 876-----------------------------------------------
assi (attr store1 < 4.104 and attr store1 > 3.984)
    ((attr store1 < 2.829 and attr store1 > 2.769)
     and bondedto (attr store1 < 51.827 and attr store1 > 50.627))
6 6 0 peak 876 volume 208701408 hpm1 51.227 ppm1 2.799 ppm2 4.044
!# peak 877-----------------------------------------------
assi (attr store1 < 4.104 and attr store1 > 3.984)
    ((attr store1 < 2.694 and attr store1 > 2.634)
     and bondedto (attr store1 < 51.830 and attr store1 > 50.630))
6 6 0 peak 877 volume 167574400 hpm1 51.230 ppm1 2.664 ppm2 4.044
!# peak 878-----------------------------------------------
assi (attr store1 < 3.914 and attr store1 > 3.794)
    ((attr store1 < 2.829 and attr store1 > 2.769)
     and bondedto (attr store1 < 51.822 and attr store1 > 50.622))
6 6 0 peak 878 volume 79336432 hpm1 51.222 ppm1 2.799 ppm2 3.854
!# peak 879-----------------------------------------------
assi (attr store1 < 3.892 and attr store1 > 3.772)
    ((attr store1 < 2.709 and attr store1 > 2.649)
     and bondedto (attr store1 < 51.821 and attr store1 > 50.621))
6 6 0 peak 879 volume 75332848 hpm1 51.221 ppm1 2.679 ppm2 3.832
!# peak 880-----------------------------------------------
assi (attr store1 < 3.832 and attr store1 > 3.712)
    ((attr store1 < 1.991 and attr store1 > 1.931)
     and bondedto (attr store1 < 51.832 and attr store1 > 50.632))
6 6 0 peak 880 volume 1625474944 hpm1 51.232 ppm1 1.961 ppm2 3.772
!# peak 881-----------------------------------------------
assi (attr store1 < 3.841 and attr store1 > 3.721)
    ((attr store1 < 1.234 and attr store1 > 1.174)
     and bondedto (attr store1 < 51.824 and attr store1 > 50.624))
6 6 0 peak 881 volume 218088304 hpm1 51.224 ppm1 1.204 ppm2 3.781
!# peak 882-----------------------------------------------
assi (attr store1 < 3.842 and attr store1 > 3.722)
    ((attr store1 < 1.007 and attr store1 > 0.947)
     and bondedto (attr store1 < 51.830 and attr store1 > 50.630))
6 6 0 peak 882 volume 230039408 hpm1 51.230 ppm1 0.977 ppm2 3.782
!# peak 883-----------------------------------------------
assi (attr store1 < 3.605 and attr store1 > 3.485)
    ((attr store1 < 2.845 and attr store1 > 2.785)
     and bondedto (attr store1 < 51.819 and attr store1 > 50.619))
6 6 0 peak 883 volume 17980870 hpm1 51.219 ppm1 2.815 ppm2 3.545
!# peak 884-----------------------------------------------
assi (attr store1 < 3.508 and attr store1 > 3.388)
    ((attr store1 < 1.234 and attr store1 > 1.174)
     and bondedto (attr store1 < 51.829 and attr store1 > 50.629))
6 6 0 peak 884 volume 219725200 hpm1 51.229 ppm1 1.204 ppm2 3.448
!# peak 885-----------------------------------------------
assi (attr store1 < 3.508 and attr store1 > 3.388)
    ((attr store1 < 1.008 and attr store1 > 0.948)
     and bondedto (attr store1 < 51.831 and attr store1 > 50.631))
6 6 0 peak 885 volume 152688000 hpm1 51.231 ppm1 0.978 ppm2 3.448
!# peak 888-----------------------------------------------
assi (attr store1 < 3.103 and attr store1 > 2.983)
    ((attr store1 < 1.371 and attr store1 > 1.311)
     and bondedto (attr store1 < 51.837 and attr store1 > 50.637))
6 6 0 peak 888 volume 373943104 hpm1 51.237 ppm1 1.341 ppm2 3.043
!# peak 889-----------------------------------------------
assi (attr store1 < 3.103 and attr store1 > 2.983)
    ((attr store1 < 1.235 and attr store1 > 1.175)
     and bondedto (attr store1 < 51.834 and attr store1 > 50.634))
6 6 0 peak 889 volume 37646480 hpm1 51.234 ppm1 1.205 ppm2 3.043
!# peak 896-----------------------------------------------
assi (attr store1 < 2.757 and attr store1 > 2.637)
    ((attr store1 < 2.831 and attr store1 > 2.771)
     and bondedto (attr store1 < 51.828 and attr store1 > 50.628))
6 6 0 peak 896 volume 1074334976 hpm1 51.228 ppm1 2.801 ppm2 2.697
!# peak 899-----------------------------------------------
assi (attr store1 < 2.281 and attr store1 > 2.161)
    ((attr store1 < 1.986 and attr store1 > 1.926)
     and bondedto (attr store1 < 51.808 and attr store1 > 50.608))
6 6 0 peak 899 volume 0.8530615e+10 hpm1 51.208 ppm1 1.956 ppm2 2.221
!# peak 901-----------------------------------------------
assi (attr store1 < 2.065 and attr store1 > 1.945)
    ((attr store1 < 2.853 and attr store1 > 2.793)
     and bondedto (attr store1 < 51.825 and attr store1 > 50.625))
6 6 0 peak 901 volume 385125696 hpm1 51.225 ppm1 2.823 ppm2 2.005
!# peak 902-----------------------------------------------
assi (attr store1 < 2.056 and attr store1 > 1.936)
    ((attr store1 < 2.713 and attr store1 > 2.653)
     and bondedto (attr store1 < 51.836 and attr store1 > 50.636))
6 6 0 peak 902 volume 276818528 hpm1 51.236 ppm1 2.683 ppm2 1.996
!# peak 911-----------------------------------------------
assi (attr store1 < 1.878 and attr store1 > 1.758)
    ((attr store1 < 1.372 and attr store1 > 1.312)
     and bondedto (attr store1 < 51.829 and attr store1 > 50.629))
6 6 0 peak 911 volume 1638205056 hpm1 51.229 ppm1 1.342 ppm2 1.818
!# peak 918-----------------------------------------------
assi (attr store1 < 1.292 and attr store1 > 1.172)
    ((attr store1 < 1.010 and attr store1 > 0.950)
     and bondedto (attr store1 < 51.840 and attr store1 > 50.640))
6 6 0 peak 918 volume 0.3870793e+10 hpm1 51.240 ppm1 0.980 ppm2 1.232
!# peak 921-----------------------------------------------
assi (attr store1 < 1.232 and attr store1 > 1.112)
    ((attr store1 < 2.828 and attr store1 > 2.768)
     and bondedto (attr store1 < 51.831 and attr store1 > 50.631))
6 6 0 peak 921 volume 101431104 hpm1 51.231 ppm1 2.798 ppm2 1.172
!# peak 922-----------------------------------------------
assi (attr store1 < 1.231 and attr store1 > 1.111)
    ((attr store1 < 2.695 and attr store1 > 2.635)
     and bondedto (attr store1 < 51.829 and attr store1 > 50.629))
6 6 0 peak 922 volume 91839056 hpm1 51.229 ppm1 2.665 ppm2 1.171
!# peak 923-----------------------------------------------
assi (attr store1 < 1.061 and attr store1 > 0.941)
    ((attr store1 < 1.234 and attr store1 > 1.174)
     and bondedto (attr store1 < 51.829 and attr store1 > 50.629))
6 6 0 peak 923 volume 0.5191948e+10 hpm1 51.229 ppm1 1.204 ppm2 1.001
!# peak 925-----------------------------------------------
assi (attr store1 < 0.842 and attr store1 > 0.722)
    ((attr store1 < 1.144 and attr store1 > 1.084)
     and bondedto (attr store1 < 51.820 and attr store1 > 50.620))
6 6 0 peak 925 volume 896665664 hpm1 51.220 ppm1 1.114 ppm2 0.782
!# peak 926-----------------------------------------------
assi (attr store1 < 0.516 and attr store1 > 0.396)
    ((attr store1 < 1.234 and attr store1 > 1.174)
     and bondedto (attr store1 < 51.825 and attr store1 > 50.625))
6 6 0 peak 926 volume 294513280 hpm1 51.225 ppm1 1.204 ppm2 0.456
!# peak 927-----------------------------------------------
assi (attr store1 < 0.160 and attr store1 > 0.040)
    ((attr store1 < 1.441 and attr store1 > 1.381)
     and bondedto (attr store1 < 51.800 and attr store1 > 50.600))
6 6 0 peak 927 volume 122289296 hpm1 51.200 ppm1 1.411 ppm2 0.100
!# peak 928-----------------------------------------------
assi (attr store1 < -0.080 and attr store1 > -0.200)
    ((attr store1 < 1.234 and attr store1 > 1.174)
     and bondedto (attr store1 < 51.822 and attr store1 > 50.622))
6 6 0 peak 928 volume 109427896 hpm1 51.222 ppm1 1.204 ppm2 -0.140
!# peak 929-----------------------------------------------
assi (attr store1 < -0.080 and attr store1 > -0.200)
    ((attr store1 < 1.007 and attr store1 > 0.947)
     and bondedto (attr store1 < 51.835 and attr store1 > 50.635))
6 6 0 peak 929 volume 146654800 hpm1 51.235 ppm1 0.977 ppm2 -0.140
!# peak 938-----------------------------------------------
assi (attr store1 < 8.291 and attr store1 > 8.171)
    ((attr store1 < 1.144 and attr store1 > 1.084)
     and bondedto (attr store1 < 51.650 and attr store1 > 50.450))
6 6 0 peak 938 volume 99776504 hpm1 51.050 ppm1 1.114 ppm2 8.231
!# peak 944-----------------------------------------------
assi (attr store1 < 4.785 and attr store1 > 4.665)
    ((attr store1 < 1.554 and attr store1 > 1.494)
     and bondedto (attr store1 < 51.645 and attr store1 > 50.445))
6 6 0 peak 944 volume 219563200 hpm1 51.045 ppm1 1.524 ppm2 4.725
!# peak 945-----------------------------------------------
assi (attr store1 < 4.511 and attr store1 > 4.391)
    ((attr store1 < 3.780 and attr store1 > 3.720)
     and bondedto (attr store1 < 51.610 and attr store1 > 50.410))
6 6 0 peak 945 volume 285316576 hpm1 51.010 ppm1 3.750 ppm2 4.451
!# peak 946-----------------------------------------------
assi (attr store1 < 4.511 and attr store1 > 4.391)
    ((attr store1 < 3.647 and attr store1 > 3.587)
     and bondedto (attr store1 < 51.611 and attr store1 > 50.411))
6 6 0 peak 946 volume 262481984 hpm1 51.011 ppm1 3.617 ppm2 4.451
!# peak 947-----------------------------------------------
assi (attr store1 < 4.348 and attr store1 > 4.228)
    ((attr store1 < 1.558 and attr store1 > 1.498)
     and bondedto (attr store1 < 51.646 and attr store1 > 50.446))
6 6 0 peak 947 volume 124839704 hpm1 51.046 ppm1 1.528 ppm2 4.288
!# peak 948-----------------------------------------------
assi (attr store1 < 3.961 and attr store1 > 3.841)
    ((attr store1 < 1.668 and attr store1 > 1.608)
     and bondedto (attr store1 < 51.641 and attr store1 > 50.441))
6 6 0 peak 948 volume 241622496 hpm1 51.041 ppm1 1.638 ppm2 3.901
!# peak 952-----------------------------------------------
assi (attr store1 < 3.284 and attr store1 > 3.164)
    ((attr store1 < 1.667 and attr store1 > 1.607)
     and bondedto (attr store1 < 51.647 and attr store1 > 50.447))
6 6 0 peak 952 volume 710086528 hpm1 51.047 ppm1 1.637 ppm2 3.224
!# peak 954-----------------------------------------------
assi (attr store1 < 3.238 and attr store1 > 3.118)
    ((attr store1 < 1.556 and attr store1 > 1.496)
     and bondedto (attr store1 < 51.643 and attr store1 > 50.443))
6 6 0 peak 954 volume 724288256 hpm1 51.043 ppm1 1.526 ppm2 3.178
!# peak 955-----------------------------------------------
assi (attr store1 < 2.648 and attr store1 > 2.528)
    ((attr store1 < 1.669 and attr store1 > 1.609)
     and bondedto (attr store1 < 51.650 and attr store1 > 50.450))
6 6 0 peak 955 volume 44583460 hpm1 51.050 ppm1 1.639 ppm2 2.588
!# peak 956-----------------------------------------------
assi (attr store1 < 2.651 and attr store1 > 2.531)
    ((attr store1 < 1.550 and attr store1 > 1.490)
     and bondedto (attr store1 < 51.649 and attr store1 > 50.449))
6 6 0 peak 956 volume 69047080 hpm1 51.049 ppm1 1.520 ppm2 2.591
!# peak 958-----------------------------------------------
assi (attr store1 < 2.206 and attr store1 > 2.086)
    ((attr store1 < 1.667 and attr store1 > 1.607)
     and bondedto (attr store1 < 51.632 and attr store1 > 50.432))
6 6 0 peak 958 volume 78382152 hpm1 51.032 ppm1 1.637 ppm2 2.146
!# peak 965-----------------------------------------------
assi (attr store1 < 1.204 and attr store1 > 1.084)
    ((attr store1 < 3.646 and attr store1 > 3.586)
     and bondedto (attr store1 < 51.612 and attr store1 > 50.412))
6 6 0 peak 965 volume 115186200 hpm1 51.012 ppm1 3.616 ppm2 1.144
!# peak 972-----------------------------------------------
assi (attr store1 < 8.569 and attr store1 > 8.449)
    ((attr store1 < 1.419 and attr store1 > 1.359)
     and bondedto (attr store1 < 51.428 and attr store1 > 50.228))
6 6 0 peak 972 volume 39159400 hpm1 50.828 ppm1 1.389 ppm2 8.509
!# peak 973-----------------------------------------------
assi (attr store1 < 8.379 and attr store1 > 8.259)
    ((attr store1 < 1.375 and attr store1 > 1.315)
     and bondedto (attr store1 < 51.443 and attr store1 > 50.243))
6 6 0 peak 973 volume 64831060 hpm1 50.843 ppm1 1.345 ppm2 8.319
!# peak 975-----------------------------------------------
assi (attr store1 < 7.735 and attr store1 > 7.615)
    ((attr store1 < 1.709 and attr store1 > 1.649)
     and bondedto (attr store1 < 51.445 and attr store1 > 50.245))
6 6 0 peak 975 volume 304685216 hpm1 50.845 ppm1 1.679 ppm2 7.675
!# peak 989-----------------------------------------------
assi (attr store1 < 2.920 and attr store1 > 2.800)
    ((attr store1 < 1.709 and attr store1 > 1.649)
     and bondedto (attr store1 < 51.447 and attr store1 > 50.247))
6 6 0 peak 989 volume 29158240 hpm1 50.847 ppm1 1.679 ppm2 2.860
!# peak 990-----------------------------------------------
assi (attr store1 < 2.290 and attr store1 > 2.170)
    ((attr store1 < 3.785 and attr store1 > 3.725)
     and bondedto (attr store1 < 51.443 and attr store1 > 50.243))
6 6 0 peak 990 volume 251290000 hpm1 50.843 ppm1 3.755 ppm2 2.230
!# peak 993-----------------------------------------------
assi (attr store1 < 1.878 and attr store1 > 1.758)
    ((attr store1 < 1.074 and attr store1 > 1.014)
     and bondedto (attr store1 < 51.448 and attr store1 > 50.248))
6 6 0 peak 993 volume 52193648 hpm1 50.848 ppm1 1.044 ppm2 1.818
!# peak 999-----------------------------------------------
assi (attr store1 < 1.431 and attr store1 > 1.311)
    ((attr store1 < 1.074 and attr store1 > 1.014)
     and bondedto (attr store1 < 51.448 and attr store1 > 50.248))
6 6 0 peak 999 volume 2031202048 hpm1 50.848 ppm1 1.044 ppm2 1.371
!# peak 1002-----------------------------------------------
assi (attr store1 < 1.119 and attr store1 > 0.999)
    ((attr store1 < 1.375 and attr store1 > 1.315)
     and bondedto (attr store1 < 51.445 and attr store1 > 50.245))
6 6 0 peak 1002 volume 1452475008 hpm1 50.845 ppm1 1.345 ppm2 1.059
!# peak 1005-----------------------------------------------
assi (attr store1 < 0.825 and attr store1 > 0.705)
    ((attr store1 < 1.374 and attr store1 > 1.314)
     and bondedto (attr store1 < 51.446 and attr store1 > 50.246))
6 6 0 peak 1005 volume 524793216 hpm1 50.846 ppm1 1.344 ppm2 0.765
!# peak 1006-----------------------------------------------
assi (attr store1 < 0.824 and attr store1 > 0.704)
    ((attr store1 < 1.073 and attr store1 > 1.013)
     and bondedto (attr store1 < 51.448 and attr store1 > 50.248))
6 6 0 peak 1006 volume 855318144 hpm1 50.848 ppm1 1.043 ppm2 0.764
!# peak 1016-----------------------------------------------
assi (attr store1 < 8.739 and attr store1 > 8.619)
    ((attr store1 < 0.283 and attr store1 > 0.223)
     and bondedto (attr store1 < 51.232 and attr store1 > 50.032))
6 6 0 peak 1016 volume 80999840 hpm1 50.632 ppm1 0.253 ppm2 8.679
!# peak 1017-----------------------------------------------
assi (attr store1 < 8.387 and attr store1 > 8.267)
    ((attr store1 < 2.031 and attr store1 > 1.971)
     and bondedto (attr store1 < 51.259 and attr store1 > 50.059))
6 6 0 peak 1017 volume 50666440 hpm1 50.659 ppm1 2.001 ppm2 8.327
!# peak 1018-----------------------------------------------
assi (attr store1 < 8.108 and attr store1 > 7.988)
    ((attr store1 < 1.687 and attr store1 > 1.627)
     and bondedto (attr store1 < 51.243 and attr store1 > 50.043))
6 6 0 peak 1018 volume 609389184 hpm1 50.643 ppm1 1.657 ppm2 8.048
!# peak 1023-----------------------------------------------
assi (attr store1 < 7.234 and attr store1 > 7.114)
    ((attr store1 < 0.282 and attr store1 > 0.222)
     and bondedto (attr store1 < 51.257 and attr store1 > 50.057))
6 6 0 peak 1023 volume 77261296 hpm1 50.657 ppm1 0.252 ppm2 7.174
!# peak 1024-----------------------------------------------
assi (attr store1 < 7.050 and attr store1 > 6.930)
    ((attr store1 < 0.280 and attr store1 > 0.220)
     and bondedto (attr store1 < 51.250 and attr store1 > 50.050))
6 6 0 peak 1024 volume 46495752 hpm1 50.650 ppm1 0.250 ppm2 6.990
!# peak 1025-----------------------------------------------
assi (attr store1 < 6.896 and attr store1 > 6.776)
    ((attr store1 < 2.031 and attr store1 > 1.971)
     and bondedto (attr store1 < 51.236 and attr store1 > 50.036))
6 6 0 peak 1025 volume 19716940 hpm1 50.636 ppm1 2.001 ppm2 6.836
!# peak 1028-----------------------------------------------
assi (attr store1 < 4.569 and attr store1 > 4.449)
    ((attr store1 < 2.031 and attr store1 > 1.971)
     and bondedto (attr store1 < 51.270 and attr store1 > 50.070))
6 6 0 peak 1028 volume 220312512 hpm1 50.670 ppm1 2.001 ppm2 4.509
!# peak 1029-----------------------------------------------
assi (attr store1 < 4.507 and attr store1 > 4.387)
    ((attr store1 < 1.485 and attr store1 > 1.425)
     and bondedto (attr store1 < 51.259 and attr store1 > 50.059))
6 6 0 peak 1029 volume 261654496 hpm1 50.659 ppm1 1.455 ppm2 4.447
!# peak 1030-----------------------------------------------
assi (attr store1 < 4.342 and attr store1 > 4.222)
    ((attr store1 < 1.439 and attr store1 > 1.379)
     and bondedto (attr store1 < 51.278 and attr store1 > 50.078))
6 6 0 peak 1030 volume 232811600 hpm1 50.678 ppm1 1.409 ppm2 4.282
!# peak 1031-----------------------------------------------
assi (attr store1 < 4.109 and attr store1 > 3.989)
    ((attr store1 < 1.687 and attr store1 > 1.627)
     and bondedto (attr store1 < 51.249 and attr store1 > 50.049))
6 6 0 peak 1031 volume 297090784 hpm1 50.649 ppm1 1.657 ppm2 4.049
!# peak 1032-----------------------------------------------
assi (attr store1 < 3.982 and attr store1 > 3.862)
    ((attr store1 < 2.031 and attr store1 > 1.971)
     and bondedto (attr store1 < 51.276 and attr store1 > 50.076))
6 6 0 peak 1032 volume 565892224 hpm1 50.676 ppm1 2.001 ppm2 3.922
!# peak 1033-----------------------------------------------
assi (attr store1 < 3.933 and attr store1 > 3.813)
    ((attr store1 < 0.281 and attr store1 > 0.221)
     and bondedto (attr store1 < 51.257 and attr store1 > 50.057))
6 6 0 peak 1033 volume 107012800 hpm1 50.657 ppm1 0.251 ppm2 3.873
!# peak 1034-----------------------------------------------
assi (attr store1 < 3.789 and attr store1 > 3.669)
    ((attr store1 < 0.281 and attr store1 > 0.221)
     and bondedto (attr store1 < 51.258 and attr store1 > 50.058))
6 6 0 peak 1034 volume 59279872 hpm1 50.658 ppm1 0.251 ppm2 3.729
!# peak 1037-----------------------------------------------
assi (attr store1 < 3.423 and attr store1 > 3.303)
    ((attr store1 < 0.282 and attr store1 > 0.222)
     and bondedto (attr store1 < 51.260 and attr store1 > 50.060))
6 6 0 peak 1037 volume 131445304 hpm1 50.660 ppm1 0.252 ppm2 3.363
!# peak 1039-----------------------------------------------
assi (attr store1 < 2.983 and attr store1 > 2.863)
    ((attr store1 < 0.282 and attr store1 > 0.222)
     and bondedto (attr store1 < 51.261 and attr store1 > 50.061))
6 6 0 peak 1039 volume 86910960 hpm1 50.661 ppm1 0.252 ppm2 2.923
!# peak 1040-----------------------------------------------
assi (attr store1 < 2.883 and attr store1 > 2.763)
    ((attr store1 < 1.484 and attr store1 > 1.424)
     and bondedto (attr store1 < 51.252 and attr store1 > 50.052))
6 6 0 peak 1040 volume 89760912 hpm1 50.652 ppm1 1.454 ppm2 2.823
!# peak 1041-----------------------------------------------
assi (attr store1 < 2.786 and attr store1 > 2.666)
    ((attr store1 < 2.031 and attr store1 > 1.971)
     and bondedto (attr store1 < 51.260 and attr store1 > 50.060))
6 6 0 peak 1041 volume 31301900 hpm1 50.660 ppm1 2.001 ppm2 2.726
!# peak 1042-----------------------------------------------
assi (attr store1 < 2.480 and attr store1 > 2.360)
    ((attr store1 < 1.485 and attr store1 > 1.425)
     and bondedto (attr store1 < 51.250 and attr store1 > 50.050))
6 6 0 peak 1042 volume 26415012 hpm1 50.650 ppm1 1.455 ppm2 2.420
!# peak 1045-----------------------------------------------
assi (attr store1 < 2.111 and attr store1 > 1.991)
    ((attr store1 < 2.208 and attr store1 > 2.148)
     and bondedto (attr store1 < 51.270 and attr store1 > 50.070))
6 6 0 peak 1045 volume 1897269888 hpm1 50.670 ppm1 2.178 ppm2 2.051
!# peak 1047-----------------------------------------------
assi (attr store1 < 2.059 and attr store1 > 1.939)
    ((attr store1 < 3.645 and attr store1 > 3.585)
     and bondedto (attr store1 < 51.238 and attr store1 > 50.038))
6 6 0 peak 1047 volume 753646592 hpm1 50.638 ppm1 3.615 ppm2 1.999
!# peak 1054-----------------------------------------------
assi (attr store1 < 1.365 and attr store1 > 1.245)
    ((attr store1 < 0.282 and attr store1 > 0.222)
     and bondedto (attr store1 < 51.257 and attr store1 > 50.057))
6 6 0 peak 1054 volume 197889808 hpm1 50.657 ppm1 0.252 ppm2 1.305
!# peak 1056-----------------------------------------------
assi (attr store1 < 1.060 and attr store1 > 0.940)
    ((attr store1 < 0.282 and attr store1 > 0.222)
     and bondedto (attr store1 < 51.258 and attr store1 > 50.058))
6 6 0 peak 1056 volume 345806976 hpm1 50.658 ppm1 0.252 ppm2 1.000
!# peak 1058-----------------------------------------------
assi (attr store1 < 0.878 and attr store1 > 0.758)
    ((attr store1 < 0.282 and attr store1 > 0.222)
     and bondedto (attr store1 < 51.261 and attr store1 > 50.061))
6 6 0 peak 1058 volume 86950272 hpm1 50.661 ppm1 0.252 ppm2 0.818
!# peak 1059-----------------------------------------------
assi (attr store1 < 0.845 and attr store1 > 0.725)
    ((attr store1 < 1.487 and attr store1 > 1.427)
     and bondedto (attr store1 < 51.258 and attr store1 > 50.058))
6 6 0 peak 1059 volume 950162112 hpm1 50.658 ppm1 1.457 ppm2 0.785
!# peak 1060-----------------------------------------------
assi (attr store1 < 0.709 and attr store1 > 0.589)
    ((attr store1 < 0.281 and attr store1 > 0.221)
     and bondedto (attr store1 < 51.260 and attr store1 > 50.060))
6 6 0 peak 1060 volume 102077096 hpm1 50.660 ppm1 0.251 ppm2 0.649
!# peak 1062-----------------------------------------------
assi (attr store1 < 0.510 and attr store1 > 0.390)
    ((attr store1 < 1.439 and attr store1 > 1.379)
     and bondedto (attr store1 < 51.272 and attr store1 > 50.072))
6 6 0 peak 1062 volume 684796928 hpm1 50.672 ppm1 1.409 ppm2 0.450
!# peak 1063-----------------------------------------------
assi (attr store1 < 0.478 and attr store1 > 0.358)
    ((attr store1 < 1.690 and attr store1 > 1.630)
     and bondedto (attr store1 < 51.247 and attr store1 > 50.047))
6 6 0 peak 1063 volume 595694720 hpm1 50.647 ppm1 1.660 ppm2 0.418
!# peak 1072-----------------------------------------------
assi (attr store1 < 7.885 and attr store1 > 7.765)
    ((attr store1 < 0.282 and attr store1 > 0.222)
     and bondedto (attr store1 < 51.101 and attr store1 > 49.901))
6 6 0 peak 1072 volume 57273412 hpm1 50.501 ppm1 0.252 ppm2 7.825
!# peak 1073-----------------------------------------------
assi (attr store1 < 7.739 and attr store1 > 7.619)
    ((attr store1 < 1.188 and attr store1 > 1.128)
     and bondedto (attr store1 < 51.047 and attr store1 > 49.847))
6 6 0 peak 1073 volume 111927200 hpm1 50.447 ppm1 1.158 ppm2 7.679
!# peak 1077-----------------------------------------------
assi (attr store1 < 4.796 and attr store1 > 4.676)
    ((attr store1 < 4.035 and attr store1 > 3.975)
     and bondedto (attr store1 < 51.091 and attr store1 > 49.891))
6 6 0 peak 1077 volume 470011072 hpm1 50.491 ppm1 4.005 ppm2 4.736
!# peak 1078-----------------------------------------------
assi (attr store1 < 4.789 and attr store1 > 4.669)
    ((attr store1 < 3.919 and attr store1 > 3.859)
     and bondedto (attr store1 < 51.088 and attr store1 > 49.888))
6 6 0 peak 1078 volume 611014336 hpm1 50.488 ppm1 3.889 ppm2 4.729
!# peak 1079-----------------------------------------------
assi (attr store1 < 4.749 and attr store1 > 4.629)
    ((attr store1 < 3.646 and attr store1 > 3.586)
     and bondedto (attr store1 < 51.059 and attr store1 > 49.859))
6 6 0 peak 1079 volume 520335904 hpm1 50.459 ppm1 3.616 ppm2 4.689
!# peak 1104-----------------------------------------------
assi (attr store1 < 3.697 and attr store1 > 3.577)
    ((attr store1 < 1.689 and attr store1 > 1.629)
     and bondedto (attr store1 < 51.080 and attr store1 > 49.880))
6 6 0 peak 1104 volume 237292096 hpm1 50.480 ppm1 1.659 ppm2 3.637
!# peak 1107-----------------------------------------------
assi (attr store1 < 2.382 and attr store1 > 2.262)
    ((attr store1 < 3.645 and attr store1 > 3.585)
     and bondedto (attr store1 < 51.063 and attr store1 > 49.863))
6 6 0 peak 1107 volume 192790704 hpm1 50.463 ppm1 3.615 ppm2 2.322
!# peak 1111-----------------------------------------------
assi (attr store1 < 2.073 and attr store1 > 1.953)
    ((attr store1 < 4.036 and attr store1 > 3.976)
     and bondedto (attr store1 < 51.091 and attr store1 > 49.891))
6 6 0 peak 1111 volume 446978592 hpm1 50.491 ppm1 4.006 ppm2 2.013
!# peak 1112-----------------------------------------------
assi (attr store1 < 2.069 and attr store1 > 1.949)
    ((attr store1 < 3.919 and attr store1 > 3.859)
     and bondedto (attr store1 < 51.087 and attr store1 > 49.887))
6 6 0 peak 1112 volume 573407488 hpm1 50.487 ppm1 3.889 ppm2 2.009
!# peak 1113-----------------------------------------------
assi (attr store1 < 1.833 and attr store1 > 1.713)
    ((attr store1 < 4.034 and attr store1 > 3.974)
     and bondedto (attr store1 < 51.094 and attr store1 > 49.894))
6 6 0 peak 1113 volume 82566216 hpm1 50.494 ppm1 4.004 ppm2 1.773
!# peak 1114-----------------------------------------------
assi (attr store1 < 1.831 and attr store1 > 1.711)
    ((attr store1 < 3.916 and attr store1 > 3.856)
     and bondedto (attr store1 < 51.094 and attr store1 > 49.894))
6 6 0 peak 1114 volume 82144616 hpm1 50.494 ppm1 3.886 ppm2 1.771
!# peak 1115-----------------------------------------------
assi (attr store1 < 1.838 and attr store1 > 1.718)
    ((attr store1 < 0.282 and attr store1 > 0.222)
     and bondedto (attr store1 < 51.098 and attr store1 > 49.898))
6 6 0 peak 1115 volume 742562304 hpm1 50.498 ppm1 0.252 ppm2 1.778
!# peak 1116-----------------------------------------------
assi (attr store1 < 1.748 and attr store1 > 1.628)
    ((attr store1 < 1.187 and attr store1 > 1.127)
     and bondedto (attr store1 < 51.052 and attr store1 > 49.852))
6 6 0 peak 1116 volume 555170624 hpm1 50.452 ppm1 1.157 ppm2 1.688
!# peak 1117-----------------------------------------------
assi (attr store1 < 1.413 and attr store1 > 1.293)
    ((attr store1 < 3.920 and attr store1 > 3.860)
     and bondedto (attr store1 < 51.092 and attr store1 > 49.892))
6 6 0 peak 1117 volume 84391880 hpm1 50.492 ppm1 3.890 ppm2 1.353
!# peak 1118-----------------------------------------------
assi (attr store1 < 1.389 and attr store1 > 1.269)
    ((attr store1 < 4.032 and attr store1 > 3.972)
     and bondedto (attr store1 < 51.091 and attr store1 > 49.891))
6 6 0 peak 1118 volume 97867696 hpm1 50.491 ppm1 4.002 ppm2 1.329
!# peak 1119-----------------------------------------------
assi (attr store1 < 1.243 and attr store1 > 1.123)
    ((attr store1 < 1.711 and attr store1 > 1.651)
     and bondedto (attr store1 < 51.090 and attr store1 > 49.890))
6 6 0 peak 1119 volume 1041761984 hpm1 50.490 ppm1 1.681 ppm2 1.183
!# peak 1121-----------------------------------------------
assi (attr store1 < 0.915 and attr store1 > 0.795)
    ((attr store1 < 4.034 and attr store1 > 3.974)
     and bondedto (attr store1 < 51.091 and attr store1 > 49.891))
6 6 0 peak 1121 volume 178540704 hpm1 50.491 ppm1 4.004 ppm2 0.855
!# peak 1122-----------------------------------------------
assi (attr store1 < 0.915 and attr store1 > 0.795)
    ((attr store1 < 3.920 and attr store1 > 3.860)
     and bondedto (attr store1 < 51.086 and attr store1 > 49.886))
6 6 0 peak 1122 volume 119476400 hpm1 50.486 ppm1 3.890 ppm2 0.855
!# peak 1123-----------------------------------------------
assi (attr store1 < 0.746 and attr store1 > 0.626)
    ((attr store1 < 1.690 and attr store1 > 1.630)
     and bondedto (attr store1 < 51.068 and attr store1 > 49.868))
6 6 0 peak 1123 volume 718397312 hpm1 50.468 ppm1 1.660 ppm2 0.686
!# peak 1125-----------------------------------------------
assi (attr store1 < 0.332 and attr store1 > 0.212)
    ((attr store1 < 1.784 and attr store1 > 1.724)
     and bondedto (attr store1 < 51.074 and attr store1 > 49.874))
6 6 0 peak 1125 volume 1097896064 hpm1 50.474 ppm1 1.754 ppm2 0.272
!# peak 1129-----------------------------------------------
assi (attr store1 < 9.075 and attr store1 > 8.955)
    ((attr store1 < 1.760 and attr store1 > 1.700)
     and bondedto (attr store1 < 50.891 and attr store1 > 49.691))
6 6 0 peak 1129 volume 60330320 hpm1 50.291 ppm1 1.730 ppm2 9.015
!# peak 1130-----------------------------------------------
assi (attr store1 < 8.741 and attr store1 > 8.621)
    ((attr store1 < 1.783 and attr store1 > 1.723)
     and bondedto (attr store1 < 50.888 and attr store1 > 49.688))
6 6 0 peak 1130 volume 217080992 hpm1 50.288 ppm1 1.753 ppm2 8.681
!# peak 1133-----------------------------------------------
assi (attr store1 < 7.923 and attr store1 > 7.803)
    ((attr store1 < 3.785 and attr store1 > 3.725)
     and bondedto (attr store1 < 50.869 and attr store1 > 49.669))
6 6 0 peak 1133 volume 3487897 hpm1 50.269 ppm1 3.755 ppm2 7.863
!# peak 1134-----------------------------------------------
assi (attr store1 < 7.922 and attr store1 > 7.802)
    ((attr store1 < 3.443 and attr store1 > 3.383)
     and bondedto (attr store1 < 50.874 and attr store1 > 49.674))
6 6 0 peak 1134 volume 36563392 hpm1 50.274 ppm1 3.413 ppm2 7.862
!# peak 1135-----------------------------------------------
assi (attr store1 < 7.936 and attr store1 > 7.816)
    ((attr store1 < 1.581 and attr store1 > 1.521)
     and bondedto (attr store1 < 50.887 and attr store1 > 49.687))
6 6 0 peak 1135 volume 153994208 hpm1 50.287 ppm1 1.551 ppm2 7.876
!# peak 1136-----------------------------------------------
assi (attr store1 < 7.881 and attr store1 > 7.761)
    ((attr store1 < 1.781 and attr store1 > 1.721)
     and bondedto (attr store1 < 50.886 and attr store1 > 49.686))
6 6 0 peak 1136 volume 233880400 hpm1 50.286 ppm1 1.751 ppm2 7.821
!# peak 1139-----------------------------------------------
assi (attr store1 < 7.021 and attr store1 > 6.901)
    ((attr store1 < 1.188 and attr store1 > 1.128)
     and bondedto (attr store1 < 50.899 and attr store1 > 49.699))
6 6 0 peak 1139 volume 34278720 hpm1 50.299 ppm1 1.158 ppm2 6.961
!# peak 1144-----------------------------------------------
assi (attr store1 < 4.838 and attr store1 > 4.718)
    ((attr store1 < 3.786 and attr store1 > 3.726)
     and bondedto (attr store1 < 50.900 and attr store1 > 49.700))
6 6 0 peak 1144 volume 1284450048 hpm1 50.300 ppm1 3.756 ppm2 4.778
!# peak 1145-----------------------------------------------
assi (attr store1 < 4.846 and attr store1 > 4.726)
    ((attr store1 < 3.447 and attr store1 > 3.387)
     and bondedto (attr store1 < 50.882 and attr store1 > 49.682))
6 6 0 peak 1145 volume 556176000 hpm1 50.282 ppm1 3.417 ppm2 4.786
!# peak 1146-----------------------------------------------
assi (attr store1 < 4.785 and attr store1 > 4.665)
    ((attr store1 < 1.594 and attr store1 > 1.534)
     and bondedto (attr store1 < 50.895 and attr store1 > 49.695))
6 6 0 peak 1146 volume 48630448 hpm1 50.295 ppm1 1.564 ppm2 4.725
!# peak 1147-----------------------------------------------
assi (attr store1 < 4.255 and attr store1 > 4.135)
    ((attr store1 < 1.189 and attr store1 > 1.129)
     and bondedto (attr store1 < 50.888 and attr store1 > 49.688))
6 6 0 peak 1147 volume 115511496 hpm1 50.288 ppm1 1.159 ppm2 4.195
!# peak 1148-----------------------------------------------
assi (attr store1 < 4.233 and attr store1 > 4.113)
    ((attr store1 < 1.759 and attr store1 > 1.699)
     and bondedto (attr store1 < 50.902 and attr store1 > 49.702))
6 6 0 peak 1148 volume 272232704 hpm1 50.302 ppm1 1.729 ppm2 4.173
!# peak 1150-----------------------------------------------
assi (attr store1 < 3.840 and attr store1 > 3.720)
    ((attr store1 < 3.446 and attr store1 > 3.386)
     and bondedto (attr store1 < 50.876 and attr store1 > 49.676))
6 6 0 peak 1150 volume 709182784 hpm1 50.276 ppm1 3.416 ppm2 3.780
!# peak 1154-----------------------------------------------
assi (attr store1 < 3.695 and attr store1 > 3.575)
    ((attr store1 < 1.761 and attr store1 > 1.701)
     and bondedto (attr store1 < 50.898 and attr store1 > 49.698))
6 6 0 peak 1154 volume 181090592 hpm1 50.298 ppm1 1.731 ppm2 3.635
!# peak 1157-----------------------------------------------
assi (attr store1 < 3.460 and attr store1 > 3.340)
    ((attr store1 < 1.594 and attr store1 > 1.534)
     and bondedto (attr store1 < 50.887 and attr store1 > 49.687))
6 6 0 peak 1157 volume 124010304 hpm1 50.287 ppm1 1.564 ppm2 3.400
!# peak 1158-----------------------------------------------
assi (attr store1 < 3.342 and attr store1 > 3.222)
    ((attr store1 < 1.782 and attr store1 > 1.722)
     and bondedto (attr store1 < 50.888 and attr store1 > 49.688))
6 6 0 peak 1158 volume 138000592 hpm1 50.288 ppm1 1.752 ppm2 3.282
!# peak 1159-----------------------------------------------
assi (attr store1 < 3.295 and attr store1 > 3.175)
    ((attr store1 < 1.187 and attr store1 > 1.127)
     and bondedto (attr store1 < 50.894 and attr store1 > 49.694))
6 6 0 peak 1159 volume 146192000 hpm1 50.294 ppm1 1.157 ppm2 3.235
!# peak 1160-----------------------------------------------
assi (attr store1 < 2.914 and attr store1 > 2.794)
    ((attr store1 < 1.188 and attr store1 > 1.128)
     and bondedto (attr store1 < 50.898 and attr store1 > 49.698))
6 6 0 peak 1160 volume 75133744 hpm1 50.298 ppm1 1.158 ppm2 2.854
!# peak 1162-----------------------------------------------
assi (attr store1 < 2.511 and attr store1 > 2.391)
    ((attr store1 < 1.580 and attr store1 > 1.520)
     and bondedto (attr store1 < 50.891 and attr store1 > 49.691))
6 6 0 peak 1162 volume 133470800 hpm1 50.291 ppm1 1.550 ppm2 2.451
!# peak 1163-----------------------------------------------
assi (attr store1 < 2.481 and attr store1 > 2.361)
    ((attr store1 < 3.446 and attr store1 > 3.386)
     and bondedto (attr store1 < 50.883 and attr store1 > 49.683))
6 6 0 peak 1163 volume 83741336 hpm1 50.283 ppm1 3.416 ppm2 2.421
!# peak 1164-----------------------------------------------
assi (attr store1 < 2.429 and attr store1 > 2.309)
    ((attr store1 < 3.807 and attr store1 > 3.747)
     and bondedto (attr store1 < 50.910 and attr store1 > 49.710))
6 6 0 peak 1164 volume 248137904 hpm1 50.310 ppm1 3.777 ppm2 2.369
!# peak 1165-----------------------------------------------
assi (attr store1 < 2.066 and attr store1 > 1.946)
    ((attr store1 < 1.762 and attr store1 > 1.702)
     and bondedto (attr store1 < 50.892 and attr store1 > 49.692))
6 6 0 peak 1165 volume 0.252003e+10 hpm1 50.292 ppm1 1.732 ppm2 2.006
!# peak 1166-----------------------------------------------
assi (attr store1 < 2.024 and attr store1 > 1.904)
    ((attr store1 < 3.763 and attr store1 > 3.703)
     and bondedto (attr store1 < 50.895 and attr store1 > 49.695))
6 6 0 peak 1166 volume 940408896 hpm1 50.295 ppm1 3.733 ppm2 1.964
!# peak 1167-----------------------------------------------
assi (attr store1 < 1.924 and attr store1 > 1.804)
    ((attr store1 < 1.187 and attr store1 > 1.127)
     and bondedto (attr store1 < 50.900 and attr store1 > 49.700))
6 6 0 peak 1167 volume 324557504 hpm1 50.300 ppm1 1.157 ppm2 1.864
!# peak 1168-----------------------------------------------
assi (attr store1 < 1.650 and attr store1 > 1.530)
    ((attr store1 < 3.612 and attr store1 > 3.552)
     and bondedto (attr store1 < 50.860 and attr store1 > 49.660))
6 6 0 peak 1168 volume 111457896 hpm1 50.260 ppm1 3.582 ppm2 1.590
!# peak 1170-----------------------------------------------
assi (attr store1 < 1.516 and attr store1 > 1.396)
    ((attr store1 < 1.187 and attr store1 > 1.127)
     and bondedto (attr store1 < 50.893 and attr store1 > 49.693))
6 6 0 peak 1170 volume 648324352 hpm1 50.293 ppm1 1.157 ppm2 1.456
!# peak 1171-----------------------------------------------
assi (attr store1 < 1.290 and attr store1 > 1.170)
    ((attr store1 < 3.801 and attr store1 > 3.741)
     and bondedto (attr store1 < 50.886 and attr store1 > 49.686))
6 6 0 peak 1171 volume 380385312 hpm1 50.286 ppm1 3.771 ppm2 1.230
!# peak 1172-----------------------------------------------
assi (attr store1 < 1.290 and attr store1 > 1.170)
    ((attr store1 < 3.446 and attr store1 > 3.386)
     and bondedto (attr store1 < 50.881 and attr store1 > 49.681))
6 6 0 peak 1172 volume 286366400 hpm1 50.281 ppm1 3.416 ppm2 1.230
!# peak 1174-----------------------------------------------
assi (attr store1 < 1.062 and attr store1 > 0.942)
    ((attr store1 < 3.788 and attr store1 > 3.728)
     and bondedto (attr store1 < 50.882 and attr store1 > 49.682))
6 6 0 peak 1174 volume 298706208 hpm1 50.282 ppm1 3.758 ppm2 1.002
!# peak 1175-----------------------------------------------
assi (attr store1 < 1.069 and attr store1 > 0.949)
    ((attr store1 < 3.449 and attr store1 > 3.389)
     and bondedto (attr store1 < 50.882 and attr store1 > 49.682))
6 6 0 peak 1175 volume 385219520 hpm1 50.282 ppm1 3.419 ppm2 1.009
!# peak 1176-----------------------------------------------
assi (attr store1 < 0.961 and attr store1 > 0.841)
    ((attr store1 < 3.608 and attr store1 > 3.548)
     and bondedto (attr store1 < 50.865 and attr store1 > 49.665))
6 6 0 peak 1176 volume 89365912 hpm1 50.265 ppm1 3.578 ppm2 0.901
!# peak 1177-----------------------------------------------
assi (attr store1 < 0.928 and attr store1 > 0.808)
    ((attr store1 < 1.598 and attr store1 > 1.538)
     and bondedto (attr store1 < 50.885 and attr store1 > 49.685))
6 6 0 peak 1177 volume 715853376 hpm1 50.285 ppm1 1.568 ppm2 0.868
!# peak 1178-----------------------------------------------
assi (attr store1 < 0.925 and attr store1 > 0.805)
    ((attr store1 < 1.188 and attr store1 > 1.128)
     and bondedto (attr store1 < 50.894 and attr store1 > 49.694))
6 6 0 peak 1178 volume 1410644096 hpm1 50.294 ppm1 1.158 ppm2 0.865
!# peak 1179-----------------------------------------------
assi (attr store1 < 0.519 and attr store1 > 0.399)
    ((attr store1 < 3.786 and attr store1 > 3.726)
     and bondedto (attr store1 < 50.881 and attr store1 > 49.681))
6 6 0 peak 1179 volume 242895392 hpm1 50.281 ppm1 3.756 ppm2 0.459
!# peak 1180-----------------------------------------------
assi (attr store1 < 0.524 and attr store1 > 0.404)
    ((attr store1 < 3.449 and attr store1 > 3.389)
     and bondedto (attr store1 < 50.884 and attr store1 > 49.684))
6 6 0 peak 1180 volume 181184688 hpm1 50.284 ppm1 3.419 ppm2 0.464
!# peak 1181-----------------------------------------------
assi (attr store1 < 0.520 and attr store1 > 0.400)
    ((attr store1 < 1.187 and attr store1 > 1.127)
     and bondedto (attr store1 < 50.893 and attr store1 > 49.693))
6 6 0 peak 1181 volume 137819792 hpm1 50.293 ppm1 1.157 ppm2 0.460
!# peak 1182-----------------------------------------------
assi (attr store1 < 0.161 and attr store1 > 0.041)
    ((attr store1 < 1.440 and attr store1 > 1.380)
     and bondedto (attr store1 < 50.893 and attr store1 > 49.693))
6 6 0 peak 1182 volume 93973928 hpm1 50.293 ppm1 1.410 ppm2 0.101
!# peak 1183-----------------------------------------------
assi (attr store1 < 0.160 and attr store1 > 0.040)
    ((attr store1 < 1.188 and attr store1 > 1.128)
     and bondedto (attr store1 < 50.882 and attr store1 > 49.682))
6 6 0 peak 1183 volume 30440242 hpm1 50.282 ppm1 1.158 ppm2 0.100
!# peak 1184-----------------------------------------------
assi (attr store1 < -0.074 and attr store1 > -0.194)
    ((attr store1 < 3.802 and attr store1 > 3.742)
     and bondedto (attr store1 < 50.885 and attr store1 > 49.685))
6 6 0 peak 1184 volume 19513260 hpm1 50.285 ppm1 3.772 ppm2 -0.134
!# peak 1185-----------------------------------------------
assi (attr store1 < -0.074 and attr store1 > -0.194)
    ((attr store1 < 3.449 and attr store1 > 3.389)
     and bondedto (attr store1 < 50.877 and attr store1 > 49.677))
6 6 0 peak 1185 volume 15068910 hpm1 50.277 ppm1 3.419 ppm2 -0.134
!# peak 1192-----------------------------------------------
assi (attr store1 < 8.100 and attr store1 > 7.980)
    ((attr store1 < 1.754 and attr store1 > 1.694)
     and bondedto (attr store1 < 50.709 and attr store1 > 49.509))
6 6 0 peak 1192 volume 522921984 hpm1 50.109 ppm1 1.724 ppm2 8.040
!# peak 1193-----------------------------------------------
assi (attr store1 < 8.103 and attr store1 > 7.983)
    ((attr store1 < 0.894 and attr store1 > 0.834)
     and bondedto (attr store1 < 50.697 and attr store1 > 49.497))
6 6 0 peak 1193 volume 96717616 hpm1 50.097 ppm1 0.864 ppm2 8.043
!# peak 1194-----------------------------------------------
assi (attr store1 < 7.828 and attr store1 > 7.708)
    ((attr store1 < 0.893 and attr store1 > 0.833)
     and bondedto (attr store1 < 50.692 and attr store1 > 49.492))
6 6 0 peak 1194 volume 105650496 hpm1 50.092 ppm1 0.863 ppm2 7.768
!# peak 1195-----------------------------------------------
assi (attr store1 < 7.195 and attr store1 > 7.075)
    ((attr store1 < 1.756 and attr store1 > 1.696)
     and bondedto (attr store1 < 50.715 and attr store1 > 49.515))
6 6 0 peak 1195 volume 105414600 hpm1 50.115 ppm1 1.726 ppm2 7.135
!# peak 1196-----------------------------------------------
assi (attr store1 < 7.114 and attr store1 > 6.994)
    ((attr store1 < 0.893 and attr store1 > 0.833)
     and bondedto (attr store1 < 50.696 and attr store1 > 49.496))
6 6 0 peak 1196 volume 215590800 hpm1 50.096 ppm1 0.863 ppm2 7.054
!# peak 1204-----------------------------------------------
assi (attr store1 < 5.839 and attr store1 > 5.719)
    ((attr store1 < 0.892 and attr store1 > 0.832)
     and bondedto (attr store1 < 50.689 and attr store1 > 49.489))
6 6 0 peak 1204 volume 120064896 hpm1 50.089 ppm1 0.862 ppm2 5.779
!# peak 1209-----------------------------------------------
assi (attr store1 < 4.786 and attr store1 > 4.666)
    ((attr store1 < 0.884 and attr store1 > 0.824)
     and bondedto (attr store1 < 50.693 and attr store1 > 49.493))
6 6 0 peak 1209 volume 13208450 hpm1 50.093 ppm1 0.854 ppm2 4.726
!# peak 1214-----------------------------------------------
assi (attr store1 < 4.615 and attr store1 > 4.495)
    ((attr store1 < 3.758 and attr store1 > 3.698)
     and bondedto (attr store1 < 50.728 and attr store1 > 49.528))
6 6 0 peak 1214 volume 420375488 hpm1 50.128 ppm1 3.728 ppm2 4.555
!# peak 1215-----------------------------------------------
assi (attr store1 < 4.619 and attr store1 > 4.499)
    ((attr store1 < 3.608 and attr store1 > 3.548)
     and bondedto (attr store1 < 50.730 and attr store1 > 49.530))
6 6 0 peak 1215 volume 307404704 hpm1 50.130 ppm1 3.578 ppm2 4.559
!# peak 1216-----------------------------------------------
assi (attr store1 < 4.602 and attr store1 > 4.482)
    ((attr store1 < 3.397 and attr store1 > 3.337)
     and bondedto (attr store1 < 50.680 and attr store1 > 49.480))
6 6 0 peak 1216 volume 0.6053541e+06 hpm1 50.080 ppm1 3.367 ppm2 4.542
!# peak 1218-----------------------------------------------
assi (attr store1 < 3.973 and attr store1 > 3.853)
    ((attr store1 < 1.756 and attr store1 > 1.696)
     and bondedto (attr store1 < 50.708 and attr store1 > 49.508))
6 6 0 peak 1218 volume 194903104 hpm1 50.108 ppm1 1.726 ppm2 3.913
!# peak 1219-----------------------------------------------
assi (attr store1 < 3.962 and attr store1 > 3.842)
    ((attr store1 < 0.893 and attr store1 > 0.833)
     and bondedto (attr store1 < 50.696 and attr store1 > 49.496))
6 6 0 peak 1219 volume 293177184 hpm1 50.096 ppm1 0.863 ppm2 3.902
!# peak 1223-----------------------------------------------
assi (attr store1 < 3.433 and attr store1 > 3.313)
    ((attr store1 < 0.893 and attr store1 > 0.833)
     and bondedto (attr store1 < 50.701 and attr store1 > 49.501))
6 6 0 peak 1223 volume 26258642 hpm1 50.101 ppm1 0.863 ppm2 3.373
!# peak 1232-----------------------------------------------
assi (attr store1 < 1.795 and attr store1 > 1.675)
    ((attr store1 < 0.894 and attr store1 > 0.834)
     and bondedto (attr store1 < 50.689 and attr store1 > 49.489))
6 6 0 peak 1232 volume 1381366016 hpm1 50.089 ppm1 0.864 ppm2 1.735
!# peak 1233-----------------------------------------------
assi (attr store1 < 1.639 and attr store1 > 1.519)
    ((attr store1 < 3.759 and attr store1 > 3.699)
     and bondedto (attr store1 < 50.720 and attr store1 > 49.520))
6 6 0 peak 1233 volume 64867164 hpm1 50.120 ppm1 3.729 ppm2 1.579
!# peak 1236-----------------------------------------------
assi (attr store1 < 1.381 and attr store1 > 1.261)
    ((attr store1 < 0.893 and attr store1 > 0.833)
     and bondedto (attr store1 < 50.694 and attr store1 > 49.494))
6 6 0 peak 1236 volume 306996288 hpm1 50.094 ppm1 0.863 ppm2 1.321
!# peak 1238-----------------------------------------------
assi (attr store1 < 0.974 and attr store1 > 0.854)
    ((attr store1 < 1.763 and attr store1 > 1.703)
     and bondedto (attr store1 < 50.693 and attr store1 > 49.493))
6 6 0 peak 1238 volume 1927005056 hpm1 50.093 ppm1 1.733 ppm2 0.914
!# peak 1240-----------------------------------------------
assi (attr store1 < 0.707 and attr store1 > 0.587)
    ((attr store1 < 1.582 and attr store1 > 1.522)
     and bondedto (attr store1 < 50.696 and attr store1 > 49.496))
6 6 0 peak 1240 volume 577592768 hpm1 50.096 ppm1 1.552 ppm2 0.647
!# peak 1241-----------------------------------------------
assi (attr store1 < 0.608 and attr store1 > 0.488)
    ((attr store1 < 0.892 and attr store1 > 0.832)
     and bondedto (attr store1 < 50.691 and attr store1 > 49.491))
6 6 0 peak 1241 volume 120474704 hpm1 50.091 ppm1 0.862 ppm2 0.548
!# peak 1242-----------------------------------------------
assi (attr store1 < 0.430 and attr store1 > 0.310)
    ((attr store1 < 0.892 and attr store1 > 0.832)
     and bondedto (attr store1 < 50.693 and attr store1 > 49.493))
6 6 0 peak 1242 volume 105659704 hpm1 50.093 ppm1 0.862 ppm2 0.370
!# peak 1244-----------------------------------------------
assi (attr store1 < -0.095 and attr store1 > -0.215)
    ((attr store1 < 0.896 and attr store1 > 0.836)
     and bondedto (attr store1 < 50.703 and attr store1 > 49.503))
6 6 0 peak 1244 volume 32492440 hpm1 50.103 ppm1 0.866 ppm2 -0.155
!# peak 1264-----------------------------------------------
assi (attr store1 < 3.432 and attr store1 > 3.312)
    ((attr store1 < 2.898 and attr store1 > 2.838)
     and bondedto (attr store1 < 50.530 and attr store1 > 49.330))
6 6 0 peak 1264 volume 102495096 hpm1 49.930 ppm1 2.868 ppm2 3.372
!# peak 1266-----------------------------------------------
assi (attr store1 < 2.965 and attr store1 > 2.845)
    ((attr store1 < 3.394 and attr store1 > 3.334)
     and bondedto (attr store1 < 50.541 and attr store1 > 49.341))
6 6 0 peak 1266 volume 51072596 hpm1 49.941 ppm1 3.364 ppm2 2.905
!# peak 1267-----------------------------------------------
assi (attr store1 < 1.927 and attr store1 > 1.807)
    ((attr store1 < 3.422 and attr store1 > 3.362)
     and bondedto (attr store1 < 50.538 and attr store1 > 49.338))
6 6 0 peak 1267 volume 11259730 hpm1 49.938 ppm1 3.392 ppm2 1.867
!# peak 1273-----------------------------------------------
assi (attr store1 < 7.928 and attr store1 > 7.808)
    ((attr store1 < 2.894 and attr store1 > 2.834)
     and bondedto (attr store1 < 50.312 and attr store1 > 49.112))
6 6 0 peak 1273 volume 38388048 hpm1 49.712 ppm1 2.864 ppm2 7.868
!# peak 1275-----------------------------------------------
assi (attr store1 < 7.784 and attr store1 > 7.664)
    ((attr store1 < 0.986 and attr store1 > 0.926)
     and bondedto (attr store1 < 50.331 and attr store1 > 49.131))
6 6 0 peak 1275 volume 27305860 hpm1 49.731 ppm1 0.956 ppm2 7.724
!# peak 1281-----------------------------------------------
assi (attr store1 < 4.510 and attr store1 > 4.390)
    ((attr store1 < 0.987 and attr store1 > 0.927)
     and bondedto (attr store1 < 50.310 and attr store1 > 49.110))
6 6 0 peak 1281 volume 33700732 hpm1 49.710 ppm1 0.957 ppm2 4.450
!# peak 1286-----------------------------------------------
assi (attr store1 < 1.523 and attr store1 > 1.403)
    ((attr store1 < 0.984 and attr store1 > 0.924)
     and bondedto (attr store1 < 50.334 and attr store1 > 49.134))
6 6 0 peak 1286 volume 226126896 hpm1 49.734 ppm1 0.954 ppm2 1.463
!# peak 1294-----------------------------------------------
assi (attr store1 < 10.300 and attr store1 > 10.180)
    ((attr store1 < 2.715 and attr store1 > 2.655)
     and bondedto (attr store1 < 50.149 and attr store1 > 48.949))
6 6 0 peak 1294 volume 76518760 hpm1 49.549 ppm1 2.685 ppm2 10.240
!# peak 1299-----------------------------------------------
assi (attr store1 < 7.319 and attr store1 > 7.199)
    ((attr store1 < 0.989 and attr store1 > 0.929)
     and bondedto (attr store1 < 50.162 and attr store1 > 48.962))
6 6 0 peak 1299 volume 15136720 hpm1 49.562 ppm1 0.959 ppm2 7.259
!# peak 1300-----------------------------------------------
assi (attr store1 < 6.426 and attr store1 > 6.306)
    ((attr store1 < 2.893 and attr store1 > 2.833)
     and bondedto (attr store1 < 50.158 and attr store1 > 48.958))
6 6 0 peak 1300 volume 12173640 hpm1 49.558 ppm1 2.863 ppm2 6.366
!# peak 1301-----------------------------------------------
assi (attr store1 < 6.426 and attr store1 > 6.306)
    ((attr store1 < 2.716 and attr store1 > 2.656)
     and bondedto (attr store1 < 50.145 and attr store1 > 48.945))
6 6 0 peak 1301 volume 22026540 hpm1 49.545 ppm1 2.686 ppm2 6.366
!# peak 1312-----------------------------------------------
assi (attr store1 < 4.838 and attr store1 > 4.718)
    ((attr store1 < 2.844 and attr store1 > 2.784)
     and bondedto (attr store1 < 50.135 and attr store1 > 48.935))
6 6 0 peak 1312 volume 78415528 hpm1 49.535 ppm1 2.814 ppm2 4.778
!# peak 1313-----------------------------------------------
assi (attr store1 < 4.799 and attr store1 > 4.679)
    ((attr store1 < 2.713 and attr store1 > 2.653)
     and bondedto (attr store1 < 50.144 and attr store1 > 48.944))
6 6 0 peak 1313 volume 44537700 hpm1 49.544 ppm1 2.683 ppm2 4.739
!# peak 1315-----------------------------------------------
assi (attr store1 < 4.285 and attr store1 > 4.165)
    ((attr store1 < 2.896 and attr store1 > 2.836)
     and bondedto (attr store1 < 50.152 and attr store1 > 48.952))
6 6 0 peak 1315 volume 483935200 hpm1 49.552 ppm1 2.866 ppm2 4.225
!# peak 1316-----------------------------------------------
assi (attr store1 < 4.285 and attr store1 > 4.165)
    ((attr store1 < 2.718 and attr store1 > 2.658)
     and bondedto (attr store1 < 50.147 and attr store1 > 48.947))
6 6 0 peak 1316 volume 325177984 hpm1 49.547 ppm1 2.688 ppm2 4.225
!# peak 1325-----------------------------------------------
assi (attr store1 < 2.937 and attr store1 > 2.817)
    ((attr store1 < 2.718 and attr store1 > 2.658)
     and bondedto (attr store1 < 50.148 and attr store1 > 48.948))
6 6 0 peak 1325 volume 1137085952 hpm1 49.548 ppm1 2.688 ppm2 2.877
!# peak 1326-----------------------------------------------
assi (attr store1 < 2.883 and attr store1 > 2.763)
    ((attr store1 < 0.987 and attr store1 > 0.927)
     and bondedto (attr store1 < 50.160 and attr store1 > 48.960))
6 6 0 peak 1326 volume 140967296 hpm1 49.560 ppm1 0.957 ppm2 2.823
!# peak 1327-----------------------------------------------
assi (attr store1 < 2.788 and attr store1 > 2.668)
    ((attr store1 < 2.893 and attr store1 > 2.833)
     and bondedto (attr store1 < 50.151 and attr store1 > 48.951))
6 6 0 peak 1327 volume 1257427968 hpm1 49.551 ppm1 2.863 ppm2 2.728
!# peak 1329-----------------------------------------------
assi (attr store1 < 2.557 and attr store1 > 2.437)
    ((attr store1 < 2.716 and attr store1 > 2.656)
     and bondedto (attr store1 < 50.141 and attr store1 > 48.941))
6 6 0 peak 1329 volume 125480696 hpm1 49.541 ppm1 2.686 ppm2 2.497
!# peak 1330-----------------------------------------------
assi (attr store1 < 2.522 and attr store1 > 2.402)
    ((attr store1 < 2.894 and attr store1 > 2.834)
     and bondedto (attr store1 < 50.149 and attr store1 > 48.949))
6 6 0 peak 1330 volume 100929496 hpm1 49.549 ppm1 2.864 ppm2 2.462
!# peak 1331-----------------------------------------------
assi (attr store1 < 2.511 and attr store1 > 2.391)
    ((attr store1 < 0.986 and attr store1 > 0.926)
     and bondedto (attr store1 < 50.161 and attr store1 > 48.961))
6 6 0 peak 1331 volume 92006168 hpm1 49.561 ppm1 0.956 ppm2 2.451
!# peak 1334-----------------------------------------------
assi (attr store1 < 2.275 and attr store1 > 2.155)
    ((attr store1 < 2.714 and attr store1 > 2.654)
     and bondedto (attr store1 < 50.158 and attr store1 > 48.958))
6 6 0 peak 1334 volume 20198470 hpm1 49.558 ppm1 2.684 ppm2 2.215
!# peak 1335-----------------------------------------------
assi (attr store1 < 2.017 and attr store1 > 1.897)
    ((attr store1 < 2.896 and attr store1 > 2.836)
     and bondedto (attr store1 < 50.154 and attr store1 > 48.954))
6 6 0 peak 1335 volume 204430000 hpm1 49.554 ppm1 2.866 ppm2 1.957
!# peak 1336-----------------------------------------------
assi (attr store1 < 1.887 and attr store1 > 1.767)
    ((attr store1 < 2.896 and attr store1 > 2.836)
     and bondedto (attr store1 < 50.155 and attr store1 > 48.955))
6 6 0 peak 1336 volume 270848384 hpm1 49.555 ppm1 2.866 ppm2 1.827
!# peak 1337-----------------------------------------------
assi (attr store1 < 1.887 and attr store1 > 1.767)
    ((attr store1 < 2.718 and attr store1 > 2.658)
     and bondedto (attr store1 < 50.146 and attr store1 > 48.946))
6 6 0 peak 1337 volume 259612496 hpm1 49.546 ppm1 2.688 ppm2 1.827
!# peak 1339-----------------------------------------------
assi (attr store1 < 1.470 and attr store1 > 1.350)
    ((attr store1 < 2.896 and attr store1 > 2.836)
     and bondedto (attr store1 < 50.150 and attr store1 > 48.950))
6 6 0 peak 1339 volume 171583392 hpm1 49.550 ppm1 2.866 ppm2 1.410
!# peak 1344-----------------------------------------------
assi (attr store1 < 0.602 and attr store1 > 0.482)
    ((attr store1 < 2.715 and attr store1 > 2.655)
     and bondedto (attr store1 < 50.146 and attr store1 > 48.946))
6 6 0 peak 1344 volume 170387888 hpm1 49.546 ppm1 2.685 ppm2 0.542
!# peak 1345-----------------------------------------------
assi (attr store1 < 0.568 and attr store1 > 0.448)
    ((attr store1 < 2.893 and attr store1 > 2.833)
     and bondedto (attr store1 < 50.147 and attr store1 > 48.947))
6 6 0 peak 1345 volume 144093504 hpm1 49.547 ppm1 2.863 ppm2 0.508
!# peak 1351-----------------------------------------------
assi (attr store1 < 8.107 and attr store1 > 7.987)
    ((attr store1 < 0.711 and attr store1 > 0.651)
     and bondedto (attr store1 < 49.951 and attr store1 > 48.751))
6 6 0 peak 1351 volume 65189480 hpm1 49.351 ppm1 0.681 ppm2 8.047
!# peak 1352-----------------------------------------------
assi (attr store1 < 7.933 and attr store1 > 7.813)
    ((attr store1 < 0.646 and attr store1 > 0.586)
     and bondedto (attr store1 < 49.969 and attr store1 > 48.769))
6 6 0 peak 1352 volume 43054400 hpm1 49.369 ppm1 0.616 ppm2 7.873
!# peak 1353-----------------------------------------------
assi (attr store1 < 7.201 and attr store1 > 7.081)
    ((attr store1 < 0.713 and attr store1 > 0.653)
     and bondedto (attr store1 < 49.922 and attr store1 > 48.722))
6 6 0 peak 1353 volume 39392792 hpm1 49.322 ppm1 0.683 ppm2 7.141
!# peak 1355-----------------------------------------------
assi (attr store1 < 6.928 and attr store1 > 6.808)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 49.953 and attr store1 > 48.753))
6 6 0 peak 1355 volume 69573280 hpm1 49.353 ppm1 0.618 ppm2 6.868
!# peak 1361-----------------------------------------------
assi (attr store1 < 4.776 and attr store1 > 4.656)
    ((attr store1 < 0.645 and attr store1 > 0.585)
     and bondedto (attr store1 < 49.972 and attr store1 > 48.772))
6 6 0 peak 1361 volume 22137740 hpm1 49.372 ppm1 0.615 ppm2 4.716
!# peak 1362-----------------------------------------------
assi (attr store1 < 4.510 and attr store1 > 4.390)
    ((attr store1 < 0.649 and attr store1 > 0.589)
     and bondedto (attr store1 < 49.952 and attr store1 > 48.752))
6 6 0 peak 1362 volume 39926080 hpm1 49.352 ppm1 0.619 ppm2 4.450
!# peak 1363-----------------------------------------------
assi (attr store1 < 4.096 and attr store1 > 3.976)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 49.946 and attr store1 > 48.746))
6 6 0 peak 1363 volume 39221128 hpm1 49.346 ppm1 0.618 ppm2 4.036
!# peak 1365-----------------------------------------------
assi (attr store1 < 3.437 and attr store1 > 3.317)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 49.956 and attr store1 > 48.756))
6 6 0 peak 1365 volume 144363008 hpm1 49.356 ppm1 0.618 ppm2 3.377
!# peak 1366-----------------------------------------------
assi (attr store1 < 3.068 and attr store1 > 2.948)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 49.952 and attr store1 > 48.752))
6 6 0 peak 1366 volume 24585260 hpm1 49.352 ppm1 0.618 ppm2 3.008
!# peak 1368-----------------------------------------------
assi (attr store1 < 2.469 and attr store1 > 2.349)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 49.951 and attr store1 > 48.751))
6 6 0 peak 1368 volume 153418096 hpm1 49.351 ppm1 0.618 ppm2 2.409
!# peak 1371-----------------------------------------------
assi (attr store1 < 1.656 and attr store1 > 1.536)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 49.964 and attr store1 > 48.764))
6 6 0 peak 1371 volume 985353280 hpm1 49.364 ppm1 0.618 ppm2 1.596
!# peak 1372-----------------------------------------------
assi (attr store1 < 1.417 and attr store1 > 1.297)
    ((attr store1 < 0.649 and attr store1 > 0.589)
     and bondedto (attr store1 < 49.958 and attr store1 > 48.758))
6 6 0 peak 1372 volume 575943680 hpm1 49.358 ppm1 0.619 ppm2 1.357
!# peak 1387-----------------------------------------------
assi (attr store1 < 7.420 and attr store1 > 7.300)
    ((attr store1 < 0.555 and attr store1 > 0.495)
     and bondedto (attr store1 < 49.778 and attr store1 > 48.578))
6 6 0 peak 1387 volume 65470612 hpm1 49.178 ppm1 0.525 ppm2 7.360
!# peak 1389-----------------------------------------------
assi (attr store1 < 7.229 and attr store1 > 7.109)
    ((attr store1 < 0.114 and attr store1 > 0.054)
     and bondedto (attr store1 < 49.745 and attr store1 > 48.545))
6 6 0 peak 1389 volume 25605742 hpm1 49.145 ppm1 0.084 ppm2 7.169
!# peak 1390-----------------------------------------------
assi (attr store1 < 7.199 and attr store1 > 7.079)
    ((attr store1 < 0.554 and attr store1 > 0.494)
     and bondedto (attr store1 < 49.772 and attr store1 > 48.572))
6 6 0 peak 1390 volume 33364010 hpm1 49.172 ppm1 0.524 ppm2 7.139
!# peak 1392-----------------------------------------------
assi (attr store1 < 6.152 and attr store1 > 6.032)
    ((attr store1 < 0.557 and attr store1 > 0.497)
     and bondedto (attr store1 < 49.763 and attr store1 > 48.563))
6 6 0 peak 1392 volume 20771050 hpm1 49.163 ppm1 0.527 ppm2 6.092
!# peak 1395-----------------------------------------------
assi (attr store1 < 4.106 and attr store1 > 3.986)
    ((attr store1 < 0.555 and attr store1 > 0.495)
     and bondedto (attr store1 < 49.775 and attr store1 > 48.575))
6 6 0 peak 1395 volume 97870960 hpm1 49.175 ppm1 0.525 ppm2 4.046
!# peak 1396-----------------------------------------------
assi (attr store1 < 3.929 and attr store1 > 3.809)
    ((attr store1 < 0.555 and attr store1 > 0.495)
     and bondedto (attr store1 < 49.771 and attr store1 > 48.571))
6 6 0 peak 1396 volume 129651296 hpm1 49.171 ppm1 0.525 ppm2 3.869
!# peak 1397-----------------------------------------------
assi (attr store1 < 3.733 and attr store1 > 3.613)
    ((attr store1 < 0.713 and attr store1 > 0.653)
     and bondedto (attr store1 < 49.785 and attr store1 > 48.585))
6 6 0 peak 1397 volume 106158800 hpm1 49.185 ppm1 0.683 ppm2 3.673
!# peak 1399-----------------------------------------------
assi (attr store1 < 2.095 and attr store1 > 1.975)
    ((attr store1 < 0.553 and attr store1 > 0.493)
     and bondedto (attr store1 < 49.764 and attr store1 > 48.564))
6 6 0 peak 1399 volume 18715010 hpm1 49.164 ppm1 0.523 ppm2 2.035
!# peak 1400-----------------------------------------------
assi (attr store1 < 1.792 and attr store1 > 1.672)
    ((attr store1 < 0.555 and attr store1 > 0.495)
     and bondedto (attr store1 < 49.774 and attr store1 > 48.574))
6 6 0 peak 1400 volume 469830080 hpm1 49.174 ppm1 0.525 ppm2 1.732
!# peak 1402-----------------------------------------------
assi (attr store1 < 1.380 and attr store1 > 1.260)
    ((attr store1 < 0.554 and attr store1 > 0.494)
     and bondedto (attr store1 < 49.783 and attr store1 > 48.583))
6 6 0 peak 1402 volume 181448704 hpm1 49.183 ppm1 0.524 ppm2 1.320
!# peak 1404-----------------------------------------------
assi (attr store1 < 1.071 and attr store1 > 0.951)
    ((attr store1 < 0.555 and attr store1 > 0.495)
     and bondedto (attr store1 < 49.784 and attr store1 > 48.584))
6 6 0 peak 1404 volume 99273976 hpm1 49.184 ppm1 0.525 ppm2 1.011
!# peak 1410-----------------------------------------------
assi (attr store1 < 0.474 and attr store1 > 0.354)
    ((attr store1 < 0.714 and attr store1 > 0.654)
     and bondedto (attr store1 < 49.790 and attr store1 > 48.590))
6 6 0 peak 1410 volume 681144576 hpm1 49.190 ppm1 0.684 ppm2 0.414
!# peak 1412-----------------------------------------------
assi (attr store1 < 0.248 and attr store1 > 0.128)
    ((attr store1 < 0.713 and attr store1 > 0.653)
     and bondedto (attr store1 < 49.787 and attr store1 > 48.587))
6 6 0 peak 1412 volume 340259712 hpm1 49.187 ppm1 0.683 ppm2 0.188
!# peak 1415-----------------------------------------------
assi (attr store1 < -0.086 and attr store1 > -0.206)
    ((attr store1 < 0.556 and attr store1 > 0.496)
     and bondedto (attr store1 < 49.783 and attr store1 > 48.583))
6 6 0 peak 1415 volume 19630870 hpm1 49.183 ppm1 0.526 ppm2 -0.146
!# peak 1417-----------------------------------------------
assi (attr store1 < 7.664 and attr store1 > 7.544)
    ((attr store1 < 0.115 and attr store1 > 0.055)
     and bondedto (attr store1 < 49.575 and attr store1 > 48.375))
6 6 0 peak 1417 volume 22211080 hpm1 48.975 ppm1 0.085 ppm2 7.604
!# peak 1419-----------------------------------------------
assi (attr store1 < 7.021 and attr store1 > 6.901)
    ((attr store1 < 0.117 and attr store1 > 0.057)
     and bondedto (attr store1 < 49.596 and attr store1 > 48.396))
6 6 0 peak 1419 volume 80372696 hpm1 48.996 ppm1 0.087 ppm2 6.961
!# peak 1423-----------------------------------------------
assi (attr store1 < 4.526 and attr store1 > 4.406)
    ((attr store1 < 0.122 and attr store1 > 0.062)
     and bondedto (attr store1 < 49.597 and attr store1 > 48.397))
6 6 0 peak 1423 volume 19366940 hpm1 48.997 ppm1 0.092 ppm2 4.466
!# peak 1425-----------------------------------------------
assi (attr store1 < 4.322 and attr store1 > 4.202)
    ((attr store1 < 0.774 and attr store1 > 0.714)
     and bondedto (attr store1 < 49.560 and attr store1 > 48.360))
6 6 0 peak 1425 volume 90759184 hpm1 48.960 ppm1 0.744 ppm2 4.262
!# peak 1426-----------------------------------------------
assi (attr store1 < 4.341 and attr store1 > 4.221)
    ((attr store1 < 0.119 and attr store1 > 0.059)
     and bondedto (attr store1 < 49.602 and attr store1 > 48.402))
6 6 0 peak 1426 volume 37393392 hpm1 49.002 ppm1 0.089 ppm2 4.281
!# peak 1429-----------------------------------------------
assi (attr store1 < 4.067 and attr store1 > 3.947)
    ((attr store1 < 1.439 and attr store1 > 1.379)
     and bondedto (attr store1 < 49.557 and attr store1 > 48.357))
6 6 0 peak 1429 volume 285101088 hpm1 48.957 ppm1 1.409 ppm2 4.007
!# peak 1430-----------------------------------------------
assi (attr store1 < 4.065 and attr store1 > 3.945)
    ((attr store1 < 0.118 and attr store1 > 0.058)
     and bondedto (attr store1 < 49.596 and attr store1 > 48.396))
6 6 0 peak 1430 volume 47586580 hpm1 48.996 ppm1 0.088 ppm2 4.005
!# peak 1432-----------------------------------------------
assi (attr store1 < 3.025 and attr store1 > 2.905)
    ((attr store1 < 1.445 and attr store1 > 1.385)
     and bondedto (attr store1 < 49.565 and attr store1 > 48.365))
6 6 0 peak 1432 volume 207412704 hpm1 48.965 ppm1 1.415 ppm2 2.965
!# peak 1433-----------------------------------------------
assi (attr store1 < 3.016 and attr store1 > 2.896)
    ((attr store1 < 1.351 and attr store1 > 1.291)
     and bondedto (attr store1 < 49.571 and attr store1 > 48.371))
6 6 0 peak 1433 volume 141253696 hpm1 48.971 ppm1 1.321 ppm2 2.956
!# peak 1436-----------------------------------------------
assi (attr store1 < 2.644 and attr store1 > 2.524)
    ((attr store1 < 1.442 and attr store1 > 1.382)
     and bondedto (attr store1 < 49.610 and attr store1 > 48.410))
6 6 0 peak 1436 volume 12557399 hpm1 49.010 ppm1 1.412 ppm2 2.584
!# peak 1438-----------------------------------------------
assi (attr store1 < 1.929 and attr store1 > 1.809)
    ((attr store1 < 0.118 and attr store1 > 0.058)
     and bondedto (attr store1 < 49.588 and attr store1 > 48.388))
6 6 0 peak 1438 volume 36949500 hpm1 48.988 ppm1 0.088 ppm2 1.869
!# peak 1439-----------------------------------------------
assi (attr store1 < 1.687 and attr store1 > 1.567)
    ((attr store1 < 0.117 and attr store1 > 0.057)
     and bondedto (attr store1 < 49.597 and attr store1 > 48.397))
6 6 0 peak 1439 volume 238307408 hpm1 48.997 ppm1 0.087 ppm2 1.627
!# peak 1441-----------------------------------------------
assi (attr store1 < 1.431 and attr store1 > 1.311)
    ((attr store1 < 0.117 and attr store1 > 0.057)
     and bondedto (attr store1 < 49.597 and attr store1 > 48.397))
6 6 0 peak 1441 volume 396245376 hpm1 48.997 ppm1 0.087 ppm2 1.371
!# peak 1444-----------------------------------------------
assi (attr store1 < 1.157 and attr store1 > 1.037)
    ((attr store1 < 0.117 and attr store1 > 0.057)
     and bondedto (attr store1 < 49.594 and attr store1 > 48.394))
6 6 0 peak 1444 volume 217267600 hpm1 48.994 ppm1 0.087 ppm2 1.097
!# peak 1449-----------------------------------------------
assi (attr store1 < 0.833 and attr store1 > 0.713)
    ((attr store1 < 1.443 and attr store1 > 1.383)
     and bondedto (attr store1 < 49.573 and attr store1 > 48.373))
6 6 0 peak 1449 volume 143825904 hpm1 48.973 ppm1 1.413 ppm2 0.773
!# peak 1450-----------------------------------------------
assi (attr store1 < 0.842 and attr store1 > 0.722)
    ((attr store1 < 1.351 and attr store1 > 1.291)
     and bondedto (attr store1 < 49.579 and attr store1 > 48.379))
6 6 0 peak 1450 volume 285165184 hpm1 48.979 ppm1 1.321 ppm2 0.782
!# peak 1451-----------------------------------------------
assi (attr store1 < 0.777 and attr store1 > 0.657)
    ((attr store1 < 0.117 and attr store1 > 0.057)
     and bondedto (attr store1 < 49.599 and attr store1 > 48.399))
6 6 0 peak 1451 volume 141293408 hpm1 48.999 ppm1 0.087 ppm2 0.717
!# peak 1452-----------------------------------------------
assi (attr store1 < 0.519 and attr store1 > 0.399)
    ((attr store1 < 0.117 and attr store1 > 0.057)
     and bondedto (attr store1 < 49.594 and attr store1 > 48.394))
6 6 0 peak 1452 volume 343864128 hpm1 48.994 ppm1 0.087 ppm2 0.459
!# peak 1461-----------------------------------------------
assi (attr store1 < 8.294 and attr store1 > 8.174)
    ((attr store1 < 0.781 and attr store1 > 0.721)
     and bondedto (attr store1 < 49.403 and attr store1 > 48.203))
6 6 0 peak 1461 volume 68201032 hpm1 48.803 ppm1 0.751 ppm2 8.234
!# peak 1462-----------------------------------------------
assi (attr store1 < 7.892 and attr store1 > 7.772)
    ((attr store1 < 1.596 and attr store1 > 1.536)
     and bondedto (attr store1 < 49.388 and attr store1 > 48.188))
6 6 0 peak 1462 volume 63243108 hpm1 48.788 ppm1 1.566 ppm2 7.832
!# peak 1463-----------------------------------------------
assi (attr store1 < 7.890 and attr store1 > 7.770)
    ((attr store1 < 1.479 and attr store1 > 1.419)
     and bondedto (attr store1 < 49.377 and attr store1 > 48.177))
6 6 0 peak 1463 volume 64573728 hpm1 48.777 ppm1 1.449 ppm2 7.830
!# peak 1464-----------------------------------------------
assi (attr store1 < 7.426 and attr store1 > 7.306)
    ((attr store1 < 0.803 and attr store1 > 0.743)
     and bondedto (attr store1 < 49.397 and attr store1 > 48.197))
6 6 0 peak 1464 volume 310034912 hpm1 48.797 ppm1 0.773 ppm2 7.366
!# peak 1466-----------------------------------------------
assi (attr store1 < 6.842 and attr store1 > 6.722)
    ((attr store1 < 1.421 and attr store1 > 1.361)
     and bondedto (attr store1 < 49.390 and attr store1 > 48.190))
6 6 0 peak 1466 volume 29264768 hpm1 48.790 ppm1 1.391 ppm2 6.782
!# peak 1467-----------------------------------------------
assi (attr store1 < 6.842 and attr store1 > 6.722)
    ((attr store1 < 1.320 and attr store1 > 1.260)
     and bondedto (attr store1 < 49.391 and attr store1 > 48.191))
6 6 0 peak 1467 volume 24068120 hpm1 48.791 ppm1 1.290 ppm2 6.782
!# peak 1473-----------------------------------------------
assi (attr store1 < 4.778 and attr store1 > 4.658)
    ((attr store1 < 0.798 and attr store1 > 0.738)
     and bondedto (attr store1 < 49.387 and attr store1 > 48.187))
6 6 0 peak 1473 volume 73986648 hpm1 48.787 ppm1 0.768 ppm2 4.718
!# peak 1476-----------------------------------------------
assi (attr store1 < 4.066 and attr store1 > 3.946)
    ((attr store1 < 1.328 and attr store1 > 1.268)
     and bondedto (attr store1 < 49.406 and attr store1 > 48.206))
6 6 0 peak 1476 volume 430390080 hpm1 48.806 ppm1 1.298 ppm2 4.006
!# peak 1477-----------------------------------------------
assi (attr store1 < 4.069 and attr store1 > 3.949)
    ((attr store1 < 0.777 and attr store1 > 0.717)
     and bondedto (attr store1 < 49.413 and attr store1 > 48.213))
6 6 0 peak 1477 volume 378501216 hpm1 48.813 ppm1 0.747 ppm2 4.009
!# peak 1479-----------------------------------------------
assi (attr store1 < 3.910 and attr store1 > 3.790)
    ((attr store1 < 1.596 and attr store1 > 1.536)
     and bondedto (attr store1 < 49.381 and attr store1 > 48.181))
6 6 0 peak 1479 volume 44776712 hpm1 48.781 ppm1 1.566 ppm2 3.850
!# peak 1480-----------------------------------------------
assi (attr store1 < 3.890 and attr store1 > 3.770)
    ((attr store1 < 0.806 and attr store1 > 0.746)
     and bondedto (attr store1 < 49.389 and attr store1 > 48.189))
6 6 0 peak 1480 volume 447176384 hpm1 48.789 ppm1 0.776 ppm2 3.830
!# peak 1481-----------------------------------------------
assi (attr store1 < 3.289 and attr store1 > 3.169)
    ((attr store1 < 0.777 and attr store1 > 0.717)
     and bondedto (attr store1 < 49.406 and attr store1 > 48.206))
6 6 0 peak 1481 volume 68386784 hpm1 48.806 ppm1 0.747 ppm2 3.229
!# peak 1482-----------------------------------------------
assi (attr store1 < 3.103 and attr store1 > 2.983)
    ((attr store1 < 1.596 and attr store1 > 1.536)
     and bondedto (attr store1 < 49.382 and attr store1 > 48.182))
6 6 0 peak 1482 volume 117656904 hpm1 48.782 ppm1 1.566 ppm2 3.043
!# peak 1483-----------------------------------------------
assi (attr store1 < 3.067 and attr store1 > 2.947)
    ((attr store1 < 0.778 and attr store1 > 0.718)
     and bondedto (attr store1 < 49.415 and attr store1 > 48.215))
6 6 0 peak 1483 volume 88944904 hpm1 48.815 ppm1 0.748 ppm2 3.007
!# peak 1485-----------------------------------------------
assi (attr store1 < 1.966 and attr store1 > 1.846)
    ((attr store1 < 1.468 and attr store1 > 1.408)
     and bondedto (attr store1 < 49.411 and attr store1 > 48.211))
6 6 0 peak 1485 volume 1102546944 hpm1 48.811 ppm1 1.438 ppm2 1.906
!# peak 1486-----------------------------------------------
assi (attr store1 < 1.957 and attr store1 > 1.837)
    ((attr store1 < 0.779 and attr store1 > 0.719)
     and bondedto (attr store1 < 49.412 and attr store1 > 48.212))
6 6 0 peak 1486 volume 251082208 hpm1 48.812 ppm1 0.749 ppm2 1.897
!# peak 1489-----------------------------------------------
assi (attr store1 < 1.702 and attr store1 > 1.582)
    ((attr store1 < 1.328 and attr store1 > 1.268)
     and bondedto (attr store1 < 49.390 and attr store1 > 48.190))
6 6 0 peak 1489 volume 0.3711722e+10 hpm1 48.790 ppm1 1.298 ppm2 1.642
!# peak 1495-----------------------------------------------
assi (attr store1 < 1.474 and attr store1 > 1.354)
    ((attr store1 < 0.784 and attr store1 > 0.724)
     and bondedto (attr store1 < 49.407 and attr store1 > 48.207))
6 6 0 peak 1495 volume 1017038016 hpm1 48.807 ppm1 0.754 ppm2 1.414
!# peak 1498-----------------------------------------------
assi (attr store1 < 1.194 and attr store1 > 1.074)
    ((attr store1 < 0.801 and attr store1 > 0.741)
     and bondedto (attr store1 < 49.382 and attr store1 > 48.182))
6 6 0 peak 1498 volume 403424800 hpm1 48.782 ppm1 0.771 ppm2 1.134
!# peak 1507-----------------------------------------------
assi (attr store1 < 9.073 and attr store1 > 8.953)
    ((attr store1 < 3.641 and attr store1 > 3.581)
     and bondedto (attr store1 < 49.185 and attr store1 > 47.985))
6 6 0 peak 1507 volume 24508790 hpm1 48.585 ppm1 3.611 ppm2 9.013
!# peak 1508-----------------------------------------------
assi (attr store1 < 8.749 and attr store1 > 8.629)
    ((attr store1 < 3.643 and attr store1 > 3.583)
     and bondedto (attr store1 < 49.185 and attr store1 > 47.985))
6 6 0 peak 1508 volume 197354000 hpm1 48.585 ppm1 3.613 ppm2 8.689
!# peak 1509-----------------------------------------------
assi (attr store1 < 8.064 and attr store1 > 7.944)
    ((attr store1 < 3.644 and attr store1 > 3.584)
     and bondedto (attr store1 < 49.198 and attr store1 > 47.998))
6 6 0 peak 1509 volume 10227530 hpm1 48.598 ppm1 3.614 ppm2 8.004
!# peak 1512-----------------------------------------------
assi (attr store1 < 7.891 and attr store1 > 7.771)
    ((attr store1 < 3.641 and attr store1 > 3.581)
     and bondedto (attr store1 < 49.182 and attr store1 > 47.982))
6 6 0 peak 1512 volume 122223800 hpm1 48.582 ppm1 3.611 ppm2 7.831
!# peak 1513-----------------------------------------------
assi (attr store1 < 7.574 and attr store1 > 7.454)
    ((attr store1 < 3.642 and attr store1 > 3.582)
     and bondedto (attr store1 < 49.185 and attr store1 > 47.985))
6 6 0 peak 1513 volume 6915846 hpm1 48.585 ppm1 3.612 ppm2 7.514
!# peak 1514-----------------------------------------------
assi (attr store1 < 7.437 and attr store1 > 7.317)
    ((attr store1 < 1.594 and attr store1 > 1.534)
     and bondedto (attr store1 < 49.200 and attr store1 > 48.000))
6 6 0 peak 1514 volume 85028400 hpm1 48.600 ppm1 1.564 ppm2 7.377
!# peak 1515-----------------------------------------------
assi (attr store1 < 7.437 and attr store1 > 7.317)
    ((attr store1 < 1.531 and attr store1 > 1.471)
     and bondedto (attr store1 < 49.193 and attr store1 > 47.993))
6 6 0 peak 1515 volume 90029152 hpm1 48.593 ppm1 1.501 ppm2 7.377
!# peak 1532-----------------------------------------------
assi (attr store1 < 4.649 and attr store1 > 4.529)
    ((attr store1 < 3.642 and attr store1 > 3.582)
     and bondedto (attr store1 < 49.182 and attr store1 > 47.982))
6 6 0 peak 1532 volume 899252992 hpm1 48.582 ppm1 3.612 ppm2 4.589
!# peak 1537-----------------------------------------------
assi (attr store1 < 4.469 and attr store1 > 4.349)
    ((attr store1 < 1.596 and attr store1 > 1.536)
     and bondedto (attr store1 < 49.204 and attr store1 > 48.004))
6 6 0 peak 1537 volume 101875200 hpm1 48.604 ppm1 1.566 ppm2 4.409
!# peak 1538-----------------------------------------------
assi (attr store1 < 4.467 and attr store1 > 4.347)
    ((attr store1 < 1.530 and attr store1 > 1.470)
     and bondedto (attr store1 < 49.198 and attr store1 > 47.998))
6 6 0 peak 1538 volume 113311000 hpm1 48.598 ppm1 1.500 ppm2 4.407
!# peak 1540-----------------------------------------------
assi (attr store1 < 4.113 and attr store1 > 3.993)
    ((attr store1 < 1.597 and attr store1 > 1.537)
     and bondedto (attr store1 < 49.223 and attr store1 > 48.023))
6 6 0 peak 1540 volume 69127360 hpm1 48.623 ppm1 1.567 ppm2 4.053
!# peak 1541-----------------------------------------------
assi (attr store1 < 4.117 and attr store1 > 3.997)
    ((attr store1 < 1.530 and attr store1 > 1.470)
     and bondedto (attr store1 < 49.208 and attr store1 > 48.008))
6 6 0 peak 1541 volume 93529304 hpm1 48.608 ppm1 1.500 ppm2 4.057
!# peak 1555-----------------------------------------------
assi (attr store1 < 3.643 and attr store1 > 3.523)
    ((attr store1 < 1.851 and attr store1 > 1.791)
     and bondedto (attr store1 < 49.221 and attr store1 > 48.021))
6 6 0 peak 1555 volume 197043296 hpm1 48.621 ppm1 1.821 ppm2 3.583
!# peak 1557-----------------------------------------------
assi (attr store1 < 3.432 and attr store1 > 3.312)
    ((attr store1 < 3.648 and attr store1 > 3.588)
     and bondedto (attr store1 < 49.184 and attr store1 > 47.984))
6 6 0 peak 1557 volume 651728192 hpm1 48.584 ppm1 3.618 ppm2 3.372
!# peak 1560-----------------------------------------------
assi (attr store1 < 2.338 and attr store1 > 2.218)
    ((attr store1 < 1.870 and attr store1 > 1.810)
     and bondedto (attr store1 < 49.230 and attr store1 > 48.030))
6 6 0 peak 1560 volume 56496388 hpm1 48.630 ppm1 1.840 ppm2 2.278
!# peak 1563-----------------------------------------------
assi (attr store1 < 2.074 and attr store1 > 1.954)
    ((attr store1 < 3.645 and attr store1 > 3.585)
     and bondedto (attr store1 < 49.180 and attr store1 > 47.980))
6 6 0 peak 1563 volume 128620208 hpm1 48.580 ppm1 3.615 ppm2 2.014
!# peak 1564-----------------------------------------------
assi (attr store1 < 1.965 and attr store1 > 1.845)
    ((attr store1 < 1.596 and attr store1 > 1.536)
     and bondedto (attr store1 < 49.225 and attr store1 > 48.025))
6 6 0 peak 1564 volume 741909952 hpm1 48.625 ppm1 1.566 ppm2 1.905
!# peak 1565-----------------------------------------------
assi (attr store1 < 1.956 and attr store1 > 1.836)
    ((attr store1 < 0.990 and attr store1 > 0.930)
     and bondedto (attr store1 < 49.232 and attr store1 > 48.032))
6 6 0 peak 1565 volume 252707504 hpm1 48.632 ppm1 0.960 ppm2 1.896
!# peak 1567-----------------------------------------------
assi (attr store1 < 1.830 and attr store1 > 1.710)
    ((attr store1 < 3.645 and attr store1 > 3.585)
     and bondedto (attr store1 < 49.182 and attr store1 > 47.982))
6 6 0 peak 1567 volume 149086800 hpm1 48.582 ppm1 3.615 ppm2 1.770
!# peak 1571-----------------------------------------------
assi (attr store1 < 1.398 and attr store1 > 1.278)
    ((attr store1 < 3.644 and attr store1 > 3.584)
     and bondedto (attr store1 < 49.179 and attr store1 > 47.979))
6 6 0 peak 1571 volume 104602600 hpm1 48.579 ppm1 3.614 ppm2 1.338
!# peak 1573-----------------------------------------------
assi (attr store1 < 1.472 and attr store1 > 1.352)
    ((attr store1 < 0.554 and attr store1 > 0.494)
     and bondedto (attr store1 < 49.256 and attr store1 > 48.056))
6 6 0 peak 1573 volume 43248992 hpm1 48.656 ppm1 0.524 ppm2 1.412
!# peak 1575-----------------------------------------------
assi (attr store1 < 1.076 and attr store1 > 0.956)
    ((attr store1 < 3.645 and attr store1 > 3.585)
     and bondedto (attr store1 < 49.181 and attr store1 > 47.981))
6 6 0 peak 1575 volume 115915200 hpm1 48.581 ppm1 3.615 ppm2 1.016
!# peak 1576-----------------------------------------------
assi (attr store1 < 1.047 and attr store1 > 0.927)
    ((attr store1 < 1.770 and attr store1 > 1.710)
     and bondedto (attr store1 < 49.155 and attr store1 > 47.955))
6 6 0 peak 1576 volume 44576960 hpm1 48.555 ppm1 1.740 ppm2 0.987
!# peak 1578-----------------------------------------------
assi (attr store1 < 0.921 and attr store1 > 0.801)
    ((attr store1 < 1.579 and attr store1 > 1.519)
     and bondedto (attr store1 < 49.240 and attr store1 > 48.040))
6 6 0 peak 1578 volume 62397344 hpm1 48.640 ppm1 1.549 ppm2 0.861
!# peak 1579-----------------------------------------------
assi (attr store1 < 0.704 and attr store1 > 0.584)
    ((attr store1 < 1.595 and attr store1 > 1.535)
     and bondedto (attr store1 < 49.207 and attr store1 > 48.007))
6 6 0 peak 1579 volume 58414380 hpm1 48.607 ppm1 1.565 ppm2 0.644
!# peak 1597-----------------------------------------------
assi (attr store1 < 7.203 and attr store1 > 7.083)
    ((attr store1 < 3.644 and attr store1 > 3.584)
     and bondedto (attr store1 < 49.039 and attr store1 > 47.839))
6 6 0 peak 1597 volume 122369696 hpm1 48.439 ppm1 3.614 ppm2 7.143
!# peak 1607-----------------------------------------------
assi (attr store1 < 4.833 and attr store1 > 4.713)
    ((attr store1 < 1.408 and attr store1 > 1.348)
     and bondedto (attr store1 < 49.006 and attr store1 > 47.806))
6 6 0 peak 1607 volume 45451892 hpm1 48.406 ppm1 1.378 ppm2 4.773
!# peak 1620-----------------------------------------------
assi (attr store1 < 4.238 and attr store1 > 4.118)
    ((attr store1 < 3.643 and attr store1 > 3.583)
     and bondedto (attr store1 < 49.035 and attr store1 > 47.835))
6 6 0 peak 1620 volume 55211920 hpm1 48.435 ppm1 3.613 ppm2 4.178
!# peak 1649-----------------------------------------------
assi (attr store1 < 9.079 and attr store1 > 8.959)
    ((attr store1 < 1.325 and attr store1 > 1.265)
     and bondedto (attr store1 < 48.823 and attr store1 > 47.623))
6 6 0 peak 1649 volume 30154652 hpm1 48.223 ppm1 1.295 ppm2 9.019
!# peak 1651-----------------------------------------------
assi (attr store1 < 7.883 and attr store1 > 7.763)
    ((attr store1 < 1.322 and attr store1 > 1.262)
     and bondedto (attr store1 < 48.838 and attr store1 > 47.638))
6 6 0 peak 1651 volume 24309650 hpm1 48.238 ppm1 1.292 ppm2 7.823
!# peak 1653-----------------------------------------------
assi (attr store1 < 7.422 and attr store1 > 7.302)
    ((attr store1 < 1.325 and attr store1 > 1.265)
     and bondedto (attr store1 < 48.835 and attr store1 > 47.635))
6 6 0 peak 1653 volume 300997792 hpm1 48.235 ppm1 1.295 ppm2 7.362
!# peak 1654-----------------------------------------------
assi (attr store1 < 7.206 and attr store1 > 7.086)
    ((attr store1 < 1.325 and attr store1 > 1.265)
     and bondedto (attr store1 < 48.836 and attr store1 > 47.636))
6 6 0 peak 1654 volume 157201312 hpm1 48.236 ppm1 1.295 ppm2 7.146
!# peak 1655-----------------------------------------------
assi (attr store1 < 7.054 and attr store1 > 6.934)
    ((attr store1 < 1.325 and attr store1 > 1.265)
     and bondedto (attr store1 < 48.836 and attr store1 > 47.636))
6 6 0 peak 1655 volume 203381296 hpm1 48.236 ppm1 1.295 ppm2 6.994
!# peak 1660-----------------------------------------------
assi (attr store1 < 4.233 and attr store1 > 4.113)
    ((attr store1 < 1.325 and attr store1 > 1.265)
     and bondedto (attr store1 < 48.837 and attr store1 > 47.637))
6 6 0 peak 1660 volume 406172896 hpm1 48.237 ppm1 1.295 ppm2 4.173
!# peak 1663-----------------------------------------------
assi (attr store1 < 2.341 and attr store1 > 2.221)
    ((attr store1 < 1.324 and attr store1 > 1.264)
     and bondedto (attr store1 < 48.843 and attr store1 > 47.643))
6 6 0 peak 1663 volume 46522180 hpm1 48.243 ppm1 1.294 ppm2 2.281
!# peak 1664-----------------------------------------------
assi (attr store1 < 2.070 and attr store1 > 1.950)
    ((attr store1 < 1.325 and attr store1 > 1.265)
     and bondedto (attr store1 < 48.833 and attr store1 > 47.633))
6 6 0 peak 1664 volume 299887680 hpm1 48.233 ppm1 1.295 ppm2 2.010
!# peak 1670-----------------------------------------------
assi (attr store1 < 1.065 and attr store1 > 0.945)
    ((attr store1 < 1.325 and attr store1 > 1.265)
     and bondedto (attr store1 < 48.838 and attr store1 > 47.638))
6 6 0 peak 1670 volume 1056265984 hpm1 48.238 ppm1 1.295 ppm2 1.005
!# peak 1672-----------------------------------------------
assi (attr store1 < 0.786 and attr store1 > 0.666)
    ((attr store1 < 1.325 and attr store1 > 1.265)
     and bondedto (attr store1 < 48.838 and attr store1 > 47.638))
6 6 0 peak 1672 volume 320750304 hpm1 48.238 ppm1 1.295 ppm2 0.726
!# peak 1675-----------------------------------------------
assi (attr store1 < 0.605 and attr store1 > 0.485)
    ((attr store1 < 1.325 and attr store1 > 1.265)
     and bondedto (attr store1 < 48.837 and attr store1 > 47.637))
6 6 0 peak 1675 volume 130895600 hpm1 48.237 ppm1 1.295 ppm2 0.545
!# peak 1676-----------------------------------------------
assi (attr store1 < 0.426 and attr store1 > 0.306)
    ((attr store1 < 1.325 and attr store1 > 1.265)
     and bondedto (attr store1 < 48.837 and attr store1 > 47.637))
6 6 0 peak 1676 volume 310491808 hpm1 48.237 ppm1 1.295 ppm2 0.366
!# peak 1683-----------------------------------------------
assi (attr store1 < 8.744 and attr store1 > 8.624)
    ((attr store1 < 1.446 and attr store1 > 1.386)
     and bondedto (attr store1 < 48.647 and attr store1 > 47.447))
6 6 0 peak 1683 volume 67257480 hpm1 48.047 ppm1 1.416 ppm2 8.684
!# peak 1684-----------------------------------------------
assi (attr store1 < 8.739 and attr store1 > 8.619)
    ((attr store1 < 0.209 and attr store1 > 0.149)
     and bondedto (attr store1 < 48.645 and attr store1 > 47.445))
6 6 0 peak 1684 volume 25164988 hpm1 48.045 ppm1 0.179 ppm2 8.679
!# peak 1687-----------------------------------------------
assi (attr store1 < 8.156 and attr store1 > 8.036)
    ((attr store1 < 1.445 and attr store1 > 1.385)
     and bondedto (attr store1 < 48.641 and attr store1 > 47.441))
6 6 0 peak 1687 volume 265579408 hpm1 48.041 ppm1 1.415 ppm2 8.096
!# peak 1689-----------------------------------------------
assi (attr store1 < 7.885 and attr store1 > 7.765)
    ((attr store1 < 1.447 and attr store1 > 1.387)
     and bondedto (attr store1 < 48.651 and attr store1 > 47.451))
6 6 0 peak 1689 volume 67885088 hpm1 48.051 ppm1 1.417 ppm2 7.825
!# peak 1690-----------------------------------------------
assi (attr store1 < 7.882 and attr store1 > 7.762)
    ((attr store1 < 0.211 and attr store1 > 0.151)
     and bondedto (attr store1 < 48.655 and attr store1 > 47.455))
6 6 0 peak 1690 volume 52366280 hpm1 48.055 ppm1 0.181 ppm2 7.822
!# peak 1691-----------------------------------------------
assi (attr store1 < 7.648 and attr store1 > 7.528)
    ((attr store1 < 1.444 and attr store1 > 1.384)
     and bondedto (attr store1 < 48.639 and attr store1 > 47.439))
6 6 0 peak 1691 volume 87610544 hpm1 48.039 ppm1 1.414 ppm2 7.588
!# peak 1692-----------------------------------------------
assi (attr store1 < 7.210 and attr store1 > 7.090)
    ((attr store1 < 1.444 and attr store1 > 1.384)
     and bondedto (attr store1 < 48.641 and attr store1 > 47.441))
6 6 0 peak 1692 volume 411961696 hpm1 48.041 ppm1 1.414 ppm2 7.150
!# peak 1693-----------------------------------------------
assi (attr store1 < 7.202 and attr store1 > 7.082)
    ((attr store1 < 0.212 and attr store1 > 0.152)
     and bondedto (attr store1 < 48.645 and attr store1 > 47.445))
6 6 0 peak 1693 volume 49012332 hpm1 48.045 ppm1 0.182 ppm2 7.142
!# peak 1696-----------------------------------------------
assi (attr store1 < 7.027 and attr store1 > 6.907)
    ((attr store1 < 0.210 and attr store1 > 0.150)
     and bondedto (attr store1 < 48.647 and attr store1 > 47.447))
6 6 0 peak 1696 volume 143846800 hpm1 48.047 ppm1 0.180 ppm2 6.967
!# peak 1698-----------------------------------------------
assi (attr store1 < 6.147 and attr store1 > 6.027)
    ((attr store1 < 1.446 and attr store1 > 1.386)
     and bondedto (attr store1 < 48.646 and attr store1 > 47.446))
6 6 0 peak 1698 volume 32813480 hpm1 48.046 ppm1 1.416 ppm2 6.087
!# peak 1701-----------------------------------------------
assi (attr store1 < 4.654 and attr store1 > 4.534)
    ((attr store1 < 1.444 and attr store1 > 1.384)
     and bondedto (attr store1 < 48.645 and attr store1 > 47.445))
6 6 0 peak 1701 volume 432950720 hpm1 48.045 ppm1 1.414 ppm2 4.594
!# peak 1702-----------------------------------------------
assi (attr store1 < 3.885 and attr store1 > 3.765)
    ((attr store1 < 1.444 and attr store1 > 1.384)
     and bondedto (attr store1 < 48.641 and attr store1 > 47.441))
6 6 0 peak 1702 volume 359523520 hpm1 48.041 ppm1 1.414 ppm2 3.825
!# peak 1703-----------------------------------------------
assi (attr store1 < 3.657 and attr store1 > 3.537)
    ((attr store1 < 1.444 and attr store1 > 1.384)
     and bondedto (attr store1 < 48.641 and attr store1 > 47.441))
6 6 0 peak 1703 volume 327514304 hpm1 48.041 ppm1 1.414 ppm2 3.597
!# peak 1704-----------------------------------------------
assi (attr store1 < 3.429 and attr store1 > 3.309)
    ((attr store1 < 1.445 and attr store1 > 1.385)
     and bondedto (attr store1 < 48.642 and attr store1 > 47.442))
6 6 0 peak 1704 volume 231051296 hpm1 48.042 ppm1 1.415 ppm2 3.369
!# peak 1705-----------------------------------------------
assi (attr store1 < 3.342 and attr store1 > 3.222)
    ((attr store1 < 0.210 and attr store1 > 0.150)
     and bondedto (attr store1 < 48.646 and attr store1 > 47.446))
6 6 0 peak 1705 volume 293602720 hpm1 48.046 ppm1 0.180 ppm2 3.282
!# peak 1706-----------------------------------------------
assi (attr store1 < 2.653 and attr store1 > 2.533)
    ((attr store1 < 1.444 and attr store1 > 1.384)
     and bondedto (attr store1 < 48.640 and attr store1 > 47.440))
6 6 0 peak 1706 volume 444552000 hpm1 48.040 ppm1 1.414 ppm2 2.593
!# peak 1707-----------------------------------------------
assi (attr store1 < 2.251 and attr store1 > 2.131)
    ((attr store1 < 1.446 and attr store1 > 1.386)
     and bondedto (attr store1 < 48.637 and attr store1 > 47.437))
6 6 0 peak 1707 volume 46508120 hpm1 48.037 ppm1 1.416 ppm2 2.191
!# peak 1708-----------------------------------------------
assi (attr store1 < 1.836 and attr store1 > 1.716)
    ((attr store1 < 0.210 and attr store1 > 0.150)
     and bondedto (attr store1 < 48.639 and attr store1 > 47.439))
6 6 0 peak 1708 volume 359264800 hpm1 48.039 ppm1 0.180 ppm2 1.776
!# peak 1714-----------------------------------------------
assi (attr store1 < 1.369 and attr store1 > 1.249)
    ((attr store1 < 0.208 and attr store1 > 0.148)
     and bondedto (attr store1 < 48.639 and attr store1 > 47.439))
6 6 0 peak 1714 volume 70071320 hpm1 48.039 ppm1 0.178 ppm2 1.309
!# peak 1715-----------------------------------------------
assi (attr store1 < 1.065 and attr store1 > 0.945)
    ((attr store1 < 1.444 and attr store1 > 1.384)
     and bondedto (attr store1 < 48.640 and attr store1 > 47.440))
6 6 0 peak 1715 volume 644030976 hpm1 48.040 ppm1 1.414 ppm2 1.005
!# peak 1716-----------------------------------------------
assi (attr store1 < 1.063 and attr store1 > 0.943)
    ((attr store1 < 0.210 and attr store1 > 0.150)
     and bondedto (attr store1 < 48.647 and attr store1 > 47.447))
6 6 0 peak 1716 volume 333045312 hpm1 48.047 ppm1 0.180 ppm2 1.003
!# peak 1718-----------------------------------------------
assi (attr store1 < 0.745 and attr store1 > 0.625)
    ((attr store1 < 0.210 and attr store1 > 0.150)
     and bondedto (attr store1 < 48.645 and attr store1 > 47.445))
6 6 0 peak 1718 volume 464039520 hpm1 48.045 ppm1 0.180 ppm2 0.685
!# peak 1751-----------------------------------------------
assi (attr store1 < 7.936 and attr store1 > 7.816)
    ((attr store1 < 3.804 and attr store1 > 3.744)
     and bondedto (attr store1 < 48.271 and attr store1 > 47.071))
6 6 0 peak 1751 volume 419211808 hpm1 47.671 ppm1 3.774 ppm2 7.876
!# peak 1754-----------------------------------------------
assi (attr store1 < 7.254 and attr store1 > 7.134)
    ((attr store1 < 3.804 and attr store1 > 3.744)
     and bondedto (attr store1 < 48.273 and attr store1 > 47.073))
6 6 0 peak 1754 volume 699984320 hpm1 47.673 ppm1 3.774 ppm2 7.194
!# peak 1783-----------------------------------------------
assi (attr store1 < 8.573 and attr store1 > 8.453)
    ((attr store1 < 0.378 and attr store1 > 0.318)
     and bondedto (attr store1 < 48.093 and attr store1 > 46.893))
6 6 0 peak 1783 volume 16686191 hpm1 47.493 ppm1 0.348 ppm2 8.513
!# peak 1785-----------------------------------------------
assi (attr store1 < 7.846 and attr store1 > 7.726)
    ((attr store1 < 0.387 and attr store1 > 0.327)
     and bondedto (attr store1 < 48.118 and attr store1 > 46.918))
6 6 0 peak 1785 volume 23413110 hpm1 47.518 ppm1 0.357 ppm2 7.786
!# peak 1786-----------------------------------------------
assi (attr store1 < 7.419 and attr store1 > 7.299)
    ((attr store1 < 0.377 and attr store1 > 0.317)
     and bondedto (attr store1 < 48.089 and attr store1 > 46.889))
6 6 0 peak 1786 volume 54497332 hpm1 47.489 ppm1 0.347 ppm2 7.359
!# peak 1787-----------------------------------------------
assi (attr store1 < 7.198 and attr store1 > 7.078)
    ((attr store1 < 0.387 and attr store1 > 0.327)
     and bondedto (attr store1 < 48.093 and attr store1 > 46.893))
6 6 0 peak 1787 volume 60318144 hpm1 47.493 ppm1 0.357 ppm2 7.138
!# peak 1792-----------------------------------------------
assi (attr store1 < 6.150 and attr store1 > 6.030)
    ((attr store1 < 0.387 and attr store1 > 0.327)
     and bondedto (attr store1 < 48.097 and attr store1 > 46.897))
6 6 0 peak 1792 volume 41478412 hpm1 47.497 ppm1 0.357 ppm2 6.090
!# peak 1800-----------------------------------------------
assi (attr store1 < 5.842 and attr store1 > 5.722)
    ((attr store1 < 0.377 and attr store1 > 0.317)
     and bondedto (attr store1 < 48.106 and attr store1 > 46.906))
6 6 0 peak 1800 volume 16284810 hpm1 47.506 ppm1 0.347 ppm2 5.782
!# peak 1803-----------------------------------------------
assi (attr store1 < 4.606 and attr store1 > 4.486)
    ((attr store1 < 0.896 and attr store1 > 0.836)
     and bondedto (attr store1 < 48.083 and attr store1 > 46.883))
6 6 0 peak 1803 volume 62059556 hpm1 47.483 ppm1 0.866 ppm2 4.546
!# peak 1804-----------------------------------------------
assi (attr store1 < 3.931 and attr store1 > 3.811)
    ((attr store1 < 0.378 and attr store1 > 0.318)
     and bondedto (attr store1 < 48.088 and attr store1 > 46.888))
6 6 0 peak 1804 volume 268616800 hpm1 47.488 ppm1 0.348 ppm2 3.871
!# peak 1810-----------------------------------------------
assi (attr store1 < 3.105 and attr store1 > 2.985)
    ((attr store1 < 0.387 and attr store1 > 0.327)
     and bondedto (attr store1 < 48.100 and attr store1 > 46.900))
6 6 0 peak 1810 volume 22846070 hpm1 47.500 ppm1 0.357 ppm2 3.045
!# peak 1815-----------------------------------------------
assi (attr store1 < 1.829 and attr store1 > 1.709)
    ((attr store1 < 0.387 and attr store1 > 0.327)
     and bondedto (attr store1 < 48.094 and attr store1 > 46.894))
6 6 0 peak 1815 volume 439660192 hpm1 47.494 ppm1 0.357 ppm2 1.769
!# peak 1817-----------------------------------------------
assi (attr store1 < 1.473 and attr store1 > 1.353)
    ((attr store1 < 0.381 and attr store1 > 0.321)
     and bondedto (attr store1 < 48.087 and attr store1 > 46.887))
6 6 0 peak 1817 volume 484649504 hpm1 47.487 ppm1 0.351 ppm2 1.413
!# peak 1818-----------------------------------------------
assi (attr store1 < 1.065 and attr store1 > 0.945)
    ((attr store1 < 0.378 and attr store1 > 0.318)
     and bondedto (attr store1 < 48.090 and attr store1 > 46.890))
6 6 0 peak 1818 volume 230129696 hpm1 47.490 ppm1 0.348 ppm2 1.005
!# peak 1825-----------------------------------------------
assi (attr store1 < 0.879 and attr store1 > 0.759)
    ((attr store1 < 0.380 and attr store1 > 0.320)
     and bondedto (attr store1 < 48.103 and attr store1 > 46.903))
6 6 0 peak 1825 volume 53168188 hpm1 47.503 ppm1 0.350 ppm2 0.819
!# peak 1831-----------------------------------------------
assi (attr store1 < -0.083 and attr store1 > -0.203)
    ((attr store1 < 0.386 and attr store1 > 0.326)
     and bondedto (attr store1 < 48.096 and attr store1 > 46.896))
6 6 0 peak 1831 volume 68179544 hpm1 47.496 ppm1 0.356 ppm2 -0.143
!# peak 1860-----------------------------------------------
assi (attr store1 < 4.232 and attr store1 > 4.112)
    ((attr store1 < 0.920 and attr store1 > 0.860)
     and bondedto (attr store1 < 47.907 and attr store1 > 46.707))
6 6 0 peak 1860 volume 237793296 hpm1 47.307 ppm1 0.890 ppm2 4.172
!# peak 1922-----------------------------------------------
assi (attr store1 < 8.386 and attr store1 > 8.266)
    ((attr store1 < 0.803 and attr store1 > 0.743)
     and bondedto (attr store1 < 47.319 and attr store1 > 46.119))
6 6 0 peak 1922 volume 24618680 hpm1 46.719 ppm1 0.773 ppm2 8.326
!# peak 1925-----------------------------------------------
assi (attr store1 < 8.076 and attr store1 > 7.956)
    ((attr store1 < 0.804 and attr store1 > 0.744)
     and bondedto (attr store1 < 47.318 and attr store1 > 46.118))
6 6 0 peak 1925 volume 232867296 hpm1 46.718 ppm1 0.774 ppm2 8.016
!# peak 1927-----------------------------------------------
assi (attr store1 < 7.797 and attr store1 > 7.677)
    ((attr store1 < 0.918 and attr store1 > 0.858)
     and bondedto (attr store1 < 47.314 and attr store1 > 46.114))
6 6 0 peak 1927 volume 58490480 hpm1 46.714 ppm1 0.888 ppm2 7.737
!# peak 1928-----------------------------------------------
assi (attr store1 < 7.517 and attr store1 > 7.397)
    ((attr store1 < 0.804 and attr store1 > 0.744)
     and bondedto (attr store1 < 47.319 and attr store1 > 46.119))
6 6 0 peak 1928 volume 90281304 hpm1 46.719 ppm1 0.774 ppm2 7.457
!# peak 1930-----------------------------------------------
assi (attr store1 < 6.655 and attr store1 > 6.535)
    ((attr store1 < 0.804 and attr store1 > 0.744)
     and bondedto (attr store1 < 47.322 and attr store1 > 46.122))
6 6 0 peak 1930 volume 87896416 hpm1 46.722 ppm1 0.774 ppm2 6.595
!# peak 1931-----------------------------------------------
assi (attr store1 < 5.643 and attr store1 > 5.523)
    ((attr store1 < -0.219 and attr store1 > -0.279)
     and bondedto (attr store1 < 47.313 and attr store1 > 46.113))
6 6 0 peak 1931 volume 144271408 hpm1 46.713 ppm1 -0.249 ppm2 5.583
!# peak 1933-----------------------------------------------
assi (attr store1 < 5.152 and attr store1 > 5.032)
    ((attr store1 < -0.218 and attr store1 > -0.278)
     and bondedto (attr store1 < 47.311 and attr store1 > 46.111))
6 6 0 peak 1933 volume 15654419 hpm1 46.711 ppm1 -0.248 ppm2 5.092
!# peak 1934-----------------------------------------------
assi (attr store1 < 4.791 and attr store1 > 4.671)
    ((attr store1 < -0.218 and attr store1 > -0.278)
     and bondedto (attr store1 < 47.314 and attr store1 > 46.114))
6 6 0 peak 1934 volume 111849200 hpm1 46.714 ppm1 -0.248 ppm2 4.731
!# peak 1936-----------------------------------------------
assi (attr store1 < 4.290 and attr store1 > 4.170)
    ((attr store1 < 0.803 and attr store1 > 0.743)
     and bondedto (attr store1 < 47.339 and attr store1 > 46.139))
6 6 0 peak 1936 volume 18450480 hpm1 46.739 ppm1 0.773 ppm2 4.230
!# peak 1937-----------------------------------------------
assi (attr store1 < 4.165 and attr store1 > 4.045)
    ((attr store1 < -0.222 and attr store1 > -0.282)
     and bondedto (attr store1 < 47.308 and attr store1 > 46.108))
6 6 0 peak 1937 volume 29021240 hpm1 46.708 ppm1 -0.252 ppm2 4.105
!# peak 1938-----------------------------------------------
assi (attr store1 < 4.065 and attr store1 > 3.945)
    ((attr store1 < 0.804 and attr store1 > 0.744)
     and bondedto (attr store1 < 47.314 and attr store1 > 46.114))
6 6 0 peak 1938 volume 526614016 hpm1 46.714 ppm1 0.774 ppm2 4.005
!# peak 1939-----------------------------------------------
assi (attr store1 < 3.793 and attr store1 > 3.673)
    ((attr store1 < 0.805 and attr store1 > 0.745)
     and bondedto (attr store1 < 47.308 and attr store1 > 46.108))
6 6 0 peak 1939 volume 25862810 hpm1 46.708 ppm1 0.775 ppm2 3.733
!# peak 1941-----------------------------------------------
assi (attr store1 < 3.468 and attr store1 > 3.348)
    ((attr store1 < -0.219 and attr store1 > -0.279)
     and bondedto (attr store1 < 47.315 and attr store1 > 46.115))
6 6 0 peak 1941 volume 87206384 hpm1 46.715 ppm1 -0.249 ppm2 3.408
!# peak 1944-----------------------------------------------
assi (attr store1 < 2.248 and attr store1 > 2.128)
    ((attr store1 < -0.220 and attr store1 > -0.280)
     and bondedto (attr store1 < 47.323 and attr store1 > 46.123))
6 6 0 peak 1944 volume 60638480 hpm1 46.723 ppm1 -0.250 ppm2 2.188
!# peak 1959-----------------------------------------------
assi (attr store1 < 8.102 and attr store1 > 7.982)
    ((attr store1 < 0.916 and attr store1 > 0.856)
     and bondedto (attr store1 < 47.175 and attr store1 > 45.975))
6 6 0 peak 1959 volume 66589672 hpm1 46.575 ppm1 0.886 ppm2 8.042
!# peak 1961-----------------------------------------------
assi (attr store1 < 7.938 and attr store1 > 7.818)
    ((attr store1 < 0.867 and attr store1 > 0.807)
     and bondedto (attr store1 < 47.125 and attr store1 > 45.925))
6 6 0 peak 1961 volume 159590304 hpm1 46.525 ppm1 0.837 ppm2 7.878
!# peak 1965-----------------------------------------------
assi (attr store1 < 7.159 and attr store1 > 7.039)
    ((attr store1 < 0.916 and attr store1 > 0.856)
     and bondedto (attr store1 < 47.181 and attr store1 > 45.981))
6 6 0 peak 1965 volume 180352192 hpm1 46.581 ppm1 0.886 ppm2 7.099
!# peak 1967-----------------------------------------------
assi (attr store1 < 6.914 and attr store1 > 6.794)
    ((attr store1 < 0.869 and attr store1 > 0.809)
     and bondedto (attr store1 < 47.138 and attr store1 > 45.938))
6 6 0 peak 1967 volume 190913104 hpm1 46.538 ppm1 0.839 ppm2 6.854
!# peak 1972-----------------------------------------------
assi (attr store1 < 4.784 and attr store1 > 4.664)
    ((attr store1 < 0.866 and attr store1 > 0.806)
     and bondedto (attr store1 < 47.134 and attr store1 > 45.934))
6 6 0 peak 1972 volume 406163008 hpm1 46.534 ppm1 0.836 ppm2 4.724
!# peak 1974-----------------------------------------------
assi (attr store1 < 3.972 and attr store1 > 3.852)
    ((attr store1 < 0.916 and attr store1 > 0.856)
     and bondedto (attr store1 < 47.182 and attr store1 > 45.982))
6 6 0 peak 1974 volume 753170624 hpm1 46.582 ppm1 0.886 ppm2 3.912
!# peak 1975-----------------------------------------------
assi (attr store1 < 3.283 and attr store1 > 3.163)
    ((attr store1 < 0.867 and attr store1 > 0.807)
     and bondedto (attr store1 < 47.137 and attr store1 > 45.937))
6 6 0 peak 1975 volume 191352096 hpm1 46.537 ppm1 0.837 ppm2 3.223
!# peak 1976-----------------------------------------------
assi (attr store1 < 3.072 and attr store1 > 2.952)
    ((attr store1 < 0.804 and attr store1 > 0.744)
     and bondedto (attr store1 < 47.180 and attr store1 > 45.980))
6 6 0 peak 1976 volume 86256840 hpm1 46.580 ppm1 0.774 ppm2 3.012
!# peak 1994-----------------------------------------------
assi (attr store1 < 0.465 and attr store1 > 0.345)
    ((attr store1 < 0.870 and attr store1 > 0.810)
     and bondedto (attr store1 < 47.137 and attr store1 > 45.937))
6 6 0 peak 1994 volume 484043904 hpm1 46.537 ppm1 0.840 ppm2 0.405
!# peak 1995-----------------------------------------------
assi (attr store1 < 0.247 and attr store1 > 0.127)
    ((attr store1 < 0.802 and attr store1 > 0.742)
     and bondedto (attr store1 < 47.168 and attr store1 > 45.968))
6 6 0 peak 1995 volume 144810304 hpm1 46.568 ppm1 0.772 ppm2 0.187
!# peak 2002-----------------------------------------------
assi (attr store1 < 7.924 and attr store1 > 7.804)
    ((attr store1 < 1.172 and attr store1 > 1.112)
     and bondedto (attr store1 < 46.943 and attr store1 > 45.743))
6 6 0 peak 2002 volume 270457504 hpm1 46.343 ppm1 1.142 ppm2 7.864
!# peak 2003-----------------------------------------------
assi (attr store1 < 7.662 and attr store1 > 7.542)
    ((attr store1 < 0.467 and attr store1 > 0.407)
     and bondedto (attr store1 < 46.992 and attr store1 > 45.792))
6 6 0 peak 2003 volume 48749160 hpm1 46.392 ppm1 0.437 ppm2 7.602
!# peak 2007-----------------------------------------------
assi (attr store1 < 4.788 and attr store1 > 4.668)
    ((attr store1 < 1.171 and attr store1 > 1.111)
     and bondedto (attr store1 < 46.946 and attr store1 > 45.746))
6 6 0 peak 2007 volume 285859104 hpm1 46.346 ppm1 1.141 ppm2 4.728
!# peak 2009-----------------------------------------------
assi (attr store1 < 4.344 and attr store1 > 4.224)
    ((attr store1 < 0.466 and attr store1 > 0.406)
     and bondedto (attr store1 < 46.996 and attr store1 > 45.796))
6 6 0 peak 2009 volume 549646080 hpm1 46.396 ppm1 0.436 ppm2 4.284
!# peak 2010-----------------------------------------------
assi (attr store1 < 3.603 and attr store1 > 3.483)
    ((attr store1 < 1.172 and attr store1 > 1.112)
     and bondedto (attr store1 < 46.946 and attr store1 > 45.746))
6 6 0 peak 2010 volume 310883200 hpm1 46.346 ppm1 1.142 ppm2 3.543
!# peak 2011-----------------------------------------------
assi (attr store1 < 3.331 and attr store1 > 3.211)
    ((attr store1 < 0.458 and attr store1 > 0.398)
     and bondedto (attr store1 < 46.950 and attr store1 > 45.750))
6 6 0 peak 2011 volume 41895740 hpm1 46.350 ppm1 0.428 ppm2 3.271
!# peak 2012-----------------------------------------------
assi (attr store1 < 3.104 and attr store1 > 2.984)
    ((attr store1 < 1.174 and attr store1 > 1.114)
     and bondedto (attr store1 < 46.951 and attr store1 > 45.751))
6 6 0 peak 2012 volume 41240672 hpm1 46.351 ppm1 1.144 ppm2 3.044
!# peak 2013-----------------------------------------------
assi (attr store1 < 2.878 and attr store1 > 2.758)
    ((attr store1 < 1.172 and attr store1 > 1.112)
     and bondedto (attr store1 < 46.955 and attr store1 > 45.755))
6 6 0 peak 2013 volume 176980000 hpm1 46.355 ppm1 1.142 ppm2 2.818
!# peak 2016-----------------------------------------------
assi (attr store1 < 1.930 and attr store1 > 1.810)
    ((attr store1 < 0.466 and attr store1 > 0.406)
     and bondedto (attr store1 < 46.990 and attr store1 > 45.790))
6 6 0 peak 2016 volume 251728000 hpm1 46.390 ppm1 0.436 ppm2 1.870
!# peak 2017-----------------------------------------------
assi (attr store1 < 1.832 and attr store1 > 1.712)
    ((attr store1 < 1.171 and attr store1 > 1.111)
     and bondedto (attr store1 < 46.949 and attr store1 > 45.749))
6 6 0 peak 2017 volume 41622340 hpm1 46.349 ppm1 1.141 ppm2 1.772
!# peak 2019-----------------------------------------------
assi (attr store1 < 1.510 and attr store1 > 1.390)
    ((attr store1 < 0.465 and attr store1 > 0.405)
     and bondedto (attr store1 < 46.981 and attr store1 > 45.781))
6 6 0 peak 2019 volume 1317304960 hpm1 46.381 ppm1 0.435 ppm2 1.450
!# peak 2021-----------------------------------------------
assi (attr store1 < 1.194 and attr store1 > 1.074)
    ((attr store1 < 0.466 and attr store1 > 0.406)
     and bondedto (attr store1 < 46.996 and attr store1 > 45.796))
6 6 0 peak 2021 volume 381724800 hpm1 46.396 ppm1 0.436 ppm2 1.134
!# peak 2026-----------------------------------------------
assi (attr store1 < 0.517 and attr store1 > 0.397)
    ((attr store1 < 1.171 and attr store1 > 1.111)
     and bondedto (attr store1 < 46.959 and attr store1 > 45.759))
6 6 0 peak 2026 volume 58353136 hpm1 46.359 ppm1 1.141 ppm2 0.457
!# peak 2027-----------------------------------------------
assi (attr store1 < 0.515 and attr store1 > 0.395)
    ((attr store1 < 0.756 and attr store1 > 0.696)
     and bondedto (attr store1 < 46.985 and attr store1 > 45.785))
6 6 0 peak 2027 volume 326401408 hpm1 46.385 ppm1 0.726 ppm2 0.455
!# peak 2030-----------------------------------------------
assi (attr store1 < 0.160 and attr store1 > 0.040)
    ((attr store1 < 0.466 and attr store1 > 0.406)
     and bondedto (attr store1 < 46.994 and attr store1 > 45.794))
6 6 0 peak 2030 volume 575153024 hpm1 46.394 ppm1 0.436 ppm2 0.100
!# peak 2037-----------------------------------------------
assi (attr store1 < 8.108 and attr store1 > 7.988)
    ((attr store1 < 0.435 and attr store1 > 0.375)
     and bondedto (attr store1 < 46.765 and attr store1 > 45.565))
6 6 0 peak 2037 volume 66860728 hpm1 46.165 ppm1 0.405 ppm2 8.048
!# peak 2038-----------------------------------------------
assi (attr store1 < 7.850 and attr store1 > 7.730)
    ((attr store1 < 0.434 and attr store1 > 0.374)
     and bondedto (attr store1 < 46.750 and attr store1 > 45.550))
6 6 0 peak 2038 volume 20953640 hpm1 46.150 ppm1 0.404 ppm2 7.790
!# peak 2039-----------------------------------------------
assi (attr store1 < 7.777 and attr store1 > 7.657)
    ((attr store1 < 0.800 and attr store1 > 0.740)
     and bondedto (attr store1 < 46.755 and attr store1 > 45.555))
6 6 0 peak 2039 volume 38448080 hpm1 46.155 ppm1 0.770 ppm2 7.717
!# peak 2040-----------------------------------------------
assi (attr store1 < 7.198 and attr store1 > 7.078)
    ((attr store1 < 0.438 and attr store1 > 0.378)
     and bondedto (attr store1 < 46.776 and attr store1 > 45.576))
6 6 0 peak 2040 volume 81275184 hpm1 46.176 ppm1 0.408 ppm2 7.138
!# peak 2044-----------------------------------------------
assi (attr store1 < 4.507 and attr store1 > 4.387)
    ((attr store1 < 0.801 and attr store1 > 0.741)
     and bondedto (attr store1 < 46.760 and attr store1 > 45.560))
6 6 0 peak 2044 volume 612851200 hpm1 46.160 ppm1 0.771 ppm2 4.447
!# peak 2047-----------------------------------------------
assi (attr store1 < 4.108 and attr store1 > 3.988)
    ((attr store1 < 0.437 and attr store1 > 0.377)
     and bondedto (attr store1 < 46.767 and attr store1 > 45.567))
6 6 0 peak 2047 volume 540552320 hpm1 46.167 ppm1 0.407 ppm2 4.048
!# peak 2048-----------------------------------------------
assi (attr store1 < 4.070 and attr store1 > 3.950)
    ((attr store1 < 1.173 and attr store1 > 1.113)
     and bondedto (attr store1 < 46.804 and attr store1 > 45.604))
6 6 0 peak 2048 volume 544526528 hpm1 46.204 ppm1 1.143 ppm2 4.010
!# peak 2059-----------------------------------------------
assi (attr store1 < 1.734 and attr store1 > 1.614)
    ((attr store1 < 0.439 and attr store1 > 0.379)
     and bondedto (attr store1 < 46.780 and attr store1 > 45.580))
6 6 0 peak 2059 volume 806143872 hpm1 46.180 ppm1 0.409 ppm2 1.674
!# peak 2072-----------------------------------------------
assi (attr store1 < 0.787 and attr store1 > 0.667)
    ((attr store1 < 0.439 and attr store1 > 0.379)
     and bondedto (attr store1 < 46.769 and attr store1 > 45.569))
6 6 0 peak 2072 volume 0.494312e+10 hpm1 46.169 ppm1 0.409 ppm2 0.727
!# peak 2079-----------------------------------------------
assi (attr store1 < 9.213 and attr store1 > 9.093)
    ((attr store1 < 1.282 and attr store1 > 1.222)
     and bondedto (attr store1 < 46.598 and attr store1 > 45.398))
6 6 0 peak 2079 volume 162232992 hpm1 45.998 ppm1 1.252 ppm2 9.153
!# peak 2080-----------------------------------------------
assi (attr store1 < 8.782 and attr store1 > 8.662)
    ((attr store1 < 1.282 and attr store1 > 1.222)
     and bondedto (attr store1 < 46.590 and attr store1 > 45.390))
6 6 0 peak 2080 volume 25709670 hpm1 45.990 ppm1 1.252 ppm2 8.722
!# peak 2081-----------------------------------------------
assi (attr store1 < 8.560 and attr store1 > 8.440)
    ((attr store1 < 1.009 and attr store1 > 0.949)
     and bondedto (attr store1 < 46.597 and attr store1 > 45.397))
6 6 0 peak 2081 volume 374957280 hpm1 45.997 ppm1 0.979 ppm2 8.500
!# peak 2084-----------------------------------------------
assi (attr store1 < 8.099 and attr store1 > 7.979)
    ((attr store1 < 1.008 and attr store1 > 0.948)
     and bondedto (attr store1 < 46.602 and attr store1 > 45.402))
6 6 0 peak 2084 volume 40203972 hpm1 46.002 ppm1 0.978 ppm2 8.039
!# peak 2085-----------------------------------------------
assi (attr store1 < 7.939 and attr store1 > 7.819)
    ((attr store1 < 1.007 and attr store1 > 0.947)
     and bondedto (attr store1 < 46.599 and attr store1 > 45.399))
6 6 0 peak 2085 volume 35835340 hpm1 45.999 ppm1 0.977 ppm2 7.879
!# peak 2086-----------------------------------------------
assi (attr store1 < 7.876 and attr store1 > 7.756)
    ((attr store1 < 1.283 and attr store1 > 1.223)
     and bondedto (attr store1 < 46.596 and attr store1 > 45.396))
6 6 0 peak 2086 volume 120966304 hpm1 45.996 ppm1 1.253 ppm2 7.816
!# peak 2087-----------------------------------------------
assi (attr store1 < 7.685 and attr store1 > 7.565)
    ((attr store1 < 1.281 and attr store1 > 1.221)
     and bondedto (attr store1 < 46.594 and attr store1 > 45.394))
6 6 0 peak 2087 volume 81819984 hpm1 45.994 ppm1 1.251 ppm2 7.625
!# peak 2088-----------------------------------------------
assi (attr store1 < 6.844 and attr store1 > 6.724)
    ((attr store1 < 1.008 and attr store1 > 0.948)
     and bondedto (attr store1 < 46.598 and attr store1 > 45.398))
6 6 0 peak 2088 volume 106133904 hpm1 45.998 ppm1 0.978 ppm2 6.784
!# peak 2096-----------------------------------------------
assi (attr store1 < 5.158 and attr store1 > 5.038)
    ((attr store1 < 1.277 and attr store1 > 1.217)
     and bondedto (attr store1 < 46.600 and attr store1 > 45.400))
6 6 0 peak 2096 volume 64766552 hpm1 46.000 ppm1 1.247 ppm2 5.098
!# peak 2098-----------------------------------------------
assi (attr store1 < 4.789 and attr store1 > 4.669)
    ((attr store1 < 1.283 and attr store1 > 1.223)
     and bondedto (attr store1 < 46.599 and attr store1 > 45.399))
6 6 0 peak 2098 volume 206214608 hpm1 45.999 ppm1 1.253 ppm2 4.729
!# peak 2100-----------------------------------------------
assi (attr store1 < 4.568 and attr store1 > 4.448)
    ((attr store1 < 1.283 and attr store1 > 1.223)
     and bondedto (attr store1 < 46.598 and attr store1 > 45.398))
6 6 0 peak 2100 volume 766519040 hpm1 45.998 ppm1 1.253 ppm2 4.508
!# peak 2101-----------------------------------------------
assi (attr store1 < 4.428 and attr store1 > 4.308)
    ((attr store1 < 1.285 and attr store1 > 1.225)
     and bondedto (attr store1 < 46.599 and attr store1 > 45.399))
6 6 0 peak 2101 volume 516124320 hpm1 45.999 ppm1 1.255 ppm2 4.368
!# peak 2109-----------------------------------------------
assi (attr store1 < 4.331 and attr store1 > 4.211)
    ((attr store1 < 1.216 and attr store1 > 1.156)
     and bondedto (attr store1 < 46.576 and attr store1 > 45.376))
6 6 0 peak 2109 volume 496121184 hpm1 45.976 ppm1 1.186 ppm2 4.271
!# peak 2110-----------------------------------------------
assi (attr store1 < 4.068 and attr store1 > 3.948)
    ((attr store1 < 1.006 and attr store1 > 0.946)
     and bondedto (attr store1 < 46.598 and attr store1 > 45.398))
6 6 0 peak 2110 volume 33268360 hpm1 45.998 ppm1 0.976 ppm2 4.008
!# peak 2111-----------------------------------------------
assi (attr store1 < 3.784 and attr store1 > 3.664)
    ((attr store1 < 1.009 and attr store1 > 0.949)
     and bondedto (attr store1 < 46.598 and attr store1 > 45.398))
6 6 0 peak 2111 volume 154477504 hpm1 45.998 ppm1 0.979 ppm2 3.724
!# peak 2114-----------------------------------------------
assi (attr store1 < 3.467 and attr store1 > 3.347)
    ((attr store1 < 1.282 and attr store1 > 1.222)
     and bondedto (attr store1 < 46.593 and attr store1 > 45.393))
6 6 0 peak 2114 volume 209292000 hpm1 45.993 ppm1 1.252 ppm2 3.407
!# peak 2115-----------------------------------------------
assi (attr store1 < 3.436 and attr store1 > 3.316)
    ((attr store1 < 1.008 and attr store1 > 0.948)
     and bondedto (attr store1 < 46.598 and attr store1 > 45.398))
6 6 0 peak 2115 volume 326212192 hpm1 45.998 ppm1 0.978 ppm2 3.376
!# peak 2117-----------------------------------------------
assi (attr store1 < 3.101 and attr store1 > 2.981)
    ((attr store1 < 1.283 and attr store1 > 1.223)
     and bondedto (attr store1 < 46.602 and attr store1 > 45.402))
6 6 0 peak 2117 volume 24448200 hpm1 46.002 ppm1 1.253 ppm2 3.041
!# peak 2118-----------------------------------------------
assi (attr store1 < 2.879 and attr store1 > 2.759)
    ((attr store1 < 0.801 and attr store1 > 0.741)
     and bondedto (attr store1 < 46.618 and attr store1 > 45.418))
6 6 0 peak 2118 volume 23464440 hpm1 46.018 ppm1 0.771 ppm2 2.819
!# peak 2119-----------------------------------------------
assi (attr store1 < 2.832 and attr store1 > 2.712)
    ((attr store1 < 1.285 and attr store1 > 1.225)
     and bondedto (attr store1 < 46.599 and attr store1 > 45.399))
6 6 0 peak 2119 volume 343969280 hpm1 45.999 ppm1 1.255 ppm2 2.772
!# peak 2126-----------------------------------------------
assi (attr store1 < 1.671 and attr store1 > 1.551)
    ((attr store1 < 1.006 and attr store1 > 0.946)
     and bondedto (attr store1 < 46.597 and attr store1 > 45.397))
6 6 0 peak 2126 volume 149949696 hpm1 45.997 ppm1 0.976 ppm2 1.611
!# peak 2131-----------------------------------------------
assi (attr store1 < 0.701 and attr store1 > 0.581)
    ((attr store1 < 1.008 and attr store1 > 0.948)
     and bondedto (attr store1 < 46.599 and attr store1 > 45.399))
6 6 0 peak 2131 volume 444233696 hpm1 45.999 ppm1 0.978 ppm2 0.641
!# peak 2132-----------------------------------------------
assi (attr store1 < 0.473 and attr store1 > 0.353)
    ((attr store1 < 1.006 and attr store1 > 0.946)
     and bondedto (attr store1 < 46.602 and attr store1 > 45.402))
6 6 0 peak 2132 volume 36469980 hpm1 46.002 ppm1 0.976 ppm2 0.413
!# peak 2133-----------------------------------------------
assi (attr store1 < 0.287 and attr store1 > 0.167)
    ((attr store1 < 1.007 and attr store1 > 0.947)
     and bondedto (attr store1 < 46.596 and attr store1 > 45.396))
6 6 0 peak 2133 volume 105073896 hpm1 45.996 ppm1 0.977 ppm2 0.227
!# peak 2138-----------------------------------------------
assi (attr store1 < 10.298 and attr store1 > 10.178)
    ((attr store1 < 0.524 and attr store1 > 0.464)
     and bondedto (attr store1 < 46.411 and attr store1 > 45.211))
6 6 0 peak 2138 volume 28822512 hpm1 45.811 ppm1 0.494 ppm2 10.238
!# peak 2141-----------------------------------------------
assi (attr store1 < 8.693 and attr store1 > 8.573)
    ((attr store1 < 0.525 and attr store1 > 0.465)
     and bondedto (attr store1 < 46.402 and attr store1 > 45.202))
6 6 0 peak 2141 volume 29362940 hpm1 45.802 ppm1 0.495 ppm2 8.633
!# peak 2143-----------------------------------------------
assi (attr store1 < 7.787 and attr store1 > 7.667)
    ((attr store1 < 3.958 and attr store1 > 3.898)
     and bondedto (attr store1 < 46.420 and attr store1 > 45.220))
6 6 0 peak 2143 volume 58270620 hpm1 45.820 ppm1 3.928 ppm2 7.727
!# peak 2144-----------------------------------------------
assi (attr store1 < 7.659 and attr store1 > 7.539)
    ((attr store1 < 0.525 and attr store1 > 0.465)
     and bondedto (attr store1 < 46.410 and attr store1 > 45.210))
6 6 0 peak 2144 volume 84686688 hpm1 45.810 ppm1 0.495 ppm2 7.599
!# peak 2145-----------------------------------------------
assi (attr store1 < 6.985 and attr store1 > 6.865)
    ((attr store1 < 0.529 and attr store1 > 0.469)
     and bondedto (attr store1 < 46.409 and attr store1 > 45.209))
6 6 0 peak 2145 volume 137604208 hpm1 45.809 ppm1 0.499 ppm2 6.925
!# peak 2153-----------------------------------------------
assi (attr store1 < 4.789 and attr store1 > 4.669)
    ((attr store1 < 3.959 and attr store1 > 3.899)
     and bondedto (attr store1 < 46.417 and attr store1 > 45.217))
6 6 0 peak 2153 volume 100472704 hpm1 45.817 ppm1 3.929 ppm2 4.729
!# peak 2154-----------------------------------------------
assi (attr store1 < 4.501 and attr store1 > 4.381)
    ((attr store1 < 3.959 and attr store1 > 3.899)
     and bondedto (attr store1 < 46.412 and attr store1 > 45.212))
6 6 0 peak 2154 volume 123790304 hpm1 45.812 ppm1 3.929 ppm2 4.441
!# peak 2155-----------------------------------------------
assi (attr store1 < 4.246 and attr store1 > 4.126)
    ((attr store1 < 0.525 and attr store1 > 0.465)
     and bondedto (attr store1 < 46.409 and attr store1 > 45.209))
6 6 0 peak 2155 volume 509196832 hpm1 45.809 ppm1 0.495 ppm2 4.186
!# peak 2161-----------------------------------------------
assi (attr store1 < 3.463 and attr store1 > 3.343)
    ((attr store1 < 0.523 and attr store1 > 0.463)
     and bondedto (attr store1 < 46.407 and attr store1 > 45.207))
6 6 0 peak 2161 volume 61503960 hpm1 45.807 ppm1 0.493 ppm2 3.403
!# peak 2166-----------------------------------------------
assi (attr store1 < 2.932 and attr store1 > 2.812)
    ((attr store1 < 0.526 and attr store1 > 0.466)
     and bondedto (attr store1 < 46.407 and attr store1 > 45.207))
6 6 0 peak 2166 volume 81475560 hpm1 45.807 ppm1 0.496 ppm2 2.872
!# peak 2168-----------------------------------------------
assi (attr store1 < 2.781 and attr store1 > 2.661)
    ((attr store1 < 0.525 and attr store1 > 0.465)
     and bondedto (attr store1 < 46.410 and attr store1 > 45.210))
6 6 0 peak 2168 volume 100705600 hpm1 45.810 ppm1 0.495 ppm2 2.721
!# peak 2169-----------------------------------------------
assi (attr store1 < 2.607 and attr store1 > 2.487)
    ((attr store1 < 0.524 and attr store1 > 0.464)
     and bondedto (attr store1 < 46.413 and attr store1 > 45.213))
6 6 0 peak 2169 volume 86837456 hpm1 45.813 ppm1 0.494 ppm2 2.547
!# peak 2171-----------------------------------------------
assi (attr store1 < 2.247 and attr store1 > 2.127)
    ((attr store1 < 0.524 and attr store1 > 0.464)
     and bondedto (attr store1 < 46.406 and attr store1 > 45.206))
6 6 0 peak 2171 volume 194034208 hpm1 45.806 ppm1 0.494 ppm2 2.187
!# peak 2173-----------------------------------------------
assi (attr store1 < 2.103 and attr store1 > 1.983)
    ((attr store1 < 0.525 and attr store1 > 0.465)
     and bondedto (attr store1 < 46.406 and attr store1 > 45.206))
6 6 0 peak 2173 volume 273952192 hpm1 45.806 ppm1 0.495 ppm2 2.043
!# peak 2179-----------------------------------------------
assi (attr store1 < 1.467 and attr store1 > 1.347)
    ((attr store1 < 0.526 and attr store1 > 0.466)
     and bondedto (attr store1 < 46.411 and attr store1 > 45.211))
6 6 0 peak 2179 volume 453337792 hpm1 45.811 ppm1 0.496 ppm2 1.407
!# peak 2180-----------------------------------------------
assi (attr store1 < 1.203 and attr store1 > 1.083)
    ((attr store1 < 3.961 and attr store1 > 3.901)
     and bondedto (attr store1 < 46.408 and attr store1 > 45.208))
6 6 0 peak 2180 volume 573105280 hpm1 45.808 ppm1 3.931 ppm2 1.143
!# peak 2181-----------------------------------------------
assi (attr store1 < 0.569 and attr store1 > 0.449)
    ((attr store1 < 1.412 and attr store1 > 1.352)
     and bondedto (attr store1 < 46.417 and attr store1 > 45.217))
6 6 0 peak 2181 volume 160075200 hpm1 45.817 ppm1 1.382 ppm2 0.509
!# peak 2190-----------------------------------------------
assi (attr store1 < 9.461 and attr store1 > 9.341)
    ((attr store1 < 1.413 and attr store1 > 1.353)
     and bondedto (attr store1 < 46.245 and attr store1 > 45.045))
6 6 0 peak 2190 volume 243315296 hpm1 45.645 ppm1 1.383 ppm2 9.401
!# peak 2193-----------------------------------------------
assi (attr store1 < 8.014 and attr store1 > 7.894)
    ((attr store1 < 0.872 and attr store1 > 0.812)
     and bondedto (attr store1 < 46.219 and attr store1 > 45.019))
6 6 0 peak 2193 volume 38289128 hpm1 45.619 ppm1 0.842 ppm2 7.954
!# peak 2194-----------------------------------------------
assi (attr store1 < 7.737 and attr store1 > 7.617)
    ((attr store1 < 0.870 and attr store1 > 0.810)
     and bondedto (attr store1 < 46.210 and attr store1 > 45.010))
6 6 0 peak 2194 volume 110750600 hpm1 45.610 ppm1 0.840 ppm2 7.677
!# peak 2195-----------------------------------------------
assi (attr store1 < 7.640 and attr store1 > 7.520)
    ((attr store1 < 1.415 and attr store1 > 1.355)
     and bondedto (attr store1 < 46.242 and attr store1 > 45.042))
6 6 0 peak 2195 volume 15493080 hpm1 45.642 ppm1 1.385 ppm2 7.580
!# peak 2196-----------------------------------------------
assi (attr store1 < 7.018 and attr store1 > 6.898)
    ((attr store1 < 0.871 and attr store1 > 0.811)
     and bondedto (attr store1 < 46.204 and attr store1 > 45.004))
6 6 0 peak 2196 volume 32167840 hpm1 45.604 ppm1 0.841 ppm2 6.958
!# peak 2203-----------------------------------------------
assi (attr store1 < 4.792 and attr store1 > 4.672)
    ((attr store1 < 1.413 and attr store1 > 1.353)
     and bondedto (attr store1 < 46.245 and attr store1 > 45.045))
6 6 0 peak 2203 volume 948613376 hpm1 45.645 ppm1 1.383 ppm2 4.732
!# peak 2204-----------------------------------------------
assi (attr store1 < 4.482 and attr store1 > 4.362)
    ((attr store1 < 1.413 and attr store1 > 1.353)
     and bondedto (attr store1 < 46.241 and attr store1 > 45.041))
6 6 0 peak 2204 volume 79032280 hpm1 45.641 ppm1 1.383 ppm2 4.422
!# peak 2205-----------------------------------------------
assi (attr store1 < 4.242 and attr store1 > 4.122)
    ((attr store1 < 0.869 and attr store1 > 0.809)
     and bondedto (attr store1 < 46.208 and attr store1 > 45.008))
6 6 0 peak 2205 volume 670569600 hpm1 45.608 ppm1 0.839 ppm2 4.182
!# peak 2208-----------------------------------------------
assi (attr store1 < 3.294 and attr store1 > 3.174)
    ((attr store1 < 0.870 and attr store1 > 0.810)
     and bondedto (attr store1 < 46.210 and attr store1 > 45.010))
6 6 0 peak 2208 volume 39506000 hpm1 45.610 ppm1 0.840 ppm2 3.234
!# peak 2209-----------------------------------------------
assi (attr store1 < 3.055 and attr store1 > 2.935)
    ((attr store1 < 1.414 and attr store1 > 1.354)
     and bondedto (attr store1 < 46.235 and attr store1 > 45.035))
6 6 0 peak 2209 volume 27891218 hpm1 45.635 ppm1 1.384 ppm2 2.995
!# peak 2211-----------------------------------------------
assi (attr store1 < 2.567 and attr store1 > 2.447)
    ((attr store1 < 1.415 and attr store1 > 1.355)
     and bondedto (attr store1 < 46.230 and attr store1 > 45.030))
6 6 0 peak 2211 volume 27172368 hpm1 45.630 ppm1 1.385 ppm2 2.507
!# peak 2212-----------------------------------------------
assi (attr store1 < 1.924 and attr store1 > 1.804)
    ((attr store1 < 0.869 and attr store1 > 0.809)
     and bondedto (attr store1 < 46.208 and attr store1 > 45.008))
6 6 0 peak 2212 volume 491244288 hpm1 45.608 ppm1 0.839 ppm2 1.864
!# peak 2213-----------------------------------------------
assi (attr store1 < 1.748 and attr store1 > 1.628)
    ((attr store1 < 0.869 and attr store1 > 0.809)
     and bondedto (attr store1 < 46.208 and attr store1 > 45.008))
6 6 0 peak 2213 volume 713393600 hpm1 45.608 ppm1 0.839 ppm2 1.688
!# peak 2214-----------------------------------------------
assi (attr store1 < 1.514 and attr store1 > 1.394)
    ((attr store1 < 0.869 and attr store1 > 0.809)
     and bondedto (attr store1 < 46.207 and attr store1 > 45.007))
6 6 0 peak 2214 volume 360091008 hpm1 45.607 ppm1 0.839 ppm2 1.454
!# peak 2223-----------------------------------------------
assi (attr store1 < 1.237 and attr store1 > 1.117)
    ((attr store1 < 0.870 and attr store1 > 0.810)
     and bondedto (attr store1 < 46.210 and attr store1 > 45.010))
6 6 0 peak 2223 volume 533518016 hpm1 45.610 ppm1 0.840 ppm2 1.177
!# peak 2228-----------------------------------------------
assi (attr store1 < 0.522 and attr store1 > 0.402)
    ((attr store1 < 0.868 and attr store1 > 0.808)
     and bondedto (attr store1 < 46.219 and attr store1 > 45.019))
6 6 0 peak 2228 volume 99099080 hpm1 45.619 ppm1 0.838 ppm2 0.462
!# peak 2230-----------------------------------------------
assi (attr store1 < 0.151 and attr store1 > 0.031)
    ((attr store1 < 0.869 and attr store1 > 0.809)
     and bondedto (attr store1 < 46.207 and attr store1 > 45.007))
6 6 0 peak 2230 volume 26528438 hpm1 45.607 ppm1 0.839 ppm2 0.091
!# peak 2273-----------------------------------------------
assi (attr store1 < 8.735 and attr store1 > 8.615)
    ((attr store1 < 1.305 and attr store1 > 1.245)
     and bondedto (attr store1 < 45.874 and attr store1 > 44.674))
6 6 0 peak 2273 volume 46427220 hpm1 45.274 ppm1 1.275 ppm2 8.675
!# peak 2277-----------------------------------------------
assi (attr store1 < 8.155 and attr store1 > 8.035)
    ((attr store1 < 1.304 and attr store1 > 1.244)
     and bondedto (attr store1 < 45.860 and attr store1 > 44.660))
6 6 0 peak 2277 volume 51357596 hpm1 45.260 ppm1 1.274 ppm2 8.095
!# peak 2278-----------------------------------------------
assi (attr store1 < 7.884 and attr store1 > 7.764)
    ((attr store1 < 1.304 and attr store1 > 1.244)
     and bondedto (attr store1 < 45.868 and attr store1 > 44.668))
6 6 0 peak 2278 volume 113885096 hpm1 45.268 ppm1 1.274 ppm2 7.824
!# peak 2279-----------------------------------------------
assi (attr store1 < 7.650 and attr store1 > 7.530)
    ((attr store1 < 1.305 and attr store1 > 1.245)
     and bondedto (attr store1 < 45.873 and attr store1 > 44.673))
6 6 0 peak 2279 volume 107950600 hpm1 45.273 ppm1 1.275 ppm2 7.590
!# peak 2283-----------------------------------------------
assi (attr store1 < 7.232 and attr store1 > 7.112)
    ((attr store1 < 1.305 and attr store1 > 1.245)
     and bondedto (attr store1 < 45.870 and attr store1 > 44.670))
6 6 0 peak 2283 volume 122883000 hpm1 45.270 ppm1 1.275 ppm2 7.172
!# peak 2284-----------------------------------------------
assi (attr store1 < 7.054 and attr store1 > 6.934)
    ((attr store1 < 1.305 and attr store1 > 1.245)
     and bondedto (attr store1 < 45.876 and attr store1 > 44.676))
6 6 0 peak 2284 volume 49672772 hpm1 45.276 ppm1 1.275 ppm2 6.994
!# peak 2292-----------------------------------------------
assi (attr store1 < 3.889 and attr store1 > 3.769)
    ((attr store1 < 1.304 and attr store1 > 1.244)
     and bondedto (attr store1 < 45.867 and attr store1 > 44.667))
6 6 0 peak 2292 volume 268276688 hpm1 45.267 ppm1 1.274 ppm2 3.829
!# peak 2293-----------------------------------------------
assi (attr store1 < 3.429 and attr store1 > 3.309)
    ((attr store1 < 1.304 and attr store1 > 1.244)
     and bondedto (attr store1 < 45.868 and attr store1 > 44.668))
6 6 0 peak 2293 volume 256275808 hpm1 45.268 ppm1 1.274 ppm2 3.369
!# peak 2294-----------------------------------------------
assi (attr store1 < 2.981 and attr store1 > 2.861)
    ((attr store1 < 1.303 and attr store1 > 1.243)
     and bondedto (attr store1 < 45.868 and attr store1 > 44.668))
6 6 0 peak 2294 volume 54507916 hpm1 45.268 ppm1 1.273 ppm2 2.921
!# peak 2295-----------------------------------------------
assi (attr store1 < 2.653 and attr store1 > 2.533)
    ((attr store1 < 1.304 and attr store1 > 1.244)
     and bondedto (attr store1 < 45.866 and attr store1 > 44.666))
6 6 0 peak 2295 volume 446395904 hpm1 45.266 ppm1 1.274 ppm2 2.593
!# peak 2297-----------------------------------------------
assi (attr store1 < 2.291 and attr store1 > 2.171)
    ((attr store1 < 1.306 and attr store1 > 1.246)
     and bondedto (attr store1 < 45.865 and attr store1 > 44.665))
6 6 0 peak 2297 volume 102126304 hpm1 45.265 ppm1 1.276 ppm2 2.231
!# peak 2300-----------------------------------------------
assi (attr store1 < 2.065 and attr store1 > 1.945)
    ((attr store1 < 1.304 and attr store1 > 1.244)
     and bondedto (attr store1 < 45.868 and attr store1 > 44.668))
6 6 0 peak 2300 volume 60223876 hpm1 45.268 ppm1 1.274 ppm2 2.005
!# peak 2301-----------------------------------------------
assi (attr store1 < 1.832 and attr store1 > 1.712)
    ((attr store1 < 1.304 and attr store1 > 1.244)
     and bondedto (attr store1 < 45.867 and attr store1 > 44.667))
6 6 0 peak 2301 volume 146514208 hpm1 45.267 ppm1 1.274 ppm2 1.772
!# peak 2305-----------------------------------------------
assi (attr store1 < 1.068 and attr store1 > 0.948)
    ((attr store1 < 1.304 and attr store1 > 1.244)
     and bondedto (attr store1 < 45.855 and attr store1 > 44.655))
6 6 0 peak 2305 volume 0.4276629e+10 hpm1 45.255 ppm1 1.274 ppm2 1.008
!# peak 2306-----------------------------------------------
assi (attr store1 < 0.791 and attr store1 > 0.671)
    ((attr store1 < 1.304 and attr store1 > 1.244)
     and bondedto (attr store1 < 45.843 and attr store1 > 44.643))
6 6 0 peak 2306 volume 139377408 hpm1 45.243 ppm1 1.274 ppm2 0.731
!# peak 2307-----------------------------------------------
assi (attr store1 < 0.609 and attr store1 > 0.489)
    ((attr store1 < 1.302 and attr store1 > 1.242)
     and bondedto (attr store1 < 45.848 and attr store1 > 44.648))
6 6 0 peak 2307 volume 33720248 hpm1 45.248 ppm1 1.272 ppm2 0.549
!# peak 2308-----------------------------------------------
assi (attr store1 < 0.336 and attr store1 > 0.216)
    ((attr store1 < 1.306 and attr store1 > 1.246)
     and bondedto (attr store1 < 45.866 and attr store1 > 44.666))
6 6 0 peak 2308 volume 377448992 hpm1 45.266 ppm1 1.276 ppm2 0.276
!# peak 2321-----------------------------------------------
assi (attr store1 < 4.506 and attr store1 > 4.386)
    ((attr store1 < 1.159 and attr store1 > 1.099)
     and bondedto (attr store1 < 45.680 and attr store1 > 44.480))
6 6 0 peak 2321 volume 176150896 hpm1 45.080 ppm1 1.129 ppm2 4.446
!# peak 2322-----------------------------------------------
assi (attr store1 < 4.017 and attr store1 > 3.897)
    ((attr store1 < 1.161 and attr store1 > 1.101)
     and bondedto (attr store1 < 45.669 and attr store1 > 44.469))
6 6 0 peak 2322 volume 339211488 hpm1 45.069 ppm1 1.131 ppm2 3.957
!# peak 2324-----------------------------------------------
assi (attr store1 < 3.700 and attr store1 > 3.580)
    ((attr store1 < 1.158 and attr store1 > 1.098)
     and bondedto (attr store1 < 45.669 and attr store1 > 44.469))
6 6 0 peak 2324 volume 77377848 hpm1 45.069 ppm1 1.128 ppm2 3.640
!# peak 2337-----------------------------------------------
assi (attr store1 < 9.005 and attr store1 > 8.885)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 45.472 and attr store1 > 44.272))
6 6 0 peak 2337 volume 39738100 hpm1 44.872 ppm1 0.618 ppm2 8.945
!# peak 2338-----------------------------------------------
assi (attr store1 < 8.510 and attr store1 > 8.390)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 45.478 and attr store1 > 44.278))
6 6 0 peak 2338 volume 28417670 hpm1 44.878 ppm1 0.618 ppm2 8.450
!# peak 2339-----------------------------------------------
assi (attr store1 < 8.383 and attr store1 > 8.263)
    ((attr store1 < 0.808 and attr store1 > 0.748)
     and bondedto (attr store1 < 45.472 and attr store1 > 44.272))
6 6 0 peak 2339 volume 39949952 hpm1 44.872 ppm1 0.778 ppm2 8.323
!# peak 2340-----------------------------------------------
assi (attr store1 < 8.383 and attr store1 > 8.263)
    ((attr store1 < 0.732 and attr store1 > 0.672)
     and bondedto (attr store1 < 45.478 and attr store1 > 44.278))
6 6 0 peak 2340 volume 32321780 hpm1 44.878 ppm1 0.702 ppm2 8.323
!# peak 2341-----------------------------------------------
assi (attr store1 < 8.071 and attr store1 > 7.951)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 45.483 and attr store1 > 44.283))
6 6 0 peak 2341 volume 58268584 hpm1 44.883 ppm1 0.618 ppm2 8.011
!# peak 2342-----------------------------------------------
assi (attr store1 < 7.934 and attr store1 > 7.814)
    ((attr store1 < 4.007 and attr store1 > 3.947)
     and bondedto (attr store1 < 45.477 and attr store1 > 44.277))
6 6 0 peak 2342 volume 54080732 hpm1 44.877 ppm1 3.977 ppm2 7.874
!# peak 2343-----------------------------------------------
assi (attr store1 < 7.924 and attr store1 > 7.804)
    ((attr store1 < 0.822 and attr store1 > 0.762)
     and bondedto (attr store1 < 45.475 and attr store1 > 44.275))
6 6 0 peak 2343 volume 20736810 hpm1 44.875 ppm1 0.792 ppm2 7.864
!# peak 2346-----------------------------------------------
assi (attr store1 < 7.249 and attr store1 > 7.129)
    ((attr store1 < 0.807 and attr store1 > 0.747)
     and bondedto (attr store1 < 45.459 and attr store1 > 44.259))
6 6 0 peak 2346 volume 27654778 hpm1 44.859 ppm1 0.777 ppm2 7.189
!# peak 2347-----------------------------------------------
assi (attr store1 < 7.243 and attr store1 > 7.123)
    ((attr store1 < 0.728 and attr store1 > 0.668)
     and bondedto (attr store1 < 45.473 and attr store1 > 44.273))
6 6 0 peak 2347 volume 20267000 hpm1 44.873 ppm1 0.698 ppm2 7.183
!# peak 2348-----------------------------------------------
assi (attr store1 < 7.230 and attr store1 > 7.110)
    ((attr store1 < 0.649 and attr store1 > 0.589)
     and bondedto (attr store1 < 45.478 and attr store1 > 44.278))
6 6 0 peak 2348 volume 26507730 hpm1 44.878 ppm1 0.619 ppm2 7.170
!# peak 2349-----------------------------------------------
assi (attr store1 < 7.052 and attr store1 > 6.932)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 45.482 and attr store1 > 44.282))
6 6 0 peak 2349 volume 156530688 hpm1 44.882 ppm1 0.618 ppm2 6.992
!# peak 2354-----------------------------------------------
assi (attr store1 < 4.789 and attr store1 > 4.669)
    ((attr store1 < 4.013 and attr store1 > 3.953)
     and bondedto (attr store1 < 45.468 and attr store1 > 44.268))
6 6 0 peak 2354 volume 93418256 hpm1 44.868 ppm1 3.983 ppm2 4.729
!# peak 2355-----------------------------------------------
assi (attr store1 < 4.786 and attr store1 > 4.666)
    ((attr store1 < 0.645 and attr store1 > 0.585)
     and bondedto (attr store1 < 45.482 and attr store1 > 44.282))
6 6 0 peak 2355 volume 31455860 hpm1 44.882 ppm1 0.615 ppm2 4.726
!# peak 2361-----------------------------------------------
assi (attr store1 < 4.334 and attr store1 > 4.214)
    ((attr store1 < 0.731 and attr store1 > 0.671)
     and bondedto (attr store1 < 45.482 and attr store1 > 44.282))
6 6 0 peak 2361 volume 71199384 hpm1 44.882 ppm1 0.701 ppm2 4.274
!# peak 2366-----------------------------------------------
assi (attr store1 < 4.287 and attr store1 > 4.167)
    ((attr store1 < 0.650 and attr store1 > 0.590)
     and bondedto (attr store1 < 45.476 and attr store1 > 44.276))
6 6 0 peak 2366 volume 29404340 hpm1 44.876 ppm1 0.620 ppm2 4.227
!# peak 2367-----------------------------------------------
assi (attr store1 < 4.112 and attr store1 > 3.992)
    ((attr store1 < 0.730 and attr store1 > 0.670)
     and bondedto (attr store1 < 45.477 and attr store1 > 44.277))
6 6 0 peak 2367 volume 208590112 hpm1 44.877 ppm1 0.700 ppm2 4.052
!# peak 2371-----------------------------------------------
assi (attr store1 < 4.063 and attr store1 > 3.943)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 45.478 and attr store1 > 44.278))
6 6 0 peak 2371 volume 226051488 hpm1 44.878 ppm1 0.618 ppm2 4.003
!# peak 2374-----------------------------------------------
assi (attr store1 < 3.785 and attr store1 > 3.665)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 45.476 and attr store1 > 44.276))
6 6 0 peak 2374 volume 83470648 hpm1 44.876 ppm1 0.618 ppm2 3.725
!# peak 2375-----------------------------------------------
assi (attr store1 < 3.707 and attr store1 > 3.587)
    ((attr store1 < 0.806 and attr store1 > 0.746)
     and bondedto (attr store1 < 45.452 and attr store1 > 44.252))
6 6 0 peak 2375 volume 27595698 hpm1 44.852 ppm1 0.776 ppm2 3.647
!# peak 2376-----------------------------------------------
assi (attr store1 < 3.703 and attr store1 > 3.583)
    ((attr store1 < 0.733 and attr store1 > 0.673)
     and bondedto (attr store1 < 45.473 and attr store1 > 44.273))
6 6 0 peak 2376 volume 26398900 hpm1 44.873 ppm1 0.703 ppm2 3.643
!# peak 2378-----------------------------------------------
assi (attr store1 < 3.604 and attr store1 > 3.484)
    ((attr store1 < 4.013 and attr store1 > 3.953)
     and bondedto (attr store1 < 45.477 and attr store1 > 44.277))
6 6 0 peak 2378 volume 394139712 hpm1 44.877 ppm1 3.983 ppm2 3.544
!# peak 2380-----------------------------------------------
assi (attr store1 < 3.332 and attr store1 > 3.212)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 45.479 and attr store1 > 44.279))
6 6 0 peak 2380 volume 34837232 hpm1 44.879 ppm1 0.618 ppm2 3.272
!# peak 2381-----------------------------------------------
assi (attr store1 < 3.286 and attr store1 > 3.166)
    ((attr store1 < 0.808 and attr store1 > 0.748)
     and bondedto (attr store1 < 45.467 and attr store1 > 44.267))
6 6 0 peak 2381 volume 83141808 hpm1 44.867 ppm1 0.778 ppm2 3.226
!# peak 2382-----------------------------------------------
assi (attr store1 < 3.284 and attr store1 > 3.164)
    ((attr store1 < 0.731 and attr store1 > 0.671)
     and bondedto (attr store1 < 45.477 and attr store1 > 44.277))
6 6 0 peak 2382 volume 51133652 hpm1 44.877 ppm1 0.701 ppm2 3.224
!# peak 2388-----------------------------------------------
assi (attr store1 < 2.019 and attr store1 > 1.899)
    ((attr store1 < 4.013 and attr store1 > 3.953)
     and bondedto (attr store1 < 45.457 and attr store1 > 44.257))
6 6 0 peak 2388 volume 50008632 hpm1 44.857 ppm1 3.983 ppm2 1.959
!# peak 2389-----------------------------------------------
assi (attr store1 < 2.027 and attr store1 > 1.907)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 45.478 and attr store1 > 44.278))
6 6 0 peak 2389 volume 689957184 hpm1 44.878 ppm1 0.618 ppm2 1.967
!# peak 2391-----------------------------------------------
assi (attr store1 < 1.841 and attr store1 > 1.721)
    ((attr store1 < 0.807 and attr store1 > 0.747)
     and bondedto (attr store1 < 45.463 and attr store1 > 44.263))
6 6 0 peak 2391 volume 464747392 hpm1 44.863 ppm1 0.777 ppm2 1.781
!# peak 2392-----------------------------------------------
assi (attr store1 < 1.842 and attr store1 > 1.722)
    ((attr store1 < 0.731 and attr store1 > 0.671)
     and bondedto (attr store1 < 45.476 and attr store1 > 44.276))
6 6 0 peak 2392 volume 941113088 hpm1 44.876 ppm1 0.701 ppm2 1.782
!# peak 2393-----------------------------------------------
assi (attr store1 < 1.796 and attr store1 > 1.676)
    ((attr store1 < 4.012 and attr store1 > 3.952)
     and bondedto (attr store1 < 45.485 and attr store1 > 44.285))
6 6 0 peak 2393 volume 35742960 hpm1 44.885 ppm1 3.982 ppm2 1.736
!# peak 2395-----------------------------------------------
assi (attr store1 < 1.708 and attr store1 > 1.588)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 45.476 and attr store1 > 44.276))
6 6 0 peak 2395 volume 220924608 hpm1 44.876 ppm1 0.618 ppm2 1.648
!# peak 2399-----------------------------------------------
assi (attr store1 < 1.521 and attr store1 > 1.401)
    ((attr store1 < 4.010 and attr store1 > 3.950)
     and bondedto (attr store1 < 45.479 and attr store1 > 44.279))
6 6 0 peak 2399 volume 214461504 hpm1 44.879 ppm1 3.980 ppm2 1.461
!# peak 2401-----------------------------------------------
assi (attr store1 < 1.332 and attr store1 > 1.212)
    ((attr store1 < 0.647 and attr store1 > 0.587)
     and bondedto (attr store1 < 45.463 and attr store1 > 44.263))
6 6 0 peak 2401 volume 95344280 hpm1 44.863 ppm1 0.617 ppm2 1.272
!# peak 2402-----------------------------------------------
assi (attr store1 < 1.234 and attr store1 > 1.114)
    ((attr store1 < 4.013 and attr store1 > 3.953)
     and bondedto (attr store1 < 45.470 and attr store1 > 44.270))
6 6 0 peak 2402 volume 887675584 hpm1 44.870 ppm1 3.983 ppm2 1.174
!# peak 2403-----------------------------------------------
assi (attr store1 < 1.056 and attr store1 > 0.936)
    ((attr store1 < 0.649 and attr store1 > 0.589)
     and bondedto (attr store1 < 45.481 and attr store1 > 44.281))
6 6 0 peak 2403 volume 415961600 hpm1 44.881 ppm1 0.619 ppm2 0.996
!# peak 2405-----------------------------------------------
assi (attr store1 < 0.871 and attr store1 > 0.751)
    ((attr store1 < 4.012 and attr store1 > 3.952)
     and bondedto (attr store1 < 45.466 and attr store1 > 44.266))
6 6 0 peak 2405 volume 29776060 hpm1 44.866 ppm1 3.982 ppm2 0.811
!# peak 2422-----------------------------------------------
assi (attr store1 < 0.250 and attr store1 > 0.130)
    ((attr store1 < 0.647 and attr store1 > 0.587)
     and bondedto (attr store1 < 45.478 and attr store1 > 44.278))
6 6 0 peak 2422 volume 224048496 hpm1 44.878 ppm1 0.617 ppm2 0.190
!# peak 2430-----------------------------------------------
assi (attr store1 < 8.560 and attr store1 > 8.440)
    ((attr store1 < 0.983 and attr store1 > 0.923)
     and bondedto (attr store1 < 45.287 and attr store1 > 44.087))
6 6 0 peak 2430 volume 142956896 hpm1 44.687 ppm1 0.953 ppm2 8.500
!# peak 2434-----------------------------------------------
assi (attr store1 < 7.963 and attr store1 > 7.843)
    ((attr store1 < 0.981 and attr store1 > 0.921)
     and bondedto (attr store1 < 45.291 and attr store1 > 44.091))
6 6 0 peak 2434 volume 62109528 hpm1 44.691 ppm1 0.951 ppm2 7.903
!# peak 2435-----------------------------------------------
assi (attr store1 < 6.845 and attr store1 > 6.725)
    ((attr store1 < 0.983 and attr store1 > 0.923)
     and bondedto (attr store1 < 45.293 and attr store1 > 44.093))
6 6 0 peak 2435 volume 64520120 hpm1 44.693 ppm1 0.953 ppm2 6.785
!# peak 2441-----------------------------------------------
assi (attr store1 < 4.561 and attr store1 > 4.441)
    ((attr store1 < 0.981 and attr store1 > 0.921)
     and bondedto (attr store1 < 45.294 and attr store1 > 44.094))
6 6 0 peak 2441 volume 29701790 hpm1 44.694 ppm1 0.951 ppm2 4.501
!# peak 2442-----------------------------------------------
assi (attr store1 < 4.064 and attr store1 > 3.944)
    ((attr store1 < 0.982 and attr store1 > 0.922)
     and bondedto (attr store1 < 45.291 and attr store1 > 44.091))
6 6 0 peak 2442 volume 62569524 hpm1 44.691 ppm1 0.952 ppm2 4.004
!# peak 2443-----------------------------------------------
assi (attr store1 < 3.790 and attr store1 > 3.670)
    ((attr store1 < 0.979 and attr store1 > 0.919)
     and bondedto (attr store1 < 45.287 and attr store1 > 44.087))
6 6 0 peak 2443 volume 44936912 hpm1 44.687 ppm1 0.949 ppm2 3.730
!# peak 2445-----------------------------------------------
assi (attr store1 < 3.458 and attr store1 > 3.338)
    ((attr store1 < 0.982 and attr store1 > 0.922)
     and bondedto (attr store1 < 45.290 and attr store1 > 44.090))
6 6 0 peak 2445 volume 269568096 hpm1 44.690 ppm1 0.952 ppm2 3.398
!# peak 2448-----------------------------------------------
assi (attr store1 < 2.202 and attr store1 > 2.082)
    ((attr store1 < 0.985 and attr store1 > 0.925)
     and bondedto (attr store1 < 45.289 and attr store1 > 44.089))
6 6 0 peak 2448 volume 601884160 hpm1 44.689 ppm1 0.955 ppm2 2.142
!# peak 2450-----------------------------------------------
assi (attr store1 < 1.832 and attr store1 > 1.712)
    ((attr store1 < 0.985 and attr store1 > 0.925)
     and bondedto (attr store1 < 45.291 and attr store1 > 44.091))
6 6 0 peak 2450 volume 163380704 hpm1 44.691 ppm1 0.955 ppm2 1.772
!# peak 2451-----------------------------------------------
assi (attr store1 < 1.417 and attr store1 > 1.297)
    ((attr store1 < 0.979 and attr store1 > 0.919)
     and bondedto (attr store1 < 45.293 and attr store1 > 44.093))
6 6 0 peak 2451 volume 105637000 hpm1 44.693 ppm1 0.949 ppm2 1.357
!# peak 2458-----------------------------------------------
assi (attr store1 < 0.705 and attr store1 > 0.585)
    ((attr store1 < 0.981 and attr store1 > 0.921)
     and bondedto (attr store1 < 45.303 and attr store1 > 44.103))
6 6 0 peak 2458 volume 422153408 hpm1 44.703 ppm1 0.951 ppm2 0.645
!# peak 2460-----------------------------------------------
assi (attr store1 < 0.462 and attr store1 > 0.342)
    ((attr store1 < 0.976 and attr store1 > 0.916)
     and bondedto (attr store1 < 45.28 and attr store1 > 44.08))
6 6 0 peak 2460 volume 31355370 hpm1 44.68 ppm1 0.946 ppm2 0.402
!# peak 2461-----------------------------------------------
assi (attr store1 < 0.286 and attr store1 > 0.166)
    ((attr store1 < 0.979 and attr store1 > 0.919)
     and bondedto (attr store1 < 45.290 and attr store1 > 44.090))
6 6 0 peak 2461 volume 39679692 hpm1 44.690 ppm1 0.949 ppm2 0.226
!# peak 2530-----------------------------------------------
assi (attr store1 < 1.597 and attr store1 > 1.477)
    ((attr store1 < 1.395 and attr store1 > 1.335)
     and bondedto (attr store1 < 44.728 and attr store1 > 43.528))
6 6 0 peak 2530 volume 1244313984 hpm1 44.128 ppm1 1.365 ppm2 1.537
!# peak 2559-----------------------------------------------
assi (attr store1 < 9.080 and attr store1 > 8.960)
    ((attr store1 < 2.031 and attr store1 > 1.971)
     and bondedto (attr store1 < 44.337 and attr store1 > 43.137))
6 6 0 peak 2559 volume 221924704 hpm1 43.737 ppm1 2.001 ppm2 9.020
!# peak 2560-----------------------------------------------
assi (attr store1 < 9.080 and attr store1 > 8.960)
    ((attr store1 < 1.762 and attr store1 > 1.702)
     and bondedto (attr store1 < 44.339 and attr store1 > 43.139))
6 6 0 peak 2560 volume 202617008 hpm1 43.739 ppm1 1.732 ppm2 9.020
!# peak 2562-----------------------------------------------
assi (attr store1 < 8.254 and attr store1 > 8.134)
    ((attr store1 < 1.623 and attr store1 > 1.563)
     and bondedto (attr store1 < 44.347 and attr store1 > 43.147))
6 6 0 peak 2562 volume 2479879 hpm1 43.747 ppm1 1.593 ppm2 8.194
!# peak 2563-----------------------------------------------
assi (attr store1 < 8.260 and attr store1 > 8.140)
    ((attr store1 < 1.104 and attr store1 > 1.044)
     and bondedto (attr store1 < 44.340 and attr store1 > 43.140))
6 6 0 peak 2563 volume 21746290 hpm1 43.740 ppm1 1.074 ppm2 8.200
!# peak 2566-----------------------------------------------
assi (attr store1 < 8.053 and attr store1 > 7.933)
    ((attr store1 < 2.028 and attr store1 > 1.968)
     and bondedto (attr store1 < 44.337 and attr store1 > 43.137))
6 6 0 peak 2566 volume 86558920 hpm1 43.737 ppm1 1.998 ppm2 7.993
!# peak 2567-----------------------------------------------
assi (attr store1 < 8.051 and attr store1 > 7.931)
    ((attr store1 < 1.759 and attr store1 > 1.699)
     and bondedto (attr store1 < 44.335 and attr store1 > 43.135))
6 6 0 peak 2567 volume 45569508 hpm1 43.735 ppm1 1.729 ppm2 7.991
!# peak 2568-----------------------------------------------
assi (attr store1 < 7.893 and attr store1 > 7.773)
    ((attr store1 < 1.758 and attr store1 > 1.698)
     and bondedto (attr store1 < 44.365 and attr store1 > 43.165))
6 6 0 peak 2568 volume 221646912 hpm1 43.765 ppm1 1.728 ppm2 7.833
!# peak 2569-----------------------------------------------
assi (attr store1 < 7.791 and attr store1 > 7.671)
    ((attr store1 < 3.080 and attr store1 > 3.020)
     and bondedto (attr store1 < 44.349 and attr store1 > 43.149))
6 6 0 peak 2569 volume 31208680 hpm1 43.749 ppm1 3.050 ppm2 7.731
!# peak 2570-----------------------------------------------
assi (attr store1 < 7.668 and attr store1 > 7.548)
    ((attr store1 < 1.623 and attr store1 > 1.563)
     and bondedto (attr store1 < 44.341 and attr store1 > 43.141))
6 6 0 peak 2570 volume 212721904 hpm1 43.741 ppm1 1.593 ppm2 7.608
!# peak 2571-----------------------------------------------
assi (attr store1 < 7.663 and attr store1 > 7.543)
    ((attr store1 < 1.104 and attr store1 > 1.044)
     and bondedto (attr store1 < 44.340 and attr store1 > 43.140))
6 6 0 peak 2571 volume 113965896 hpm1 43.740 ppm1 1.074 ppm2 7.603
!# peak 2572-----------------------------------------------
assi (attr store1 < 7.429 and attr store1 > 7.309)
    ((attr store1 < 1.759 and attr store1 > 1.699)
     and bondedto (attr store1 < 44.344 and attr store1 > 43.144))
6 6 0 peak 2572 volume 45483892 hpm1 43.744 ppm1 1.729 ppm2 7.369
!# peak 2573-----------------------------------------------
assi (attr store1 < 7.017 and attr store1 > 6.897)
    ((attr store1 < 1.621 and attr store1 > 1.561)
     and bondedto (attr store1 < 44.340 and attr store1 > 43.140))
6 6 0 peak 2573 volume 121635600 hpm1 43.740 ppm1 1.591 ppm2 6.957
!# peak 2579-----------------------------------------------
assi (attr store1 < 4.793 and attr store1 > 4.673)
    ((attr store1 < 3.851 and attr store1 > 3.791)
     and bondedto (attr store1 < 44.373 and attr store1 > 43.173))
6 6 0 peak 2579 volume 33162770 hpm1 43.773 ppm1 3.821 ppm2 4.733
!# peak 2580-----------------------------------------------
assi (attr store1 < 4.787 and attr store1 > 4.667)
    ((attr store1 < 3.072 and attr store1 > 3.012)
     and bondedto (attr store1 < 44.352 and attr store1 > 43.152))
6 6 0 peak 2580 volume 203824000 hpm1 43.752 ppm1 3.042 ppm2 4.727
!# peak 2581-----------------------------------------------
assi (attr store1 < 4.786 and attr store1 > 4.666)
    ((attr store1 < 2.988 and attr store1 > 2.928)
     and bondedto (attr store1 < 44.349 and attr store1 > 43.149))
6 6 0 peak 2581 volume 189424000 hpm1 43.749 ppm1 2.958 ppm2 4.726
!# peak 2583-----------------------------------------------
assi (attr store1 < 4.656 and attr store1 > 4.536)
    ((attr store1 < 1.764 and attr store1 > 1.704)
     and bondedto (attr store1 < 44.341 and attr store1 > 43.141))
6 6 0 peak 2583 volume 96049704 hpm1 43.741 ppm1 1.734 ppm2 4.596
!# peak 2584-----------------------------------------------
assi (attr store1 < 4.341 and attr store1 > 4.221)
    ((attr store1 < 1.620 and attr store1 > 1.560)
     and bondedto (attr store1 < 44.333 and attr store1 > 43.133))
6 6 0 peak 2584 volume 215103408 hpm1 43.733 ppm1 1.590 ppm2 4.281
!# peak 2585-----------------------------------------------
assi (attr store1 < 4.342 and attr store1 > 4.222)
    ((attr store1 < 1.102 and attr store1 > 1.042)
     and bondedto (attr store1 < 44.338 and attr store1 > 43.138))
6 6 0 peak 2585 volume 253185008 hpm1 43.738 ppm1 1.072 ppm2 4.282
!# peak 2586-----------------------------------------------
assi (attr store1 < 4.237 and attr store1 > 4.117)
    ((attr store1 < 3.071 and attr store1 > 3.011)
     and bondedto (attr store1 < 44.347 and attr store1 > 43.147))
6 6 0 peak 2586 volume 15189110 hpm1 43.747 ppm1 3.041 ppm2 4.177
!# peak 2587-----------------------------------------------
assi (attr store1 < 4.234 and attr store1 > 4.114)
    ((attr store1 < 2.988 and attr store1 > 2.928)
     and bondedto (attr store1 < 44.358 and attr store1 > 43.158))
6 6 0 peak 2587 volume 14707039 hpm1 43.758 ppm1 2.958 ppm2 4.174
!# peak 2588-----------------------------------------------
assi (attr store1 < 4.231 and attr store1 > 4.111)
    ((attr store1 < 2.028 and attr store1 > 1.968)
     and bondedto (attr store1 < 44.339 and attr store1 > 43.139))
6 6 0 peak 2588 volume 73272368 hpm1 43.739 ppm1 1.998 ppm2 4.171
!# peak 2589-----------------------------------------------
assi (attr store1 < 4.233 and attr store1 > 4.113)
    ((attr store1 < 1.758 and attr store1 > 1.698)
     and bondedto (attr store1 < 44.340 and attr store1 > 43.140))
6 6 0 peak 2589 volume 361754592 hpm1 43.740 ppm1 1.728 ppm2 4.173
!# peak 2590-----------------------------------------------
assi (attr store1 < 4.060 and attr store1 > 3.940)
    ((attr store1 < 1.621 and attr store1 > 1.561)
     and bondedto (attr store1 < 44.347 and attr store1 > 43.147))
6 6 0 peak 2590 volume 65589280 hpm1 43.747 ppm1 1.591 ppm2 4.000
!# peak 2591-----------------------------------------------
assi (attr store1 < 4.023 and attr store1 > 3.903)
    ((attr store1 < 3.077 and attr store1 > 3.017)
     and bondedto (attr store1 < 44.355 and attr store1 > 43.155))
6 6 0 peak 2591 volume 63925892 hpm1 43.755 ppm1 3.047 ppm2 3.963
!# peak 2592-----------------------------------------------
assi (attr store1 < 4.020 and attr store1 > 3.900)
    ((attr store1 < 2.987 and attr store1 > 2.927)
     and bondedto (attr store1 < 44.354 and attr store1 > 43.154))
6 6 0 peak 2592 volume 124502400 hpm1 43.754 ppm1 2.957 ppm2 3.960
!# peak 2597-----------------------------------------------
assi (attr store1 < 3.693 and attr store1 > 3.573)
    ((attr store1 < 2.029 and attr store1 > 1.969)
     and bondedto (attr store1 < 44.339 and attr store1 > 43.139))
6 6 0 peak 2597 volume 103655400 hpm1 43.739 ppm1 1.999 ppm2 3.633
!# peak 2598-----------------------------------------------
assi (attr store1 < 3.694 and attr store1 > 3.574)
    ((attr store1 < 1.759 and attr store1 > 1.699)
     and bondedto (attr store1 < 44.336 and attr store1 > 43.136))
6 6 0 peak 2598 volume 32964200 hpm1 43.736 ppm1 1.729 ppm2 3.634
!# peak 2600-----------------------------------------------
assi (attr store1 < 3.100 and attr store1 > 2.980)
    ((attr store1 < 2.989 and attr store1 > 2.929)
     and bondedto (attr store1 < 44.350 and attr store1 > 43.150))
6 6 0 peak 2600 volume 0.3317219e+10 hpm1 43.750 ppm1 2.959 ppm2 3.040
!# peak 2606-----------------------------------------------
assi (attr store1 < 2.079 and attr store1 > 1.959)
    ((attr store1 < 1.763 and attr store1 > 1.703)
     and bondedto (attr store1 < 44.339 and attr store1 > 43.139))
6 6 0 peak 2606 volume 655382400 hpm1 43.739 ppm1 1.733 ppm2 2.019
!# peak 2608-----------------------------------------------
assi (attr store1 < 1.929 and attr store1 > 1.809)
    ((attr store1 < 1.106 and attr store1 > 1.046)
     and bondedto (attr store1 < 44.343 and attr store1 > 43.143))
6 6 0 peak 2608 volume 345862880 hpm1 43.743 ppm1 1.076 ppm2 1.869
!# peak 2609-----------------------------------------------
assi (attr store1 < 1.875 and attr store1 > 1.755)
    ((attr store1 < 3.073 and attr store1 > 3.013)
     and bondedto (attr store1 < 44.358 and attr store1 > 43.158))
6 6 0 peak 2609 volume 564406080 hpm1 43.758 ppm1 3.043 ppm2 1.815
!# peak 2610-----------------------------------------------
assi (attr store1 < 1.875 and attr store1 > 1.755)
    ((attr store1 < 2.989 and attr store1 > 2.929)
     and bondedto (attr store1 < 44.353 and attr store1 > 43.153))
6 6 0 peak 2610 volume 523819808 hpm1 43.753 ppm1 2.959 ppm2 1.815
!# peak 2611-----------------------------------------------
assi (attr store1 < 1.836 and attr store1 > 1.716)
    ((attr store1 < 2.032 and attr store1 > 1.972)
     and bondedto (attr store1 < 44.339 and attr store1 > 43.139))
6 6 0 peak 2611 volume 1508789120 hpm1 43.739 ppm1 2.002 ppm2 1.776
!# peak 2615-----------------------------------------------
assi (attr store1 < 1.669 and attr store1 > 1.549)
    ((attr store1 < 1.106 and attr store1 > 1.046)
     and bondedto (attr store1 < 44.339 and attr store1 > 43.139))
6 6 0 peak 2615 volume 1088093952 hpm1 43.739 ppm1 1.076 ppm2 1.609
!# peak 2616-----------------------------------------------
assi (attr store1 < 1.481 and attr store1 > 1.361)
    ((attr store1 < 1.101 and attr store1 > 1.041)
     and bondedto (attr store1 < 44.336 and attr store1 > 43.136))
6 6 0 peak 2616 volume 139446800 hpm1 43.736 ppm1 1.071 ppm2 1.421
!# peak 2617-----------------------------------------------
assi (attr store1 < 1.432 and attr store1 > 1.312)
    ((attr store1 < 3.074 and attr store1 > 3.014)
     and bondedto (attr store1 < 44.350 and attr store1 > 43.150))
6 6 0 peak 2617 volume 267062016 hpm1 43.750 ppm1 3.044 ppm2 1.372
!# peak 2618-----------------------------------------------
assi (attr store1 < 1.427 and attr store1 > 1.307)
    ((attr store1 < 2.990 and attr store1 > 2.930)
     and bondedto (attr store1 < 44.347 and attr store1 > 43.147))
6 6 0 peak 2618 volume 255233920 hpm1 43.747 ppm1 2.960 ppm2 1.367
!# peak 2619-----------------------------------------------
assi (attr store1 < 1.386 and attr store1 > 1.266)
    ((attr store1 < 2.030 and attr store1 > 1.970)
     and bondedto (attr store1 < 44.337 and attr store1 > 43.137))
6 6 0 peak 2619 volume 4758999 hpm1 43.737 ppm1 2.000 ppm2 1.326
!# peak 2620-----------------------------------------------
assi (attr store1 < 1.382 and attr store1 > 1.262)
    ((attr store1 < 1.759 and attr store1 > 1.699)
     and bondedto (attr store1 < 44.337 and attr store1 > 43.137))
6 6 0 peak 2620 volume 66287644 hpm1 43.737 ppm1 1.729 ppm2 1.322
!# peak 2621-----------------------------------------------
assi (attr store1 < 1.159 and attr store1 > 1.039)
    ((attr store1 < 1.623 and attr store1 > 1.563)
     and bondedto (attr store1 < 44.339 and attr store1 > 43.139))
6 6 0 peak 2621 volume 1034817024 hpm1 43.739 ppm1 1.593 ppm2 1.099
!# peak 2624-----------------------------------------------
assi (attr store1 < 1.080 and attr store1 > 0.960)
    ((attr store1 < 2.032 and attr store1 > 1.972)
     and bondedto (attr store1 < 44.338 and attr store1 > 43.138))
6 6 0 peak 2624 volume 435101312 hpm1 43.738 ppm1 2.002 ppm2 1.020
!# peak 2625-----------------------------------------------
assi (attr store1 < 1.072 and attr store1 > 0.952)
    ((attr store1 < 1.759 and attr store1 > 1.699)
     and bondedto (attr store1 < 44.338 and attr store1 > 43.138))
6 6 0 peak 2625 volume 445688608 hpm1 43.738 ppm1 1.729 ppm2 1.012
!# peak 2626-----------------------------------------------
assi (attr store1 < 0.601 and attr store1 > 0.481)
    ((attr store1 < 2.027 and attr store1 > 1.967)
     and bondedto (attr store1 < 44.349 and attr store1 > 43.149))
6 6 0 peak 2626 volume 38972552 hpm1 43.749 ppm1 1.997 ppm2 0.541
!# peak 2627-----------------------------------------------
assi (attr store1 < 0.607 and attr store1 > 0.487)
    ((attr store1 < 1.758 and attr store1 > 1.698)
     and bondedto (attr store1 < 44.340 and attr store1 > 43.140))
6 6 0 peak 2627 volume 80471496 hpm1 43.740 ppm1 1.728 ppm2 0.547
!# peak 2628-----------------------------------------------
assi (attr store1 < 0.518 and attr store1 > 0.398)
    ((attr store1 < 1.620 and attr store1 > 1.560)
     and bondedto (attr store1 < 44.336 and attr store1 > 43.136))
6 6 0 peak 2628 volume 135217904 hpm1 43.736 ppm1 1.590 ppm2 0.458
!# peak 2629-----------------------------------------------
assi (attr store1 < 0.519 and attr store1 > 0.399)
    ((attr store1 < 1.101 and attr store1 > 1.041)
     and bondedto (attr store1 < 44.340 and attr store1 > 43.140))
6 6 0 peak 2629 volume 199623904 hpm1 43.740 ppm1 1.071 ppm2 0.459
!# peak 2631-----------------------------------------------
assi (attr store1 < 0.161 and attr store1 > 0.041)
    ((attr store1 < 1.624 and attr store1 > 1.564)
     and bondedto (attr store1 < 44.341 and attr store1 > 43.141))
6 6 0 peak 2631 volume 259644512 hpm1 43.741 ppm1 1.594 ppm2 0.101
!# peak 2632-----------------------------------------------
assi (attr store1 < 0.160 and attr store1 > 0.040)
    ((attr store1 < 1.101 and attr store1 > 1.041)
     and bondedto (attr store1 < 44.341 and attr store1 > 43.141))
6 6 0 peak 2632 volume 297923296 hpm1 43.741 ppm1 1.071 ppm2 0.100
!# peak 2638-----------------------------------------------
assi (attr store1 < 8.702 and attr store1 > 8.582)
    ((attr store1 < 3.832 and attr store1 > 3.772)
     and bondedto (attr store1 < 44.196 and attr store1 > 42.996))
6 6 0 peak 2638 volume 64314360 hpm1 43.596 ppm1 3.802 ppm2 8.642
!# peak 2646-----------------------------------------------
assi (attr store1 < 8.158 and attr store1 > 8.038)
    ((attr store1 < 3.831 and attr store1 > 3.771)
     and bondedto (attr store1 < 44.197 and attr store1 > 42.997))
6 6 0 peak 2646 volume 254136000 hpm1 43.597 ppm1 3.801 ppm2 8.098
!# peak 2649-----------------------------------------------
assi (attr store1 < 7.883 and attr store1 > 7.763)
    ((attr store1 < 3.831 and attr store1 > 3.771)
     and bondedto (attr store1 < 44.196 and attr store1 > 42.996))
6 6 0 peak 2649 volume 91018168 hpm1 43.596 ppm1 3.801 ppm2 7.823
!# peak 2653-----------------------------------------------
assi (attr store1 < 7.640 and attr store1 > 7.520)
    ((attr store1 < 3.845 and attr store1 > 3.785)
     and bondedto (attr store1 < 44.189 and attr store1 > 42.989))
6 6 0 peak 2653 volume 93443296 hpm1 43.589 ppm1 3.815 ppm2 7.580
!# peak 2656-----------------------------------------------
assi (attr store1 < 7.208 and attr store1 > 7.088)
    ((attr store1 < 3.832 and attr store1 > 3.772)
     and bondedto (attr store1 < 44.194 and attr store1 > 42.994))
6 6 0 peak 2656 volume 186227600 hpm1 43.594 ppm1 3.802 ppm2 7.148
!# peak 2657-----------------------------------------------
assi (attr store1 < 7.021 and attr store1 > 6.901)
    ((attr store1 < 1.101 and attr store1 > 1.041)
     and bondedto (attr store1 < 44.195 and attr store1 > 42.995))
6 6 0 peak 2657 volume 149110096 hpm1 43.595 ppm1 1.071 ppm2 6.961
!# peak 2658-----------------------------------------------
assi (attr store1 < 6.148 and attr store1 > 6.028)
    ((attr store1 < 3.831 and attr store1 > 3.771)
     and bondedto (attr store1 < 44.200 and attr store1 > 43.000))
6 6 0 peak 2658 volume 56579144 hpm1 43.600 ppm1 3.801 ppm2 6.088
!# peak 2665-----------------------------------------------
assi (attr store1 < 4.653 and attr store1 > 4.533)
    ((attr store1 < 2.027 and attr store1 > 1.967)
     and bondedto (attr store1 < 44.190 and attr store1 > 42.990))
6 6 0 peak 2665 volume 107997296 hpm1 43.590 ppm1 1.997 ppm2 4.593
!# peak 2666-----------------------------------------------
assi (attr store1 < 3.423 and attr store1 > 3.303)
    ((attr store1 < 3.832 and attr store1 > 3.772)
     and bondedto (attr store1 < 44.202 and attr store1 > 43.002))
6 6 0 peak 2666 volume 193660896 hpm1 43.602 ppm1 3.802 ppm2 3.363
!# peak 2669-----------------------------------------------
assi (attr store1 < 2.646 and attr store1 > 2.526)
    ((attr store1 < 3.832 and attr store1 > 3.772)
     and bondedto (attr store1 < 44.195 and attr store1 > 42.995))
6 6 0 peak 2669 volume 226534608 hpm1 43.595 ppm1 3.802 ppm2 2.586
!# peak 2670-----------------------------------------------
assi (attr store1 < 2.279 and attr store1 > 2.159)
    ((attr store1 < 3.829 and attr store1 > 3.769)
     and bondedto (attr store1 < 44.185 and attr store1 > 42.985))
6 6 0 peak 2670 volume 23173970 hpm1 43.585 ppm1 3.799 ppm2 2.219
!# peak 2672-----------------------------------------------
assi (attr store1 < 2.016 and attr store1 > 1.896)
    ((attr store1 < 3.828 and attr store1 > 3.768)
     and bondedto (attr store1 < 44.172 and attr store1 > 42.972))
6 6 0 peak 2672 volume 69015344 hpm1 43.572 ppm1 3.798 ppm2 1.956
!# peak 2675-----------------------------------------------
assi (attr store1 < 1.836 and attr store1 > 1.716)
    ((attr store1 < 3.831 and attr store1 > 3.771)
     and bondedto (attr store1 < 44.185 and attr store1 > 42.985))
6 6 0 peak 2675 volume 90080512 hpm1 43.585 ppm1 3.801 ppm2 1.776
!# peak 2679-----------------------------------------------
assi (attr store1 < 1.505 and attr store1 > 1.385)
    ((attr store1 < 3.831 and attr store1 > 3.771)
     and bondedto (attr store1 < 44.198 and attr store1 > 42.998))
6 6 0 peak 2679 volume 551258048 hpm1 43.598 ppm1 3.801 ppm2 1.445
!# peak 2680-----------------------------------------------
assi (attr store1 < 1.345 and attr store1 > 1.225)
    ((attr store1 < 3.831 and attr store1 > 3.771)
     and bondedto (attr store1 < 44.197 and attr store1 > 42.997))
6 6 0 peak 2680 volume 595564608 hpm1 43.597 ppm1 3.801 ppm2 1.285
!# peak 2683-----------------------------------------------
assi (attr store1 < 1.068 and attr store1 > 0.948)
    ((attr store1 < 3.831 and attr store1 > 3.771)
     and bondedto (attr store1 < 44.201 and attr store1 > 43.001))
6 6 0 peak 2683 volume 103136600 hpm1 43.601 ppm1 3.801 ppm2 1.008
!# peak 2699-----------------------------------------------
assi (attr store1 < 7.349 and attr store1 > 7.229)
    ((attr store1 < 3.262 and attr store1 > 3.202)
     and bondedto (attr store1 < 43.972 and attr store1 > 42.772))
6 6 0 peak 2699 volume 21449390 hpm1 43.372 ppm1 3.232 ppm2 7.289
!# peak 2707-----------------------------------------------
assi (attr store1 < 4.458 and attr store1 > 4.338)
    ((attr store1 < 3.264 and attr store1 > 3.204)
     and bondedto (attr store1 < 43.976 and attr store1 > 42.776))
6 6 0 peak 2707 volume 30318580 hpm1 43.376 ppm1 3.234 ppm2 4.398
!# peak 2708-----------------------------------------------
assi (attr store1 < 4.380 and attr store1 > 4.260)
    ((attr store1 < 3.169 and attr store1 > 3.109)
     and bondedto (attr store1 < 43.968 and attr store1 > 42.768))
6 6 0 peak 2708 volume 6380432 hpm1 43.368 ppm1 3.139 ppm2 4.320
!# peak 2709-----------------------------------------------
assi (attr store1 < 4.241 and attr store1 > 4.121)
    ((attr store1 < 3.264 and attr store1 > 3.204)
     and bondedto (attr store1 < 43.993 and attr store1 > 42.793))
6 6 0 peak 2709 volume 35943092 hpm1 43.393 ppm1 3.234 ppm2 4.181
!# peak 2730-----------------------------------------------
assi (attr store1 < 1.965 and attr store1 > 1.845)
    ((attr store1 < 3.265 and attr store1 > 3.205)
     and bondedto (attr store1 < 43.977 and attr store1 > 42.777))
6 6 0 peak 2730 volume 935825280 hpm1 43.377 ppm1 3.235 ppm2 1.905
!# peak 2731-----------------------------------------------
assi (attr store1 < 1.617 and attr store1 > 1.497)
    ((attr store1 < 3.172 and attr store1 > 3.112)
     and bondedto (attr store1 < 43.976 and attr store1 > 42.776))
6 6 0 peak 2731 volume 1051395968 hpm1 43.376 ppm1 3.142 ppm2 1.557
!# peak 2735-----------------------------------------------
assi (attr store1 < 0.834 and attr store1 > 0.714)
    ((attr store1 < 3.173 and attr store1 > 3.113)
     and bondedto (attr store1 < 43.978 and attr store1 > 42.778))
6 6 0 peak 2735 volume 125523000 hpm1 43.378 ppm1 3.143 ppm2 0.774
!# peak 2736-----------------------------------------------
assi (attr store1 < 0.519 and attr store1 > 0.399)
    ((attr store1 < 3.274 and attr store1 > 3.214)
     and bondedto (attr store1 < 43.993 and attr store1 > 42.793))
6 6 0 peak 2736 volume 39691780 hpm1 43.393 ppm1 3.244 ppm2 0.459
!# peak 2747-----------------------------------------------
assi (attr store1 < 4.786 and attr store1 > 4.666)
    ((attr store1 < 3.278 and attr store1 > 3.218)
     and bondedto (attr store1 < 43.797 and attr store1 > 42.597))
6 6 0 peak 2747 volume 284877504 hpm1 43.197 ppm1 3.248 ppm2 4.726
!# peak 2748-----------------------------------------------
assi (attr store1 < 4.786 and attr store1 > 4.666)
    ((attr store1 < 3.192 and attr store1 > 3.132)
     and bondedto (attr store1 < 43.814 and attr store1 > 42.614))
6 6 0 peak 2748 volume 299686112 hpm1 43.214 ppm1 3.162 ppm2 4.726
!# peak 2749-----------------------------------------------
assi (attr store1 < 4.515 and attr store1 > 4.395)
    ((attr store1 < 1.460 and attr store1 > 1.400)
     and bondedto (attr store1 < 43.768 and attr store1 > 42.568))
6 6 0 peak 2749 volume 22749080 hpm1 43.168 ppm1 1.430 ppm2 4.455
!# peak 2752-----------------------------------------------
assi (attr store1 < 2.651 and attr store1 > 2.531)
    ((attr store1 < 3.279 and attr store1 > 3.219)
     and bondedto (attr store1 < 43.798 and attr store1 > 42.598))
6 6 0 peak 2752 volume 50515480 hpm1 43.198 ppm1 3.249 ppm2 2.591
!# peak 2754-----------------------------------------------
assi (attr store1 < 2.201 and attr store1 > 2.081)
    ((attr store1 < 3.281 and attr store1 > 3.221)
     and bondedto (attr store1 < 43.778 and attr store1 > 42.578))
6 6 0 peak 2754 volume 217053200 hpm1 43.178 ppm1 3.251 ppm2 2.141
!# peak 2755-----------------------------------------------
assi (attr store1 < 2.203 and attr store1 > 2.083)
    ((attr store1 < 3.201 and attr store1 > 3.141)
     and bondedto (attr store1 < 43.782 and attr store1 > 42.582))
6 6 0 peak 2755 volume 215135696 hpm1 43.182 ppm1 3.171 ppm2 2.143
!# peak 2757-----------------------------------------------
assi (attr store1 < 1.737 and attr store1 > 1.617)
    ((attr store1 < 3.278 and attr store1 > 3.218)
     and bondedto (attr store1 < 43.815 and attr store1 > 42.615))
6 6 0 peak 2757 volume 612326656 hpm1 43.215 ppm1 3.248 ppm2 1.677
!# peak 2758-----------------------------------------------
assi (attr store1 < 1.017 and attr store1 > 0.897)
    ((attr store1 < 3.194 and attr store1 > 3.134)
     and bondedto (attr store1 < 43.797 and attr store1 > 42.597))
6 6 0 peak 2758 volume 155637696 hpm1 43.197 ppm1 3.164 ppm2 0.957
!# peak 2759-----------------------------------------------
assi (attr store1 < 0.886 and attr store1 > 0.766)
    ((attr store1 < 3.277 and attr store1 > 3.217)
     and bondedto (attr store1 < 43.784 and attr store1 > 42.584))
6 6 0 peak 2759 volume 72384944 hpm1 43.184 ppm1 3.247 ppm2 0.826
!# peak 2766-----------------------------------------------
assi (attr store1 < 8.512 and attr store1 > 8.392)
    ((attr store1 < 1.458 and attr store1 > 1.398)
     and bondedto (attr store1 < 43.625 and attr store1 > 42.425))
6 6 0 peak 2766 volume 84961040 hpm1 43.025 ppm1 1.428 ppm2 8.452
!# peak 2767-----------------------------------------------
assi (attr store1 < 8.290 and attr store1 > 8.170)
    ((attr store1 < 1.460 and attr store1 > 1.400)
     and bondedto (attr store1 < 43.623 and attr store1 > 42.423))
6 6 0 peak 2767 volume 518773664 hpm1 43.023 ppm1 1.430 ppm2 8.230
!# peak 2774-----------------------------------------------
assi (attr store1 < 5.052 and attr store1 > 4.932)
    ((attr store1 < 1.461 and attr store1 > 1.401)
     and bondedto (attr store1 < 43.621 and attr store1 > 42.421))
6 6 0 peak 2774 volume 64186268 hpm1 43.021 ppm1 1.431 ppm2 4.992
!# peak 2777-----------------------------------------------
assi (attr store1 < 3.978 and attr store1 > 3.858)
    ((attr store1 < 3.288 and attr store1 > 3.228)
     and bondedto (attr store1 < 43.623 and attr store1 > 42.423))
6 6 0 peak 2777 volume 52024840 hpm1 43.023 ppm1 3.258 ppm2 3.918
!# peak 2778-----------------------------------------------
assi (attr store1 < 3.971 and attr store1 > 3.851)
    ((attr store1 < 3.214 and attr store1 > 3.154)
     and bondedto (attr store1 < 43.621 and attr store1 > 42.421))
6 6 0 peak 2778 volume 38310540 hpm1 43.021 ppm1 3.184 ppm2 3.911
!# peak 2779-----------------------------------------------
assi (attr store1 < 3.732 and attr store1 > 3.612)
    ((attr store1 < 1.461 and attr store1 > 1.401)
     and bondedto (attr store1 < 43.621 and attr store1 > 42.421))
6 6 0 peak 2779 volume 460824416 hpm1 43.021 ppm1 1.431 ppm2 3.672
!# peak 2780-----------------------------------------------
assi (attr store1 < 3.29 and attr store1 > 3.17)
    ((attr store1 < 1.462 and attr store1 > 1.402)
     and bondedto (attr store1 < 43.639 and attr store1 > 42.439))
6 6 0 peak 2780 volume 308655712 hpm1 43.039 ppm1 1.432 ppm2 3.23
!# peak 2781-----------------------------------------------
assi (attr store1 < 3.098 and attr store1 > 2.978)
    ((attr store1 < 1.460 and attr store1 > 1.400)
     and bondedto (attr store1 < 43.624 and attr store1 > 42.424))
6 6 0 peak 2781 volume 454738784 hpm1 43.024 ppm1 1.430 ppm2 3.038
!# peak 2782-----------------------------------------------
assi (attr store1 < 2.649 and attr store1 > 2.529)
    ((attr store1 < 1.461 and attr store1 > 1.401)
     and bondedto (attr store1 < 43.626 and attr store1 > 42.426))
6 6 0 peak 2782 volume 111505296 hpm1 43.026 ppm1 1.431 ppm2 2.589
!# peak 2783-----------------------------------------------
assi (attr store1 < 2.473 and attr store1 > 2.353)
    ((attr store1 < 1.458 and attr store1 > 1.398)
     and bondedto (attr store1 < 43.615 and attr store1 > 42.415))
6 6 0 peak 2783 volume 109840896 hpm1 43.015 ppm1 1.428 ppm2 2.413
!# peak 2784-----------------------------------------------
assi (attr store1 < 2.282 and attr store1 > 2.162)
    ((attr store1 < 1.459 and attr store1 > 1.399)
     and bondedto (attr store1 < 43.628 and attr store1 > 42.428))
6 6 0 peak 2784 volume 52359640 hpm1 43.028 ppm1 1.429 ppm2 2.222
!# peak 2785-----------------------------------------------
assi (attr store1 < 2.202 and attr store1 > 2.082)
    ((attr store1 < 1.012 and attr store1 > 0.952)
     and bondedto (attr store1 < 43.602 and attr store1 > 42.402))
6 6 0 peak 2785 volume 39199060 hpm1 43.002 ppm1 0.982 ppm2 2.142
!# peak 2796-----------------------------------------------
assi (attr store1 < 1.053 and attr store1 > 0.933)
    ((attr store1 < 3.283 and attr store1 > 3.223)
     and bondedto (attr store1 < 43.622 and attr store1 > 42.422))
6 6 0 peak 2796 volume 88913608 hpm1 43.022 ppm1 3.253 ppm2 0.993
!# peak 2797-----------------------------------------------
assi (attr store1 < 0.829 and attr store1 > 0.709)
    ((attr store1 < 1.460 and attr store1 > 1.400)
     and bondedto (attr store1 < 43.623 and attr store1 > 42.423))
6 6 0 peak 2797 volume 212187712 hpm1 43.023 ppm1 1.430 ppm2 0.769
!# peak 2802-----------------------------------------------
assi (attr store1 < 10.298 and attr store1 > 10.178)
    ((attr store1 < 0.605 and attr store1 > 0.545)
     and bondedto (attr store1 < 43.438 and attr store1 > 42.238))
6 6 0 peak 2802 volume 62903952 hpm1 42.838 ppm1 0.575 ppm2 10.238
!# peak 2805-----------------------------------------------
assi (attr store1 < 8.738 and attr store1 > 8.618)
    ((attr store1 < 1.916 and attr store1 > 1.856)
     and bondedto (attr store1 < 43.425 and attr store1 > 42.225))
6 6 0 peak 2805 volume 507201024 hpm1 42.825 ppm1 1.886 ppm2 8.678
!# peak 2806-----------------------------------------------
assi (attr store1 < 8.738 and attr store1 > 8.618)
    ((attr store1 < 1.026 and attr store1 > 0.966)
     and bondedto (attr store1 < 43.425 and attr store1 > 42.225))
6 6 0 peak 2806 volume 220090304 hpm1 42.825 ppm1 0.996 ppm2 8.678
!# peak 2811-----------------------------------------------
assi (attr store1 < 7.661 and attr store1 > 7.541)
    ((attr store1 < 0.605 and attr store1 > 0.545)
     and bondedto (attr store1 < 43.433 and attr store1 > 42.233))
6 6 0 peak 2811 volume 215153904 hpm1 42.833 ppm1 0.575 ppm2 7.601
!# peak 2814-----------------------------------------------
assi (attr store1 < 7.326 and attr store1 > 7.206)
    ((attr store1 < 1.418 and attr store1 > 1.358)
     and bondedto (attr store1 < 43.450 and attr store1 > 42.250))
6 6 0 peak 2814 volume 163679088 hpm1 42.850 ppm1 1.388 ppm2 7.266
!# peak 2815-----------------------------------------------
assi (attr store1 < 7.106 and attr store1 > 6.986)
    ((attr store1 < 0.614 and attr store1 > 0.554)
     and bondedto (attr store1 < 43.439 and attr store1 > 42.239))
6 6 0 peak 2815 volume 196396208 hpm1 42.839 ppm1 0.584 ppm2 7.046
!# peak 2816-----------------------------------------------
assi (attr store1 < 6.655 and attr store1 > 6.535)
    ((attr store1 < 1.282 and attr store1 > 1.222)
     and bondedto (attr store1 < 43.397 and attr store1 > 42.197))
6 6 0 peak 2816 volume 23385160 hpm1 42.797 ppm1 1.252 ppm2 6.595
!# peak 2819-----------------------------------------------
assi (attr store1 < 4.790 and attr store1 > 4.670)
    ((attr store1 < 1.416 and attr store1 > 1.356)
     and bondedto (attr store1 < 43.448 and attr store1 > 42.248))
6 6 0 peak 2819 volume 162111296 hpm1 42.848 ppm1 1.386 ppm2 4.730
!# peak 2820-----------------------------------------------
assi (attr store1 < 4.245 and attr store1 > 4.125)
    ((attr store1 < 0.614 and attr store1 > 0.554)
     and bondedto (attr store1 < 43.442 and attr store1 > 42.242))
6 6 0 peak 2820 volume 184408096 hpm1 42.842 ppm1 0.584 ppm2 4.185
!# peak 2821-----------------------------------------------
assi (attr store1 < 4.156 and attr store1 > 4.036)
    ((attr store1 < 1.417 and attr store1 > 1.357)
     and bondedto (attr store1 < 43.446 and attr store1 > 42.246))
6 6 0 peak 2821 volume 856696576 hpm1 42.846 ppm1 1.387 ppm2 4.096
!# peak 2823-----------------------------------------------
assi (attr store1 < 3.967 and attr store1 > 3.847)
    ((attr store1 < 1.027 and attr store1 > 0.967)
     and bondedto (attr store1 < 43.430 and attr store1 > 42.230))
6 6 0 peak 2823 volume 160212000 hpm1 42.830 ppm1 0.997 ppm2 3.907
!# peak 2824-----------------------------------------------
assi (attr store1 < 3.943 and attr store1 > 3.823)
    ((attr store1 < 1.918 and attr store1 > 1.858)
     and bondedto (attr store1 < 43.418 and attr store1 > 42.218))
6 6 0 peak 2824 volume 552695232 hpm1 42.818 ppm1 1.888 ppm2 3.883
!# peak 2825-----------------------------------------------
assi (attr store1 < 3.341 and attr store1 > 3.221)
    ((attr store1 < 1.028 and attr store1 > 0.968)
     and bondedto (attr store1 < 43.422 and attr store1 > 42.222))
6 6 0 peak 2825 volume 16327690 hpm1 42.822 ppm1 0.998 ppm2 3.281
!# peak 2826-----------------------------------------------
assi (attr store1 < 3.291 and attr store1 > 3.171)
    ((attr store1 < 1.281 and attr store1 > 1.221)
     and bondedto (attr store1 < 43.430 and attr store1 > 42.230))
6 6 0 peak 2826 volume 63223244 hpm1 42.830 ppm1 1.251 ppm2 3.231
!# peak 2827-----------------------------------------------
assi (attr store1 < 2.933 and attr store1 > 2.813)
    ((attr store1 < 0.613 and attr store1 > 0.553)
     and bondedto (attr store1 < 43.440 and attr store1 > 42.240))
6 6 0 peak 2827 volume 17766600 hpm1 42.840 ppm1 0.583 ppm2 2.873
!# peak 2828-----------------------------------------------
assi (attr store1 < 2.780 and attr store1 > 2.660)
    ((attr store1 < 0.615 and attr store1 > 0.555)
     and bondedto (attr store1 < 43.439 and attr store1 > 42.239))
6 6 0 peak 2828 volume 41275220 hpm1 42.839 ppm1 0.585 ppm2 2.720
!# peak 2829-----------------------------------------------
assi (attr store1 < 2.607 and attr store1 > 2.487)
    ((attr store1 < 0.615 and attr store1 > 0.555)
     and bondedto (attr store1 < 43.437 and attr store1 > 42.237))
6 6 0 peak 2829 volume 51053540 hpm1 42.837 ppm1 0.585 ppm2 2.547
!# peak 2830-----------------------------------------------
assi (attr store1 < 2.195 and attr store1 > 2.075)
    ((attr store1 < 1.916 and attr store1 > 1.856)
     and bondedto (attr store1 < 43.441 and attr store1 > 42.241))
6 6 0 peak 2830 volume 548880384 hpm1 42.841 ppm1 1.886 ppm2 2.135
!# peak 2831-----------------------------------------------
assi (attr store1 < 2.060 and attr store1 > 1.940)
    ((attr store1 < 0.614 and attr store1 > 0.554)
     and bondedto (attr store1 < 43.445 and attr store1 > 42.245))
6 6 0 peak 2831 volume 58216320 hpm1 42.845 ppm1 0.584 ppm2 2.000
!# peak 2834-----------------------------------------------
assi (attr store1 < 1.972 and attr store1 > 1.852)
    ((attr store1 < 1.028 and attr store1 > 0.968)
     and bondedto (attr store1 < 43.425 and attr store1 > 42.225))
6 6 0 peak 2834 volume 314810176 hpm1 42.825 ppm1 0.998 ppm2 1.912
!# peak 2835-----------------------------------------------
assi (attr store1 < 1.872 and attr store1 > 1.752)
    ((attr store1 < 0.615 and attr store1 > 0.555)
     and bondedto (attr store1 < 43.439 and attr store1 > 42.239))
6 6 0 peak 2835 volume 85204824 hpm1 42.839 ppm1 0.585 ppm2 1.812
!# peak 2840-----------------------------------------------
assi (attr store1 < 1.467 and attr store1 > 1.347)
    ((attr store1 < 0.614 and attr store1 > 0.554)
     and bondedto (attr store1 < 43.439 and attr store1 > 42.239))
6 6 0 peak 2840 volume 347228096 hpm1 42.839 ppm1 0.584 ppm2 1.407
!# peak 2842-----------------------------------------------
assi (attr store1 < 1.072 and attr store1 > 0.952)
    ((attr store1 < 1.917 and attr store1 > 1.857)
     and bondedto (attr store1 < 43.423 and attr store1 > 42.223))
6 6 0 peak 2842 volume 0.2235859e+10 hpm1 42.823 ppm1 1.887 ppm2 1.012
!# peak 2843-----------------------------------------------
assi (attr store1 < 0.658 and attr store1 > 0.538)
    ((attr store1 < 1.415 and attr store1 > 1.355)
     and bondedto (attr store1 < 43.445 and attr store1 > 42.245))
6 6 0 peak 2843 volume 126448704 hpm1 42.845 ppm1 1.385 ppm2 0.598
!# peak 2850-----------------------------------------------
assi (attr store1 < 0.331 and attr store1 > 0.211)
    ((attr store1 < 1.917 and attr store1 > 1.857)
     and bondedto (attr store1 < 43.425 and attr store1 > 42.225))
6 6 0 peak 2850 volume 489059296 hpm1 42.825 ppm1 1.887 ppm2 0.271
!# peak 2851-----------------------------------------------
assi (attr store1 < 0.296 and attr store1 > 0.176)
    ((attr store1 < 1.028 and attr store1 > 0.968)
     and bondedto (attr store1 < 43.425 and attr store1 > 42.225))
6 6 0 peak 2851 volume 361385120 hpm1 42.825 ppm1 0.998 ppm2 0.236
!# peak 2856-----------------------------------------------
assi (attr store1 < 8.556 and attr store1 > 8.436)
    ((attr store1 < 3.397 and attr store1 > 3.337)
     and bondedto (attr store1 < 43.245 and attr store1 > 42.045))
6 6 0 peak 2856 volume 125770408 hpm1 42.645 ppm1 3.367 ppm2 8.496
!# peak 2857-----------------------------------------------
assi (attr store1 < 8.253 and attr store1 > 8.133)
    ((attr store1 < 1.282 and attr store1 > 1.222)
     and bondedto (attr store1 < 43.252 and attr store1 > 42.052))
6 6 0 peak 2857 volume 216670304 hpm1 42.652 ppm1 1.252 ppm2 8.193
!# peak 2859-----------------------------------------------
assi (attr store1 < 7.937 and attr store1 > 7.817)
    ((attr store1 < 3.396 and attr store1 > 3.336)
     and bondedto (attr store1 < 43.244 and attr store1 > 42.044))
6 6 0 peak 2859 volume 198646688 hpm1 42.644 ppm1 3.366 ppm2 7.877
!# peak 2862-----------------------------------------------
assi (attr store1 < 7.652 and attr store1 > 7.532)
    ((attr store1 < 1.282 and attr store1 > 1.222)
     and bondedto (attr store1 < 43.253 and attr store1 > 42.053))
6 6 0 peak 2862 volume 30581548 hpm1 42.653 ppm1 1.252 ppm2 7.592
!# peak 2865-----------------------------------------------
assi (attr store1 < 7.423 and attr store1 > 7.303)
    ((attr store1 < 1.281 and attr store1 > 1.221)
     and bondedto (attr store1 < 43.257 and attr store1 > 42.057))
6 6 0 peak 2865 volume 122625400 hpm1 42.657 ppm1 1.251 ppm2 7.363
!# peak 2866-----------------------------------------------
assi (attr store1 < 6.980 and attr store1 > 6.860)
    ((attr store1 < 1.281 and attr store1 > 1.221)
     and bondedto (attr store1 < 43.255 and attr store1 > 42.055))
6 6 0 peak 2866 volume 119357400 hpm1 42.655 ppm1 1.251 ppm2 6.920
!# peak 2867-----------------------------------------------
assi (attr store1 < 6.842 and attr store1 > 6.722)
    ((attr store1 < 3.397 and attr store1 > 3.337)
     and bondedto (attr store1 < 43.243 and attr store1 > 42.043))
6 6 0 peak 2867 volume 52514160 hpm1 42.643 ppm1 3.367 ppm2 6.782
!# peak 2870-----------------------------------------------
assi (attr store1 < 5.063 and attr store1 > 4.943)
    ((attr store1 < 1.282 and attr store1 > 1.222)
     and bondedto (attr store1 < 43.253 and attr store1 > 42.053))
6 6 0 peak 2870 volume 139243904 hpm1 42.653 ppm1 1.252 ppm2 5.003
!# peak 2872-----------------------------------------------
assi (attr store1 < 4.787 and attr store1 > 4.667)
    ((attr store1 < 1.276 and attr store1 > 1.216)
     and bondedto (attr store1 < 43.262 and attr store1 > 42.062))
6 6 0 peak 2872 volume 45119700 hpm1 42.662 ppm1 1.246 ppm2 4.727
!# peak 2873-----------------------------------------------
assi (attr store1 < 4.287 and attr store1 > 4.167)
    ((attr store1 < 1.282 and attr store1 > 1.222)
     and bondedto (attr store1 < 43.256 and attr store1 > 42.056))
6 6 0 peak 2873 volume 333424800 hpm1 42.656 ppm1 1.252 ppm2 4.227
!# peak 2875-----------------------------------------------
assi (attr store1 < 3.738 and attr store1 > 3.618)
    ((attr store1 < 1.281 and attr store1 > 1.221)
     and bondedto (attr store1 < 43.258 and attr store1 > 42.058))
6 6 0 peak 2875 volume 82099408 hpm1 42.658 ppm1 1.251 ppm2 3.678
!# peak 2880-----------------------------------------------
assi (attr store1 < 3.096 and attr store1 > 2.976)
    ((attr store1 < 1.282 and attr store1 > 1.222)
     and bondedto (attr store1 < 43.249 and attr store1 > 42.049))
6 6 0 peak 2880 volume 337846176 hpm1 42.649 ppm1 1.252 ppm2 3.036
!# peak 2883-----------------------------------------------
assi (attr store1 < 2.425 and attr store1 > 2.305)
    ((attr store1 < 1.282 and attr store1 > 1.222)
     and bondedto (attr store1 < 43.248 and attr store1 > 42.048))
6 6 0 peak 2883 volume 167914400 hpm1 42.648 ppm1 1.252 ppm2 2.365
!# peak 2884-----------------------------------------------
assi (attr store1 < 2.198 and attr store1 > 2.078)
    ((attr store1 < 3.396 and attr store1 > 3.336)
     and bondedto (attr store1 < 43.244 and attr store1 > 42.044))
6 6 0 peak 2884 volume 216062688 hpm1 42.644 ppm1 3.366 ppm2 2.138
!# peak 2888-----------------------------------------------
assi (attr store1 < 1.830 and attr store1 > 1.710)
    ((attr store1 < 3.396 and attr store1 > 3.336)
     and bondedto (attr store1 < 43.243 and attr store1 > 42.043))
6 6 0 peak 2888 volume 365063616 hpm1 42.643 ppm1 3.366 ppm2 1.770
!# peak 2892-----------------------------------------------
assi (attr store1 < 1.646 and attr store1 > 1.526)
    ((attr store1 < 3.396 and attr store1 > 3.336)
     and bondedto (attr store1 < 43.244 and attr store1 > 42.044))
6 6 0 peak 2892 volume 299086816 hpm1 42.644 ppm1 3.366 ppm2 1.586
!# peak 2893-----------------------------------------------
assi (attr store1 < 1.417 and attr store1 > 1.297)
    ((attr store1 < 3.396 and attr store1 > 3.336)
     and bondedto (attr store1 < 43.248 and attr store1 > 42.048))
6 6 0 peak 2893 volume 158533392 hpm1 42.648 ppm1 3.366 ppm2 1.357
!# peak 2897-----------------------------------------------
assi (attr store1 < 1.053 and attr store1 > 0.933)
    ((attr store1 < 3.396 and attr store1 > 3.336)
     and bondedto (attr store1 < 43.244 and attr store1 > 42.044))
6 6 0 peak 2897 volume 691479232 hpm1 42.644 ppm1 3.366 ppm2 0.993
!# peak 2898-----------------------------------------------
assi (attr store1 < 0.747 and attr store1 > 0.627)
    ((attr store1 < 1.281 and attr store1 > 1.221)
     and bondedto (attr store1 < 43.254 and attr store1 > 42.054))
6 6 0 peak 2898 volume 284786688 hpm1 42.654 ppm1 1.251 ppm2 0.687
!# peak 2899-----------------------------------------------
assi (attr store1 < 0.700 and attr store1 > 0.580)
    ((attr store1 < 3.396 and attr store1 > 3.336)
     and bondedto (attr store1 < 43.242 and attr store1 > 42.042))
6 6 0 peak 2899 volume 228967296 hpm1 42.642 ppm1 3.366 ppm2 0.640
!# peak 2900-----------------------------------------------
assi (attr store1 < 0.471 and attr store1 > 0.351)
    ((attr store1 < 1.279 and attr store1 > 1.219)
     and bondedto (attr store1 < 43.268 and attr store1 > 42.068))
6 6 0 peak 2900 volume 22294120 hpm1 42.668 ppm1 1.249 ppm2 0.411
!# peak 2901-----------------------------------------------
assi (attr store1 < 0.193 and attr store1 > 0.073)
    ((attr store1 < 1.282 and attr store1 > 1.222)
     and bondedto (attr store1 < 43.243 and attr store1 > 42.043))
6 6 0 peak 2901 volume 56446956 hpm1 42.643 ppm1 1.252 ppm2 0.133
!# peak 2933-----------------------------------------------
assi (attr store1 < 8.103 and attr store1 > 7.983)
    ((attr store1 < 1.830 and attr store1 > 1.770)
     and bondedto (attr store1 < 42.855 and attr store1 > 41.655))
6 6 0 peak 2933 volume 367571488 hpm1 42.255 ppm1 1.800 ppm2 8.043
!# peak 2934-----------------------------------------------
assi (attr store1 < 7.939 and attr store1 > 7.819)
    ((attr store1 < 4.123 and attr store1 > 4.063)
     and bondedto (attr store1 < 42.867 and attr store1 > 41.667))
6 6 0 peak 2934 volume 29994630 hpm1 42.267 ppm1 4.093 ppm2 7.879
!# peak 2942-----------------------------------------------
assi (attr store1 < 3.969 and attr store1 > 3.849)
    ((attr store1 < 1.328 and attr store1 > 1.268)
     and bondedto (attr store1 < 42.856 and attr store1 > 41.656))
6 6 0 peak 2942 volume 364468800 hpm1 42.256 ppm1 1.298 ppm2 3.909
!# peak 2949-----------------------------------------------
assi (attr store1 < 1.884 and attr store1 > 1.764)
    ((attr store1 < 1.328 and attr store1 > 1.268)
     and bondedto (attr store1 < 42.859 and attr store1 > 41.659))
6 6 0 peak 2949 volume 1338562944 hpm1 42.259 ppm1 1.298 ppm2 1.824
!# peak 2951-----------------------------------------------
assi (attr store1 < 1.382 and attr store1 > 1.262)
    ((attr store1 < 1.832 and attr store1 > 1.772)
     and bondedto (attr store1 < 42.856 and attr store1 > 41.656))
6 6 0 peak 2951 volume 1715627008 hpm1 42.256 ppm1 1.802 ppm2 1.322
!# peak 2952-----------------------------------------------
assi (attr store1 < 0.976 and attr store1 > 0.856)
    ((attr store1 < 1.830 and attr store1 > 1.770)
     and bondedto (attr store1 < 42.842 and attr store1 > 41.642))
6 6 0 peak 2952 volume 0.2977744e+10 hpm1 42.242 ppm1 1.800 ppm2 0.916
!# peak 2953-----------------------------------------------
assi (attr store1 < 0.962 and attr store1 > 0.842)
    ((attr store1 < 1.328 and attr store1 > 1.268)
     and bondedto (attr store1 < 42.861 and attr store1 > 41.661))
6 6 0 peak 2953 volume 653137984 hpm1 42.261 ppm1 1.298 ppm2 0.902
!# peak 2961-----------------------------------------------
assi (attr store1 < 9.228 and attr store1 > 9.108)
    ((attr store1 < 4.119 and attr store1 > 4.059)
     and bondedto (attr store1 < 42.695 and attr store1 > 41.495))
6 6 0 peak 2961 volume 45410540 hpm1 42.095 ppm1 4.089 ppm2 9.168
!# peak 2964-----------------------------------------------
assi (attr store1 < 9.075 and attr store1 > 8.955)
    ((attr store1 < 1.127 and attr store1 > 1.067)
     and bondedto (attr store1 < 42.691 and attr store1 > 41.491))
6 6 0 peak 2964 volume 156164400 hpm1 42.091 ppm1 1.097 ppm2 9.015
!# peak 2965-----------------------------------------------
assi (attr store1 < 8.574 and attr store1 > 8.454)
    ((attr store1 < 1.691 and attr store1 > 1.631)
     and bondedto (attr store1 < 42.655 and attr store1 > 41.455))
6 6 0 peak 2965 volume 367537504 hpm1 42.055 ppm1 1.661 ppm2 8.514
!# peak 2966-----------------------------------------------
assi (attr store1 < 8.505 and attr store1 > 8.385)
    ((attr store1 < 0.991 and attr store1 > 0.931)
     and bondedto (attr store1 < 42.666 and attr store1 > 41.466))
6 6 0 peak 2966 volume 81965104 hpm1 42.066 ppm1 0.961 ppm2 8.445
!# peak 2970-----------------------------------------------
assi (attr store1 < 8.015 and attr store1 > 7.895)
    ((attr store1 < 0.989 and attr store1 > 0.929)
     and bondedto (attr store1 < 42.669 and attr store1 > 41.469))
6 6 0 peak 2970 volume 47647612 hpm1 42.069 ppm1 0.959 ppm2 7.955
!# peak 2971-----------------------------------------------
assi (attr store1 < 7.886 and attr store1 > 7.766)
    ((attr store1 < 1.127 and attr store1 > 1.067)
     and bondedto (attr store1 < 42.693 and attr store1 > 41.493))
6 6 0 peak 2971 volume 132038208 hpm1 42.093 ppm1 1.097 ppm2 7.826
!# peak 2972-----------------------------------------------
assi (attr store1 < 7.688 and attr store1 > 7.568)
    ((attr store1 < 1.128 and attr store1 > 1.068)
     and bondedto (attr store1 < 42.690 and attr store1 > 41.490))
6 6 0 peak 2972 volume 124804304 hpm1 42.090 ppm1 1.098 ppm2 7.628
!# peak 2973-----------------------------------------------
assi (attr store1 < 7.606 and attr store1 > 7.486)
    ((attr store1 < 4.122 and attr store1 > 4.062)
     and bondedto (attr store1 < 42.685 and attr store1 > 41.485))
6 6 0 peak 2973 volume 117355304 hpm1 42.085 ppm1 4.092 ppm2 7.546
!# peak 2976-----------------------------------------------
assi (attr store1 < 7.233 and attr store1 > 7.113)
    ((attr store1 < 1.128 and attr store1 > 1.068)
     and bondedto (attr store1 < 42.691 and attr store1 > 41.491))
6 6 0 peak 2976 volume 81932512 hpm1 42.091 ppm1 1.098 ppm2 7.173
!# peak 2977-----------------------------------------------
assi (attr store1 < 7.201 and attr store1 > 7.081)
    ((attr store1 < 1.763 and attr store1 > 1.703)
     and bondedto (attr store1 < 42.659 and attr store1 > 41.459))
6 6 0 peak 2977 volume 108553000 hpm1 42.059 ppm1 1.733 ppm2 7.141
!# peak 2992-----------------------------------------------
assi (attr store1 < 5.151 and attr store1 > 5.031)
    ((attr store1 < 4.120 and attr store1 > 4.060)
     and bondedto (attr store1 < 42.686 and attr store1 > 41.486))
6 6 0 peak 2992 volume 195334496 hpm1 42.086 ppm1 4.090 ppm2 5.091
!# peak 2995-----------------------------------------------
assi (attr store1 < 4.787 and attr store1 > 4.667)
    ((attr store1 < 4.120 and attr store1 > 4.060)
     and bondedto (attr store1 < 42.685 and attr store1 > 41.485))
6 6 0 peak 2995 volume 260166592 hpm1 42.085 ppm1 4.090 ppm2 4.727
!# peak 2996-----------------------------------------------
assi (attr store1 < 4.786 and attr store1 > 4.666)
    ((attr store1 < 2.945 and attr store1 > 2.885)
     and bondedto (attr store1 < 42.685 and attr store1 > 41.485))
6 6 0 peak 2996 volume 250503808 hpm1 42.085 ppm1 2.915 ppm2 4.726
!# peak 2998-----------------------------------------------
assi (attr store1 < 4.608 and attr store1 > 4.488)
    ((attr store1 < 4.120 and attr store1 > 4.060)
     and bondedto (attr store1 < 42.689 and attr store1 > 41.489))
6 6 0 peak 2998 volume 483981408 hpm1 42.089 ppm1 4.090 ppm2 4.548
!# peak 3001-----------------------------------------------
assi (attr store1 < 4.528 and attr store1 > 4.408)
    ((attr store1 < 1.126 and attr store1 > 1.066)
     and bondedto (attr store1 < 42.699 and attr store1 > 41.499))
6 6 0 peak 3001 volume 33929508 hpm1 42.099 ppm1 1.096 ppm2 4.468
!# peak 3003-----------------------------------------------
assi (attr store1 < 4.239 and attr store1 > 4.119)
    ((attr store1 < 0.989 and attr store1 > 0.929)
     and bondedto (attr store1 < 42.661 and attr store1 > 41.461))
6 6 0 peak 3003 volume 32270970 hpm1 42.061 ppm1 0.959 ppm2 4.179
!# peak 3010-----------------------------------------------
assi (attr store1 < 4.109 and attr store1 > 3.989)
    ((attr store1 < 2.945 and attr store1 > 2.885)
     and bondedto (attr store1 < 42.673 and attr store1 > 41.473))
6 6 0 peak 3010 volume 154985504 hpm1 42.073 ppm1 2.915 ppm2 4.049
!# peak 3011-----------------------------------------------
assi (attr store1 < 4.103 and attr store1 > 3.983)
    ((attr store1 < 1.127 and attr store1 > 1.067)
     and bondedto (attr store1 < 42.692 and attr store1 > 41.492))
6 6 0 peak 3011 volume 452129504 hpm1 42.092 ppm1 1.097 ppm2 4.043
!# peak 3012-----------------------------------------------
assi (attr store1 < 3.932 and attr store1 > 3.812)
    ((attr store1 < 1.783 and attr store1 > 1.723)
     and bondedto (attr store1 < 42.665 and attr store1 > 41.465))
6 6 0 peak 3012 volume 1213447936 hpm1 42.065 ppm1 1.753 ppm2 3.872
!# peak 3013-----------------------------------------------
assi (attr store1 < 3.787 and attr store1 > 3.667)
    ((attr store1 < 0.991 and attr store1 > 0.931)
     and bondedto (attr store1 < 42.667 and attr store1 > 41.467))
6 6 0 peak 3013 volume 246549200 hpm1 42.067 ppm1 0.961 ppm2 3.727
!# peak 3014-----------------------------------------------
assi (attr store1 < 3.689 and attr store1 > 3.569)
    ((attr store1 < 1.128 and attr store1 > 1.068)
     and bondedto (attr store1 < 42.698 and attr store1 > 41.498))
6 6 0 peak 3014 volume 22081800 hpm1 42.098 ppm1 1.098 ppm2 3.629
!# peak 3015-----------------------------------------------
assi (attr store1 < 3.432 and attr store1 > 3.312)
    ((attr store1 < 1.128 and attr store1 > 1.068)
     and bondedto (attr store1 < 42.675 and attr store1 > 41.475))
6 6 0 peak 3015 volume 35083440 hpm1 42.075 ppm1 1.098 ppm2 3.372
!# peak 3016-----------------------------------------------
assi (attr store1 < 3.296 and attr store1 > 3.176)
    ((attr store1 < 0.989 and attr store1 > 0.929)
     and bondedto (attr store1 < 42.656 and attr store1 > 41.456))
6 6 0 peak 3016 volume 64503092 hpm1 42.056 ppm1 0.959 ppm2 3.236
!# peak 3041-----------------------------------------------
assi (attr store1 < 2.647 and attr store1 > 2.527)
    ((attr store1 < 0.992 and attr store1 > 0.932)
     and bondedto (attr store1 < 42.669 and attr store1 > 41.469))
6 6 0 peak 3041 volume 53479660 hpm1 42.069 ppm1 0.962 ppm2 2.587
!# peak 3045-----------------------------------------------
assi (attr store1 < 2.156 and attr store1 > 2.036)
    ((attr store1 < 1.132 and attr store1 > 1.072)
     and bondedto (attr store1 < 42.692 and attr store1 > 41.492))
6 6 0 peak 3045 volume 934369600 hpm1 42.092 ppm1 1.102 ppm2 2.096
!# peak 3046-----------------------------------------------
assi (attr store1 < 2.196 and attr store1 > 2.076)
    ((attr store1 < 2.945 and attr store1 > 2.885)
     and bondedto (attr store1 < 42.696 and attr store1 > 41.496))
6 6 0 peak 3046 volume 188610000 hpm1 42.096 ppm1 2.915 ppm2 2.136
!# peak 3047-----------------------------------------------
assi (attr store1 < 2.203 and attr store1 > 2.083)
    ((attr store1 < 0.989 and attr store1 > 0.929)
     and bondedto (attr store1 < 42.663 and attr store1 > 41.463))
6 6 0 peak 3047 volume 106507800 hpm1 42.063 ppm1 0.959 ppm2 2.143
!# peak 3048-----------------------------------------------
assi (attr store1 < 2.014 and attr store1 > 1.894)
    ((attr store1 < 3.060 and attr store1 > 3.000)
     and bondedto (attr store1 < 42.675 and attr store1 > 41.475))
6 6 0 peak 3048 volume 220854000 hpm1 42.075 ppm1 3.030 ppm2 1.954
!# peak 3049-----------------------------------------------
assi (attr store1 < 2.015 and attr store1 > 1.895)
    ((attr store1 < 0.990 and attr store1 > 0.930)
     and bondedto (attr store1 < 42.662 and attr store1 > 41.462))
6 6 0 peak 3049 volume 299079584 hpm1 42.062 ppm1 0.960 ppm2 1.955
!# peak 3050-----------------------------------------------
assi (attr store1 < 1.966 and attr store1 > 1.846)
    ((attr store1 < 2.958 and attr store1 > 2.898)
     and bondedto (attr store1 < 42.678 and attr store1 > 41.478))
6 6 0 peak 3050 volume 275305376 hpm1 42.078 ppm1 2.928 ppm2 1.906
!# peak 3051-----------------------------------------------
assi (attr store1 < 1.795 and attr store1 > 1.675)
    ((attr store1 < 3.058 and attr store1 > 2.998)
     and bondedto (attr store1 < 42.665 and attr store1 > 41.465))
6 6 0 peak 3051 volume 449764192 hpm1 42.065 ppm1 3.028 ppm2 1.735
!# peak 3052-----------------------------------------------
assi (attr store1 < 1.798 and attr store1 > 1.678)
    ((attr store1 < 1.127 and attr store1 > 1.067)
     and bondedto (attr store1 < 42.689 and attr store1 > 41.489))
6 6 0 peak 3052 volume 511980704 hpm1 42.089 ppm1 1.097 ppm2 1.738
!# peak 3053-----------------------------------------------
assi (attr store1 < 1.705 and attr store1 > 1.585)
    ((attr store1 < 2.957 and attr store1 > 2.897)
     and bondedto (attr store1 < 42.682 and attr store1 > 41.482))
6 6 0 peak 3053 volume 1140199040 hpm1 42.082 ppm1 2.927 ppm2 1.645
!# peak 3054-----------------------------------------------
assi (attr store1 < 1.704 and attr store1 > 1.584)
    ((attr store1 < 0.989 and attr store1 > 0.929)
     and bondedto (attr store1 < 42.666 and attr store1 > 41.466))
6 6 0 peak 3054 volume 404686400 hpm1 42.066 ppm1 0.959 ppm2 1.644
!# peak 3055-----------------------------------------------
assi (attr store1 < 1.565 and attr store1 > 1.445)
    ((attr store1 < 1.128 and attr store1 > 1.068)
     and bondedto (attr store1 < 42.693 and attr store1 > 41.493))
6 6 0 peak 3055 volume 540176960 hpm1 42.093 ppm1 1.098 ppm2 1.505
!# peak 3056-----------------------------------------------
assi (attr store1 < 1.520 and attr store1 > 1.400)
    ((attr store1 < 3.058 and attr store1 > 2.998)
     and bondedto (attr store1 < 42.660 and attr store1 > 41.460))
6 6 0 peak 3056 volume 160081888 hpm1 42.060 ppm1 3.028 ppm2 1.460
!# peak 3057-----------------------------------------------
assi (attr store1 < 1.511 and attr store1 > 1.391)
    ((attr store1 < 2.959 and attr store1 > 2.899)
     and bondedto (attr store1 < 42.684 and attr store1 > 41.484))
6 6 0 peak 3057 volume 485763296 hpm1 42.084 ppm1 2.929 ppm2 1.451
!# peak 3058-----------------------------------------------
assi (attr store1 < 1.376 and attr store1 > 1.256)
    ((attr store1 < 1.127 and attr store1 > 1.067)
     and bondedto (attr store1 < 42.692 and attr store1 > 41.492))
6 6 0 peak 3058 volume 555030720 hpm1 42.092 ppm1 1.097 ppm2 1.316
!# peak 3062-----------------------------------------------
assi (attr store1 < 1.056 and attr store1 > 0.936)
    ((attr store1 < 2.944 and attr store1 > 2.884)
     and bondedto (attr store1 < 42.677 and attr store1 > 41.477))
6 6 0 peak 3062 volume 109578400 hpm1 42.077 ppm1 2.914 ppm2 0.996
!# peak 3067-----------------------------------------------
assi (attr store1 < 0.841 and attr store1 > 0.721)
    ((attr store1 < 2.961 and attr store1 > 2.901)
     and bondedto (attr store1 < 42.683 and attr store1 > 41.483))
6 6 0 peak 3067 volume 68137376 hpm1 42.083 ppm1 2.931 ppm2 0.781
!# peak 3068-----------------------------------------------
assi (attr store1 < 0.780 and attr store1 > 0.660)
    ((attr store1 < 1.127 and attr store1 > 1.067)
     and bondedto (attr store1 < 42.690 and attr store1 > 41.490))
6 6 0 peak 3068 volume 680271936 hpm1 42.090 ppm1 1.097 ppm2 0.720
!# peak 3069-----------------------------------------------
assi (attr store1 < 0.698 and attr store1 > 0.578)
    ((attr store1 < 0.986 and attr store1 > 0.926)
     and bondedto (attr store1 < 42.664 and attr store1 > 41.464))
6 6 0 peak 3069 volume 87023688 hpm1 42.064 ppm1 0.956 ppm2 0.638
!# peak 3070-----------------------------------------------
assi (attr store1 < 0.607 and attr store1 > 0.487)
    ((attr store1 < 1.777 and attr store1 > 1.717)
     and bondedto (attr store1 < 42.656 and attr store1 > 41.456))
6 6 0 peak 3070 volume 821843712 hpm1 42.056 ppm1 1.747 ppm2 0.547
!# peak 3071-----------------------------------------------
assi (attr store1 < 0.513 and attr store1 > 0.393)
    ((attr store1 < 1.128 and attr store1 > 1.068)
     and bondedto (attr store1 < 42.680 and attr store1 > 41.480))
6 6 0 peak 3071 volume 16844760 hpm1 42.080 ppm1 1.098 ppm2 0.453
!# peak 3072-----------------------------------------------
assi (attr store1 < 0.430 and attr store1 > 0.310)
    ((attr store1 < 1.779 and attr store1 > 1.719)
     and bondedto (attr store1 < 42.661 and attr store1 > 41.461))
6 6 0 peak 3072 volume 490468288 hpm1 42.061 ppm1 1.749 ppm2 0.370
!# peak 3073-----------------------------------------------
assi (attr store1 < 0.333 and attr store1 > 0.213)
    ((attr store1 < 1.125 and attr store1 > 1.065)
     and bondedto (attr store1 < 42.685 and attr store1 > 41.485))
6 6 0 peak 3073 volume 64131188 hpm1 42.085 ppm1 1.095 ppm2 0.273
!# peak 3074-----------------------------------------------
assi (attr store1 < 0.330 and attr store1 > 0.210)
    ((attr store1 < 0.989 and attr store1 > 0.929)
     and bondedto (attr store1 < 42.661 and attr store1 > 41.461))
6 6 0 peak 3074 volume 131301896 hpm1 42.061 ppm1 0.959 ppm2 0.270
!# peak 3075-----------------------------------------------
assi (attr store1 < 0.161 and attr store1 > 0.041)
    ((attr store1 < 1.128 and attr store1 > 1.068)
     and bondedto (attr store1 < 42.686 and attr store1 > 41.486))
6 6 0 peak 3075 volume 65913152 hpm1 42.086 ppm1 1.098 ppm2 0.101
!# peak 3076-----------------------------------------------
assi (attr store1 < -0.172 and attr store1 > -0.292)
    ((attr store1 < 4.118 and attr store1 > 4.058)
     and bondedto (attr store1 < 42.688 and attr store1 > 41.488))
6 6 0 peak 3076 volume 39730240 hpm1 42.088 ppm1 4.088 ppm2 -0.232
!# peak 3078-----------------------------------------------
assi (attr store1 < 8.574 and attr store1 > 8.454)
    ((attr store1 < 1.763 and attr store1 > 1.703)
     and bondedto (attr store1 < 42.513 and attr store1 > 41.313))
6 6 0 peak 3078 volume 345836896 hpm1 41.913 ppm1 1.733 ppm2 8.514
!# peak 3079-----------------------------------------------
assi (attr store1 < 8.333 and attr store1 > 8.213)
    ((attr store1 < 1.762 and attr store1 > 1.702)
     and bondedto (attr store1 < 42.512 and attr store1 > 41.312))
6 6 0 peak 3079 volume 119875000 hpm1 41.912 ppm1 1.732 ppm2 8.273
!# peak 3080-----------------------------------------------
assi (attr store1 < 8.292 and attr store1 > 8.172)
    ((attr store1 < 1.394 and attr store1 > 1.334)
     and bondedto (attr store1 < 42.469 and attr store1 > 41.269))
6 6 0 peak 3080 volume 194686096 hpm1 41.869 ppm1 1.364 ppm2 8.232
!# peak 3082-----------------------------------------------
assi (attr store1 < 7.843 and attr store1 > 7.723)
    ((attr store1 < 1.670 and attr store1 > 1.610)
     and bondedto (attr store1 < 42.499 and attr store1 > 41.299))
6 6 0 peak 3082 volume 146507792 hpm1 41.899 ppm1 1.640 ppm2 7.783
!# peak 3083-----------------------------------------------
assi (attr store1 < 7.830 and attr store1 > 7.710)
    ((attr store1 < 1.550 and attr store1 > 1.490)
     and bondedto (attr store1 < 42.471 and attr store1 > 41.271))
6 6 0 peak 3083 volume 121285104 hpm1 41.871 ppm1 1.520 ppm2 7.770
!# peak 3084-----------------------------------------------
assi (attr store1 < 7.830 and attr store1 > 7.710)
    ((attr store1 < 1.393 and attr store1 > 1.333)
     and bondedto (attr store1 < 42.471 and attr store1 > 41.271))
6 6 0 peak 3084 volume 199593504 hpm1 41.871 ppm1 1.363 ppm2 7.770
!# peak 3085-----------------------------------------------
assi (attr store1 < 7.790 and attr store1 > 7.670)
    ((attr store1 < 1.782 and attr store1 > 1.722)
     and bondedto (attr store1 < 42.495 and attr store1 > 41.295))
6 6 0 peak 3085 volume 793384384 hpm1 41.895 ppm1 1.752 ppm2 7.730
!# peak 3086-----------------------------------------------
assi (attr store1 < 7.570 and attr store1 > 7.450)
    ((attr store1 < 1.803 and attr store1 > 1.743)
     and bondedto (attr store1 < 42.485 and attr store1 > 41.285))
6 6 0 peak 3086 volume 98679264 hpm1 41.885 ppm1 1.773 ppm2 7.510
!# peak 3087-----------------------------------------------
assi (attr store1 < 7.212 and attr store1 > 7.092)
    ((attr store1 < 0.983 and attr store1 > 0.923)
     and bondedto (attr store1 < 42.533 and attr store1 > 41.333))
6 6 0 peak 3087 volume 15359659 hpm1 41.933 ppm1 0.953 ppm2 7.152
!# peak 3088-----------------------------------------------
assi (attr store1 < 7.017 and attr store1 > 6.897)
    ((attr store1 < 1.666 and attr store1 > 1.606)
     and bondedto (attr store1 < 42.494 and attr store1 > 41.294))
6 6 0 peak 3088 volume 91274264 hpm1 41.894 ppm1 1.636 ppm2 6.957
!# peak 3090-----------------------------------------------
assi (attr store1 < 4.483 and attr store1 > 4.363)
    ((attr store1 < 1.783 and attr store1 > 1.723)
     and bondedto (attr store1 < 42.480 and attr store1 > 41.280))
6 6 0 peak 3090 volume 608581888 hpm1 41.880 ppm1 1.753 ppm2 4.423
!# peak 3093-----------------------------------------------
assi (attr store1 < 4.303 and attr store1 > 4.183)
    ((attr store1 < 1.396 and attr store1 > 1.336)
     and bondedto (attr store1 < 42.470 and attr store1 > 41.270))
6 6 0 peak 3093 volume 94981440 hpm1 41.870 ppm1 1.366 ppm2 4.243
!# peak 3096-----------------------------------------------
assi (attr store1 < 3.925 and attr store1 > 3.805)
    ((attr store1 < 1.688 and attr store1 > 1.628)
     and bondedto (attr store1 < 42.511 and attr store1 > 41.311))
6 6 0 peak 3096 volume 445544608 hpm1 41.911 ppm1 1.658 ppm2 3.865
!# peak 3102-----------------------------------------------
assi (attr store1 < 2.522 and attr store1 > 2.402)
    ((attr store1 < 1.783 and attr store1 > 1.723)
     and bondedto (attr store1 < 42.480 and attr store1 > 41.280))
6 6 0 peak 3102 volume 86637656 hpm1 41.880 ppm1 1.753 ppm2 2.462
!# peak 3104-----------------------------------------------
assi (attr store1 < 2.164 and attr store1 > 2.044)
    ((attr store1 < 2.353 and attr store1 > 2.293)
     and bondedto (attr store1 < 42.493 and attr store1 > 41.293))
6 6 0 peak 3104 volume 127609104 hpm1 41.893 ppm1 2.323 ppm2 2.104
!# peak 3111-----------------------------------------------
assi (attr store1 < 0.836 and attr store1 > 0.716)
    ((attr store1 < 1.553 and attr store1 > 1.493)
     and bondedto (attr store1 < 42.473 and attr store1 > 41.273))
6 6 0 peak 3111 volume 807167296 hpm1 41.873 ppm1 1.523 ppm2 0.776
!# peak 3113-----------------------------------------------
assi (attr store1 < 0.607 and attr store1 > 0.487)
    ((attr store1 < 1.687 and attr store1 > 1.627)
     and bondedto (attr store1 < 42.508 and attr store1 > 41.308))
6 6 0 peak 3113 volume 326477184 hpm1 41.908 ppm1 1.657 ppm2 0.547
!# peak 3118-----------------------------------------------
assi (attr store1 < 8.579 and attr store1 > 8.459)
    ((attr store1 < 3.395 and attr store1 > 3.335)
     and bondedto (attr store1 < 42.290 and attr store1 > 41.090))
6 6 0 peak 3118 volume 60744620 hpm1 41.690 ppm1 3.365 ppm2 8.519
!# peak 3119-----------------------------------------------
assi (attr store1 < 8.287 and attr store1 > 8.167)
    ((attr store1 < 1.559 and attr store1 > 1.499)
     and bondedto (attr store1 < 42.326 and attr store1 > 41.126))
6 6 0 peak 3119 volume 594377408 hpm1 41.726 ppm1 1.529 ppm2 8.227
!# peak 3120-----------------------------------------------
assi (attr store1 < 8.108 and attr store1 > 7.988)
    ((attr store1 < 1.645 and attr store1 > 1.585)
     and bondedto (attr store1 < 42.303 and attr store1 > 41.103))
6 6 0 peak 3120 volume 561159360 hpm1 41.703 ppm1 1.615 ppm2 8.048
!# peak 3121-----------------------------------------------
assi (attr store1 < 8.113 and attr store1 > 7.993)
    ((attr store1 < 1.488 and attr store1 > 1.428)
     and bondedto (attr store1 < 42.307 and attr store1 > 41.107))
6 6 0 peak 3121 volume 171080896 hpm1 41.707 ppm1 1.458 ppm2 8.053
!# peak 3123-----------------------------------------------
assi (attr store1 < 7.431 and attr store1 > 7.311)
    ((attr store1 < 1.647 and attr store1 > 1.587)
     and bondedto (attr store1 < 42.312 and attr store1 > 41.112))
6 6 0 peak 3123 volume 66757260 hpm1 41.712 ppm1 1.617 ppm2 7.371
!# peak 3124-----------------------------------------------
assi (attr store1 < 7.428 and attr store1 > 7.308)
    ((attr store1 < 1.488 and attr store1 > 1.428)
     and bondedto (attr store1 < 42.309 and attr store1 > 41.109))
6 6 0 peak 3124 volume 55964928 hpm1 41.709 ppm1 1.458 ppm2 7.368
!# peak 3126-----------------------------------------------
assi (attr store1 < 7.325 and attr store1 > 7.205)
    ((attr store1 < 2.422 and attr store1 > 2.362)
     and bondedto (attr store1 < 42.280 and attr store1 > 41.080))
6 6 0 peak 3126 volume 200683904 hpm1 41.680 ppm1 2.392 ppm2 7.265
!# peak 3127-----------------------------------------------
assi (attr store1 < 7.198 and attr store1 > 7.078)
    ((attr store1 < 1.647 and attr store1 > 1.587)
     and bondedto (attr store1 < 42.320 and attr store1 > 41.120))
6 6 0 peak 3127 volume 159695600 hpm1 41.720 ppm1 1.617 ppm2 7.138
!# peak 3128-----------------------------------------------
assi (attr store1 < 7.198 and attr store1 > 7.078)
    ((attr store1 < 1.485 and attr store1 > 1.425)
     and bondedto (attr store1 < 42.303 and attr store1 > 41.103))
6 6 0 peak 3128 volume 122223800 hpm1 41.703 ppm1 1.455 ppm2 7.138
!# peak 3135-----------------------------------------------
assi (attr store1 < 4.610 and attr store1 > 4.490)
    ((attr store1 < 1.593 and attr store1 > 1.533)
     and bondedto (attr store1 < 42.295 and attr store1 > 41.095))
6 6 0 peak 3135 volume 190208112 hpm1 41.695 ppm1 1.563 ppm2 4.550
!# peak 3138-----------------------------------------------
assi (attr store1 < 3.836 and attr store1 > 3.716)
    ((attr store1 < 2.830 and attr store1 > 2.770)
     and bondedto (attr store1 < 42.282 and attr store1 > 41.082))
6 6 0 peak 3138 volume 51376064 hpm1 41.682 ppm1 2.800 ppm2 3.776
!# peak 3139-----------------------------------------------
assi (attr store1 < 3.838 and attr store1 > 3.718)
    ((attr store1 < 2.420 and attr store1 > 2.360)
     and bondedto (attr store1 < 42.288 and attr store1 > 41.088))
6 6 0 peak 3139 volume 124130000 hpm1 41.688 ppm1 2.390 ppm2 3.778
!# peak 3142-----------------------------------------------
assi (attr store1 < 3.481 and attr store1 > 3.361)
    ((attr store1 < 2.418 and attr store1 > 2.358)
     and bondedto (attr store1 < 42.289 and attr store1 > 41.089))
6 6 0 peak 3142 volume 5207818 hpm1 41.689 ppm1 2.388 ppm2 3.421
!# peak 3145-----------------------------------------------
assi (attr store1 < 1.872 and attr store1 > 1.752)
    ((attr store1 < 2.830 and attr store1 > 2.770)
     and bondedto (attr store1 < 42.282 and attr store1 > 41.082))
6 6 0 peak 3145 volume 89153352 hpm1 41.682 ppm1 2.800 ppm2 1.812
!# peak 3146-----------------------------------------------
assi (attr store1 < 1.874 and attr store1 > 1.754)
    ((attr store1 < 2.422 and attr store1 > 2.362)
     and bondedto (attr store1 < 42.287 and attr store1 > 41.087))
6 6 0 peak 3146 volume 103003200 hpm1 41.687 ppm1 2.392 ppm2 1.814
!# peak 3156-----------------------------------------------
assi (attr store1 < 1.196 and attr store1 > 1.076)
    ((attr store1 < 1.550 and attr store1 > 1.490)
     and bondedto (attr store1 < 42.329 and attr store1 > 41.129))
6 6 0 peak 3156 volume 341436288 hpm1 41.729 ppm1 1.520 ppm2 1.136
!# peak 3157-----------------------------------------------
assi (attr store1 < 1.198 and attr store1 > 1.078)
    ((attr store1 < 1.391 and attr store1 > 1.331)
     and bondedto (attr store1 < 42.316 and attr store1 > 41.116))
6 6 0 peak 3157 volume 400382784 hpm1 41.716 ppm1 1.361 ppm2 1.138
!# peak 3159-----------------------------------------------
assi (attr store1 < 0.841 and attr store1 > 0.721)
    ((attr store1 < 1.394 and attr store1 > 1.334)
     and bondedto (attr store1 < 42.315 and attr store1 > 41.115))
6 6 0 peak 3159 volume 1219416064 hpm1 41.715 ppm1 1.364 ppm2 0.781
!# peak 3160-----------------------------------------------
assi (attr store1 < 0.780 and attr store1 > 0.660)
    ((attr store1 < 1.644 and attr store1 > 1.584)
     and bondedto (attr store1 < 42.315 and attr store1 > 41.115))
6 6 0 peak 3160 volume 634676864 hpm1 41.715 ppm1 1.614 ppm2 0.720
!# peak 3162-----------------------------------------------
assi (attr store1 < 0.467 and attr store1 > 0.347)
    ((attr store1 < 1.646 and attr store1 > 1.586)
     and bondedto (attr store1 < 42.318 and attr store1 > 41.118))
6 6 0 peak 3162 volume 516942784 hpm1 41.718 ppm1 1.616 ppm2 0.407
!# peak 3163-----------------------------------------------
assi (attr store1 < 0.474 and attr store1 > 0.354)
    ((attr store1 < 1.483 and attr store1 > 1.423)
     and bondedto (attr store1 < 42.304 and attr store1 > 41.104))
6 6 0 peak 3163 volume 412996800 hpm1 41.704 ppm1 1.453 ppm2 0.414
!# peak 3166-----------------------------------------------
assi (attr store1 < 8.748 and attr store1 > 8.628)
    ((attr store1 < 3.417 and attr store1 > 3.357)
     and bondedto (attr store1 < 42.131 and attr store1 > 40.931))
6 6 0 peak 3166 volume 338309792 hpm1 41.531 ppm1 3.387 ppm2 8.688
!# peak 3167-----------------------------------------------
assi (attr store1 < 8.753 and attr store1 > 8.633)
    ((attr store1 < 2.778 and attr store1 > 2.718)
     and bondedto (attr store1 < 42.132 and attr store1 > 40.932))
6 6 0 peak 3167 volume 248885392 hpm1 41.532 ppm1 2.748 ppm2 8.693
!# peak 3169-----------------------------------------------
assi (attr store1 < 7.887 and attr store1 > 7.767)
    ((attr store1 < 3.417 and attr store1 > 3.357)
     and bondedto (attr store1 < 42.130 and attr store1 > 40.930))
6 6 0 peak 3169 volume 101629696 hpm1 41.530 ppm1 3.387 ppm2 7.827
!# peak 3171-----------------------------------------------
assi (attr store1 < 7.801 and attr store1 > 7.681)
    ((attr store1 < 2.399 and attr store1 > 2.339)
     and bondedto (attr store1 < 42.112 and attr store1 > 40.912))
6 6 0 peak 3171 volume 125841600 hpm1 41.512 ppm1 2.369 ppm2 7.741
!# peak 3172-----------------------------------------------
assi (attr store1 < 7.692 and attr store1 > 7.572)
    ((attr store1 < 3.417 and attr store1 > 3.357)
     and bondedto (attr store1 < 42.134 and attr store1 > 40.934))
6 6 0 peak 3172 volume 13458970 hpm1 41.534 ppm1 3.387 ppm2 7.632
!# peak 3173-----------------------------------------------
assi (attr store1 < 7.693 and attr store1 > 7.573)
    ((attr store1 < 2.764 and attr store1 > 2.704)
     and bondedto (attr store1 < 42.127 and attr store1 > 40.927))
6 6 0 peak 3173 volume 102164496 hpm1 41.527 ppm1 2.734 ppm2 7.633
!# peak 3175-----------------------------------------------
assi (attr store1 < 7.579 and attr store1 > 7.459)
    ((attr store1 < 2.378 and attr store1 > 2.318)
     and bondedto (attr store1 < 42.102 and attr store1 > 40.902))
6 6 0 peak 3175 volume 101459600 hpm1 41.502 ppm1 2.348 ppm2 7.519
!# peak 3178-----------------------------------------------
assi (attr store1 < 5.159 and attr store1 > 5.039)
    ((attr store1 < 3.417 and attr store1 > 3.357)
     and bondedto (attr store1 < 42.144 and attr store1 > 40.944))
6 6 0 peak 3178 volume 136747296 hpm1 41.544 ppm1 3.387 ppm2 5.099
!# peak 3179-----------------------------------------------
assi (attr store1 < 5.164 and attr store1 > 5.044)
    ((attr store1 < 2.779 and attr store1 > 2.719)
     and bondedto (attr store1 < 42.139 and attr store1 > 40.939))
6 6 0 peak 3179 volume 92383376 hpm1 41.539 ppm1 2.749 ppm2 5.104
!# peak 3181-----------------------------------------------
assi (attr store1 < 4.840 and attr store1 > 4.720)
    ((attr store1 < 2.831 and attr store1 > 2.771)
     and bondedto (attr store1 < 42.147 and attr store1 > 40.947))
6 6 0 peak 3181 volume 326644384 hpm1 41.547 ppm1 2.801 ppm2 4.780
!# peak 3182-----------------------------------------------
assi (attr store1 < 4.829 and attr store1 > 4.709)
    ((attr store1 < 2.418 and attr store1 > 2.358)
     and bondedto (attr store1 < 42.135 and attr store1 > 40.935))
6 6 0 peak 3182 volume 661172672 hpm1 41.535 ppm1 2.388 ppm2 4.769
!# peak 3183-----------------------------------------------
assi (attr store1 < 4.657 and attr store1 > 4.537)
    ((attr store1 < 3.417 and attr store1 > 3.357)
     and bondedto (attr store1 < 42.133 and attr store1 > 40.933))
6 6 0 peak 3183 volume 1247396992 hpm1 41.533 ppm1 3.387 ppm2 4.597
!# peak 3184-----------------------------------------------
assi (attr store1 < 4.660 and attr store1 > 4.540)
    ((attr store1 < 2.778 and attr store1 > 2.718)
     and bondedto (attr store1 < 42.131 and attr store1 > 40.931))
6 6 0 peak 3184 volume 1527378944 hpm1 41.531 ppm1 2.748 ppm2 4.600
!# peak 3185-----------------------------------------------
assi (attr store1 < 4.611 and attr store1 > 4.491)
    ((attr store1 < 2.394 and attr store1 > 2.334)
     and bondedto (attr store1 < 42.109 and attr store1 > 40.909))
6 6 0 peak 3185 volume 681211712 hpm1 41.509 ppm1 2.364 ppm2 4.551
!# peak 3202-----------------------------------------------
assi (attr store1 < 4.161 and attr store1 > 4.041)
    ((attr store1 < 2.413 and attr store1 > 2.353)
     and bondedto (attr store1 < 42.128 and attr store1 > 40.928))
6 6 0 peak 3202 volume 98803592 hpm1 41.528 ppm1 2.383 ppm2 4.101
!# peak 3206-----------------------------------------------
assi (attr store1 < 3.470 and attr store1 > 3.350)
    ((attr store1 < 2.778 and attr store1 > 2.718)
     and bondedto (attr store1 < 42.132 and attr store1 > 40.932))
6 6 0 peak 3206 volume 1099235968 hpm1 41.532 ppm1 2.748 ppm2 3.410
!# peak 3210-----------------------------------------------
assi (attr store1 < 2.887 and attr store1 > 2.767)
    ((attr store1 < 2.422 and attr store1 > 2.362)
     and bondedto (attr store1 < 42.147 and attr store1 > 40.947))
6 6 0 peak 3210 volume 1149924992 hpm1 41.547 ppm1 2.392 ppm2 2.827
!# peak 3211-----------------------------------------------
assi (attr store1 < 2.831 and attr store1 > 2.711)
    ((attr store1 < 3.418 and attr store1 > 3.358)
     and bondedto (attr store1 < 42.131 and attr store1 > 40.931))
6 6 0 peak 3211 volume 1420320000 hpm1 41.531 ppm1 3.388 ppm2 2.771
!# peak 3216-----------------------------------------------
assi (attr store1 < 2.476 and attr store1 > 2.356)
    ((attr store1 < 2.831 and attr store1 > 2.771)
     and bondedto (attr store1 < 42.147 and attr store1 > 40.947))
6 6 0 peak 3216 volume 1415092992 hpm1 41.547 ppm1 2.801 ppm2 2.416
!# peak 3218-----------------------------------------------
assi (attr store1 < 1.870 and attr store1 > 1.750)
    ((attr store1 < 0.779 and attr store1 > 0.719)
     and bondedto (attr store1 < 42.091 and attr store1 > 40.891))
6 6 0 peak 3218 volume 570833024 hpm1 41.491 ppm1 0.749 ppm2 1.810
!# peak 3221-----------------------------------------------
assi (attr store1 < 1.504 and attr store1 > 1.384)
    ((attr store1 < 3.417 and attr store1 > 3.357)
     and bondedto (attr store1 < 42.120 and attr store1 > 40.920))
6 6 0 peak 3221 volume 21185970 hpm1 41.520 ppm1 3.387 ppm2 1.444
!# peak 3222-----------------------------------------------
assi (attr store1 < 1.516 and attr store1 > 1.396)
    ((attr store1 < 2.829 and attr store1 > 2.769)
     and bondedto (attr store1 < 42.145 and attr store1 > 40.945))
6 6 0 peak 3222 volume 250879200 hpm1 41.545 ppm1 2.799 ppm2 1.456
!# peak 3223-----------------------------------------------
assi (attr store1 < 1.513 and attr store1 > 1.393)
    ((attr store1 < 2.420 and attr store1 > 2.360)
     and bondedto (attr store1 < 42.142 and attr store1 > 40.942))
6 6 0 peak 3223 volume 192796800 hpm1 41.542 ppm1 2.390 ppm2 1.453
!# peak 3227-----------------------------------------------
assi (attr store1 < 1.338 and attr store1 > 1.218)
    ((attr store1 < 3.417 and attr store1 > 3.357)
     and bondedto (attr store1 < 42.128 and attr store1 > 40.928))
6 6 0 peak 3227 volume 79488072 hpm1 41.528 ppm1 3.387 ppm2 1.278
!# peak 3228-----------------------------------------------
assi (attr store1 < 1.337 and attr store1 > 1.217)
    ((attr store1 < 2.777 and attr store1 > 2.717)
     and bondedto (attr store1 < 42.130 and attr store1 > 40.930))
6 6 0 peak 3228 volume 357584096 hpm1 41.530 ppm1 2.747 ppm2 1.277
!# peak 3229-----------------------------------------------
assi (attr store1 < 1.049 and attr store1 > 0.929)
    ((attr store1 < 2.830 and attr store1 > 2.770)
     and bondedto (attr store1 < 42.146 and attr store1 > 40.946))
6 6 0 peak 3229 volume 423938912 hpm1 41.546 ppm1 2.800 ppm2 0.989
!# peak 3230-----------------------------------------------
assi (attr store1 < 1.026 and attr store1 > 0.906)
    ((attr store1 < 2.420 and attr store1 > 2.360)
     and bondedto (attr store1 < 42.146 and attr store1 > 40.946))
6 6 0 peak 3230 volume 200738208 hpm1 41.546 ppm1 2.390 ppm2 0.966
!# peak 3238-----------------------------------------------
assi (attr store1 < 9.142 and attr store1 > 9.022)
    ((attr store1 < 0.802 and attr store1 > 0.742)
     and bondedto (attr store1 < 41.924 and attr store1 > 40.724))
6 6 0 peak 3238 volume 317224416 hpm1 41.324 ppm1 0.772 ppm2 9.082
!# peak 3239-----------------------------------------------
assi (attr store1 < 8.558 and attr store1 > 8.438)
    ((attr store1 < 0.803 and attr store1 > 0.743)
     and bondedto (attr store1 < 41.923 and attr store1 > 40.723))
6 6 0 peak 3239 volume 153218592 hpm1 41.323 ppm1 0.773 ppm2 8.498
!# peak 3240-----------------------------------------------
assi (attr store1 < 8.376 and attr store1 > 8.256)
    ((attr store1 < 0.782 and attr store1 > 0.722)
     and bondedto (attr store1 < 41.956 and attr store1 > 40.756))
6 6 0 peak 3240 volume 37225060 hpm1 41.356 ppm1 0.752 ppm2 8.316
!# peak 3241-----------------------------------------------
assi (attr store1 < 7.971 and attr store1 > 7.851)
    ((attr store1 < 1.781 and attr store1 > 1.721)
     and bondedto (attr store1 < 41.939 and attr store1 > 40.739))
6 6 0 peak 3241 volume 668603136 hpm1 41.339 ppm1 1.751 ppm2 7.911
!# peak 3242-----------------------------------------------
assi (attr store1 < 7.887 and attr store1 > 7.767)
    ((attr store1 < 0.802 and attr store1 > 0.742)
     and bondedto (attr store1 < 41.914 and attr store1 > 40.714))
6 6 0 peak 3242 volume 51348180 hpm1 41.314 ppm1 0.772 ppm2 7.827
!# peak 3243-----------------------------------------------
assi (attr store1 < 7.663 and attr store1 > 7.543)
    ((attr store1 < 0.777 and attr store1 > 0.717)
     and bondedto (attr store1 < 41.962 and attr store1 > 40.762))
6 6 0 peak 3243 volume 68303016 hpm1 41.362 ppm1 0.747 ppm2 7.603
!# peak 3244-----------------------------------------------
assi (attr store1 < 7.343 and attr store1 > 7.223)
    ((attr store1 < 0.804 and attr store1 > 0.744)
     and bondedto (attr store1 < 41.922 and attr store1 > 40.722))
6 6 0 peak 3244 volume 170478400 hpm1 41.322 ppm1 0.774 ppm2 7.283
!# peak 3245-----------------------------------------------
assi (attr store1 < 6.929 and attr store1 > 6.809)
    ((attr store1 < 0.803 and attr store1 > 0.743)
     and bondedto (attr store1 < 41.920 and attr store1 > 40.720))
6 6 0 peak 3245 volume 166789696 hpm1 41.320 ppm1 0.773 ppm2 6.869
!# peak 3250-----------------------------------------------
assi (attr store1 < 6.606 and attr store1 > 6.486)
    ((attr store1 < 0.802 and attr store1 > 0.742)
     and bondedto (attr store1 < 41.923 and attr store1 > 40.723))
6 6 0 peak 3250 volume 90743120 hpm1 41.323 ppm1 0.772 ppm2 6.546
!# peak 3255-----------------------------------------------
assi (attr store1 < 4.784 and attr store1 > 4.664)
    ((attr store1 < 1.779 and attr store1 > 1.719)
     and bondedto (attr store1 < 41.930 and attr store1 > 40.730))
6 6 0 peak 3255 volume 157676704 hpm1 41.330 ppm1 1.749 ppm2 4.724
!# peak 3256-----------------------------------------------
assi (attr store1 < 4.785 and attr store1 > 4.665)
    ((attr store1 < 1.352 and attr store1 > 1.292)
     and bondedto (attr store1 < 41.930 and attr store1 > 40.730))
6 6 0 peak 3256 volume 155353792 hpm1 41.330 ppm1 1.322 ppm2 4.725
!# peak 3257-----------------------------------------------
assi (attr store1 < 4.159 and attr store1 > 4.039)
    ((attr store1 < 0.779 and attr store1 > 0.719)
     and bondedto (attr store1 < 41.960 and attr store1 > 40.760))
6 6 0 peak 3257 volume 298763616 hpm1 41.360 ppm1 0.749 ppm2 4.099
!# peak 3260-----------------------------------------------
assi (attr store1 < 3.709 and attr store1 > 3.589)
    ((attr store1 < 0.802 and attr store1 > 0.742)
     and bondedto (attr store1 < 41.919 and attr store1 > 40.719))
6 6 0 peak 3260 volume 39132668 hpm1 41.319 ppm1 0.772 ppm2 3.649
!# peak 3263-----------------------------------------------
assi (attr store1 < 3.458 and attr store1 > 3.338)
    ((attr store1 < 1.351 and attr store1 > 1.291)
     and bondedto (attr store1 < 41.930 and attr store1 > 40.730))
6 6 0 peak 3263 volume 117931400 hpm1 41.330 ppm1 1.321 ppm2 3.398
!# peak 3264-----------------------------------------------
assi (attr store1 < 3.337 and attr store1 > 3.217)
    ((attr store1 < 0.802 and attr store1 > 0.742)
     and bondedto (attr store1 < 41.923 and attr store1 > 40.723))
6 6 0 peak 3264 volume 282731072 hpm1 41.323 ppm1 0.772 ppm2 3.277
!# peak 3265-----------------------------------------------
assi (attr store1 < 2.931 and attr store1 > 2.811)
    ((attr store1 < 0.802 and attr store1 > 0.742)
     and bondedto (attr store1 < 41.924 and attr store1 > 40.724))
6 6 0 peak 3265 volume 431377888 hpm1 41.324 ppm1 0.772 ppm2 2.871
!# peak 3270-----------------------------------------------
assi (attr store1 < 1.427 and attr store1 > 1.307)
    ((attr store1 < 0.779 and attr store1 > 0.719)
     and bondedto (attr store1 < 41.961 and attr store1 > 40.761))
6 6 0 peak 3270 volume 165150112 hpm1 41.361 ppm1 0.749 ppm2 1.367
!# peak 3272-----------------------------------------------
assi (attr store1 < 1.112 and attr store1 > 0.992)
    ((attr store1 < 0.780 and attr store1 > 0.720)
     and bondedto (attr store1 < 41.949 and attr store1 > 40.749))
6 6 0 peak 3272 volume 275453600 hpm1 41.349 ppm1 0.750 ppm2 1.052
!# peak 3277-----------------------------------------------
assi (attr store1 < 0.841 and attr store1 > 0.721)
    ((attr store1 < 0.498 and attr store1 > 0.438)
     and bondedto (attr store1 < 41.941 and attr store1 > 40.741))
6 6 0 peak 3277 volume 199865504 hpm1 41.341 ppm1 0.468 ppm2 0.781
!# peak 3279-----------------------------------------------
assi (attr store1 < 0.700 and attr store1 > 0.580)
    ((attr store1 < 1.351 and attr store1 > 1.291)
     and bondedto (attr store1 < 41.929 and attr store1 > 40.729))
6 6 0 peak 3279 volume 401811296 hpm1 41.329 ppm1 1.321 ppm2 0.640
!# peak 3280-----------------------------------------------
assi (attr store1 < 0.471 and attr store1 > 0.351)
    ((attr store1 < 0.802 and attr store1 > 0.742)
     and bondedto (attr store1 < 41.921 and attr store1 > 40.721))
6 6 0 peak 3280 volume 572886720 hpm1 41.321 ppm1 0.772 ppm2 0.411
!# peak 3283-----------------------------------------------
assi (attr store1 < 0.244 and attr store1 > 0.124)
    ((attr store1 < 0.802 and attr store1 > 0.742)
     and bondedto (attr store1 < 41.924 and attr store1 > 40.724))
6 6 0 peak 3283 volume 118373104 hpm1 41.324 ppm1 0.772 ppm2 0.184
!# peak 3284-----------------------------------------------
assi (attr store1 < 9.464 and attr store1 > 9.344)
    ((attr store1 < 3.010 and attr store1 > 2.950)
     and bondedto (attr store1 < 41.761 and attr store1 > 40.561))
6 6 0 peak 3284 volume 89426616 hpm1 41.161 ppm1 2.980 ppm2 9.404
!# peak 3285-----------------------------------------------
assi (attr store1 < 9.464 and attr store1 > 9.344)
    ((attr store1 < 2.696 and attr store1 > 2.636)
     and bondedto (attr store1 < 41.763 and attr store1 > 40.563))
6 6 0 peak 3285 volume 76892648 hpm1 41.163 ppm1 2.666 ppm2 9.404
!# peak 3286-----------------------------------------------
assi (attr store1 < 8.510 and attr store1 > 8.390)
    ((attr store1 < 2.694 and attr store1 > 2.634)
     and bondedto (attr store1 < 41.764 and attr store1 > 40.564))
6 6 0 peak 3286 volume 185559008 hpm1 41.164 ppm1 2.664 ppm2 8.450
!# peak 3287-----------------------------------------------
assi (attr store1 < 8.107 and attr store1 > 7.987)
    ((attr store1 < 0.410 and attr store1 > 0.350)
     and bondedto (attr store1 < 41.742 and attr store1 > 40.542))
6 6 0 peak 3287 volume 49143948 hpm1 41.142 ppm1 0.380 ppm2 8.047
!# peak 3289-----------------------------------------------
assi (attr store1 < 8.019 and attr store1 > 7.899)
    ((attr store1 < 1.894 and attr store1 > 1.834)
     and bondedto (attr store1 < 41.750 and attr store1 > 40.550))
6 6 0 peak 3289 volume 652875392 hpm1 41.150 ppm1 1.864 ppm2 7.959
!# peak 3290-----------------------------------------------
assi (attr store1 < 8.024 and attr store1 > 7.904)
    ((attr store1 < 1.638 and attr store1 > 1.578)
     and bondedto (attr store1 < 41.768 and attr store1 > 40.568))
6 6 0 peak 3290 volume 518826176 hpm1 41.168 ppm1 1.608 ppm2 7.964
!# peak 3292-----------------------------------------------
assi (attr store1 < 7.736 and attr store1 > 7.616)
    ((attr store1 < 1.637 and attr store1 > 1.577)
     and bondedto (attr store1 < 41.771 and attr store1 > 40.571))
6 6 0 peak 3292 volume 130031704 hpm1 41.171 ppm1 1.607 ppm2 7.676
!# peak 3294-----------------------------------------------
assi (attr store1 < 7.640 and attr store1 > 7.520)
    ((attr store1 < 3.007 and attr store1 > 2.947)
     and bondedto (attr store1 < 41.760 and attr store1 > 40.560))
6 6 0 peak 3294 volume 66865788 hpm1 41.160 ppm1 2.977 ppm2 7.580
!# peak 3295-----------------------------------------------
assi (attr store1 < 7.646 and attr store1 > 7.526)
    ((attr store1 < 2.696 and attr store1 > 2.636)
     and bondedto (attr store1 < 41.763 and attr store1 > 40.563))
6 6 0 peak 3295 volume 99979256 hpm1 41.163 ppm1 2.666 ppm2 7.586
!# peak 3297-----------------------------------------------
assi (attr store1 < 7.420 and attr store1 > 7.300)
    ((attr store1 < 2.692 and attr store1 > 2.632)
     and bondedto (attr store1 < 41.752 and attr store1 > 40.552))
6 6 0 peak 3297 volume 28684470 hpm1 41.152 ppm1 2.662 ppm2 7.360
!# peak 3298-----------------------------------------------
assi (attr store1 < 7.194 and attr store1 > 7.074)
    ((attr store1 < 0.411 and attr store1 > 0.351)
     and bondedto (attr store1 < 41.760 and attr store1 > 40.560))
6 6 0 peak 3298 volume 113693600 hpm1 41.160 ppm1 0.381 ppm2 7.134
!# peak 3299-----------------------------------------------
assi (attr store1 < 6.928 and attr store1 > 6.808)
    ((attr store1 < 0.396 and attr store1 > 0.336)
     and bondedto (attr store1 < 41.750 and attr store1 > 40.550))
6 6 0 peak 3299 volume 77754464 hpm1 41.150 ppm1 0.366 ppm2 6.868
!# peak 3307-----------------------------------------------
assi (attr store1 < 4.786 and attr store1 > 4.666)
    ((attr store1 < 3.009 and attr store1 > 2.949)
     and bondedto (attr store1 < 41.736 and attr store1 > 40.536))
6 6 0 peak 3307 volume 56708600 hpm1 41.136 ppm1 2.979 ppm2 4.726
!# peak 3308-----------------------------------------------
assi (attr store1 < 4.471 and attr store1 > 4.351)
    ((attr store1 < 3.006 and attr store1 > 2.946)
     and bondedto (attr store1 < 41.766 and attr store1 > 40.566))
6 6 0 peak 3308 volume 402756224 hpm1 41.166 ppm1 2.976 ppm2 4.411
!# peak 3309-----------------------------------------------
assi (attr store1 < 4.477 and attr store1 > 4.357)
    ((attr store1 < 2.697 and attr store1 > 2.637)
     and bondedto (attr store1 < 41.760 and attr store1 > 40.560))
6 6 0 peak 3309 volume 1096578048 hpm1 41.160 ppm1 2.667 ppm2 4.417
!# peak 3312-----------------------------------------------
assi (attr store1 < 4.103 and attr store1 > 3.983)
    ((attr store1 < 0.394 and attr store1 > 0.334)
     and bondedto (attr store1 < 41.747 and attr store1 > 40.547))
6 6 0 peak 3312 volume 40280880 hpm1 41.147 ppm1 0.364 ppm2 4.043
!# peak 3313-----------------------------------------------
assi (attr store1 < 3.656 and attr store1 > 3.536)
    ((attr store1 < 0.396 and attr store1 > 0.336)
     and bondedto (attr store1 < 41.747 and attr store1 > 40.547))
6 6 0 peak 3313 volume 217495792 hpm1 41.147 ppm1 0.366 ppm2 3.596
!# peak 3314-----------------------------------------------
assi (attr store1 < 3.286 and attr store1 > 3.166)
    ((attr store1 < 0.396 and attr store1 > 0.336)
     and bondedto (attr store1 < 41.749 and attr store1 > 40.549))
6 6 0 peak 3314 volume 96917112 hpm1 41.149 ppm1 0.366 ppm2 3.226
!# peak 3316-----------------------------------------------
assi (attr store1 < 3.056 and attr store1 > 2.936)
    ((attr store1 < 2.695 and attr store1 > 2.635)
     and bondedto (attr store1 < 41.763 and attr store1 > 40.563))
6 6 0 peak 3316 volume 1186136960 hpm1 41.163 ppm1 2.665 ppm2 2.996
!# peak 3317-----------------------------------------------
assi (attr store1 < 2.745 and attr store1 > 2.625)
    ((attr store1 < 3.006 and attr store1 > 2.946)
     and bondedto (attr store1 < 41.760 and attr store1 > 40.560))
6 6 0 peak 3317 volume 1131395968 hpm1 41.160 ppm1 2.976 ppm2 2.685
!# peak 3318-----------------------------------------------
assi (attr store1 < 2.511 and attr store1 > 2.391)
    ((attr store1 < 3.008 and attr store1 > 2.948)
     and bondedto (attr store1 < 41.763 and attr store1 > 40.563))
6 6 0 peak 3318 volume 172754096 hpm1 41.163 ppm1 2.978 ppm2 2.451
!# peak 3319-----------------------------------------------
assi (attr store1 < 2.509 and attr store1 > 2.389)
    ((attr store1 < 0.395 and attr store1 > 0.335)
     and bondedto (attr store1 < 41.755 and attr store1 > 40.555))
6 6 0 peak 3319 volume 80790392 hpm1 41.155 ppm1 0.365 ppm2 2.449
!# peak 3321-----------------------------------------------
assi (attr store1 < 2.110 and attr store1 > 1.990)
    ((attr store1 < 3.007 and attr store1 > 2.947)
     and bondedto (attr store1 < 41.766 and attr store1 > 40.566))
6 6 0 peak 3321 volume 203801712 hpm1 41.166 ppm1 2.977 ppm2 2.050
!# peak 3322-----------------------------------------------
assi (attr store1 < 2.108 and attr store1 > 1.988)
    ((attr store1 < 2.692 and attr store1 > 2.632)
     and bondedto (attr store1 < 41.767 and attr store1 > 40.567))
6 6 0 peak 3322 volume 164983600 hpm1 41.167 ppm1 2.662 ppm2 2.048
!# peak 3326-----------------------------------------------
assi (attr store1 < 1.754 and attr store1 > 1.634)
    ((attr store1 < 0.397 and attr store1 > 0.337)
     and bondedto (attr store1 < 41.749 and attr store1 > 40.549))
6 6 0 peak 3326 volume 550495936 hpm1 41.149 ppm1 0.367 ppm2 1.694
!# peak 3329-----------------------------------------------
assi (attr store1 < 1.433 and attr store1 > 1.313)
    ((attr store1 < 2.694 and attr store1 > 2.634)
     and bondedto (attr store1 < 41.763 and attr store1 > 40.563))
6 6 0 peak 3329 volume 527659904 hpm1 41.163 ppm1 2.664 ppm2 1.373
!# peak 3330-----------------------------------------------
assi (attr store1 < 1.432 and attr store1 > 1.312)
    ((attr store1 < 0.395 and attr store1 > 0.335)
     and bondedto (attr store1 < 41.747 and attr store1 > 40.547))
6 6 0 peak 3330 volume 143734096 hpm1 41.147 ppm1 0.365 ppm2 1.372
!# peak 3331-----------------------------------------------
assi (attr store1 < 1.060 and attr store1 > 0.940)
    ((attr store1 < 0.396 and attr store1 > 0.336)
     and bondedto (attr store1 < 41.753 and attr store1 > 40.553))
6 6 0 peak 3331 volume 202364704 hpm1 41.153 ppm1 0.366 ppm2 1.000
!# peak 3332-----------------------------------------------
assi (attr store1 < 1.016 and attr store1 > 0.896)
    ((attr store1 < 1.893 and attr store1 > 1.833)
     and bondedto (attr store1 < 41.747 and attr store1 > 40.547))
6 6 0 peak 3332 volume 824400768 hpm1 41.147 ppm1 1.863 ppm2 0.956
!# peak 3334-----------------------------------------------
assi (attr store1 < 0.922 and attr store1 > 0.802)
    ((attr store1 < 0.395 and attr store1 > 0.335)
     and bondedto (attr store1 < 41.743 and attr store1 > 40.543))
6 6 0 peak 3334 volume 285456672 hpm1 41.143 ppm1 0.365 ppm2 0.862
!# peak 3335-----------------------------------------------
assi (attr store1 < 0.700 and attr store1 > 0.580)
    ((attr store1 < 0.397 and attr store1 > 0.337)
     and bondedto (attr store1 < 41.749 and attr store1 > 40.549))
6 6 0 peak 3335 volume 1036569984 hpm1 41.149 ppm1 0.367 ppm2 0.640
!# peak 3352-----------------------------------------------
assi (attr store1 < 8.508 and attr store1 > 8.388)
    ((attr store1 < 3.034 and attr store1 > 2.974)
     and bondedto (attr store1 < 41.560 and attr store1 > 40.360))
6 6 0 peak 3352 volume 392740992 hpm1 40.960 ppm1 3.004 ppm2 8.448
!# peak 3355-----------------------------------------------
assi (attr store1 < 7.921 and attr store1 > 7.801)
    ((attr store1 < 3.552 and attr store1 > 3.492)
     and bondedto (attr store1 < 41.534 and attr store1 > 40.334))
6 6 0 peak 3355 volume 176318496 hpm1 40.934 ppm1 3.522 ppm2 7.861
!# peak 3356-----------------------------------------------
assi (attr store1 < 7.734 and attr store1 > 7.614)
    ((attr store1 < 1.874 and attr store1 > 1.814)
     and bondedto (attr store1 < 41.567 and attr store1 > 40.367))
6 6 0 peak 3356 volume 457464800 hpm1 40.967 ppm1 1.844 ppm2 7.674
!# peak 3357-----------------------------------------------
assi (attr store1 < 7.735 and attr store1 > 7.615)
    ((attr store1 < 1.460 and attr store1 > 1.400)
     and bondedto (attr store1 < 41.557 and attr store1 > 40.357))
6 6 0 peak 3357 volume 277917376 hpm1 40.957 ppm1 1.430 ppm2 7.675
!# peak 3359-----------------------------------------------
assi (attr store1 < 7.571 and attr store1 > 7.451)
    ((attr store1 < 3.554 and attr store1 > 3.494)
     and bondedto (attr store1 < 41.548 and attr store1 > 40.348))
6 6 0 peak 3359 volume 43800668 hpm1 40.948 ppm1 3.524 ppm2 7.511
!# peak 3360-----------------------------------------------
assi (attr store1 < 7.421 and attr store1 > 7.301)
    ((attr store1 < 2.103 and attr store1 > 2.043)
     and bondedto (attr store1 < 41.542 and attr store1 > 40.342))
6 6 0 peak 3360 volume 59993112 hpm1 40.942 ppm1 2.073 ppm2 7.361
!# peak 3361-----------------------------------------------
assi (attr store1 < 7.233 and attr store1 > 7.113)
    ((attr store1 < 1.871 and attr store1 > 1.811)
     and bondedto (attr store1 < 41.557 and attr store1 > 40.357))
6 6 0 peak 3361 volume 143871504 hpm1 40.957 ppm1 1.841 ppm2 7.173
!# peak 3363-----------------------------------------------
assi (attr store1 < 7.024 and attr store1 > 6.904)
    ((attr store1 < 1.874 and attr store1 > 1.814)
     and bondedto (attr store1 < 41.566 and attr store1 > 40.366))
6 6 0 peak 3363 volume 110565600 hpm1 40.966 ppm1 1.844 ppm2 6.964
!# peak 3364-----------------------------------------------
assi (attr store1 < 7.025 and attr store1 > 6.905)
    ((attr store1 < 1.462 and attr store1 > 1.402)
     and bondedto (attr store1 < 41.569 and attr store1 > 40.369))
6 6 0 peak 3364 volume 129344192 hpm1 40.969 ppm1 1.432 ppm2 6.965
!# peak 3370-----------------------------------------------
assi (attr store1 < 4.786 and attr store1 > 4.666)
    ((attr store1 < 3.553 and attr store1 > 3.493)
     and bondedto (attr store1 < 41.533 and attr store1 > 40.333))
6 6 0 peak 3370 volume 86788472 hpm1 40.933 ppm1 3.523 ppm2 4.726
!# peak 3371-----------------------------------------------
assi (attr store1 < 4.789 and attr store1 > 4.669)
    ((attr store1 < 2.118 and attr store1 > 2.058)
     and bondedto (attr store1 < 41.526 and attr store1 > 40.326))
6 6 0 peak 3371 volume 140173696 hpm1 40.926 ppm1 2.088 ppm2 4.729
!# peak 3373-----------------------------------------------
assi (attr store1 < 4.067 and attr store1 > 3.947)
    ((attr store1 < 3.552 and attr store1 > 3.492)
     and bondedto (attr store1 < 41.533 and attr store1 > 40.333))
6 6 0 peak 3373 volume 459351200 hpm1 40.933 ppm1 3.522 ppm2 4.007
!# peak 3402-----------------------------------------------
assi (attr store1 < 1.971 and attr store1 > 1.851)
    ((attr store1 < 3.553 and attr store1 > 3.493)
     and bondedto (attr store1 < 41.545 and attr store1 > 40.345))
6 6 0 peak 3402 volume 42931020 hpm1 40.945 ppm1 3.523 ppm2 1.911
!# peak 3404-----------------------------------------------
assi (attr store1 < 1.801 and attr store1 > 1.681)
    ((attr store1 < 3.552 and attr store1 > 3.492)
     and bondedto (attr store1 < 41.546 and attr store1 > 40.346))
6 6 0 peak 3404 volume 42955132 hpm1 40.946 ppm1 3.522 ppm2 1.741
!# peak 3406-----------------------------------------------
assi (attr store1 < 1.517 and attr store1 > 1.397)
    ((attr store1 < 3.552 and attr store1 > 3.492)
     and bondedto (attr store1 < 41.533 and attr store1 > 40.333))
6 6 0 peak 3406 volume 42747588 hpm1 40.933 ppm1 3.522 ppm2 1.457
!# peak 3409-----------------------------------------------
assi (attr store1 < 1.237 and attr store1 > 1.117)
    ((attr store1 < 3.555 and attr store1 > 3.495)
     and bondedto (attr store1 < 41.533 and attr store1 > 40.333))
6 6 0 peak 3409 volume 333458976 hpm1 40.933 ppm1 3.525 ppm2 1.177
!# peak 3413-----------------------------------------------
assi (attr store1 < 0.843 and attr store1 > 0.723)
    ((attr store1 < 3.552 and attr store1 > 3.492)
     and bondedto (attr store1 < 41.543 and attr store1 > 40.343))
6 6 0 peak 3413 volume 23912190 hpm1 40.943 ppm1 3.522 ppm2 0.783
!# peak 3414-----------------------------------------------
assi (attr store1 < 0.831 and attr store1 > 0.711)
    ((attr store1 < 3.048 and attr store1 > 2.988)
     and bondedto (attr store1 < 41.554 and attr store1 > 40.354))
6 6 0 peak 3414 volume 83124296 hpm1 40.954 ppm1 3.018 ppm2 0.771
!# peak 3418-----------------------------------------------
assi (attr store1 < 0.518 and attr store1 > 0.398)
    ((attr store1 < 1.462 and attr store1 > 1.402)
     and bondedto (attr store1 < 41.564 and attr store1 > 40.364))
6 6 0 peak 3418 volume 284965184 hpm1 40.964 ppm1 1.432 ppm2 0.458
!# peak 3420-----------------------------------------------
assi (attr store1 < 0.165 and attr store1 > 0.045)
    ((attr store1 < 1.873 and attr store1 > 1.813)
     and bondedto (attr store1 < 41.548 and attr store1 > 40.348))
6 6 0 peak 3420 volume 20486270 hpm1 40.948 ppm1 1.843 ppm2 0.105
!# peak 3421-----------------------------------------------
assi (attr store1 < 0.162 and attr store1 > 0.042)
    ((attr store1 < 1.462 and attr store1 > 1.402)
     and bondedto (attr store1 < 41.556 and attr store1 > 40.356))
6 6 0 peak 3421 volume 49056228 hpm1 40.956 ppm1 1.432 ppm2 0.102
!# peak 3426-----------------------------------------------
assi (attr store1 < 8.515 and attr store1 > 8.395)
    ((attr store1 < 3.242 and attr store1 > 3.182)
     and bondedto (attr store1 < 41.392 and attr store1 > 40.192))
6 6 0 peak 3426 volume 419914112 hpm1 40.792 ppm1 3.212 ppm2 8.455
!# peak 3428-----------------------------------------------
assi (attr store1 < 7.625 and attr store1 > 7.505)
    ((attr store1 < 2.595 and attr store1 > 2.535)
     and bondedto (attr store1 < 41.388 and attr store1 > 40.188))
6 6 0 peak 3428 volume 42000048 hpm1 40.788 ppm1 2.565 ppm2 7.565
!# peak 3429-----------------------------------------------
assi (attr store1 < 7.395 and attr store1 > 7.275)
    ((attr store1 < 3.241 and attr store1 > 3.181)
     and bondedto (attr store1 < 41.391 and attr store1 > 40.191))
6 6 0 peak 3429 volume 264336912 hpm1 40.791 ppm1 3.211 ppm2 7.335
!# peak 3430-----------------------------------------------
assi (attr store1 < 7.391 and attr store1 > 7.271)
    ((attr store1 < 3.050 and attr store1 > 2.990)
     and bondedto (attr store1 < 41.392 and attr store1 > 40.192))
6 6 0 peak 3430 volume 338906112 hpm1 40.792 ppm1 3.020 ppm2 7.331
!# peak 3433-----------------------------------------------
assi (attr store1 < 4.963 and attr store1 > 4.843)
    ((attr store1 < 3.733 and attr store1 > 3.673)
     and bondedto (attr store1 < 41.350 and attr store1 > 40.150))
6 6 0 peak 3433 volume 28645130 hpm1 40.750 ppm1 3.703 ppm2 4.903
!# peak 3435-----------------------------------------------
assi (attr store1 < 4.793 and attr store1 > 4.673)
    ((attr store1 < 2.596 and attr store1 > 2.536)
     and bondedto (attr store1 < 41.385 and attr store1 > 40.185))
6 6 0 peak 3435 volume 166867696 hpm1 40.785 ppm1 2.566 ppm2 4.733
!# peak 3437-----------------------------------------------
assi (attr store1 < 4.420 and attr store1 > 4.300)
    ((attr store1 < 2.532 and attr store1 > 2.472)
     and bondedto (attr store1 < 41.380 and attr store1 > 40.180))
6 6 0 peak 3437 volume 695947136 hpm1 40.780 ppm1 2.502 ppm2 4.360
!# peak 3456-----------------------------------------------
assi (attr store1 < 4.067 and attr store1 > 3.947)
    ((attr store1 < 3.240 and attr store1 > 3.180)
     and bondedto (attr store1 < 41.388 and attr store1 > 40.188))
6 6 0 peak 3456 volume 392079712 hpm1 40.788 ppm1 3.210 ppm2 4.007
!# peak 3457-----------------------------------------------
assi (attr store1 < 4.069 and attr store1 > 3.949)
    ((attr store1 < 3.053 and attr store1 > 2.993)
     and bondedto (attr store1 < 41.390 and attr store1 > 40.190))
6 6 0 peak 3457 volume 402660384 hpm1 40.790 ppm1 3.023 ppm2 4.009
!# peak 3458-----------------------------------------------
assi (attr store1 < 3.743 and attr store1 > 3.623)
    ((attr store1 < 3.240 and attr store1 > 3.180)
     and bondedto (attr store1 < 41.394 and attr store1 > 40.194))
6 6 0 peak 3458 volume 17763230 hpm1 40.794 ppm1 3.210 ppm2 3.683
!# peak 3459-----------------------------------------------
assi (attr store1 < 3.738 and attr store1 > 3.618)
    ((attr store1 < 3.049 and attr store1 > 2.989)
     and bondedto (attr store1 < 41.385 and attr store1 > 40.185))
6 6 0 peak 3459 volume 72412648 hpm1 40.785 ppm1 3.019 ppm2 3.678
!# peak 3465-----------------------------------------------
assi (attr store1 < 3.292 and attr store1 > 3.172)
    ((attr store1 < 3.050 and attr store1 > 2.990)
     and bondedto (attr store1 < 41.389 and attr store1 > 40.189))
6 6 0 peak 3465 volume 1756257024 hpm1 40.789 ppm1 3.020 ppm2 3.232
!# peak 3467-----------------------------------------------
assi (attr store1 < 3.105 and attr store1 > 2.985)
    ((attr store1 < 3.240 and attr store1 > 3.180)
     and bondedto (attr store1 < 41.387 and attr store1 > 40.187))
6 6 0 peak 3467 volume 0.2265756e+10 hpm1 40.787 ppm1 3.210 ppm2 3.045
!# peak 3468-----------------------------------------------
assi (attr store1 < 2.660 and attr store1 > 2.540)
    ((attr store1 < 3.240 and attr store1 > 3.180)
     and bondedto (attr store1 < 41.384 and attr store1 > 40.184))
6 6 0 peak 3468 volume 371485600 hpm1 40.784 ppm1 3.210 ppm2 2.600
!# peak 3475-----------------------------------------------
assi (attr store1 < 1.932 and attr store1 > 1.812)
    ((attr store1 < 2.597 and attr store1 > 2.537)
     and bondedto (attr store1 < 41.379 and attr store1 > 40.179))
6 6 0 peak 3475 volume 130659400 hpm1 40.779 ppm1 2.567 ppm2 1.872
!# peak 3476-----------------------------------------------
assi (attr store1 < 1.511 and attr store1 > 1.391)
    ((attr store1 < 3.239 and attr store1 > 3.179)
     and bondedto (attr store1 < 41.388 and attr store1 > 40.188))
6 6 0 peak 3476 volume 401172000 hpm1 40.788 ppm1 3.209 ppm2 1.451
!# peak 3477-----------------------------------------------
assi (attr store1 < 1.511 and attr store1 > 1.391)
    ((attr store1 < 3.049 and attr store1 > 2.989)
     and bondedto (attr store1 < 41.394 and attr store1 > 40.194))
6 6 0 peak 3477 volume 437002688 hpm1 40.794 ppm1 3.019 ppm2 1.451
!# peak 3480-----------------------------------------------
assi (attr store1 < 0.828 and attr store1 > 0.708)
    ((attr store1 < 3.240 and attr store1 > 3.180)
     and bondedto (attr store1 < 41.396 and attr store1 > 40.196))
6 6 0 peak 3480 volume 27601438 hpm1 40.796 ppm1 3.210 ppm2 0.768
!# peak 3489-----------------------------------------------
assi (attr store1 < 8.509 and attr store1 > 8.389)
    ((attr store1 < 3.735 and attr store1 > 3.675)
     and bondedto (attr store1 < 41.212 and attr store1 > 40.012))
6 6 0 peak 3489 volume 108153800 hpm1 40.612 ppm1 3.705 ppm2 8.449
!# peak 3491-----------------------------------------------
assi (attr store1 < 8.212 and attr store1 > 8.092)
    ((attr store1 < 2.604 and attr store1 > 2.544)
     and bondedto (attr store1 < 41.185 and attr store1 > 39.985))
6 6 0 peak 3491 volume 649142976 hpm1 40.585 ppm1 2.574 ppm2 8.152
!# peak 3492-----------------------------------------------
assi (attr store1 < 8.011 and attr store1 > 7.891)
    ((attr store1 < 3.735 and attr store1 > 3.675)
     and bondedto (attr store1 < 41.207 and attr store1 > 40.007))
6 6 0 peak 3492 volume 112411496 hpm1 40.607 ppm1 3.705 ppm2 7.951
!# peak 3493-----------------------------------------------
assi (attr store1 < 7.708 and attr store1 > 7.588)
    ((attr store1 < 3.735 and attr store1 > 3.675)
     and bondedto (attr store1 < 41.213 and attr store1 > 40.013))
6 6 0 peak 3493 volume 50310512 hpm1 40.613 ppm1 3.705 ppm2 7.648
!# peak 3496-----------------------------------------------
assi (attr store1 < 7.233 and attr store1 > 7.113)
    ((attr store1 < 3.735 and attr store1 > 3.675)
     and bondedto (attr store1 < 41.213 and attr store1 > 40.013))
6 6 0 peak 3496 volume 231992896 hpm1 40.613 ppm1 3.705 ppm2 7.173
!# peak 3497-----------------------------------------------
assi (attr store1 < 7.158 and attr store1 > 7.038)
    ((attr store1 < 2.603 and attr store1 > 2.543)
     and bondedto (attr store1 < 41.171 and attr store1 > 39.971))
6 6 0 peak 3497 volume 299010400 hpm1 40.571 ppm1 2.573 ppm2 7.098
!# peak 3504-----------------------------------------------
assi (attr store1 < 4.427 and attr store1 > 4.307)
    ((attr store1 < 2.593 and attr store1 > 2.533)
     and bondedto (attr store1 < 41.189 and attr store1 > 39.989))
6 6 0 peak 3504 volume 1471292928 hpm1 40.589 ppm1 2.563 ppm2 4.367
!# peak 3508-----------------------------------------------
assi (attr store1 < 3.421 and attr store1 > 3.301)
    ((attr store1 < 3.735 and attr store1 > 3.675)
     and bondedto (attr store1 < 41.206 and attr store1 > 40.006))
6 6 0 peak 3508 volume 58951920 hpm1 40.606 ppm1 3.705 ppm2 3.361
!# peak 3510-----------------------------------------------
assi (attr store1 < 2.982 and attr store1 > 2.862)
    ((attr store1 < 3.736 and attr store1 > 3.676)
     and bondedto (attr store1 < 41.216 and attr store1 > 40.016))
6 6 0 peak 3510 volume 39400380 hpm1 40.616 ppm1 3.706 ppm2 2.922
!# peak 3515-----------------------------------------------
assi (attr store1 < 2.015 and attr store1 > 1.895)
    ((attr store1 < 3.735 and attr store1 > 3.675)
     and bondedto (attr store1 < 41.209 and attr store1 > 40.009))
6 6 0 peak 3515 volume 293320672 hpm1 40.609 ppm1 3.705 ppm2 1.955
!# peak 3516-----------------------------------------------
assi (attr store1 < 1.747 and attr store1 > 1.627)
    ((attr store1 < 2.603 and attr store1 > 2.543)
     and bondedto (attr store1 < 41.187 and attr store1 > 39.987))
6 6 0 peak 3516 volume 169116896 hpm1 40.587 ppm1 2.573 ppm2 1.687
!# peak 3517-----------------------------------------------
assi (attr store1 < 1.708 and attr store1 > 1.588)
    ((attr store1 < 3.735 and attr store1 > 3.675)
     and bondedto (attr store1 < 41.211 and attr store1 > 40.011))
6 6 0 peak 3517 volume 167116192 hpm1 40.611 ppm1 3.705 ppm2 1.648
!# peak 3518-----------------------------------------------
assi (attr store1 < 1.473 and attr store1 > 1.353)
    ((attr store1 < 2.603 and attr store1 > 2.543)
     and bondedto (attr store1 < 41.191 and attr store1 > 39.991))
6 6 0 peak 3518 volume 536113632 hpm1 40.591 ppm1 2.573 ppm2 1.413
!# peak 3519-----------------------------------------------
assi (attr store1 < 1.209 and attr store1 > 1.089)
    ((attr store1 < 3.735 and attr store1 > 3.675)
     and bondedto (attr store1 < 41.209 and attr store1 > 40.009))
6 6 0 peak 3519 volume 193634304 hpm1 40.609 ppm1 3.705 ppm2 1.149
!# peak 3521-----------------------------------------------
assi (attr store1 < 1.052 and attr store1 > 0.932)
    ((attr store1 < 3.735 and attr store1 > 3.675)
     and bondedto (attr store1 < 41.210 and attr store1 > 40.010))
6 6 0 peak 3521 volume 328037120 hpm1 40.610 ppm1 3.705 ppm2 0.992
!# peak 3522-----------------------------------------------
assi (attr store1 < 1.028 and attr store1 > 0.908)
    ((attr store1 < 2.603 and attr store1 > 2.543)
     and bondedto (attr store1 < 41.181 and attr store1 > 39.981))
6 6 0 peak 3522 volume 165114000 hpm1 40.581 ppm1 2.573 ppm2 0.968
!# peak 3523-----------------------------------------------
assi (attr store1 < 0.885 and attr store1 > 0.765)
    ((attr store1 < 3.735 and attr store1 > 3.675)
     and bondedto (attr store1 < 41.208 and attr store1 > 40.008))
6 6 0 peak 3523 volume 203404496 hpm1 40.608 ppm1 3.705 ppm2 0.825
!# peak 3528-----------------------------------------------
assi (attr store1 < 0.703 and attr store1 > 0.583)
    ((attr store1 < 3.735 and attr store1 > 3.675)
     and bondedto (attr store1 < 41.213 and attr store1 > 40.013))
6 6 0 peak 3528 volume 70500584 hpm1 40.613 ppm1 3.705 ppm2 0.643
!# peak 3529-----------------------------------------------
assi (attr store1 < 0.703 and attr store1 > 0.583)
    ((attr store1 < 2.606 and attr store1 > 2.546)
     and bondedto (attr store1 < 41.174 and attr store1 > 39.974))
6 6 0 peak 3529 volume 151969600 hpm1 40.574 ppm1 2.576 ppm2 0.643
!# peak 3531-----------------------------------------------
assi (attr store1 < 0.327 and attr store1 > 0.207)
    ((attr store1 < 3.735 and attr store1 > 3.675)
     and bondedto (attr store1 < 41.209 and attr store1 > 40.009))
6 6 0 peak 3531 volume 141318688 hpm1 40.609 ppm1 3.705 ppm2 0.267
!# peak 3580-----------------------------------------------
assi (attr store1 < 8.113 and attr store1 > 7.993)
    ((attr store1 < 3.602 and attr store1 > 3.542)
     and bondedto (attr store1 < 40.633 and attr store1 > 39.433))
6 6 0 peak 3580 volume 47186800 hpm1 40.033 ppm1 3.572 ppm2 8.053
!# peak 3581-----------------------------------------------
assi (attr store1 < 7.834 and attr store1 > 7.714)
    ((attr store1 < 3.602 and attr store1 > 3.542)
     and bondedto (attr store1 < 40.640 and attr store1 > 39.440))
6 6 0 peak 3581 volume 78171280 hpm1 40.040 ppm1 3.572 ppm2 7.774
!# peak 3582-----------------------------------------------
assi (attr store1 < 7.155 and attr store1 > 7.035)
    ((attr store1 < 3.602 and attr store1 > 3.542)
     and bondedto (attr store1 < 40.635 and attr store1 > 39.435))
6 6 0 peak 3582 volume 121049800 hpm1 40.035 ppm1 3.572 ppm2 7.095
!# peak 3589-----------------------------------------------
assi (attr store1 < 4.784 and attr store1 > 4.664)
    ((attr store1 < 3.601 and attr store1 > 3.541)
     and bondedto (attr store1 < 40.671 and attr store1 > 39.471))
6 6 0 peak 3589 volume 18142370 hpm1 40.071 ppm1 3.571 ppm2 4.724
!# peak 3590-----------------------------------------------
assi (attr store1 < 4.299 and attr store1 > 4.179)
    ((attr store1 < 3.599 and attr store1 > 3.539)
     and bondedto (attr store1 < 40.644 and attr store1 > 39.444))
6 6 0 peak 3590 volume 29809422 hpm1 40.044 ppm1 3.569 ppm2 4.239
!# peak 3591-----------------------------------------------
assi (attr store1 < 4.016 and attr store1 > 3.896)
    ((attr store1 < 3.601 and attr store1 > 3.541)
     and bondedto (attr store1 < 40.633 and attr store1 > 39.433))
6 6 0 peak 3591 volume 117742200 hpm1 40.033 ppm1 3.571 ppm2 3.956
!# peak 3598-----------------------------------------------
assi (attr store1 < 2.653 and attr store1 > 2.533)
    ((attr store1 < 3.600 and attr store1 > 3.540)
     and bondedto (attr store1 < 40.635 and attr store1 > 39.435))
6 6 0 peak 3598 volume 47730020 hpm1 40.035 ppm1 3.570 ppm2 2.593
!# peak 3599-----------------------------------------------
assi (attr store1 < 1.748 and attr store1 > 1.628)
    ((attr store1 < 3.602 and attr store1 > 3.542)
     and bondedto (attr store1 < 40.631 and attr store1 > 39.431))
6 6 0 peak 3599 volume 174769600 hpm1 40.031 ppm1 3.572 ppm2 1.688
!# peak 3600-----------------------------------------------
assi (attr store1 < 1.431 and attr store1 > 1.311)
    ((attr store1 < 3.601 and attr store1 > 3.541)
     and bondedto (attr store1 < 40.635 and attr store1 > 39.435))
6 6 0 peak 3600 volume 127901600 hpm1 40.035 ppm1 3.571 ppm2 1.371
!# peak 3603-----------------------------------------------
assi (attr store1 < 1.050 and attr store1 > 0.930)
    ((attr store1 < 3.602 and attr store1 > 3.542)
     and bondedto (attr store1 < 40.631 and attr store1 > 39.431))
6 6 0 peak 3603 volume 235478800 hpm1 40.031 ppm1 3.572 ppm2 0.990
!# peak 3605-----------------------------------------------
assi (attr store1 < 0.694 and attr store1 > 0.574)
    ((attr store1 < 3.601 and attr store1 > 3.541)
     and bondedto (attr store1 < 40.633 and attr store1 > 39.433))
6 6 0 peak 3605 volume 119332000 hpm1 40.033 ppm1 3.571 ppm2 0.634
!# peak 3606-----------------------------------------------
assi (attr store1 < 0.433 and attr store1 > 0.313)
    ((attr store1 < 3.601 and attr store1 > 3.541)
     and bondedto (attr store1 < 40.632 and attr store1 > 39.432))
6 6 0 peak 3606 volume 256173200 hpm1 40.032 ppm1 3.571 ppm2 0.373
!# peak 3614-----------------------------------------------
assi (attr store1 < 8.389 and attr store1 > 8.269)
    ((attr store1 < 2.732 and attr store1 > 2.672)
     and bondedto (attr store1 < 40.448 and attr store1 > 39.248))
6 6 0 peak 3614 volume 175719904 hpm1 39.848 ppm1 2.702 ppm2 8.329
!# peak 3615-----------------------------------------------
assi (attr store1 < 8.076 and attr store1 > 7.956)
    ((attr store1 < 2.732 and attr store1 > 2.672)
     and bondedto (attr store1 < 40.458 and attr store1 > 39.258))
6 6 0 peak 3615 volume 134395408 hpm1 39.858 ppm1 2.702 ppm2 8.016
!# peak 3618-----------------------------------------------
assi (attr store1 < 7.520 and attr store1 > 7.400)
    ((attr store1 < 2.732 and attr store1 > 2.672)
     and bondedto (attr store1 < 40.441 and attr store1 > 39.241))
6 6 0 peak 3618 volume 12802850 hpm1 39.841 ppm1 2.702 ppm2 7.460
!# peak 3623-----------------------------------------------
assi (attr store1 < 4.516 and attr store1 > 4.396)
    ((attr store1 < 2.732 and attr store1 > 2.672)
     and bondedto (attr store1 < 40.443 and attr store1 > 39.243))
6 6 0 peak 3623 volume 712233280 hpm1 39.843 ppm1 2.702 ppm2 4.456
!# peak 3625-----------------------------------------------
assi (attr store1 < 3.800 and attr store1 > 3.680)
    ((attr store1 < 2.729 and attr store1 > 2.669)
     and bondedto (attr store1 < 40.468 and attr store1 > 39.268))
6 6 0 peak 3625 volume 18628030 hpm1 39.868 ppm1 2.699 ppm2 3.740
!# peak 3630-----------------------------------------------
assi (attr store1 < 2.067 and attr store1 > 1.947)
    ((attr store1 < 2.733 and attr store1 > 2.673)
     and bondedto (attr store1 < 40.445 and attr store1 > 39.245))
6 6 0 peak 3630 volume 190234096 hpm1 39.845 ppm1 2.703 ppm2 2.007
!# peak 3632-----------------------------------------------
assi (attr store1 < 1.054 and attr store1 > 0.934)
    ((attr store1 < 2.733 and attr store1 > 2.673)
     and bondedto (attr store1 < 40.424 and attr store1 > 39.224))
6 6 0 peak 3632 volume 79557184 hpm1 39.824 ppm1 2.703 ppm2 0.994
!# peak 3635-----------------------------------------------
assi (attr store1 < 0.871 and attr store1 > 0.751)
    ((attr store1 < 2.733 and attr store1 > 2.673)
     and bondedto (attr store1 < 40.444 and attr store1 > 39.244))
6 6 0 peak 3635 volume 45499500 hpm1 39.844 ppm1 2.703 ppm2 0.811
!# peak 3712-----------------------------------------------
assi (attr store1 < 1.703 and attr store1 > 1.583)
    ((attr store1 < 2.942 and attr store1 > 2.882)
     and bondedto (attr store1 < 40.065 and attr store1 > 38.865))
6 6 0 peak 3712 volume 102500696 hpm1 39.465 ppm1 2.912 ppm2 1.643
!# peak 3723-----------------------------------------------
assi (attr store1 < 8.054 and attr store1 > 7.934)
    ((attr store1 < 4.051 and attr store1 > 3.991)
     and bondedto (attr store1 < 39.873 and attr store1 > 38.673))
6 6 0 peak 3723 volume 208539312 hpm1 39.273 ppm1 4.021 ppm2 7.994
!# peak 3724-----------------------------------------------
assi (attr store1 < 8.014 and attr store1 > 7.894)
    ((attr store1 < 3.393 and attr store1 > 3.333)
     and bondedto (attr store1 < 39.872 and attr store1 > 38.672))
6 6 0 peak 3724 volume 622178816 hpm1 39.272 ppm1 3.363 ppm2 7.954
!# peak 3725-----------------------------------------------
assi (attr store1 < 8.006 and attr store1 > 7.886)
    ((attr store1 < 2.941 and attr store1 > 2.881)
     and bondedto (attr store1 < 39.871 and attr store1 > 38.671))
6 6 0 peak 3725 volume 317624384 hpm1 39.271 ppm1 2.911 ppm2 7.946
!# peak 3729-----------------------------------------------
assi (attr store1 < 7.465 and attr store1 > 7.345)
    ((attr store1 < 3.392 and attr store1 > 3.332)
     and bondedto (attr store1 < 39.880 and attr store1 > 38.680))
6 6 0 peak 3729 volume 117071896 hpm1 39.280 ppm1 3.362 ppm2 7.405
!# peak 3730-----------------------------------------------
assi (attr store1 < 7.471 and attr store1 > 7.351)
    ((attr store1 < 2.942 and attr store1 > 2.882)
     and bondedto (attr store1 < 39.862 and attr store1 > 38.662))
6 6 0 peak 3730 volume 131712704 hpm1 39.262 ppm1 2.912 ppm2 7.411
!# peak 3733-----------------------------------------------
assi (attr store1 < 7.235 and attr store1 > 7.115)
    ((attr store1 < 3.392 and attr store1 > 3.332)
     and bondedto (attr store1 < 39.870 and attr store1 > 38.670))
6 6 0 peak 3733 volume 764918080 hpm1 39.270 ppm1 3.362 ppm2 7.175
!# peak 3734-----------------------------------------------
assi (attr store1 < 7.239 and attr store1 > 7.119)
    ((attr store1 < 2.942 and attr store1 > 2.882)
     and bondedto (attr store1 < 39.871 and attr store1 > 38.671))
6 6 0 peak 3734 volume 641561408 hpm1 39.271 ppm1 2.912 ppm2 7.179
!# peak 3772-----------------------------------------------
assi (attr store1 < 3.225 and attr store1 > 3.105)
    ((attr store1 < 2.931 and attr store1 > 2.871)
     and bondedto (attr store1 < 39.879 and attr store1 > 38.679))
6 6 0 peak 3772 volume 513834592 hpm1 39.279 ppm1 2.901 ppm2 3.165
!# peak 3775-----------------------------------------------
assi (attr store1 < 3.442 and attr store1 > 3.322)
    ((attr store1 < 2.946 and attr store1 > 2.886)
     and bondedto (attr store1 < 39.869 and attr store1 > 38.669))
6 6 0 peak 3775 volume 1004550976 hpm1 39.269 ppm1 2.916 ppm2 3.382
!# peak 3781-----------------------------------------------
assi (attr store1 < 3.004 and attr store1 > 2.884)
    ((attr store1 < 3.391 and attr store1 > 3.331)
     and bondedto (attr store1 < 39.871 and attr store1 > 38.671))
6 6 0 peak 3781 volume 1854814976 hpm1 39.271 ppm1 3.361 ppm2 2.944
!# peak 3784-----------------------------------------------
assi (attr store1 < 2.747 and attr store1 > 2.627)
    ((attr store1 < 4.051 and attr store1 > 3.991)
     and bondedto (attr store1 < 39.880 and attr store1 > 38.680))
6 6 0 peak 3784 volume 354144096 hpm1 39.280 ppm1 4.021 ppm2 2.687
!# peak 3786-----------------------------------------------
assi (attr store1 < 2.289 and attr store1 > 2.169)
    ((attr store1 < 3.392 and attr store1 > 3.332)
     and bondedto (attr store1 < 39.881 and attr store1 > 38.681))
6 6 0 peak 3786 volume 343747200 hpm1 39.281 ppm1 3.362 ppm2 2.229
!# peak 3787-----------------------------------------------
assi (attr store1 < 2.291 and attr store1 > 2.171)
    ((attr store1 < 2.939 and attr store1 > 2.879)
     and bondedto (attr store1 < 39.885 and attr store1 > 38.685))
6 6 0 peak 3787 volume 388543808 hpm1 39.285 ppm1 2.909 ppm2 2.231
!# peak 3790-----------------------------------------------
assi (attr store1 < 1.831 and attr store1 > 1.711)
    ((attr store1 < 4.051 and attr store1 > 3.991)
     and bondedto (attr store1 < 39.877 and attr store1 > 38.677))
6 6 0 peak 3790 volume 291750624 hpm1 39.277 ppm1 4.021 ppm2 1.771
!# peak 3796-----------------------------------------------
assi (attr store1 < 1.375 and attr store1 > 1.255)
    ((attr store1 < 3.394 and attr store1 > 3.334)
     and bondedto (attr store1 < 39.870 and attr store1 > 38.670))
6 6 0 peak 3796 volume 262498192 hpm1 39.270 ppm1 3.364 ppm2 1.315
!# peak 3797-----------------------------------------------
assi (attr store1 < 1.346 and attr store1 > 1.226)
    ((attr store1 < 2.939 and attr store1 > 2.879)
     and bondedto (attr store1 < 39.868 and attr store1 > 38.668))
6 6 0 peak 3797 volume 276922272 hpm1 39.268 ppm1 2.909 ppm2 1.286
!# peak 3798-----------------------------------------------
assi (attr store1 < 1.063 and attr store1 > 0.943)
    ((attr store1 < 3.393 and attr store1 > 3.333)
     and bondedto (attr store1 < 39.871 and attr store1 > 38.671))
6 6 0 peak 3798 volume 113922000 hpm1 39.271 ppm1 3.363 ppm2 1.003
!# peak 3799-----------------------------------------------
assi (attr store1 < 1.057 and attr store1 > 0.937)
    ((attr store1 < 2.939 and attr store1 > 2.879)
     and bondedto (attr store1 < 39.871 and attr store1 > 38.671))
6 6 0 peak 3799 volume 77258880 hpm1 39.271 ppm1 2.909 ppm2 0.997
!# peak 3801-----------------------------------------------
assi (attr store1 < 0.781 and attr store1 > 0.661)
    ((attr store1 < 3.393 and attr store1 > 3.333)
     and bondedto (attr store1 < 39.878 and attr store1 > 38.678))
6 6 0 peak 3801 volume 85476752 hpm1 39.278 ppm1 3.363 ppm2 0.721
!# peak 3802-----------------------------------------------
assi (attr store1 < 0.778 and attr store1 > 0.658)
    ((attr store1 < 2.938 and attr store1 > 2.878)
     and bondedto (attr store1 < 39.870 and attr store1 > 38.670))
6 6 0 peak 3802 volume 146854704 hpm1 39.270 ppm1 2.908 ppm2 0.718
!# peak 3803-----------------------------------------------
assi (attr store1 < 0.433 and attr store1 > 0.313)
    ((attr store1 < 4.050 and attr store1 > 3.990)
     and bondedto (attr store1 < 39.876 and attr store1 > 38.676))
6 6 0 peak 3803 volume 29364180 hpm1 39.276 ppm1 4.020 ppm2 0.373
!# peak 3805-----------------------------------------------
assi (attr store1 < 0.336 and attr store1 > 0.216)
    ((attr store1 < 3.393 and attr store1 > 3.333)
     and bondedto (attr store1 < 39.870 and attr store1 > 38.670))
6 6 0 peak 3805 volume 243546096 hpm1 39.270 ppm1 3.363 ppm2 0.276
!# peak 3806-----------------------------------------------
assi (attr store1 < 0.336 and attr store1 > 0.216)
    ((attr store1 < 2.942 and attr store1 > 2.882)
     and bondedto (attr store1 < 39.869 and attr store1 > 38.669))
6 6 0 peak 3806 volume 275785728 hpm1 39.269 ppm1 2.912 ppm2 0.276
!# peak 3807-----------------------------------------------
assi (attr store1 < 9.450 and attr store1 > 9.330)
    ((attr store1 < 1.373 and attr store1 > 1.313)
     and bondedto (attr store1 < 39.715 and attr store1 > 38.515))
6 6 0 peak 3807 volume 18141410 hpm1 39.115 ppm1 1.343 ppm2 9.390
!# peak 3808-----------------------------------------------
assi (attr store1 < 8.509 and attr store1 > 8.389)
    ((attr store1 < 4.014 and attr store1 > 3.954)
     and bondedto (attr store1 < 39.689 and attr store1 > 38.489))
6 6 0 peak 3808 volume 220843696 hpm1 39.089 ppm1 3.984 ppm2 8.449
!# peak 3809-----------------------------------------------
assi (attr store1 < 8.508 and attr store1 > 8.388)
    ((attr store1 < 1.372 and attr store1 > 1.312)
     and bondedto (attr store1 < 39.713 and attr store1 > 38.513))
6 6 0 peak 3809 volume 48028312 hpm1 39.113 ppm1 1.342 ppm2 8.448
!# peak 3812-----------------------------------------------
assi (attr store1 < 7.423 and attr store1 > 7.303)
    ((attr store1 < 4.032 and attr store1 > 3.972)
     and bondedto (attr store1 < 39.718 and attr store1 > 38.518))
6 6 0 peak 3812 volume 237173792 hpm1 39.118 ppm1 4.002 ppm2 7.363
!# peak 3813-----------------------------------------------
assi (attr store1 < 7.423 and attr store1 > 7.303)
    ((attr store1 < 1.372 and attr store1 > 1.312)
     and bondedto (attr store1 < 39.710 and attr store1 > 38.510))
6 6 0 peak 3813 volume 145697392 hpm1 39.110 ppm1 1.342 ppm2 7.363
!# peak 3816-----------------------------------------------
assi (attr store1 < 7.050 and attr store1 > 6.930)
    ((attr store1 < 1.372 and attr store1 > 1.312)
     and bondedto (attr store1 < 39.708 and attr store1 > 38.508))
6 6 0 peak 3816 volume 101752496 hpm1 39.108 ppm1 1.342 ppm2 6.990
!# peak 3822-----------------------------------------------
assi (attr store1 < 4.787 and attr store1 > 4.667)
    ((attr store1 < 3.940 and attr store1 > 3.880)
     and bondedto (attr store1 < 39.690 and attr store1 > 38.490))
6 6 0 peak 3822 volume 323540608 hpm1 39.090 ppm1 3.910 ppm2 4.727
!# peak 3830-----------------------------------------------
assi (attr store1 < 4.236 and attr store1 > 4.116)
    ((attr store1 < 1.373 and attr store1 > 1.313)
     and bondedto (attr store1 < 39.707 and attr store1 > 38.507))
6 6 0 peak 3830 volume 73067288 hpm1 39.107 ppm1 1.343 ppm2 4.176
!# peak 3835-----------------------------------------------
assi (attr store1 < 4.068 and attr store1 > 3.948)
    ((attr store1 < 1.371 and attr store1 > 1.311)
     and bondedto (attr store1 < 39.713 and attr store1 > 38.513))
6 6 0 peak 3835 volume 195173904 hpm1 39.113 ppm1 1.341 ppm2 4.008
!# peak 3842-----------------------------------------------
assi (attr store1 < 3.294 and attr store1 > 3.174)
    ((attr store1 < 4.012 and attr store1 > 3.952)
     and bondedto (attr store1 < 39.679 and attr store1 > 38.479))
6 6 0 peak 3842 volume 529004992 hpm1 39.079 ppm1 3.982 ppm2 3.234
!# peak 3843-----------------------------------------------
assi (attr store1 < 3.297 and attr store1 > 3.177)
    ((attr store1 < 1.374 and attr store1 > 1.314)
     and bondedto (attr store1 < 39.710 and attr store1 > 38.510))
6 6 0 peak 3843 volume 47524892 hpm1 39.110 ppm1 1.344 ppm2 3.237
!# peak 3844-----------------------------------------------
assi (attr store1 < 3.100 and attr store1 > 2.980)
    ((attr store1 < 4.014 and attr store1 > 3.954)
     and bondedto (attr store1 < 39.689 and attr store1 > 38.489))
6 6 0 peak 3844 volume 441234304 hpm1 39.089 ppm1 3.984 ppm2 3.040
!# peak 3845-----------------------------------------------
assi (attr store1 < 3.066 and attr store1 > 2.946)
    ((attr store1 < 1.372 and attr store1 > 1.312)
     and bondedto (attr store1 < 39.712 and attr store1 > 38.512))
6 6 0 peak 3845 volume 261826896 hpm1 39.112 ppm1 1.342 ppm2 3.006
!# peak 3847-----------------------------------------------
assi (attr store1 < 2.508 and attr store1 > 2.388)
    ((attr store1 < 1.372 and attr store1 > 1.312)
     and bondedto (attr store1 < 39.714 and attr store1 > 38.514))
6 6 0 peak 3847 volume 198273904 hpm1 39.114 ppm1 1.342 ppm2 2.448
!# peak 3848-----------------------------------------------
assi (attr store1 < 2.382 and attr store1 > 2.262)
    ((attr store1 < 1.372 and attr store1 > 1.312)
     and bondedto (attr store1 < 39.710 and attr store1 > 38.510))
6 6 0 peak 3848 volume 283363008 hpm1 39.110 ppm1 1.342 ppm2 2.322
!# peak 3850-----------------------------------------------
assi (attr store1 < 2.112 and attr store1 > 1.992)
    ((attr store1 < 1.372 and attr store1 > 1.312)
     and bondedto (attr store1 < 39.711 and attr store1 > 38.511))
6 6 0 peak 3850 volume 263280208 hpm1 39.111 ppm1 1.342 ppm2 2.052
!# peak 3852-----------------------------------------------
assi (attr store1 < 1.658 and attr store1 > 1.538)
    ((attr store1 < 4.012 and attr store1 > 3.952)
     and bondedto (attr store1 < 39.680 and attr store1 > 38.480))
6 6 0 peak 3852 volume 790794816 hpm1 39.080 ppm1 3.982 ppm2 1.598
!# peak 3856-----------------------------------------------
assi (attr store1 < 1.428 and attr store1 > 1.308)
    ((attr store1 < 4.013 and attr store1 > 3.953)
     and bondedto (attr store1 < 39.685 and attr store1 > 38.485))
6 6 0 peak 3856 volume 549336640 hpm1 39.085 ppm1 3.983 ppm2 1.368
!# peak 3866-----------------------------------------------
assi (attr store1 < 1.154 and attr store1 > 1.034)
    ((attr store1 < 1.371 and attr store1 > 1.311)
     and bondedto (attr store1 < 39.707 and attr store1 > 38.507))
6 6 0 peak 3866 volume 53532304 hpm1 39.107 ppm1 1.341 ppm2 1.094
!# peak 3872-----------------------------------------------
assi (attr store1 < 0.782 and attr store1 > 0.662)
    ((attr store1 < 1.372 and attr store1 > 1.312)
     and bondedto (attr store1 < 39.712 and attr store1 > 38.512))
6 6 0 peak 3872 volume 247400992 hpm1 39.112 ppm1 1.342 ppm2 0.722
!# peak 3873-----------------------------------------------
assi (attr store1 < 0.518 and attr store1 > 0.398)
    ((attr store1 < 1.373 and attr store1 > 1.313)
     and bondedto (attr store1 < 39.712 and attr store1 > 38.512))
6 6 0 peak 3873 volume 69212184 hpm1 39.112 ppm1 1.343 ppm2 0.458
!# peak 3874-----------------------------------------------
assi (attr store1 < 0.161 and attr store1 > 0.041)
    ((attr store1 < 4.013 and attr store1 > 3.953)
     and bondedto (attr store1 < 39.688 and attr store1 > 38.488))
6 6 0 peak 3874 volume 139234096 hpm1 39.088 ppm1 3.983 ppm2 0.101
!# peak 3875-----------------------------------------------
assi (attr store1 < 0.161 and attr store1 > 0.041)
    ((attr store1 < 1.371 and attr store1 > 1.311)
     and bondedto (attr store1 < 39.711 and attr store1 > 38.511))
6 6 0 peak 3875 volume 406875488 hpm1 39.111 ppm1 1.341 ppm2 0.101
!# peak 3880-----------------------------------------------
assi (attr store1 < 8.801 and attr store1 > 8.681)
    ((attr store1 < 3.053 and attr store1 > 2.993)
     and bondedto (attr store1 < 39.488 and attr store1 > 38.288))
6 6 0 peak 3880 volume 50433068 hpm1 38.888 ppm1 3.023 ppm2 8.741
!# peak 3881-----------------------------------------------
assi (attr store1 < 8.792 and attr store1 > 8.672)
    ((attr store1 < 2.668 and attr store1 > 2.608)
     and bondedto (attr store1 < 39.484 and attr store1 > 38.284))
6 6 0 peak 3881 volume 81950360 hpm1 38.884 ppm1 2.638 ppm2 8.732
!# peak 3886-----------------------------------------------
assi (attr store1 < 7.620 and attr store1 > 7.500)
    ((attr store1 < 2.668 and attr store1 > 2.608)
     and bondedto (attr store1 < 39.483 and attr store1 > 38.283))
6 6 0 peak 3886 volume 52078120 hpm1 38.883 ppm1 2.638 ppm2 7.560
!# peak 3888-----------------------------------------------
assi (attr store1 < 7.014 and attr store1 > 6.894)
    ((attr store1 < 4.013 and attr store1 > 3.953)
     and bondedto (attr store1 < 39.515 and attr store1 > 38.315))
6 6 0 peak 3888 volume 30131688 hpm1 38.915 ppm1 3.983 ppm2 6.954
!# peak 3889-----------------------------------------------
assi (attr store1 < 6.969 and attr store1 > 6.849)
    ((attr store1 < 2.667 and attr store1 > 2.607)
     and bondedto (attr store1 < 39.493 and attr store1 > 38.293))
6 6 0 peak 3889 volume 82872640 hpm1 38.893 ppm1 2.637 ppm2 6.909
!# peak 3898-----------------------------------------------
assi (attr store1 < 5.104 and attr store1 > 4.984)
    ((attr store1 < 4.013 and attr store1 > 3.953)
     and bondedto (attr store1 < 39.495 and attr store1 > 38.295))
6 6 0 peak 3898 volume 32411640 hpm1 38.895 ppm1 3.983 ppm2 5.044
!# peak 3899-----------------------------------------------
assi (attr store1 < 5.019 and attr store1 > 4.899)
    ((attr store1 < 3.051 and attr store1 > 2.991)
     and bondedto (attr store1 < 39.487 and attr store1 > 38.287))
6 6 0 peak 3899 volume 264171600 hpm1 38.887 ppm1 3.021 ppm2 4.959
!# peak 3900-----------------------------------------------
assi (attr store1 < 5.020 and attr store1 > 4.900)
    ((attr store1 < 2.670 and attr store1 > 2.610)
     and bondedto (attr store1 < 39.485 and attr store1 > 38.285))
6 6 0 peak 3900 volume 187080000 hpm1 38.885 ppm1 2.640 ppm2 4.960
!# peak 3905-----------------------------------------------
assi (attr store1 < 3.103 and attr store1 > 2.983)
    ((attr store1 < 2.670 and attr store1 > 2.610)
     and bondedto (attr store1 < 39.484 and attr store1 > 38.284))
6 6 0 peak 3905 volume 1356209024 hpm1 38.884 ppm1 2.640 ppm2 3.043
!# peak 3906-----------------------------------------------
assi (attr store1 < 2.732 and attr store1 > 2.612)
    ((attr store1 < 3.051 and attr store1 > 2.991)
     and bondedto (attr store1 < 39.485 and attr store1 > 38.285))
6 6 0 peak 3906 volume 1645645056 hpm1 38.885 ppm1 3.021 ppm2 2.672
!# peak 3908-----------------------------------------------
assi (attr store1 < 2.053 and attr store1 > 1.933)
    ((attr store1 < 4.013 and attr store1 > 3.953)
     and bondedto (attr store1 < 39.491 and attr store1 > 38.291))
6 6 0 peak 3908 volume 465554208 hpm1 38.891 ppm1 3.983 ppm2 1.993
!# peak 3909-----------------------------------------------
assi (attr store1 < 1.336 and attr store1 > 1.216)
    ((attr store1 < 2.669 and attr store1 > 2.609)
     and bondedto (attr store1 < 39.489 and attr store1 > 38.289))
6 6 0 peak 3909 volume 56635892 hpm1 38.889 ppm1 2.639 ppm2 1.276
!# peak 3915-----------------------------------------------
assi (attr store1 < 8.986 and attr store1 > 8.866)
    ((attr store1 < 4.011 and attr store1 > 3.951)
     and bondedto (attr store1 < 39.345 and attr store1 > 38.145))
6 6 0 peak 3915 volume 232833904 hpm1 38.745 ppm1 3.981 ppm2 8.926
!# peak 3916-----------------------------------------------
assi (attr store1 < 8.102 and attr store1 > 7.982)
    ((attr store1 < 4.009 and attr store1 > 3.949)
     and bondedto (attr store1 < 39.352 and attr store1 > 38.152))
6 6 0 peak 3916 volume 328651296 hpm1 38.752 ppm1 3.979 ppm2 8.042
!# peak 3917-----------------------------------------------
assi (attr store1 < 7.836 and attr store1 > 7.716)
    ((attr store1 < 3.944 and attr store1 > 3.884)
     and bondedto (attr store1 < 39.343 and attr store1 > 38.143))
6 6 0 peak 3917 volume 419781888 hpm1 38.743 ppm1 3.914 ppm2 7.776
!# peak 3921-----------------------------------------------
assi (attr store1 < 4.787 and attr store1 > 4.667)
    ((attr store1 < 4.010 and attr store1 > 3.950)
     and bondedto (attr store1 < 39.351 and attr store1 > 38.151))
6 6 0 peak 3921 volume 330525184 hpm1 38.751 ppm1 3.980 ppm2 4.727
!# peak 3922-----------------------------------------------
assi (attr store1 < 4.787 and attr store1 > 4.667)
    ((attr store1 < 2.670 and attr store1 > 2.610)
     and bondedto (attr store1 < 39.351 and attr store1 > 38.151))
6 6 0 peak 3922 volume 68669728 hpm1 38.751 ppm1 2.640 ppm2 4.727
!# peak 3924-----------------------------------------------
assi (attr store1 < 4.288 and attr store1 > 4.168)
    ((attr store1 < 3.944 and attr store1 > 3.884)
     and bondedto (attr store1 < 39.325 and attr store1 > 38.125))
6 6 0 peak 3924 volume 658530688 hpm1 38.725 ppm1 3.914 ppm2 4.228
!# peak 3927-----------------------------------------------
assi (attr store1 < 3.655 and attr store1 > 3.535)
    ((attr store1 < 3.943 and attr store1 > 3.883)
     and bondedto (attr store1 < 39.327 and attr store1 > 38.127))
6 6 0 peak 3927 volume 102288400 hpm1 38.727 ppm1 3.913 ppm2 3.595
!# peak 3934-----------------------------------------------
assi (attr store1 < 0.841 and attr store1 > 0.721)
    ((attr store1 < 4.012 and attr store1 > 3.952)
     and bondedto (attr store1 < 39.339 and attr store1 > 38.139))
6 6 0 peak 3934 volume 975829120 hpm1 38.739 ppm1 3.982 ppm2 0.781
!# peak 3935-----------------------------------------------
assi (attr store1 < 0.701 and attr store1 > 0.581)
    ((attr store1 < 4.011 and attr store1 > 3.951)
     and bondedto (attr store1 < 39.343 and attr store1 > 38.143))
6 6 0 peak 3935 volume 623648384 hpm1 38.743 ppm1 3.981 ppm2 0.641
!# peak 3944-----------------------------------------------
assi (attr store1 < 7.873 and attr store1 > 7.753)
    ((attr store1 < 2.240 and attr store1 > 2.180)
     and bondedto (attr store1 < 39.137 and attr store1 > 37.937))
6 6 0 peak 3944 volume 375657504 hpm1 38.537 ppm1 2.210 ppm2 7.813
!# peak 3945-----------------------------------------------
assi (attr store1 < 7.519 and attr store1 > 7.399)
    ((attr store1 < 3.034 and attr store1 > 2.974)
     and bondedto (attr store1 < 39.116 and attr store1 > 37.916))
6 6 0 peak 3945 volume 126292792 hpm1 38.516 ppm1 3.004 ppm2 7.459
!# peak 3946-----------------------------------------------
assi (attr store1 < 7.516 and attr store1 > 7.396)
    ((attr store1 < 2.372 and attr store1 > 2.312)
     and bondedto (attr store1 < 39.112 and attr store1 > 37.912))
6 6 0 peak 3946 volume 88284280 hpm1 38.512 ppm1 2.342 ppm2 7.456
!# peak 3947-----------------------------------------------
assi (attr store1 < 7.237 and attr store1 > 7.117)
    ((attr store1 < 2.254 and attr store1 > 2.194)
     and bondedto (attr store1 < 39.136 and attr store1 > 37.936))
6 6 0 peak 3947 volume 118156000 hpm1 38.536 ppm1 2.224 ppm2 7.177
!# peak 3955-----------------------------------------------
assi (attr store1 < 4.788 and attr store1 > 4.668)
    ((attr store1 < 3.033 and attr store1 > 2.973)
     and bondedto (attr store1 < 39.129 and attr store1 > 37.929))
6 6 0 peak 3955 volume 219810304 hpm1 38.529 ppm1 3.003 ppm2 4.728
!# peak 3956-----------------------------------------------
assi (attr store1 < 4.510 and attr store1 > 4.390)
    ((attr store1 < 3.032 and attr store1 > 2.972)
     and bondedto (attr store1 < 39.095 and attr store1 > 37.895))
6 6 0 peak 3956 volume 93347296 hpm1 38.495 ppm1 3.002 ppm2 4.450
!# peak 3960-----------------------------------------------
assi (attr store1 < 3.434 and attr store1 > 3.314)
    ((attr store1 < 2.241 and attr store1 > 2.181)
     and bondedto (attr store1 < 39.133 and attr store1 > 37.933))
6 6 0 peak 3960 volume 33162328 hpm1 38.533 ppm1 2.211 ppm2 3.374
!# peak 3968-----------------------------------------------
assi (attr store1 < 1.568 and attr store1 > 1.448)
    ((attr store1 < 2.240 and attr store1 > 2.180)
     and bondedto (attr store1 < 39.136 and attr store1 > 37.936))
6 6 0 peak 3968 volume 387782688 hpm1 38.536 ppm1 2.210 ppm2 1.508
!# peak 3969-----------------------------------------------
assi (attr store1 < 1.369 and attr store1 > 1.249)
    ((attr store1 < 2.240 and attr store1 > 2.180)
     and bondedto (attr store1 < 39.137 and attr store1 > 37.937))
6 6 0 peak 3969 volume 192627408 hpm1 38.537 ppm1 2.210 ppm2 1.309
!# peak 3970-----------------------------------------------
assi (attr store1 < 1.335 and attr store1 > 1.215)
    ((attr store1 < 3.032 and attr store1 > 2.972)
     and bondedto (attr store1 < 39.121 and attr store1 > 37.921))
6 6 0 peak 3970 volume 404585696 hpm1 38.521 ppm1 3.002 ppm2 1.275
!# peak 3971-----------------------------------------------
assi (attr store1 < 1.185 and attr store1 > 1.065)
    ((attr store1 < 2.239 and attr store1 > 2.179)
     and bondedto (attr store1 < 39.137 and attr store1 > 37.937))
6 6 0 peak 3971 volume 720244544 hpm1 38.537 ppm1 2.209 ppm2 1.125
!# peak 3973-----------------------------------------------
assi (attr store1 < 0.835 and attr store1 > 0.715)
    ((attr store1 < 3.031 and attr store1 > 2.971)
     and bondedto (attr store1 < 39.113 and attr store1 > 37.913))
6 6 0 peak 3973 volume 307674496 hpm1 38.513 ppm1 3.001 ppm2 0.775
!# peak 3974-----------------------------------------------
assi (attr store1 < 0.779 and attr store1 > 0.659)
    ((attr store1 < 2.240 and attr store1 > 2.180)
     and bondedto (attr store1 < 39.136 and attr store1 > 37.936))
6 6 0 peak 3974 volume 344541312 hpm1 38.536 ppm1 2.210 ppm2 0.719
!# peak 3983-----------------------------------------------
assi (attr store1 < 8.298 and attr store1 > 8.178)
    ((attr store1 < 3.031 and attr store1 > 2.971)
     and bondedto (attr store1 < 38.969 and attr store1 > 37.769))
6 6 0 peak 3983 volume 140756800 hpm1 38.369 ppm1 3.001 ppm2 8.238
!# peak 3984-----------------------------------------------
assi (attr store1 < 8.297 and attr store1 > 8.177)
    ((attr store1 < 2.371 and attr store1 > 2.311)
     and bondedto (attr store1 < 38.973 and attr store1 > 37.773))
6 6 0 peak 3984 volume 111966904 hpm1 38.373 ppm1 2.341 ppm2 8.237
!# peak 3986-----------------------------------------------
assi (attr store1 < 7.691 and attr store1 > 7.571)
    ((attr store1 < 4.036 and attr store1 > 3.976)
     and bondedto (attr store1 < 38.937 and attr store1 > 37.737))
6 6 0 peak 3986 volume 1074571008 hpm1 38.337 ppm1 4.006 ppm2 7.631
!# peak 3987-----------------------------------------------
assi (attr store1 < 7.279 and attr store1 > 7.159)
    ((attr store1 < 2.372 and attr store1 > 2.312)
     and bondedto (attr store1 < 38.972 and attr store1 > 37.772))
6 6 0 peak 3987 volume 248414000 hpm1 38.372 ppm1 2.342 ppm2 7.219
!# peak 3988-----------------------------------------------
assi (attr store1 < 7.250 and attr store1 > 7.130)
    ((attr store1 < 3.030 and attr store1 > 2.970)
     and bondedto (attr store1 < 38.972 and attr store1 > 37.772))
6 6 0 peak 3988 volume 397411488 hpm1 38.372 ppm1 3.000 ppm2 7.190
!# peak 3989-----------------------------------------------
assi (attr store1 < 6.657 and attr store1 > 6.537)
    ((attr store1 < 3.031 and attr store1 > 2.971)
     and bondedto (attr store1 < 38.973 and attr store1 > 37.773))
6 6 0 peak 3989 volume 332924608 hpm1 38.373 ppm1 3.001 ppm2 6.597
!# peak 3990-----------------------------------------------
assi (attr store1 < 6.655 and attr store1 > 6.535)
    ((attr store1 < 2.372 and attr store1 > 2.312)
     and bondedto (attr store1 < 38.971 and attr store1 > 37.771))
6 6 0 peak 3990 volume 159643696 hpm1 38.371 ppm1 2.342 ppm2 6.595
!# peak 3992-----------------------------------------------
assi (attr store1 < 4.471 and attr store1 > 4.351)
    ((attr store1 < 2.914 and attr store1 > 2.854)
     and bondedto (attr store1 < 38.937 and attr store1 > 37.737))
6 6 0 peak 3992 volume 159418112 hpm1 38.337 ppm1 2.884 ppm2 4.411
!# peak 3998-----------------------------------------------
assi (attr store1 < 3.076 and attr store1 > 2.956)
    ((attr store1 < 2.375 and attr store1 > 2.315)
     and bondedto (attr store1 < 38.975 and attr store1 > 37.775))
6 6 0 peak 3998 volume 1178174976 hpm1 38.375 ppm1 2.345 ppm2 3.016
!# peak 3999-----------------------------------------------
assi (attr store1 < 2.424 and attr store1 > 2.304)
    ((attr store1 < 3.031 and attr store1 > 2.971)
     and bondedto (attr store1 < 38.976 and attr store1 > 37.776))
6 6 0 peak 3999 volume 1388995072 hpm1 38.376 ppm1 3.001 ppm2 2.364
!# peak 4004-----------------------------------------------
assi (attr store1 < 1.739 and attr store1 > 1.619)
    ((attr store1 < 3.033 and attr store1 > 2.973)
     and bondedto (attr store1 < 38.964 and attr store1 > 37.764))
6 6 0 peak 4004 volume 111264896 hpm1 38.364 ppm1 3.003 ppm2 1.679
!# peak 4005-----------------------------------------------
assi (attr store1 < 1.517 and attr store1 > 1.397)
    ((attr store1 < 3.032 and attr store1 > 2.972)
     and bondedto (attr store1 < 38.967 and attr store1 > 37.767))
6 6 0 peak 4005 volume 180483200 hpm1 38.367 ppm1 3.002 ppm2 1.457
!# peak 4006-----------------------------------------------
assi (attr store1 < 1.336 and attr store1 > 1.216)
    ((attr store1 < 2.369 and attr store1 > 2.309)
     and bondedto (attr store1 < 38.972 and attr store1 > 37.772))
6 6 0 peak 4006 volume 267029792 hpm1 38.372 ppm1 2.339 ppm2 1.276
!# peak 4007-----------------------------------------------
assi (attr store1 < 1.153 and attr store1 > 1.033)
    ((attr store1 < 4.036 and attr store1 > 3.976)
     and bondedto (attr store1 < 38.936 and attr store1 > 37.736))
6 6 0 peak 4007 volume 775942080 hpm1 38.336 ppm1 4.006 ppm2 1.093
!# peak 4008-----------------------------------------------
assi (attr store1 < 0.840 and attr store1 > 0.720)
    ((attr store1 < 2.375 and attr store1 > 2.315)
     and bondedto (attr store1 < 38.972 and attr store1 > 37.772))
6 6 0 peak 4008 volume 322562816 hpm1 38.372 ppm1 2.345 ppm2 0.780
!# peak 4013-----------------------------------------------
assi (attr store1 < 10.300 and attr store1 > 10.180)
    ((attr store1 < 1.397 and attr store1 > 1.337)
     and bondedto (attr store1 < 38.745 and attr store1 > 37.545))
6 6 0 peak 4013 volume 73451800 hpm1 38.145 ppm1 1.367 ppm2 10.240
!# peak 4021-----------------------------------------------
assi (attr store1 < 7.969 and attr store1 > 7.849)
    ((attr store1 < 2.914 and attr store1 > 2.854)
     and bondedto (attr store1 < 38.763 and attr store1 > 37.563))
6 6 0 peak 4021 volume 93900960 hpm1 38.163 ppm1 2.884 ppm2 7.909
!# peak 4022-----------------------------------------------
assi (attr store1 < 7.922 and attr store1 > 7.802)
    ((attr store1 < 1.395 and attr store1 > 1.335)
     and bondedto (attr store1 < 38.738 and attr store1 > 37.538))
6 6 0 peak 4022 volume 30781720 hpm1 38.138 ppm1 1.365 ppm2 7.862
!# peak 4023-----------------------------------------------
assi (attr store1 < 7.782 and attr store1 > 7.662)
    ((attr store1 < 1.395 and attr store1 > 1.335)
     and bondedto (attr store1 < 38.739 and attr store1 > 37.539))
6 6 0 peak 4023 volume 21415640 hpm1 38.139 ppm1 1.365 ppm2 7.722
!# peak 4024-----------------------------------------------
assi (attr store1 < 7.572 and attr store1 > 7.452)
    ((attr store1 < 1.395 and attr store1 > 1.335)
     and bondedto (attr store1 < 38.744 and attr store1 > 37.544))
6 6 0 peak 4024 volume 40422140 hpm1 38.144 ppm1 1.365 ppm2 7.512
!# peak 4027-----------------------------------------------
assi (attr store1 < 7.202 and attr store1 > 7.082)
    ((attr store1 < 3.171 and attr store1 > 3.111)
     and bondedto (attr store1 < 38.764 and attr store1 > 37.564))
6 6 0 peak 4027 volume 542799680 hpm1 38.164 ppm1 3.141 ppm2 7.142
!# peak 4028-----------------------------------------------
assi (attr store1 < 7.206 and attr store1 > 7.086)
    ((attr store1 < 2.914 and attr store1 > 2.854)
     and bondedto (attr store1 < 38.767 and attr store1 > 37.567))
6 6 0 peak 4028 volume 419281888 hpm1 38.167 ppm1 2.884 ppm2 7.146
!# peak 4029-----------------------------------------------
assi (attr store1 < 7.101 and attr store1 > 6.981)
    ((attr store1 < 1.396 and attr store1 > 1.336)
     and bondedto (attr store1 < 38.750 and attr store1 > 37.550))
6 6 0 peak 4029 volume 15305100 hpm1 38.150 ppm1 1.366 ppm2 7.041
!# peak 4030-----------------------------------------------
assi (attr store1 < 6.888 and attr store1 > 6.768)
    ((attr store1 < 2.917 and attr store1 > 2.857)
     and bondedto (attr store1 < 38.779 and attr store1 > 37.579))
6 6 0 peak 4030 volume 191051504 hpm1 38.179 ppm1 2.887 ppm2 6.828
!# peak 4031-----------------------------------------------
assi (attr store1 < 6.425 and attr store1 > 6.305)
    ((attr store1 < 1.396 and attr store1 > 1.336)
     and bondedto (attr store1 < 38.747 and attr store1 > 37.547))
6 6 0 peak 4031 volume 61711360 hpm1 38.147 ppm1 1.366 ppm2 6.365
!# peak 4041-----------------------------------------------
assi (attr store1 < 3.841 and attr store1 > 3.721)
    ((attr store1 < 1.394 and attr store1 > 1.334)
     and bondedto (attr store1 < 38.743 and attr store1 > 37.543))
6 6 0 peak 4041 volume 63424860 hpm1 38.143 ppm1 1.364 ppm2 3.781
!# peak 4043-----------------------------------------------
assi (attr store1 < 3.643 and attr store1 > 3.523)
    ((attr store1 < 1.397 and attr store1 > 1.337)
     and bondedto (attr store1 < 38.755 and attr store1 > 37.555))
6 6 0 peak 4043 volume 39819212 hpm1 38.155 ppm1 1.367 ppm2 3.583
!# peak 4044-----------------------------------------------
assi (attr store1 < 3.470 and attr store1 > 3.350)
    ((attr store1 < 1.396 and attr store1 > 1.336)
     and bondedto (attr store1 < 38.744 and attr store1 > 37.544))
6 6 0 peak 4044 volume 78391376 hpm1 38.144 ppm1 1.366 ppm2 3.410
!# peak 4046-----------------------------------------------
assi (attr store1 < 3.233 and attr store1 > 3.113)
    ((attr store1 < 2.914 and attr store1 > 2.854)
     and bondedto (attr store1 < 38.769 and attr store1 > 37.569))
6 6 0 peak 4046 volume 0.3038934e+10 hpm1 38.169 ppm1 2.884 ppm2 3.173
!# peak 4047-----------------------------------------------
assi (attr store1 < 2.965 and attr store1 > 2.845)
    ((attr store1 < 3.170 and attr store1 > 3.110)
     and bondedto (attr store1 < 38.769 and attr store1 > 37.569))
6 6 0 peak 4047 volume 0.5087168e+10 hpm1 38.169 ppm1 3.140 ppm2 2.905
!# peak 4052-----------------------------------------------
assi (attr store1 < 2.283 and attr store1 > 2.163)
    ((attr store1 < 4.035 and attr store1 > 3.975)
     and bondedto (attr store1 < 38.777 and attr store1 > 37.577))
6 6 0 peak 4052 volume 321176416 hpm1 38.177 ppm1 4.005 ppm2 2.223
!# peak 4054-----------------------------------------------
assi (attr store1 < 1.874 and attr store1 > 1.754)
    ((attr store1 < 1.395 and attr store1 > 1.335)
     and bondedto (attr store1 < 38.753 and attr store1 > 37.553))
6 6 0 peak 4054 volume 98172656 hpm1 38.153 ppm1 1.365 ppm2 1.814
!# peak 4059-----------------------------------------------
assi (attr store1 < 1.058 and attr store1 > 0.938)
    ((attr store1 < 1.396 and attr store1 > 1.336)
     and bondedto (attr store1 < 38.747 and attr store1 > 37.547))
6 6 0 peak 4059 volume 202714704 hpm1 38.147 ppm1 1.366 ppm2 0.998
!# peak 4063-----------------------------------------------
assi (attr store1 < 0.520 and attr store1 > 0.400)
    ((attr store1 < 1.395 and attr store1 > 1.335)
     and bondedto (attr store1 < 38.745 and attr store1 > 37.545))
6 6 0 peak 4063 volume 252344096 hpm1 38.145 ppm1 1.365 ppm2 0.460
!# peak 4064-----------------------------------------------
assi (attr store1 < -0.082 and attr store1 > -0.202)
    ((attr store1 < 1.395 and attr store1 > 1.335)
     and bondedto (attr store1 < 38.750 and attr store1 > 37.550))
6 6 0 peak 4064 volume 413806208 hpm1 38.150 ppm1 1.365 ppm2 -0.142
!# peak 4069-----------------------------------------------
assi (attr store1 < 8.508 and attr store1 > 8.388)
    ((attr store1 < 1.965 and attr store1 > 1.905)
     and bondedto (attr store1 < 38.587 and attr store1 > 37.387))
6 6 0 peak 4069 volume 235508000 hpm1 37.987 ppm1 1.935 ppm2 8.448
!# peak 4074-----------------------------------------------
assi (attr store1 < 8.020 and attr store1 > 7.900)
    ((attr store1 < 1.965 and attr store1 > 1.905)
     and bondedto (attr store1 < 38.581 and attr store1 > 37.381))
6 6 0 peak 4074 volume 108982000 hpm1 37.981 ppm1 1.935 ppm2 7.960
!# peak 4075-----------------------------------------------
assi (attr store1 < 7.888 and attr store1 > 7.768)
    ((attr store1 < 2.459 and attr store1 > 2.399)
     and bondedto (attr store1 < 38.572 and attr store1 > 37.372))
6 6 0 peak 4075 volume 276506400 hpm1 37.972 ppm1 2.429 ppm2 7.828
!# peak 4077-----------------------------------------------
assi (attr store1 < 6.927 and attr store1 > 6.807)
    ((attr store1 < 3.233 and attr store1 > 3.173)
     and bondedto (attr store1 < 38.569 and attr store1 > 37.369))
6 6 0 peak 4077 volume 411494624 hpm1 37.969 ppm1 3.203 ppm2 6.867
!# peak 4078-----------------------------------------------
assi (attr store1 < 6.930 and attr store1 > 6.810)
    ((attr store1 < 2.459 and attr store1 > 2.399)
     and bondedto (attr store1 < 38.572 and attr store1 > 37.372))
6 6 0 peak 4078 volume 401789824 hpm1 37.972 ppm1 2.429 ppm2 6.870
!# peak 4093-----------------------------------------------
assi (attr store1 < 3.786 and attr store1 > 3.666)
    ((attr store1 < 1.965 and attr store1 > 1.905)
     and bondedto (attr store1 < 38.582 and attr store1 > 37.382))
6 6 0 peak 4093 volume 193613392 hpm1 37.982 ppm1 1.935 ppm2 3.726
!# peak 4098-----------------------------------------------
assi (attr store1 < 3.298 and attr store1 > 3.178)
    ((attr store1 < 2.465 and attr store1 > 2.405)
     and bondedto (attr store1 < 38.572 and attr store1 > 37.372))
6 6 0 peak 4098 volume 1183437056 hpm1 37.972 ppm1 2.435 ppm2 3.238
!# peak 4100-----------------------------------------------
assi (attr store1 < 2.514 and attr store1 > 2.394)
    ((attr store1 < 3.235 and attr store1 > 3.175)
     and bondedto (attr store1 < 38.573 and attr store1 > 37.373))
6 6 0 peak 4100 volume 1376361984 hpm1 37.973 ppm1 3.205 ppm2 2.454
!# peak 4102-----------------------------------------------
assi (attr store1 < 2.464 and attr store1 > 2.344)
    ((attr store1 < 4.016 and attr store1 > 3.956)
     and bondedto (attr store1 < 38.564 and attr store1 > 37.364))
6 6 0 peak 4102 volume 81248848 hpm1 37.964 ppm1 3.986 ppm2 2.404
!# peak 4109-----------------------------------------------
assi (attr store1 < 1.706 and attr store1 > 1.586)
    ((attr store1 < 1.965 and attr store1 > 1.905)
     and bondedto (attr store1 < 38.581 and attr store1 > 37.381))
6 6 0 peak 4109 volume 1812595968 hpm1 37.981 ppm1 1.935 ppm2 1.646
!# peak 4110-----------------------------------------------
assi (attr store1 < 1.836 and attr store1 > 1.716)
    ((attr store1 < 3.232 and attr store1 > 3.172)
     and bondedto (attr store1 < 38.572 and attr store1 > 37.372))
6 6 0 peak 4110 volume 197225792 hpm1 37.972 ppm1 3.202 ppm2 1.776
!# peak 4111-----------------------------------------------
assi (attr store1 < 1.647 and attr store1 > 1.527)
    ((attr store1 < 2.458 and attr store1 > 2.398)
     and bondedto (attr store1 < 38.572 and attr store1 > 37.372))
6 6 0 peak 4111 volume 315699008 hpm1 37.972 ppm1 2.428 ppm2 1.587
!# peak 4113-----------------------------------------------
assi (attr store1 < 1.424 and attr store1 > 1.304)
    ((attr store1 < 3.235 and attr store1 > 3.175)
     and bondedto (attr store1 < 38.573 and attr store1 > 37.373))
6 6 0 peak 4113 volume 126872600 hpm1 37.973 ppm1 3.205 ppm2 1.364
!# peak 4117-----------------------------------------------
assi (attr store1 < 1.051 and attr store1 > 0.931)
    ((attr store1 < 1.965 and attr store1 > 1.905)
     and bondedto (attr store1 < 38.584 and attr store1 > 37.384))
6 6 0 peak 4117 volume 606775552 hpm1 37.984 ppm1 1.935 ppm2 0.991
!# peak 4118-----------------------------------------------
assi (attr store1 < 0.920 and attr store1 > 0.800)
    ((attr store1 < 3.233 and attr store1 > 3.173)
     and bondedto (attr store1 < 38.572 and attr store1 > 37.372))
6 6 0 peak 4118 volume 417482624 hpm1 37.972 ppm1 3.203 ppm2 0.860
!# peak 4119-----------------------------------------------
assi (attr store1 < 0.918 and attr store1 > 0.798)
    ((attr store1 < 2.460 and attr store1 > 2.400)
     and bondedto (attr store1 < 38.575 and attr store1 > 37.375))
6 6 0 peak 4119 volume 213700288 hpm1 37.975 ppm1 2.430 ppm2 0.858
!# peak 4120-----------------------------------------------
assi (attr store1 < 0.888 and attr store1 > 0.768)
    ((attr store1 < 1.965 and attr store1 > 1.905)
     and bondedto (attr store1 < 38.583 and attr store1 > 37.383))
6 6 0 peak 4120 volume 467690304 hpm1 37.983 ppm1 1.935 ppm2 0.828
!# peak 4121-----------------------------------------------
assi (attr store1 < 0.707 and attr store1 > 0.587)
    ((attr store1 < 3.235 and attr store1 > 3.175)
     and bondedto (attr store1 < 38.573 and attr store1 > 37.373))
6 6 0 peak 4121 volume 170432496 hpm1 37.973 ppm1 3.205 ppm2 0.647
!# peak 4122-----------------------------------------------
assi (attr store1 < 0.701 and attr store1 > 0.581)
    ((attr store1 < 2.459 and attr store1 > 2.399)
     and bondedto (attr store1 < 38.575 and attr store1 > 37.375))
6 6 0 peak 4122 volume 310519488 hpm1 37.975 ppm1 2.429 ppm2 0.641
!# peak 4123-----------------------------------------------
assi (attr store1 < 0.465 and attr store1 > 0.345)
    ((attr store1 < 3.235 and attr store1 > 3.175)
     and bondedto (attr store1 < 38.573 and attr store1 > 37.373))
6 6 0 peak 4123 volume 199050496 hpm1 37.973 ppm1 3.205 ppm2 0.405
!# peak 4124-----------------------------------------------
assi (attr store1 < 0.433 and attr store1 > 0.313)
    ((attr store1 < 2.460 and attr store1 > 2.400)
     and bondedto (attr store1 < 38.573 and attr store1 > 37.373))
6 6 0 peak 4124 volume 135632800 hpm1 37.973 ppm1 2.430 ppm2 0.373
!# peak 4125-----------------------------------------------
assi (attr store1 < 0.328 and attr store1 > 0.208)
    ((attr store1 < 1.966 and attr store1 > 1.906)
     and bondedto (attr store1 < 38.594 and attr store1 > 37.394))
6 6 0 peak 4125 volume 62553640 hpm1 37.994 ppm1 1.936 ppm2 0.268
!# peak 4131-----------------------------------------------
assi (attr store1 < 8.657 and attr store1 > 8.537)
    ((attr store1 < 2.601 and attr store1 > 2.541)
     and bondedto (attr store1 < 38.367 and attr store1 > 37.167))
6 6 0 peak 4131 volume 240440608 hpm1 37.767 ppm1 2.571 ppm2 8.597
!# peak 4132-----------------------------------------------
assi (attr store1 < 8.653 and attr store1 > 8.533)
    ((attr store1 < 2.169 and attr store1 > 2.109)
     and bondedto (attr store1 < 38.368 and attr store1 > 37.168))
6 6 0 peak 4132 volume 113030600 hpm1 37.768 ppm1 2.139 ppm2 8.593
!# peak 4133-----------------------------------------------
assi (attr store1 < 8.105 and attr store1 > 7.985)
    ((attr store1 < 3.353 and attr store1 > 3.293)
     and bondedto (attr store1 < 38.387 and attr store1 > 37.187))
6 6 0 peak 4133 volume 204112496 hpm1 37.787 ppm1 3.323 ppm2 8.045
!# peak 4134-----------------------------------------------
assi (attr store1 < 8.104 and attr store1 > 7.984)
    ((attr store1 < 3.239 and attr store1 > 3.179)
     and bondedto (attr store1 < 38.387 and attr store1 > 37.187))
6 6 0 peak 4134 volume 178422400 hpm1 37.787 ppm1 3.209 ppm2 8.044
!# peak 4135-----------------------------------------------
assi (attr store1 < 7.873 and attr store1 > 7.753)
    ((attr store1 < 3.353 and attr store1 > 3.293)
     and bondedto (attr store1 < 38.393 and attr store1 > 37.193))
6 6 0 peak 4135 volume 589070656 hpm1 37.793 ppm1 3.323 ppm2 7.813
!# peak 4136-----------------------------------------------
assi (attr store1 < 7.878 and attr store1 > 7.758)
    ((attr store1 < 3.236 and attr store1 > 3.176)
     and bondedto (attr store1 < 38.404 and attr store1 > 37.204))
6 6 0 peak 4136 volume 609700096 hpm1 37.804 ppm1 3.206 ppm2 7.818
!# peak 4138-----------------------------------------------
assi (attr store1 < 7.166 and attr store1 > 7.046)
    ((attr store1 < 3.355 and attr store1 > 3.295)
     and bondedto (attr store1 < 38.392 and attr store1 > 37.192))
6 6 0 peak 4138 volume 362314688 hpm1 37.792 ppm1 3.325 ppm2 7.106
!# peak 4139-----------------------------------------------
assi (attr store1 < 6.917 and attr store1 > 6.797)
    ((attr store1 < 3.351 and attr store1 > 3.291)
     and bondedto (attr store1 < 38.402 and attr store1 > 37.202))
6 6 0 peak 4139 volume 310426816 hpm1 37.802 ppm1 3.321 ppm2 6.857
!# peak 4196-----------------------------------------------
assi (attr store1 < 4.362 and attr store1 > 4.242)
    ((attr store1 < 3.354 and attr store1 > 3.294)
     and bondedto (attr store1 < 38.381 and attr store1 > 37.181))
6 6 0 peak 4196 volume 1812301 hpm1 37.781 ppm1 3.324 ppm2 4.302
!# peak 4197-----------------------------------------------
assi (attr store1 < 4.366 and attr store1 > 4.246)
    ((attr store1 < 3.238 and attr store1 > 3.178)
     and bondedto (attr store1 < 38.397 and attr store1 > 37.197))
6 6 0 peak 4197 volume 174072096 hpm1 37.797 ppm1 3.208 ppm2 4.306
!# peak 4202-----------------------------------------------
assi (attr store1 < 3.781 and attr store1 > 3.661)
    ((attr store1 < 2.599 and attr store1 > 2.539)
     and bondedto (attr store1 < 38.371 and attr store1 > 37.171))
6 6 0 peak 4202 volume 108977304 hpm1 37.771 ppm1 2.569 ppm2 3.721
!# peak 4203-----------------------------------------------
assi (attr store1 < 3.783 and attr store1 > 3.663)
    ((attr store1 < 2.169 and attr store1 > 2.109)
     and bondedto (attr store1 < 38.365 and attr store1 > 37.165))
6 6 0 peak 4203 volume 204433504 hpm1 37.765 ppm1 2.139 ppm2 3.723
!# peak 4206-----------------------------------------------
assi (attr store1 < 3.293 and attr store1 > 3.173)
    ((attr store1 < 2.602 and attr store1 > 2.542)
     and bondedto (attr store1 < 38.382 and attr store1 > 37.182))
6 6 0 peak 4206 volume 23656880 hpm1 37.782 ppm1 2.572 ppm2 3.233
!# peak 4207-----------------------------------------------
assi (attr store1 < 2.643 and attr store1 > 2.523)
    ((attr store1 < 4.015 and attr store1 > 3.955)
     and bondedto (attr store1 < 38.398 and attr store1 > 37.198))
6 6 0 peak 4207 volume 88823696 hpm1 37.798 ppm1 3.985 ppm2 2.583
!# peak 4209-----------------------------------------------
assi (attr store1 < 2.651 and attr store1 > 2.531)
    ((attr store1 < 2.169 and attr store1 > 2.109)
     and bondedto (attr store1 < 38.365 and attr store1 > 37.165))
6 6 0 peak 4209 volume 959942976 hpm1 37.765 ppm1 2.139 ppm2 2.591
!# peak 4210-----------------------------------------------
assi (attr store1 < 2.652 and attr store1 > 2.532)
    ((attr store1 < 1.952 and attr store1 > 1.892)
     and bondedto (attr store1 < 38.366 and attr store1 > 37.166))
6 6 0 peak 4210 volume 39632492 hpm1 37.766 ppm1 1.922 ppm2 2.592
!# peak 4212-----------------------------------------------
assi (attr store1 < 2.211 and attr store1 > 2.091)
    ((attr store1 < 2.602 and attr store1 > 2.542)
     and bondedto (attr store1 < 38.366 and attr store1 > 37.166))
6 6 0 peak 4212 volume 1505970944 hpm1 37.766 ppm1 2.572 ppm2 2.151
!# peak 4215-----------------------------------------------
assi (attr store1 < 2.016 and attr store1 > 1.896)
    ((attr store1 < 2.602 and attr store1 > 2.542)
     and bondedto (attr store1 < 38.367 and attr store1 > 37.167))
6 6 0 peak 4215 volume 1097217024 hpm1 37.767 ppm1 2.572 ppm2 1.956
!# peak 4216-----------------------------------------------
assi (attr store1 < 2.008 and attr store1 > 1.888)
    ((attr store1 < 2.169 and attr store1 > 2.109)
     and bondedto (attr store1 < 38.368 and attr store1 > 37.168))
6 6 0 peak 4216 volume 1038424000 hpm1 37.768 ppm1 2.139 ppm2 1.948
!# peak 4219-----------------------------------------------
assi (attr store1 < 1.725 and attr store1 > 1.605)
    ((attr store1 < 2.604 and attr store1 > 2.544)
     and bondedto (attr store1 < 38.370 and attr store1 > 37.170))
6 6 0 peak 4219 volume 223188288 hpm1 37.770 ppm1 2.574 ppm2 1.665
!# peak 4220-----------------------------------------------
assi (attr store1 < 1.514 and attr store1 > 1.394)
    ((attr store1 < 4.015 and attr store1 > 3.955)
     and bondedto (attr store1 < 38.401 and attr store1 > 37.201))
6 6 0 peak 4220 volume 1002950016 hpm1 37.801 ppm1 3.985 ppm2 1.454
!# peak 4224-----------------------------------------------
assi (attr store1 < 1.054 and attr store1 > 0.934)
    ((attr store1 < 2.600 and attr store1 > 2.540)
     and bondedto (attr store1 < 38.365 and attr store1 > 37.165))
6 6 0 peak 4224 volume 121366600 hpm1 37.765 ppm1 2.570 ppm2 0.994
!# peak 4226-----------------------------------------------
assi (attr store1 < 0.896 and attr store1 > 0.776)
    ((attr store1 < 2.601 and attr store1 > 2.541)
     and bondedto (attr store1 < 38.366 and attr store1 > 37.166))
6 6 0 peak 4226 volume 143442304 hpm1 37.766 ppm1 2.571 ppm2 0.836
!# peak 4230-----------------------------------------------
assi (attr store1 < 9.135 and attr store1 > 9.015)
    ((attr store1 < 4.053 and attr store1 > 3.993)
     and bondedto (attr store1 < 38.223 and attr store1 > 37.023))
6 6 0 peak 4230 volume 39263252 hpm1 37.623 ppm1 4.023 ppm2 9.075
!# peak 4231-----------------------------------------------
assi (attr store1 < 8.379 and attr store1 > 8.259)
    ((attr store1 < 4.059 and attr store1 > 3.999)
     and bondedto (attr store1 < 38.214 and attr store1 > 37.014))
6 6 0 peak 4231 volume 574380544 hpm1 37.614 ppm1 4.029 ppm2 8.319
!# peak 4232-----------------------------------------------
assi (attr store1 < 8.380 and attr store1 > 8.260)
    ((attr store1 < 1.808 and attr store1 > 1.748)
     and bondedto (attr store1 < 38.197 and attr store1 > 36.997))
6 6 0 peak 4232 volume 165920304 hpm1 37.597 ppm1 1.778 ppm2 8.320
!# peak 4233-----------------------------------------------
assi (attr store1 < 8.117 and attr store1 > 7.997)
    ((attr store1 < 1.709 and attr store1 > 1.649)
     and bondedto (attr store1 < 38.210 and attr store1 > 37.010))
6 6 0 peak 4233 volume 206992896 hpm1 37.610 ppm1 1.679 ppm2 8.057
!# peak 4234-----------------------------------------------
assi (attr store1 < 7.933 and attr store1 > 7.813)
    ((attr store1 < 4.055 and attr store1 > 3.995)
     and bondedto (attr store1 < 38.230 and attr store1 > 37.030))
6 6 0 peak 4234 volume 344989376 hpm1 37.630 ppm1 4.025 ppm2 7.873
!# peak 4236-----------------------------------------------
assi (attr store1 < 7.664 and attr store1 > 7.544)
    ((attr store1 < 1.809 and attr store1 > 1.749)
     and bondedto (attr store1 < 38.191 and attr store1 > 36.991))
6 6 0 peak 4236 volume 54103900 hpm1 37.591 ppm1 1.779 ppm2 7.604
!# peak 4239-----------------------------------------------
assi (attr store1 < 7.257 and attr store1 > 7.137)
    ((attr store1 < 4.053 and attr store1 > 3.993)
     and bondedto (attr store1 < 38.227 and attr store1 > 37.027))
6 6 0 peak 4239 volume 99402704 hpm1 37.627 ppm1 4.023 ppm2 7.197
!# peak 4242-----------------------------------------------
assi (attr store1 < 7.156 and attr store1 > 7.036)
    ((attr store1 < 1.708 and attr store1 > 1.648)
     and bondedto (attr store1 < 38.209 and attr store1 > 37.009))
6 6 0 peak 4242 volume 418447296 hpm1 37.609 ppm1 1.678 ppm2 7.096
!# peak 4244-----------------------------------------------
assi (attr store1 < 6.835 and attr store1 > 6.715)
    ((attr store1 < 4.053 and attr store1 > 3.993)
     and bondedto (attr store1 < 38.216 and attr store1 > 37.016))
6 6 0 peak 4244 volume 20917900 hpm1 37.616 ppm1 4.023 ppm2 6.775
!# peak 4282-----------------------------------------------
assi (attr store1 < 3.708 and attr store1 > 3.588)
    ((attr store1 < 4.053 and attr store1 > 3.993)
     and bondedto (attr store1 < 38.223 and attr store1 > 37.023))
6 6 0 peak 4282 volume 299145792 hpm1 37.623 ppm1 4.023 ppm2 3.648
!# peak 4289-----------------------------------------------
assi (attr store1 < 3.290 and attr store1 > 3.170)
    ((attr store1 < 4.053 and attr store1 > 3.993)
     and bondedto (attr store1 < 38.206 and attr store1 > 37.006))
6 6 0 peak 4289 volume 559501120 hpm1 37.606 ppm1 4.023 ppm2 3.230
!# peak 4292-----------------------------------------------
assi (attr store1 < 2.243 and attr store1 > 2.123)
    ((attr store1 < 1.954 and attr store1 > 1.894)
     and bondedto (attr store1 < 38.213 and attr store1 > 37.013))
6 6 0 peak 4292 volume 158982608 hpm1 37.613 ppm1 1.924 ppm2 2.183
!# peak 4299-----------------------------------------------
assi (attr store1 < 1.426 and attr store1 > 1.306)
    ((attr store1 < 1.807 and attr store1 > 1.747)
     and bondedto (attr store1 < 38.196 and attr store1 > 36.996))
6 6 0 peak 4299 volume 370565216 hpm1 37.596 ppm1 1.777 ppm2 1.366
!# peak 4300-----------------------------------------------
assi (attr store1 < 1.429 and attr store1 > 1.309)
    ((attr store1 < 1.708 and attr store1 > 1.648)
     and bondedto (attr store1 < 38.205 and attr store1 > 37.005))
6 6 0 peak 4300 volume 221476592 hpm1 37.605 ppm1 1.678 ppm2 1.369
!# peak 4301-----------------------------------------------
assi (attr store1 < 1.114 and attr store1 > 0.994)
    ((attr store1 < 1.807 and attr store1 > 1.747)
     and bondedto (attr store1 < 38.195 and attr store1 > 36.995))
6 6 0 peak 4301 volume 319012608 hpm1 37.595 ppm1 1.777 ppm2 1.054
!# peak 4302-----------------------------------------------
assi (attr store1 < 1.053 and attr store1 > 0.933)
    ((attr store1 < 1.709 and attr store1 > 1.649)
     and bondedto (attr store1 < 38.206 and attr store1 > 37.006))
6 6 0 peak 4302 volume 178430304 hpm1 37.606 ppm1 1.679 ppm2 0.993
!# peak 4303-----------------------------------------------
assi (attr store1 < 0.888 and attr store1 > 0.768)
    ((attr store1 < 2.168 and attr store1 > 2.108)
     and bondedto (attr store1 < 38.233 and attr store1 > 37.033))
6 6 0 peak 4303 volume 158444112 hpm1 37.633 ppm1 2.138 ppm2 0.828
!# peak 4304-----------------------------------------------
assi (attr store1 < 0.828 and attr store1 > 0.708)
    ((attr store1 < 1.807 and attr store1 > 1.747)
     and bondedto (attr store1 < 38.198 and attr store1 > 36.998))
6 6 0 peak 4304 volume 707323328 hpm1 37.598 ppm1 1.777 ppm2 0.768
!# peak 4305-----------------------------------------------
assi (attr store1 < 0.698 and attr store1 > 0.578)
    ((attr store1 < 1.709 and attr store1 > 1.649)
     and bondedto (attr store1 < 38.206 and attr store1 > 37.006))
6 6 0 peak 4305 volume 365706496 hpm1 37.606 ppm1 1.679 ppm2 0.638
!# peak 4308-----------------------------------------------
assi (attr store1 < 0.459 and attr store1 > 0.339)
    ((attr store1 < 1.710 and attr store1 > 1.650)
     and bondedto (attr store1 < 38.206 and attr store1 > 37.006))
6 6 0 peak 4308 volume 440653280 hpm1 37.606 ppm1 1.680 ppm2 0.399
!# peak 4328-----------------------------------------------
assi (attr store1 < 8.654 and attr store1 > 8.534)
    ((attr store1 < 0.844 and attr store1 > 0.784)
     and bondedto (attr store1 < 37.845 and attr store1 > 36.645))
6 6 0 peak 4328 volume 93417384 hpm1 37.245 ppm1 0.814 ppm2 8.594
!# peak 4329-----------------------------------------------
assi (attr store1 < 8.511 and attr store1 > 8.391)
    ((attr store1 < 2.850 and attr store1 > 2.790)
     and bondedto (attr store1 < 37.804 and attr store1 > 36.604))
6 6 0 peak 4329 volume 8456052 hpm1 37.204 ppm1 2.820 ppm2 8.451
!# peak 4330-----------------------------------------------
assi (attr store1 < 8.516 and attr store1 > 8.396)
    ((attr store1 < 0.843 and attr store1 > 0.783)
     and bondedto (attr store1 < 37.851 and attr store1 > 36.651))
6 6 0 peak 4330 volume 47875868 hpm1 37.251 ppm1 0.813 ppm2 8.456
!# peak 4331-----------------------------------------------
assi (attr store1 < 7.879 and attr store1 > 7.759)
    ((attr store1 < 0.727 and attr store1 > 0.667)
     and bondedto (attr store1 < 37.830 and attr store1 > 36.630))
6 6 0 peak 4331 volume 56885868 hpm1 37.230 ppm1 0.697 ppm2 7.819
!# peak 4332-----------------------------------------------
assi (attr store1 < 7.748 and attr store1 > 7.628)
    ((attr store1 < 2.850 and attr store1 > 2.790)
     and bondedto (attr store1 < 37.807 and attr store1 > 36.607))
6 6 0 peak 4332 volume 233765088 hpm1 37.207 ppm1 2.820 ppm2 7.688
!# peak 4333-----------------------------------------------
assi (attr store1 < 7.667 and attr store1 > 7.547)
    ((attr store1 < 0.718 and attr store1 > 0.658)
     and bondedto (attr store1 < 37.832 and attr store1 > 36.632))
6 6 0 peak 4333 volume 15542769 hpm1 37.232 ppm1 0.688 ppm2 7.607
!# peak 4335-----------------------------------------------
assi (attr store1 < 7.233 and attr store1 > 7.113)
    ((attr store1 < 0.727 and attr store1 > 0.667)
     and bondedto (attr store1 < 37.832 and attr store1 > 36.632))
6 6 0 peak 4335 volume 147448400 hpm1 37.232 ppm1 0.697 ppm2 7.173
!# peak 4336-----------------------------------------------
assi (attr store1 < 7.054 and attr store1 > 6.934)
    ((attr store1 < 0.728 and attr store1 > 0.668)
     and bondedto (attr store1 < 37.826 and attr store1 > 36.626))
6 6 0 peak 4336 volume 37935468 hpm1 37.226 ppm1 0.698 ppm2 6.994
!# peak 4342-----------------------------------------------
assi (attr store1 < 4.101 and attr store1 > 3.981)
    ((attr store1 < 0.727 and attr store1 > 0.667)
     and bondedto (attr store1 < 37.833 and attr store1 > 36.633))
6 6 0 peak 4342 volume 108623896 hpm1 37.233 ppm1 0.697 ppm2 4.041
!# peak 4345-----------------------------------------------
assi (attr store1 < 3.957 and attr store1 > 3.837)
    ((attr store1 < 0.845 and attr store1 > 0.785)
     and bondedto (attr store1 < 37.85 and attr store1 > 36.65))
6 6 0 peak 4345 volume 35206152 hpm1 37.25 ppm1 0.815 ppm2 3.897
!# peak 4346-----------------------------------------------
assi (attr store1 < 3.785 and attr store1 > 3.665)
    ((attr store1 < 0.844 and attr store1 > 0.784)
     and bondedto (attr store1 < 37.846 and attr store1 > 36.646))
6 6 0 peak 4346 volume 321235808 hpm1 37.246 ppm1 0.814 ppm2 3.725
!# peak 4348-----------------------------------------------
assi (attr store1 < 3.430 and attr store1 > 3.310)
    ((attr store1 < 0.728 and attr store1 > 0.668)
     and bondedto (attr store1 < 37.836 and attr store1 > 36.636))
6 6 0 peak 4348 volume 58624880 hpm1 37.236 ppm1 0.698 ppm2 3.370
!# peak 4349-----------------------------------------------
assi (attr store1 < 3.330 and attr store1 > 3.210)
    ((attr store1 < 0.844 and attr store1 > 0.784)
     and bondedto (attr store1 < 37.845 and attr store1 > 36.645))
6 6 0 peak 4349 volume 53456580 hpm1 37.245 ppm1 0.814 ppm2 3.270
!# peak 4350-----------------------------------------------
assi (attr store1 < 3.098 and attr store1 > 2.978)
    ((attr store1 < 4.015 and attr store1 > 3.955)
     and bondedto (attr store1 < 37.825 and attr store1 > 36.625))
6 6 0 peak 4350 volume 138773504 hpm1 37.225 ppm1 3.985 ppm2 3.038
!# peak 4351-----------------------------------------------
assi (attr store1 < 3.013 and attr store1 > 2.893)
    ((attr store1 < 0.729 and attr store1 > 0.669)
     and bondedto (attr store1 < 37.833 and attr store1 > 36.633))
6 6 0 peak 4351 volume 52604700 hpm1 37.233 ppm1 0.699 ppm2 2.953
!# peak 4354-----------------------------------------------
assi (attr store1 < 2.650 and attr store1 > 2.530)
    ((attr store1 < 0.844 and attr store1 > 0.784)
     and bondedto (attr store1 < 37.846 and attr store1 > 36.646))
6 6 0 peak 4354 volume 135781904 hpm1 37.246 ppm1 0.814 ppm2 2.590
!# peak 4355-----------------------------------------------
assi (attr store1 < 2.293 and attr store1 > 2.173)
    ((attr store1 < 0.728 and attr store1 > 0.668)
     and bondedto (attr store1 < 37.832 and attr store1 > 36.632))
6 6 0 peak 4355 volume 369188000 hpm1 37.232 ppm1 0.698 ppm2 2.233
!# peak 4357-----------------------------------------------
assi (attr store1 < 2.205 and attr store1 > 2.085)
    ((attr store1 < 0.844 and attr store1 > 0.784)
     and bondedto (attr store1 < 37.846 and attr store1 > 36.646))
6 6 0 peak 4357 volume 284213984 hpm1 37.246 ppm1 0.814 ppm2 2.145
!# peak 4358-----------------------------------------------
assi (attr store1 < 2.012 and attr store1 > 1.892)
    ((attr store1 < 0.844 and attr store1 > 0.784)
     and bondedto (attr store1 < 37.847 and attr store1 > 36.647))
6 6 0 peak 4358 volume 636316992 hpm1 37.247 ppm1 0.814 ppm2 1.952
!# peak 4359-----------------------------------------------
assi (attr store1 < 1.960 and attr store1 > 1.840)
    ((attr store1 < 4.028 and attr store1 > 3.968)
     and bondedto (attr store1 < 37.822 and attr store1 > 36.622))
6 6 0 peak 4359 volume 1061766016 hpm1 37.222 ppm1 3.998 ppm2 1.900
!# peak 4360-----------------------------------------------
assi (attr store1 < 1.706 and attr store1 > 1.586)
    ((attr store1 < 0.844 and attr store1 > 0.784)
     and bondedto (attr store1 < 37.848 and attr store1 > 36.648))
6 6 0 peak 4360 volume 489628416 hpm1 37.248 ppm1 0.814 ppm2 1.646
!# peak 4362-----------------------------------------------
assi (attr store1 < 1.568 and attr store1 > 1.448)
    ((attr store1 < 0.728 and attr store1 > 0.668)
     and bondedto (attr store1 < 37.834 and attr store1 > 36.634))
6 6 0 peak 4362 volume 497329600 hpm1 37.234 ppm1 0.698 ppm2 1.508
!# peak 4363-----------------------------------------------
assi (attr store1 < 1.420 and attr store1 > 1.300)
    ((attr store1 < 0.727 and attr store1 > 0.667)
     and bondedto (attr store1 < 37.835 and attr store1 > 36.635))
6 6 0 peak 4363 volume 546146304 hpm1 37.235 ppm1 0.697 ppm2 1.360
!# peak 4364-----------------------------------------------
assi (attr store1 < 1.202 and attr store1 > 1.082)
    ((attr store1 < 0.844 and attr store1 > 0.784)
     and bondedto (attr store1 < 37.847 and attr store1 > 36.647))
6 6 0 peak 4364 volume 500475872 hpm1 37.247 ppm1 0.814 ppm2 1.142
!# peak 4365-----------------------------------------------
assi (attr store1 < 1.089 and attr store1 > 0.969)
    ((attr store1 < 0.724 and attr store1 > 0.664)
     and bondedto (attr store1 < 37.834 and attr store1 > 36.634))
6 6 0 peak 4365 volume 708281856 hpm1 37.234 ppm1 0.694 ppm2 1.029
!# peak 4367-----------------------------------------------
assi (attr store1 < 0.926 and attr store1 > 0.806)
    ((attr store1 < 2.850 and attr store1 > 2.790)
     and bondedto (attr store1 < 37.808 and attr store1 > 36.608))
6 6 0 peak 4367 volume 86691912 hpm1 37.208 ppm1 2.820 ppm2 0.866
!# peak 4373-----------------------------------------------
assi (attr store1 < 0.832 and attr store1 > 0.712)
    ((attr store1 < 4.031 and attr store1 > 3.971)
     and bondedto (attr store1 < 37.847 and attr store1 > 36.647))
6 6 0 peak 4373 volume 1011670016 hpm1 37.247 ppm1 4.001 ppm2 0.772
!# peak 4380-----------------------------------------------
assi (attr store1 < 0.308 and attr store1 > 0.188)
    ((attr store1 < 0.848 and attr store1 > 0.788)
     and bondedto (attr store1 < 37.847 and attr store1 > 36.647))
6 6 0 peak 4380 volume 94015448 hpm1 37.247 ppm1 0.818 ppm2 0.248
!# peak 4382-----------------------------------------------
assi (attr store1 < 0.161 and attr store1 > 0.041)
    ((attr store1 < 0.720 and attr store1 > 0.660)
     and bondedto (attr store1 < 37.832 and attr store1 > 36.632))
6 6 0 peak 4382 volume 261685008 hpm1 37.232 ppm1 0.690 ppm2 0.101
!# peak 4387-----------------------------------------------
assi (attr store1 < 9.008 and attr store1 > 8.888)
    ((attr store1 < 3.255 and attr store1 > 3.195)
     and bondedto (attr store1 < 37.665 and attr store1 > 36.465))
6 6 0 peak 4387 volume 71175448 hpm1 37.065 ppm1 3.225 ppm2 8.948
!# peak 4388-----------------------------------------------
assi (attr store1 < 8.990 and attr store1 > 8.870)
    ((attr store1 < 2.850 and attr store1 > 2.790)
     and bondedto (attr store1 < 37.671 and attr store1 > 36.471))
6 6 0 peak 4388 volume 71337168 hpm1 37.071 ppm1 2.820 ppm2 8.930
!# peak 4391-----------------------------------------------
assi (attr store1 < 7.020 and attr store1 > 6.900)
    ((attr store1 < 2.849 and attr store1 > 2.789)
     and bondedto (attr store1 < 37.667 and attr store1 > 36.467))
6 6 0 peak 4391 volume 192078096 hpm1 37.067 ppm1 2.819 ppm2 6.960
!# peak 4397-----------------------------------------------
assi (attr store1 < 4.963 and attr store1 > 4.843)
    ((attr store1 < 3.240 and attr store1 > 3.180)
     and bondedto (attr store1 < 37.662 and attr store1 > 36.462))
6 6 0 peak 4397 volume 292204192 hpm1 37.062 ppm1 3.210 ppm2 4.903
!# peak 4401-----------------------------------------------
assi (attr store1 < 3.297 and attr store1 > 3.177)
    ((attr store1 < 2.857 and attr store1 > 2.797)
     and bondedto (attr store1 < 37.668 and attr store1 > 36.468))
6 6 0 peak 4401 volume 1399191040 hpm1 37.068 ppm1 2.827 ppm2 3.237
!# peak 4404-----------------------------------------------
assi (attr store1 < 2.897 and attr store1 > 2.777)
    ((attr store1 < 3.248 and attr store1 > 3.188)
     and bondedto (attr store1 < 37.667 and attr store1 > 36.467))
6 6 0 peak 4404 volume 1627485056 hpm1 37.067 ppm1 3.218 ppm2 2.837
!# peak 4406-----------------------------------------------
assi (attr store1 < 1.758 and attr store1 > 1.638)
    ((attr store1 < 3.245 and attr store1 > 3.185)
     and bondedto (attr store1 < 37.668 and attr store1 > 36.468))
6 6 0 peak 4406 volume 400994976 hpm1 37.068 ppm1 3.215 ppm2 1.698
!# peak 4407-----------------------------------------------
assi (attr store1 < 1.745 and attr store1 > 1.625)
    ((attr store1 < 2.850 and attr store1 > 2.790)
     and bondedto (attr store1 < 37.666 and attr store1 > 36.466))
6 6 0 peak 4407 volume 209990688 hpm1 37.066 ppm1 2.820 ppm2 1.685
!# peak 4408-----------------------------------------------
assi (attr store1 < 1.239 and attr store1 > 1.119)
    ((attr store1 < 3.240 and attr store1 > 3.180)
     and bondedto (attr store1 < 37.667 and attr store1 > 36.467))
6 6 0 peak 4408 volume 265126112 hpm1 37.067 ppm1 3.210 ppm2 1.179
!# peak 4409-----------------------------------------------
assi (attr store1 < 1.240 and attr store1 > 1.120)
    ((attr store1 < 2.850 and attr store1 > 2.790)
     and bondedto (attr store1 < 37.665 and attr store1 > 36.465))
6 6 0 peak 4409 volume 186822000 hpm1 37.065 ppm1 2.820 ppm2 1.180
!# peak 4421-----------------------------------------------
assi (attr store1 < 7.662 and attr store1 > 7.542)
    ((attr store1 < 4.119 and attr store1 > 4.059)
     and bondedto (attr store1 < 37.479 and attr store1 > 36.279))
6 6 0 peak 4421 volume 547678976 hpm1 36.879 ppm1 4.089 ppm2 7.602
!# peak 4443-----------------------------------------------
assi (attr store1 < 1.873 and attr store1 > 1.753)
    ((attr store1 < 4.122 and attr store1 > 4.062)
     and bondedto (attr store1 < 37.472 and attr store1 > 36.272))
6 6 0 peak 4443 volume 249375296 hpm1 36.872 ppm1 4.092 ppm2 1.813
!# peak 4444-----------------------------------------------
assi (attr store1 < 1.430 and attr store1 > 1.310)
    ((attr store1 < 4.120 and attr store1 > 4.060)
     and bondedto (attr store1 < 37.474 and attr store1 > 36.274))
6 6 0 peak 4444 volume 84061792 hpm1 36.874 ppm1 4.090 ppm2 1.370
!# peak 4446-----------------------------------------------
assi (attr store1 < 1.114 and attr store1 > 0.994)
    ((attr store1 < 4.119 and attr store1 > 4.059)
     and bondedto (attr store1 < 37.480 and attr store1 > 36.280))
6 6 0 peak 4446 volume 93696896 hpm1 36.880 ppm1 4.089 ppm2 1.054
!# peak 4448-----------------------------------------------
assi (attr store1 < 0.828 and attr store1 > 0.708)
    ((attr store1 < 4.120 and attr store1 > 4.060)
     and bondedto (attr store1 < 37.478 and attr store1 > 36.278))
6 6 0 peak 4448 volume 716395968 hpm1 36.878 ppm1 4.090 ppm2 0.768
!# peak 4482-----------------------------------------------
assi (attr store1 < 8.702 and attr store1 > 8.582)
    ((attr store1 < 3.895 and attr store1 > 3.835)
     and bondedto (attr store1 < 37.087 and attr store1 > 35.887))
6 6 0 peak 4482 volume 264589600 hpm1 36.487 ppm1 3.865 ppm2 8.642
!# peak 4486-----------------------------------------------
assi (attr store1 < 8.162 and attr store1 > 8.042)
    ((attr store1 < 3.894 and attr store1 > 3.834)
     and bondedto (attr store1 < 37.08 and attr store1 > 35.88))
6 6 0 peak 4486 volume 98477328 hpm1 36.48 ppm1 3.864 ppm2 8.102
!# peak 4487-----------------------------------------------
assi (attr store1 < 7.651 and attr store1 > 7.531)
    ((attr store1 < 3.896 and attr store1 > 3.836)
     and bondedto (attr store1 < 37.089 and attr store1 > 35.889))
6 6 0 peak 4487 volume 145927504 hpm1 36.489 ppm1 3.866 ppm2 7.591
!# peak 4503-----------------------------------------------
assi (attr store1 < 3.295 and attr store1 > 3.175)
    ((attr store1 < 3.896 and attr store1 > 3.836)
     and bondedto (attr store1 < 37.085 and attr store1 > 35.885))
6 6 0 peak 4503 volume 166308512 hpm1 36.485 ppm1 3.866 ppm2 3.235
!# peak 4504-----------------------------------------------
assi (attr store1 < 2.644 and attr store1 > 2.524)
    ((attr store1 < 3.896 and attr store1 > 3.836)
     and bondedto (attr store1 < 37.081 and attr store1 > 35.881))
6 6 0 peak 4504 volume 43625580 hpm1 36.481 ppm1 3.866 ppm2 2.584
!# peak 4513-----------------------------------------------
assi (attr store1 < 1.736 and attr store1 > 1.616)
    ((attr store1 < 3.896 and attr store1 > 3.836)
     and bondedto (attr store1 < 37.087 and attr store1 > 35.887))
6 6 0 peak 4513 volume 334184704 hpm1 36.487 ppm1 3.866 ppm2 1.676
!# peak 4514-----------------------------------------------
assi (attr store1 < 1.345 and attr store1 > 1.225)
    ((attr store1 < 3.895 and attr store1 > 3.835)
     and bondedto (attr store1 < 37.082 and attr store1 > 35.882))
6 6 0 peak 4514 volume 89149008 hpm1 36.482 ppm1 3.865 ppm2 1.285
!# peak 4515-----------------------------------------------
assi (attr store1 < 1.056 and attr store1 > 0.936)
    ((attr store1 < 3.895 and attr store1 > 3.835)
     and bondedto (attr store1 < 37.088 and attr store1 > 35.888))
6 6 0 peak 4515 volume 211674400 hpm1 36.488 ppm1 3.865 ppm2 0.996
!# peak 4516-----------------------------------------------
assi (attr store1 < 0.884 and attr store1 > 0.764)
    ((attr store1 < 3.896 and attr store1 > 3.836)
     and bondedto (attr store1 < 37.089 and attr store1 > 35.889))
6 6 0 peak 4516 volume 75876656 hpm1 36.489 ppm1 3.866 ppm2 0.824
!# peak 4517-----------------------------------------------
assi (attr store1 < 0.333 and attr store1 > 0.213)
    ((attr store1 < 3.896 and attr store1 > 3.836)
     and bondedto (attr store1 < 37.088 and attr store1 > 35.888))
6 6 0 peak 4517 volume 226205792 hpm1 36.488 ppm1 3.866 ppm2 0.273
!# peak 4522-----------------------------------------------
assi (attr store1 < 7.748 and attr store1 > 7.628)
    ((attr store1 < 2.168 and attr store1 > 2.108)
     and bondedto (attr store1 < 36.914 and attr store1 > 35.714))
6 6 0 peak 4522 volume 126454400 hpm1 36.314 ppm1 2.138 ppm2 7.688
!# peak 4530-----------------------------------------------
assi (attr store1 < 4.282 and attr store1 > 4.162)
    ((attr store1 < 2.191 and attr store1 > 2.131)
     and bondedto (attr store1 < 36.911 and attr store1 > 35.711))
6 6 0 peak 4530 volume 221103600 hpm1 36.311 ppm1 2.161 ppm2 4.222
!# peak 4531-----------------------------------------------
assi (attr store1 < 4.160 and attr store1 > 4.040)
    ((attr store1 < 0.758 and attr store1 > 0.698)
     and bondedto (attr store1 < 36.901 and attr store1 > 35.701))
6 6 0 peak 4531 volume 110538696 hpm1 36.301 ppm1 0.728 ppm2 4.100
!# peak 4538-----------------------------------------------
assi (attr store1 < 3.238 and attr store1 > 3.118)
    ((attr store1 < 0.759 and attr store1 > 0.699)
     and bondedto (attr store1 < 36.920 and attr store1 > 35.720))
6 6 0 peak 4538 volume 22041630 hpm1 36.320 ppm1 0.729 ppm2 3.178
!# peak 4549-----------------------------------------------
assi (attr store1 < 1.869 and attr store1 > 1.749)
    ((attr store1 < 0.759 and attr store1 > 0.699)
     and bondedto (attr store1 < 36.906 and attr store1 > 35.706))
6 6 0 peak 4549 volume 191600096 hpm1 36.306 ppm1 0.729 ppm2 1.809
!# peak 4551-----------------------------------------------
assi (attr store1 < 1.425 and attr store1 > 1.305)
    ((attr store1 < 0.759 and attr store1 > 0.699)
     and bondedto (attr store1 < 36.903 and attr store1 > 35.703))
6 6 0 peak 4551 volume 365354592 hpm1 36.303 ppm1 0.729 ppm2 1.365
!# peak 4554-----------------------------------------------
assi (attr store1 < 1.112 and attr store1 > 0.992)
    ((attr store1 < 0.759 and attr store1 > 0.699)
     and bondedto (attr store1 < 36.901 and attr store1 > 35.701))
6 6 0 peak 4554 volume 290304896 hpm1 36.301 ppm1 0.729 ppm2 1.052
!# peak 4569-----------------------------------------------
assi (attr store1 < 8.654 and attr store1 > 8.534)
    ((attr store1 < 3.732 and attr store1 > 3.672)
     and bondedto (attr store1 < 36.715 and attr store1 > 35.515))
6 6 0 peak 4569 volume 259947984 hpm1 36.115 ppm1 3.702 ppm2 8.594
!# peak 4570-----------------------------------------------
assi (attr store1 < 7.940 and attr store1 > 7.820)
    ((attr store1 < 3.729 and attr store1 > 3.669)
     and bondedto (attr store1 < 36.706 and attr store1 > 35.506))
6 6 0 peak 4570 volume 52138256 hpm1 36.106 ppm1 3.699 ppm2 7.880
!# peak 4571-----------------------------------------------
assi (attr store1 < 7.189 and attr store1 > 7.069)
    ((attr store1 < 0.640 and attr store1 > 0.580)
     and bondedto (attr store1 < 36.727 and attr store1 > 35.527))
6 6 0 peak 4571 volume 84942400 hpm1 36.127 ppm1 0.610 ppm2 7.129
!# peak 4572-----------------------------------------------
assi (attr store1 < 6.916 and attr store1 > 6.796)
    ((attr store1 < 0.640 and attr store1 > 0.580)
     and bondedto (attr store1 < 36.735 and attr store1 > 35.535))
6 6 0 peak 4572 volume 53399940 hpm1 36.135 ppm1 0.610 ppm2 6.856
!# peak 4588-----------------------------------------------
assi (attr store1 < 3.655 and attr store1 > 3.535)
    ((attr store1 < 0.640 and attr store1 > 0.580)
     and bondedto (attr store1 < 36.737 and attr store1 > 35.537))
6 6 0 peak 4588 volume 120875904 hpm1 36.137 ppm1 0.610 ppm2 3.595
!# peak 4589-----------------------------------------------
assi (attr store1 < 3.338 and attr store1 > 3.218)
    ((attr store1 < 3.732 and attr store1 > 3.672)
     and bondedto (attr store1 < 36.702 and attr store1 > 35.502))
6 6 0 peak 4589 volume 107023096 hpm1 36.102 ppm1 3.702 ppm2 3.278
!# peak 4590-----------------------------------------------
assi (attr store1 < 3.284 and attr store1 > 3.164)
    ((attr store1 < 0.641 and attr store1 > 0.581)
     and bondedto (attr store1 < 36.729 and attr store1 > 35.529))
6 6 0 peak 4590 volume 52405296 hpm1 36.129 ppm1 0.611 ppm2 3.224
!# peak 4591-----------------------------------------------
assi (attr store1 < 2.650 and attr store1 > 2.530)
    ((attr store1 < 3.732 and attr store1 > 3.672)
     and bondedto (attr store1 < 36.710 and attr store1 > 35.510))
6 6 0 peak 4591 volume 138252000 hpm1 36.110 ppm1 3.702 ppm2 2.590
!# peak 4593-----------------------------------------------
assi (attr store1 < 2.200 and attr store1 > 2.080)
    ((attr store1 < 3.732 and attr store1 > 3.672)
     and bondedto (attr store1 < 36.710 and attr store1 > 35.510))
6 6 0 peak 4593 volume 658233856 hpm1 36.110 ppm1 3.702 ppm2 2.140
!# peak 4594-----------------------------------------------
assi (attr store1 < 2.006 and attr store1 > 1.886)
    ((attr store1 < 3.732 and attr store1 > 3.672)
     and bondedto (attr store1 < 36.710 and attr store1 > 35.510))
6 6 0 peak 4594 volume 616016320 hpm1 36.110 ppm1 3.702 ppm2 1.946
!# peak 4596-----------------------------------------------
assi (attr store1 < 1.748 and attr store1 > 1.628)
    ((attr store1 < 0.640 and attr store1 > 0.580)
     and bondedto (attr store1 < 36.737 and attr store1 > 35.537))
6 6 0 peak 4596 volume 171185600 hpm1 36.137 ppm1 0.610 ppm2 1.688
!# peak 4599-----------------------------------------------
assi (attr store1 < 1.429 and attr store1 > 1.309)
    ((attr store1 < 0.640 and attr store1 > 0.580)
     and bondedto (attr store1 < 36.734 and attr store1 > 35.534))
6 6 0 peak 4599 volume 324091616 hpm1 36.134 ppm1 0.610 ppm2 1.369
!# peak 4602-----------------------------------------------
assi (attr store1 < 1.058 and attr store1 > 0.938)
    ((attr store1 < 3.732 and attr store1 > 3.672)
     and bondedto (attr store1 < 36.711 and attr store1 > 35.511))
6 6 0 peak 4602 volume 364690688 hpm1 36.111 ppm1 3.702 ppm2 0.998
!# peak 4603-----------------------------------------------
assi (attr store1 < 1.049 and attr store1 > 0.929)
    ((attr store1 < 0.637 and attr store1 > 0.577)
     and bondedto (attr store1 < 36.735 and attr store1 > 35.535))
6 6 0 peak 4603 volume 521054912 hpm1 36.135 ppm1 0.607 ppm2 0.989
!# peak 4604-----------------------------------------------
assi (attr store1 < 0.887 and attr store1 > 0.767)
    ((attr store1 < 3.732 and attr store1 > 3.672)
     and bondedto (attr store1 < 36.713 and attr store1 > 35.513))
6 6 0 peak 4604 volume 244909488 hpm1 36.113 ppm1 3.702 ppm2 0.827
!# peak 4608-----------------------------------------------
assi (attr store1 < 0.432 and attr store1 > 0.312)
    ((attr store1 < 0.639 and attr store1 > 0.579)
     and bondedto (attr store1 < 36.735 and attr store1 > 35.535))
6 6 0 peak 4608 volume 298406592 hpm1 36.135 ppm1 0.609 ppm2 0.372
!# peak 4610-----------------------------------------------
assi (attr store1 < 7.891 and attr store1 > 7.771)
    ((attr store1 < 3.852 and attr store1 > 3.792)
     and bondedto (attr store1 < 36.498 and attr store1 > 35.298))
6 6 0 peak 4610 volume 286924096 hpm1 35.898 ppm1 3.822 ppm2 7.831
!# peak 4621-----------------------------------------------
assi (attr store1 < 3.604 and attr store1 > 3.484)
    ((attr store1 < 3.851 and attr store1 > 3.791)
     and bondedto (attr store1 < 36.507 and attr store1 > 35.307))
6 6 0 peak 4621 volume 122418400 hpm1 35.907 ppm1 3.821 ppm2 3.544
!# peak 4622-----------------------------------------------
assi (attr store1 < 2.884 and attr store1 > 2.764)
    ((attr store1 < 3.851 and attr store1 > 3.791)
     and bondedto (attr store1 < 36.500 and attr store1 > 35.300))
6 6 0 peak 4622 volume 68884776 hpm1 35.900 ppm1 3.821 ppm2 2.824
!# peak 4624-----------------------------------------------
assi (attr store1 < 2.155 and attr store1 > 2.035)
    ((attr store1 < 2.351 and attr store1 > 2.291)
     and bondedto (attr store1 < 36.515 and attr store1 > 35.315))
6 6 0 peak 4624 volume 0.870516e+10 hpm1 35.915 ppm1 2.321 ppm2 2.095
!# peak 4625-----------------------------------------------
assi (attr store1 < 1.975 and attr store1 > 1.855)
    ((attr store1 < 3.852 and attr store1 > 3.792)
     and bondedto (attr store1 < 36.507 and attr store1 > 35.307))
6 6 0 peak 4625 volume 1243161984 hpm1 35.907 ppm1 3.822 ppm2 1.915
!# peak 4626-----------------------------------------------
assi (attr store1 < 1.605 and attr store1 > 1.485)
    ((attr store1 < 2.348 and attr store1 > 2.288)
     and bondedto (attr store1 < 36.505 and attr store1 > 35.305))
6 6 0 peak 4626 volume 167354704 hpm1 35.905 ppm1 2.318 ppm2 1.545
!# peak 4627-----------------------------------------------
assi (attr store1 < 1.427 and attr store1 > 1.307)
    ((attr store1 < 2.349 and attr store1 > 2.289)
     and bondedto (attr store1 < 36.503 and attr store1 > 35.303))
6 6 0 peak 4627 volume 77839960 hpm1 35.903 ppm1 2.319 ppm2 1.367
!# peak 4630-----------------------------------------------
assi (attr store1 < 9.078 and attr store1 > 8.958)
    ((attr store1 < 2.349 and attr store1 > 2.289)
     and bondedto (attr store1 < 36.358 and attr store1 > 35.158))
6 6 0 peak 4630 volume 13363540 hpm1 35.758 ppm1 2.319 ppm2 9.018
!# peak 4636-----------------------------------------------
assi (attr store1 < 7.922 and attr store1 > 7.802)
    ((attr store1 < 2.351 and attr store1 > 2.291)
     and bondedto (attr store1 < 36.361 and attr store1 > 35.161))
6 6 0 peak 4636 volume 129571704 hpm1 35.761 ppm1 2.321 ppm2 7.862
!# peak 4637-----------------------------------------------
assi (attr store1 < 7.691 and attr store1 > 7.571)
    ((attr store1 < 2.349 and attr store1 > 2.289)
     and bondedto (attr store1 < 36.353 and attr store1 > 35.153))
6 6 0 peak 4637 volume 71603920 hpm1 35.753 ppm1 2.319 ppm2 7.631
!# peak 4664-----------------------------------------------
assi (attr store1 < 3.098 and attr store1 > 2.978)
    ((attr store1 < 2.349 and attr store1 > 2.289)
     and bondedto (attr store1 < 36.340 and attr store1 > 35.140))
6 6 0 peak 4664 volume 81475360 hpm1 35.740 ppm1 2.319 ppm2 3.038
!# peak 4670-----------------------------------------------
assi (attr store1 < 1.526 and attr store1 > 1.406)
    ((attr store1 < 3.851 and attr store1 > 3.791)
     and bondedto (attr store1 < 36.362 and attr store1 > 35.162))
6 6 0 peak 4670 volume 165783104 hpm1 35.762 ppm1 3.821 ppm2 1.466
!# peak 4671-----------------------------------------------
assi (attr store1 < 1.230 and attr store1 > 1.110)
    ((attr store1 < 3.850 and attr store1 > 3.790)
     and bondedto (attr store1 < 36.368 and attr store1 > 35.168))
6 6 0 peak 4671 volume 69377616 hpm1 35.768 ppm1 3.820 ppm2 1.170
!# peak 4672-----------------------------------------------
assi (attr store1 < 1.188 and attr store1 > 1.068)
    ((attr store1 < 2.349 and attr store1 > 2.289)
     and bondedto (attr store1 < 36.363 and attr store1 > 35.163))
6 6 0 peak 4672 volume 277500608 hpm1 35.763 ppm1 2.319 ppm2 1.128
!# peak 4673-----------------------------------------------
assi (attr store1 < 0.780 and attr store1 > 0.660)
    ((attr store1 < 2.349 and attr store1 > 2.289)
     and bondedto (attr store1 < 36.365 and attr store1 > 35.165))
6 6 0 peak 4673 volume 101140496 hpm1 35.765 ppm1 2.319 ppm2 0.720
!# peak 4682-----------------------------------------------
assi (attr store1 < 8.665 and attr store1 > 8.545)
    ((attr store1 < 3.961 and attr store1 > 3.901)
     and bondedto (attr store1 < 36.156 and attr store1 > 34.956))
6 6 0 peak 4682 volume 150671088 hpm1 35.556 ppm1 3.931 ppm2 8.605
!# peak 4684-----------------------------------------------
assi (attr store1 < 8.335 and attr store1 > 8.215)
    ((attr store1 < 4.176 and attr store1 > 4.116)
     and bondedto (attr store1 < 36.165 and attr store1 > 34.965))
6 6 0 peak 4684 volume 210823600 hpm1 35.565 ppm1 4.146 ppm2 8.275
!# peak 4685-----------------------------------------------
assi (attr store1 < 8.165 and attr store1 > 8.045)
    ((attr store1 < 3.962 and attr store1 > 3.902)
     and bondedto (attr store1 < 36.158 and attr store1 > 34.958))
6 6 0 peak 4685 volume 298404512 hpm1 35.558 ppm1 3.932 ppm2 8.105
!# peak 4686-----------------------------------------------
assi (attr store1 < 7.935 and attr store1 > 7.815)
    ((attr store1 < 3.961 and attr store1 > 3.901)
     and bondedto (attr store1 < 36.154 and attr store1 > 34.954))
6 6 0 peak 4686 volume 46693560 hpm1 35.554 ppm1 3.931 ppm2 7.875
!# peak 4687-----------------------------------------------
assi (attr store1 < 7.836 and attr store1 > 7.716)
    ((attr store1 < 4.173 and attr store1 > 4.113)
     and bondedto (attr store1 < 36.159 and attr store1 > 34.959))
6 6 0 peak 4687 volume 140856288 hpm1 35.559 ppm1 4.143 ppm2 7.776
!# peak 4703-----------------------------------------------
assi (attr store1 < 3.337 and attr store1 > 3.217)
    ((attr store1 < 3.964 and attr store1 > 3.904)
     and bondedto (attr store1 < 36.162 and attr store1 > 34.962))
6 6 0 peak 4703 volume 213555504 hpm1 35.562 ppm1 3.934 ppm2 3.277
!# peak 4704-----------------------------------------------
assi (attr store1 < 3.286 and attr store1 > 3.166)
    ((attr store1 < 4.174 and attr store1 > 4.114)
     and bondedto (attr store1 < 36.161 and attr store1 > 34.961))
6 6 0 peak 4704 volume 755343680 hpm1 35.561 ppm1 4.144 ppm2 3.226
!# peak 4706-----------------------------------------------
assi (attr store1 < 3.058 and attr store1 > 2.938)
    ((attr store1 < 4.174 and attr store1 > 4.114)
     and bondedto (attr store1 < 36.160 and attr store1 > 34.960))
6 6 0 peak 4706 volume 62336616 hpm1 35.560 ppm1 4.144 ppm2 2.998
!# peak 4708-----------------------------------------------
assi (attr store1 < 2.611 and attr store1 > 2.491)
    ((attr store1 < 3.961 and attr store1 > 3.901)
     and bondedto (attr store1 < 36.157 and attr store1 > 34.957))
6 6 0 peak 4708 volume 210564704 hpm1 35.557 ppm1 3.931 ppm2 2.551
!# peak 4711-----------------------------------------------
assi (attr store1 < 2.336 and attr store1 > 2.216)
    ((attr store1 < 3.961 and attr store1 > 3.901)
     and bondedto (attr store1 < 36.155 and attr store1 > 34.955))
6 6 0 peak 4711 volume 368061088 hpm1 35.555 ppm1 3.931 ppm2 2.276
!# peak 4712-----------------------------------------------
assi (attr store1 < 2.059 and attr store1 > 1.939)
    ((attr store1 < 3.961 and attr store1 > 3.901)
     and bondedto (attr store1 < 36.156 and attr store1 > 34.956))
6 6 0 peak 4712 volume 1918359936 hpm1 35.556 ppm1 3.931 ppm2 1.999
!# peak 4715-----------------------------------------------
assi (attr store1 < 1.789 and attr store1 > 1.669)
    ((attr store1 < 4.173 and attr store1 > 4.113)
     and bondedto (attr store1 < 36.160 and attr store1 > 34.960))
6 6 0 peak 4715 volume 299511904 hpm1 35.560 ppm1 4.143 ppm2 1.729
!# peak 4719-----------------------------------------------
assi (attr store1 < 1.602 and attr store1 > 1.482)
    ((attr store1 < 3.961 and attr store1 > 3.901)
     and bondedto (attr store1 < 36.156 and attr store1 > 34.956))
6 6 0 peak 4719 volume 72888008 hpm1 35.556 ppm1 3.931 ppm2 1.542
!# peak 4720-----------------------------------------------
assi (attr store1 < 1.426 and attr store1 > 1.306)
    ((attr store1 < 4.170 and attr store1 > 4.110)
     and bondedto (attr store1 < 36.143 and attr store1 > 34.943))
6 6 0 peak 4720 volume 139650704 hpm1 35.543 ppm1 4.140 ppm2 1.366
!# peak 4722-----------------------------------------------
assi (attr store1 < 0.840 and attr store1 > 0.720)
    ((attr store1 < 3.964 and attr store1 > 3.904)
     and bondedto (attr store1 < 36.153 and attr store1 > 34.953))
6 6 0 peak 4722 volume 43152520 hpm1 35.553 ppm1 3.934 ppm2 0.780
!# peak 4733-----------------------------------------------
assi (attr store1 < 8.704 and attr store1 > 8.584)
    ((attr store1 < 4.122 and attr store1 > 4.062)
     and bondedto (attr store1 < 35.986 and attr store1 > 34.786))
6 6 0 peak 4733 volume 124467200 hpm1 35.386 ppm1 4.092 ppm2 8.644
!# peak 4734-----------------------------------------------
assi (attr store1 < 8.516 and attr store1 > 8.396)
    ((attr store1 < 2.595 and attr store1 > 2.535)
     and bondedto (attr store1 < 35.991 and attr store1 > 34.791))
6 6 0 peak 4734 volume 145442000 hpm1 35.391 ppm1 2.565 ppm2 8.456
!# peak 4735-----------------------------------------------
assi (attr store1 < 8.515 and attr store1 > 8.395)
    ((attr store1 < 2.422 and attr store1 > 2.362)
     and bondedto (attr store1 < 35.981 and attr store1 > 34.781))
6 6 0 peak 4735 volume 80054816 hpm1 35.381 ppm1 2.392 ppm2 8.455
!# peak 4739-----------------------------------------------
assi (attr store1 < 8.167 and attr store1 > 8.047)
    ((attr store1 < 4.125 and attr store1 > 4.065)
     and bondedto (attr store1 < 35.967 and attr store1 > 34.767))
6 6 0 peak 4739 volume 334748384 hpm1 35.367 ppm1 4.095 ppm2 8.107
!# peak 4742-----------------------------------------------
assi (attr store1 < 7.572 and attr store1 > 7.452)
    ((attr store1 < 4.121 and attr store1 > 4.061)
     and bondedto (attr store1 < 35.969 and attr store1 > 34.769))
6 6 0 peak 4742 volume 117429896 hpm1 35.369 ppm1 4.091 ppm2 7.512
!# peak 4743-----------------------------------------------
assi (attr store1 < 7.480 and attr store1 > 7.360)
    ((attr store1 < 2.579 and attr store1 > 2.519)
     and bondedto (attr store1 < 35.981 and attr store1 > 34.781))
6 6 0 peak 4743 volume 39199980 hpm1 35.381 ppm1 2.549 ppm2 7.420
!# peak 4746-----------------------------------------------
assi (attr store1 < 6.984 and attr store1 > 6.864)
    ((attr store1 < 4.122 and attr store1 > 4.062)
     and bondedto (attr store1 < 35.973 and attr store1 > 34.773))
6 6 0 peak 4746 volume 270594688 hpm1 35.373 ppm1 4.092 ppm2 6.924
!# peak 4754-----------------------------------------------
assi (attr store1 < 5.055 and attr store1 > 4.935)
    ((attr store1 < 2.595 and attr store1 > 2.535)
     and bondedto (attr store1 < 35.986 and attr store1 > 34.786))
6 6 0 peak 4754 volume 171809696 hpm1 35.386 ppm1 2.565 ppm2 4.995
!# peak 4755-----------------------------------------------
assi (attr store1 < 5.056 and attr store1 > 4.936)
    ((attr store1 < 2.436 and attr store1 > 2.376)
     and bondedto (attr store1 < 35.985 and attr store1 > 34.785))
6 6 0 peak 4755 volume 188309888 hpm1 35.385 ppm1 2.406 ppm2 4.996
!# peak 4765-----------------------------------------------
assi (attr store1 < 3.466 and attr store1 > 3.346)
    ((attr store1 < 4.123 and attr store1 > 4.063)
     and bondedto (attr store1 < 35.968 and attr store1 > 34.768))
6 6 0 peak 4765 volume 241530304 hpm1 35.368 ppm1 4.093 ppm2 3.406
!# peak 4769-----------------------------------------------
assi (attr store1 < 2.645 and attr store1 > 2.525)
    ((attr store1 < 2.423 and attr store1 > 2.363)
     and bondedto (attr store1 < 35.981 and attr store1 > 34.781))
6 6 0 peak 4769 volume 0.266705e+10 hpm1 35.381 ppm1 2.393 ppm2 2.585
!# peak 4771-----------------------------------------------
assi (attr store1 < 2.611 and attr store1 > 2.491)
    ((attr store1 < 4.123 and attr store1 > 4.063)
     and bondedto (attr store1 < 35.971 and attr store1 > 34.771))
6 6 0 peak 4771 volume 73967360 hpm1 35.371 ppm1 4.093 ppm2 2.551
!# peak 4774-----------------------------------------------
assi (attr store1 < 2.476 and attr store1 > 2.356)
    ((attr store1 < 2.593 and attr store1 > 2.533)
     and bondedto (attr store1 < 35.983 and attr store1 > 34.783))
6 6 0 peak 4774 volume 0.3278823e+10 hpm1 35.383 ppm1 2.563 ppm2 2.416
!# peak 4778-----------------------------------------------
assi (attr store1 < 1.509 and attr store1 > 1.389)
    ((attr store1 < 2.595 and attr store1 > 2.535)
     and bondedto (attr store1 < 35.985 and attr store1 > 34.785))
6 6 0 peak 4778 volume 184218000 hpm1 35.385 ppm1 2.565 ppm2 1.449
!# peak 4779-----------------------------------------------
assi (attr store1 < 1.509 and attr store1 > 1.389)
    ((attr store1 < 2.422 and attr store1 > 2.362)
     and bondedto (attr store1 < 35.984 and attr store1 > 34.784))
6 6 0 peak 4779 volume 291285984 hpm1 35.384 ppm1 2.392 ppm2 1.449
!# peak 4784-----------------------------------------------
assi (attr store1 < 0.566 and attr store1 > 0.446)
    ((attr store1 < 4.122 and attr store1 > 4.062)
     and bondedto (attr store1 < 35.968 and attr store1 > 34.768))
6 6 0 peak 4784 volume 239589792 hpm1 35.368 ppm1 4.092 ppm2 0.506
!# peak 4811-----------------------------------------------
assi (attr store1 < 8.165 and attr store1 > 8.045)
    ((attr store1 < 2.553 and attr store1 > 2.493)
     and bondedto (attr store1 < 35.579 and attr store1 > 34.379))
6 6 0 peak 4811 volume 90600000 hpm1 34.979 ppm1 2.523 ppm2 8.105
!# peak 4812-----------------------------------------------
assi (attr store1 < 8.163 and attr store1 > 8.043)
    ((attr store1 < 2.287 and attr store1 > 2.227)
     and bondedto (attr store1 < 35.574 and attr store1 > 34.374))
6 6 0 peak 4812 volume 10269580 hpm1 34.974 ppm1 2.257 ppm2 8.103
!# peak 4818-----------------------------------------------
assi (attr store1 < 7.072 and attr store1 > 6.952)
    ((attr store1 < 2.555 and attr store1 > 2.495)
     and bondedto (attr store1 < 35.576 and attr store1 > 34.376))
6 6 0 peak 4818 volume 116652400 hpm1 34.976 ppm1 2.525 ppm2 7.012
!# peak 4819-----------------------------------------------
assi (attr store1 < 7.069 and attr store1 > 6.949)
    ((attr store1 < 2.286 and attr store1 > 2.226)
     and bondedto (attr store1 < 35.578 and attr store1 > 34.378))
6 6 0 peak 4819 volume 16940920 hpm1 34.978 ppm1 2.256 ppm2 7.009
!# peak 4820-----------------------------------------------
assi (attr store1 < 6.786 and attr store1 > 6.666)
    ((attr store1 < 2.556 and attr store1 > 2.496)
     and bondedto (attr store1 < 35.578 and attr store1 > 34.378))
6 6 0 peak 4820 volume 126696304 hpm1 34.978 ppm1 2.526 ppm2 6.726
!# peak 4831-----------------------------------------------
assi (attr store1 < 2.606 and attr store1 > 2.486)
    ((attr store1 < 2.299 and attr store1 > 2.239)
     and bondedto (attr store1 < 35.570 and attr store1 > 34.370))
6 6 0 peak 4831 volume 1791001984 hpm1 34.970 ppm1 2.269 ppm2 2.546
!# peak 4833-----------------------------------------------
assi (attr store1 < 2.338 and attr store1 > 2.218)
    ((attr store1 < 2.554 and attr store1 > 2.494)
     and bondedto (attr store1 < 35.582 and attr store1 > 34.382))
6 6 0 peak 4833 volume 0.4554933e+10 hpm1 34.982 ppm1 2.524 ppm2 2.278
!# peak 4836-----------------------------------------------
assi (attr store1 < 2.105 and attr store1 > 1.985)
    ((attr store1 < 2.553 and attr store1 > 2.493)
     and bondedto (attr store1 < 35.575 and attr store1 > 34.375))
6 6 0 peak 4836 volume 1089054976 hpm1 34.975 ppm1 2.523 ppm2 2.045
!# peak 4843-----------------------------------------------
assi (attr store1 < 0.929 and attr store1 > 0.809)
    ((attr store1 < 4.169 and attr store1 > 4.109)
     and bondedto (attr store1 < 35.573 and attr store1 > 34.373))
6 6 0 peak 4843 volume 49119852 hpm1 34.973 ppm1 4.139 ppm2 0.869
!# peak 4846-----------------------------------------------
assi (attr store1 < 0.571 and attr store1 > 0.451)
    ((attr store1 < 2.553 and attr store1 > 2.493)
     and bondedto (attr store1 < 35.573 and attr store1 > 34.373))
6 6 0 peak 4846 volume 61464900 hpm1 34.973 ppm1 2.523 ppm2 0.511
!# peak 4849-----------------------------------------------
assi (attr store1 < 9.465 and attr store1 > 9.345)
    ((attr store1 < 2.327 and attr store1 > 2.267)
     and bondedto (attr store1 < 35.425 and attr store1 > 34.225))
6 6 0 peak 4849 volume 32804268 hpm1 34.825 ppm1 2.297 ppm2 9.405
!# peak 4850-----------------------------------------------
assi (attr store1 < 9.462 and attr store1 > 9.342)
    ((attr store1 < 2.057 and attr store1 > 1.997)
     and bondedto (attr store1 < 35.412 and attr store1 > 34.212))
6 6 0 peak 4850 volume 30575800 hpm1 34.812 ppm1 2.027 ppm2 9.402
!# peak 4852-----------------------------------------------
assi (attr store1 < 7.917 and attr store1 > 7.797)
    ((attr store1 < 4.077 and attr store1 > 4.017)
     and bondedto (attr store1 < 35.378 and attr store1 > 34.178))
6 6 0 peak 4852 volume 491242592 hpm1 34.778 ppm1 4.047 ppm2 7.857
!# peak 4854-----------------------------------------------
assi (attr store1 < 7.432 and attr store1 > 7.312)
    ((attr store1 < 4.077 and attr store1 > 4.017)
     and bondedto (attr store1 < 35.386 and attr store1 > 34.186))
6 6 0 peak 4854 volume 81847632 hpm1 34.786 ppm1 4.047 ppm2 7.372
!# peak 4855-----------------------------------------------
assi (attr store1 < 7.429 and attr store1 > 7.309)
    ((attr store1 < 2.327 and attr store1 > 2.267)
     and bondedto (attr store1 < 35.408 and attr store1 > 34.208))
6 6 0 peak 4855 volume 403770080 hpm1 34.808 ppm1 2.297 ppm2 7.369
!# peak 4856-----------------------------------------------
assi (attr store1 < 7.429 and attr store1 > 7.309)
    ((attr store1 < 2.075 and attr store1 > 2.015)
     and bondedto (attr store1 < 35.408 and attr store1 > 34.208))
6 6 0 peak 4856 volume 159038400 hpm1 34.808 ppm1 2.045 ppm2 7.369
!# peak 4867-----------------------------------------------
assi (attr store1 < 3.097 and attr store1 > 2.977)
    ((attr store1 < 2.325 and attr store1 > 2.265)
     and bondedto (attr store1 < 35.410 and attr store1 > 34.210))
6 6 0 peak 4867 volume 317681920 hpm1 34.810 ppm1 2.295 ppm2 3.037
!# peak 4868-----------------------------------------------
assi (attr store1 < 3.071 and attr store1 > 2.951)
    ((attr store1 < 2.074 and attr store1 > 2.014)
     and bondedto (attr store1 < 35.411 and attr store1 > 34.211))
6 6 0 peak 4868 volume 327109184 hpm1 34.811 ppm1 2.044 ppm2 3.011
!# peak 4870-----------------------------------------------
assi (attr store1 < 2.752 and attr store1 > 2.632)
    ((attr store1 < 2.060 and attr store1 > 2.000)
     and bondedto (attr store1 < 35.408 and attr store1 > 34.208))
6 6 0 peak 4870 volume 33096548 hpm1 34.808 ppm1 2.030 ppm2 2.692
!# peak 4871-----------------------------------------------
assi (attr store1 < 2.389 and attr store1 > 2.269)
    ((attr store1 < 4.077 and attr store1 > 4.017)
     and bondedto (attr store1 < 35.383 and attr store1 > 34.183))
6 6 0 peak 4871 volume 393949984 hpm1 34.783 ppm1 4.047 ppm2 2.329
!# peak 4872-----------------------------------------------
assi (attr store1 < 2.379 and attr store1 > 2.259)
    ((attr store1 < 2.076 and attr store1 > 2.016)
     and bondedto (attr store1 < 35.400 and attr store1 > 34.200))
6 6 0 peak 4872 volume 1198347008 hpm1 34.800 ppm1 2.046 ppm2 2.319
!# peak 4874-----------------------------------------------
assi (attr store1 < 2.200 and attr store1 > 2.080)
    ((attr store1 < 4.079 and attr store1 > 4.019)
     and bondedto (attr store1 < 35.390 and attr store1 > 34.190))
6 6 0 peak 4874 volume 1187927040 hpm1 34.790 ppm1 4.049 ppm2 2.140
!# peak 4875-----------------------------------------------
assi (attr store1 < 2.110 and attr store1 > 1.990)
    ((attr store1 < 2.304 and attr store1 > 2.244)
     and bondedto (attr store1 < 35.413 and attr store1 > 34.213))
6 6 0 peak 4875 volume 2128652928 hpm1 34.813 ppm1 2.274 ppm2 2.050
!# peak 4878-----------------------------------------------
assi (attr store1 < 1.966 and attr store1 > 1.846)
    ((attr store1 < 4.078 and attr store1 > 4.018)
     and bondedto (attr store1 < 35.390 and attr store1 > 34.190))
6 6 0 peak 4878 volume 742614336 hpm1 34.790 ppm1 4.048 ppm2 1.906
!# peak 4880-----------------------------------------------
assi (attr store1 < 1.429 and attr store1 > 1.309)
    ((attr store1 < 2.327 and attr store1 > 2.267)
     and bondedto (attr store1 < 35.406 and attr store1 > 34.206))
6 6 0 peak 4880 volume 165438704 hpm1 34.806 ppm1 2.297 ppm2 1.369
!# peak 4881-----------------------------------------------
assi (attr store1 < 1.429 and attr store1 > 1.309)
    ((attr store1 < 2.060 and attr store1 > 2.000)
     and bondedto (attr store1 < 35.410 and attr store1 > 34.210))
6 6 0 peak 4881 volume 121974296 hpm1 34.810 ppm1 2.030 ppm2 1.369
!# peak 4885-----------------------------------------------
assi (attr store1 < 0.832 and attr store1 > 0.712)
    ((attr store1 < 2.304 and attr store1 > 2.244)
     and bondedto (attr store1 < 35.413 and attr store1 > 34.213))
6 6 0 peak 4885 volume 145657200 hpm1 34.813 ppm1 2.274 ppm2 0.772
!# peak 4890-----------------------------------------------
assi (attr store1 < 9.099 and attr store1 > 8.979)
    ((attr store1 < 4.078 and attr store1 > 4.018)
     and bondedto (attr store1 < 35.248 and attr store1 > 34.048))
6 6 0 peak 4890 volume 82402344 hpm1 34.648 ppm1 4.048 ppm2 9.039
!# peak 4896-----------------------------------------------
assi (attr store1 < 6.608 and attr store1 > 6.488)
    ((attr store1 < 4.122 and attr store1 > 4.062)
     and bondedto (attr store1 < 35.223 and attr store1 > 34.023))
6 6 0 peak 4896 volume 118727000 hpm1 34.623 ppm1 4.092 ppm2 6.548
!# peak 4903-----------------------------------------------
assi (attr store1 < 3.016 and attr store1 > 2.896)
    ((attr store1 < 4.077 and attr store1 > 4.017)
     and bondedto (attr store1 < 35.248 and attr store1 > 34.048))
6 6 0 peak 4903 volume 46528892 hpm1 34.648 ppm1 4.047 ppm2 2.956
!# peak 4906-----------------------------------------------
assi (attr store1 < 1.191 and attr store1 > 1.071)
    ((attr store1 < 4.078 and attr store1 > 4.018)
     and bondedto (attr store1 < 35.240 and attr store1 > 34.040))
6 6 0 peak 4906 volume 39934580 hpm1 34.640 ppm1 4.048 ppm2 1.131
!# peak 4912-----------------------------------------------
assi (attr store1 < 8.506 and attr store1 > 8.386)
    ((attr store1 < 4.187 and attr store1 > 4.127)
     and bondedto (attr store1 < 35.051 and attr store1 > 33.851))
6 6 0 peak 4912 volume 25315600 hpm1 34.451 ppm1 4.157 ppm2 8.446
!# peak 4913-----------------------------------------------
assi (attr store1 < 8.373 and attr store1 > 8.253)
    ((attr store1 < 3.504 and attr store1 > 3.444)
     and bondedto (attr store1 < 35.045 and attr store1 > 33.845))
6 6 0 peak 4913 volume 177193808 hpm1 34.445 ppm1 3.474 ppm2 8.313
!# peak 4914-----------------------------------------------
assi (attr store1 < 8.282 and attr store1 > 8.162)
    ((attr store1 < 4.054 and attr store1 > 3.994)
     and bondedto (attr store1 < 35.032 and attr store1 > 33.832))
6 6 0 peak 4914 volume 127198400 hpm1 34.432 ppm1 4.024 ppm2 8.222
!# peak 4915-----------------------------------------------
assi (attr store1 < 8.109 and attr store1 > 7.989)
    ((attr store1 < 4.056 and attr store1 > 3.996)
     and bondedto (attr store1 < 35.035 and attr store1 > 33.835))
6 6 0 peak 4915 volume 424416992 hpm1 34.435 ppm1 4.026 ppm2 8.049
!# peak 4917-----------------------------------------------
assi (attr store1 < 7.890 and attr store1 > 7.770)
    ((attr store1 < 3.505 and attr store1 > 3.445)
     and bondedto (attr store1 < 35.045 and attr store1 > 33.845))
6 6 0 peak 4917 volume 63454800 hpm1 34.445 ppm1 3.475 ppm2 7.830
!# peak 4918-----------------------------------------------
assi (attr store1 < 7.659 and attr store1 > 7.539)
    ((attr store1 < 4.210 and attr store1 > 4.150)
     and bondedto (attr store1 < 35.023 and attr store1 > 33.823))
6 6 0 peak 4918 volume 150908000 hpm1 34.423 ppm1 4.180 ppm2 7.599
!# peak 4919-----------------------------------------------
assi (attr store1 < 7.346 and attr store1 > 7.226)
    ((attr store1 < 4.191 and attr store1 > 4.131)
     and bondedto (attr store1 < 35.013 and attr store1 > 33.813))
6 6 0 peak 4919 volume 410219008 hpm1 34.413 ppm1 4.161 ppm2 7.286
!# peak 4920-----------------------------------------------
assi (attr store1 < 7.290 and attr store1 > 7.170)
    ((attr store1 < 3.491 and attr store1 > 3.431)
     and bondedto (attr store1 < 35.038 and attr store1 > 33.838))
6 6 0 peak 4920 volume 37276628 hpm1 34.438 ppm1 3.461 ppm2 7.230
!# peak 4921-----------------------------------------------
assi (attr store1 < 7.198 and attr store1 > 7.078)
    ((attr store1 < 4.054 and attr store1 > 3.994)
     and bondedto (attr store1 < 35.028 and attr store1 > 33.828))
6 6 0 peak 4921 volume 147902096 hpm1 34.428 ppm1 4.024 ppm2 7.138
!# peak 4924-----------------------------------------------
assi (attr store1 < 6.841 and attr store1 > 6.721)
    ((attr store1 < 4.010 and attr store1 > 3.950)
     and bondedto (attr store1 < 35.012 and attr store1 > 33.812))
6 6 0 peak 4924 volume 169273904 hpm1 34.412 ppm1 3.980 ppm2 6.781
!# peak 4928-----------------------------------------------
assi (attr store1 < 6.609 and attr store1 > 6.489)
    ((attr store1 < 4.191 and attr store1 > 4.131)
     and bondedto (attr store1 < 35.036 and attr store1 > 33.836))
6 6 0 peak 4928 volume 227957696 hpm1 34.436 ppm1 4.161 ppm2 6.549
!# peak 4986-----------------------------------------------
assi (attr store1 < 3.707 and attr store1 > 3.587)
    ((attr store1 < 4.055 and attr store1 > 3.995)
     and bondedto (attr store1 < 35.034 and attr store1 > 33.834))
6 6 0 peak 4986 volume 88622120 hpm1 34.434 ppm1 4.025 ppm2 3.647
!# peak 4989-----------------------------------------------
assi (attr store1 < 3.470 and attr store1 > 3.350)
    ((attr store1 < 4.054 and attr store1 > 3.994)
     and bondedto (attr store1 < 35.029 and attr store1 > 33.829))
6 6 0 peak 4989 volume 130169008 hpm1 34.429 ppm1 4.024 ppm2 3.410
!# peak 4990-----------------------------------------------
assi (attr store1 < 3.335 and attr store1 > 3.215)
    ((attr store1 < 4.191 and attr store1 > 4.131)
     and bondedto (attr store1 < 35.021 and attr store1 > 33.821))
6 6 0 peak 4990 volume 408744992 hpm1 34.421 ppm1 4.161 ppm2 3.275
!# peak 4996-----------------------------------------------
assi (attr store1 < 1.928 and attr store1 > 1.808)
    ((attr store1 < 2.101 and attr store1 > 2.041)
     and bondedto (attr store1 < 35.015 and attr store1 > 33.815))
6 6 0 peak 4996 volume 529350688 hpm1 34.415 ppm1 2.071 ppm2 1.868
!# peak 4998-----------------------------------------------
assi (attr store1 < 1.725 and attr store1 > 1.605)
    ((attr store1 < 4.061 and attr store1 > 4.001)
     and bondedto (attr store1 < 35.010 and attr store1 > 33.810))
6 6 0 peak 4998 volume 1616684928 hpm1 34.410 ppm1 4.031 ppm2 1.665
!# peak 4999-----------------------------------------------
assi (attr store1 < 1.795 and attr store1 > 1.675)
    ((attr store1 < 3.506 and attr store1 > 3.446)
     and bondedto (attr store1 < 35.047 and attr store1 > 33.847))
6 6 0 peak 4999 volume 58990000 hpm1 34.447 ppm1 3.476 ppm2 1.735
!# peak 5000-----------------------------------------------
assi (attr store1 < 1.523 and attr store1 > 1.403)
    ((attr store1 < 4.055 and attr store1 > 3.995)
     and bondedto (attr store1 < 35.040 and attr store1 > 33.840))
6 6 0 peak 5000 volume 767279232 hpm1 34.440 ppm1 4.025 ppm2 1.463
!# peak 5001-----------------------------------------------
assi (attr store1 < 1.423 and attr store1 > 1.303)
    ((attr store1 < 3.504 and attr store1 > 3.444)
     and bondedto (attr store1 < 35.044 and attr store1 > 33.844))
6 6 0 peak 5001 volume 137711200 hpm1 34.444 ppm1 3.474 ppm2 1.363
!# peak 5002-----------------------------------------------
assi (attr store1 < 1.025 and attr store1 > 0.905)
    ((attr store1 < 4.010 and attr store1 > 3.950)
     and bondedto (attr store1 < 35.013 and attr store1 > 33.813))
6 6 0 peak 5002 volume 217552496 hpm1 34.413 ppm1 3.980 ppm2 0.965
!# peak 5003-----------------------------------------------
assi (attr store1 < 0.966 and attr store1 > 0.846)
    ((attr store1 < 3.505 and attr store1 > 3.445)
     and bondedto (attr store1 < 35.043 and attr store1 > 33.843))
6 6 0 peak 5003 volume 137778896 hpm1 34.443 ppm1 3.475 ppm2 0.906
!# peak 5004-----------------------------------------------
assi (attr store1 < 0.936 and attr store1 > 0.816)
    ((attr store1 < 1.896 and attr store1 > 1.836)
     and bondedto (attr store1 < 35.042 and attr store1 > 33.842))
6 6 0 peak 5004 volume 173151008 hpm1 34.442 ppm1 1.866 ppm2 0.876
!# peak 5006-----------------------------------------------
assi (attr store1 < 0.747 and attr store1 > 0.627)
    ((attr store1 < 4.055 and attr store1 > 3.995)
     and bondedto (attr store1 < 35.035 and attr store1 > 33.835))
6 6 0 peak 5006 volume 377890208 hpm1 34.435 ppm1 4.025 ppm2 0.687
!# peak 5008-----------------------------------------------
assi (attr store1 < 0.568 and attr store1 > 0.448)
    ((attr store1 < 4.213 and attr store1 > 4.153)
     and bondedto (attr store1 < 35.026 and attr store1 > 33.826))
6 6 0 peak 5008 volume 505397984 hpm1 34.426 ppm1 4.183 ppm2 0.508
!# peak 5009-----------------------------------------------
assi (attr store1 < 0.471 and attr store1 > 0.351)
    ((attr store1 < 4.055 and attr store1 > 3.995)
     and bondedto (attr store1 < 35.032 and attr store1 > 33.832))
6 6 0 peak 5009 volume 709517184 hpm1 34.432 ppm1 4.025 ppm2 0.411
!# peak 5010-----------------------------------------------
assi (attr store1 < 0.435 and attr store1 > 0.315)
    ((attr store1 < 3.491 and attr store1 > 3.431)
     and bondedto (attr store1 < 35.036 and attr store1 > 33.836))
6 6 0 peak 5010 volume 359019392 hpm1 34.436 ppm1 3.461 ppm2 0.375
!# peak 5011-----------------------------------------------
assi (attr store1 < 0.194 and attr store1 > 0.074)
    ((attr store1 < 3.504 and attr store1 > 3.444)
     and bondedto (attr store1 < 35.043 and attr store1 > 33.843))
6 6 0 peak 5011 volume 206958800 hpm1 34.443 ppm1 3.474 ppm2 0.134
!# peak 5016-----------------------------------------------
assi (attr store1 < 9.145 and attr store1 > 9.025)
    ((attr store1 < 3.301 and attr store1 > 3.241)
     and bondedto (attr store1 < 34.861 and attr store1 > 33.661))
6 6 0 peak 5016 volume 61500840 hpm1 34.261 ppm1 3.271 ppm2 9.085
!# peak 5017-----------------------------------------------
assi (attr store1 < 9.076 and attr store1 > 8.956)
    ((attr store1 < 4.171 and attr store1 > 4.111)
     and bondedto (attr store1 < 34.867 and attr store1 > 33.667))
6 6 0 peak 5017 volume 173910896 hpm1 34.267 ppm1 4.141 ppm2 9.016
!# peak 5018-----------------------------------------------
assi (attr store1 < 8.741 and attr store1 > 8.621)
    ((attr store1 < 3.300 and attr store1 > 3.240)
     and bondedto (attr store1 < 34.864 and attr store1 > 33.664))
6 6 0 peak 5018 volume 195688688 hpm1 34.264 ppm1 3.270 ppm2 8.681
!# peak 5019-----------------------------------------------
assi (attr store1 < 8.568 and attr store1 > 8.448)
    ((attr store1 < 3.892 and attr store1 > 3.832)
     and bondedto (attr store1 < 34.826 and attr store1 > 33.626))
6 6 0 peak 5019 volume 280813184 hpm1 34.226 ppm1 3.862 ppm2 8.508
!# peak 5020-----------------------------------------------
assi (attr store1 < 8.291 and attr store1 > 8.171)
    ((attr store1 < 3.849 and attr store1 > 3.789)
     and bondedto (attr store1 < 34.856 and attr store1 > 33.656))
6 6 0 peak 5020 volume 285743008 hpm1 34.256 ppm1 3.819 ppm2 8.231
!# peak 5021-----------------------------------------------
assi (attr store1 < 8.106 and attr store1 > 7.986)
    ((attr store1 < 3.893 and attr store1 > 3.833)
     and bondedto (attr store1 < 34.833 and attr store1 > 33.633))
6 6 0 peak 5021 volume 490505088 hpm1 34.233 ppm1 3.863 ppm2 8.046
!# peak 5022-----------------------------------------------
assi (attr store1 < 7.886 and attr store1 > 7.766)
    ((attr store1 < 3.302 and attr store1 > 3.242)
     and bondedto (attr store1 < 34.865 and attr store1 > 33.665))
6 6 0 peak 5022 volume 54873152 hpm1 34.265 ppm1 3.272 ppm2 7.826
!# peak 5023-----------------------------------------------
assi (attr store1 < 7.837 and attr store1 > 7.717)
    ((attr store1 < 3.852 and attr store1 > 3.792)
     and bondedto (attr store1 < 34.848 and attr store1 > 33.648))
6 6 0 peak 5023 volume 159326800 hpm1 34.248 ppm1 3.822 ppm2 7.777
!# peak 5024-----------------------------------------------
assi (attr store1 < 7.419 and attr store1 > 7.299)
    ((attr store1 < 3.849 and attr store1 > 3.789)
     and bondedto (attr store1 < 34.842 and attr store1 > 33.642))
6 6 0 peak 5024 volume 26755900 hpm1 34.242 ppm1 3.819 ppm2 7.359
!# peak 5039-----------------------------------------------
assi (attr store1 < 2.386 and attr store1 > 2.266)
    ((attr store1 < 4.174 and attr store1 > 4.114)
     and bondedto (attr store1 < 34.856 and attr store1 > 33.656))
6 6 0 peak 5039 volume 218911712 hpm1 34.256 ppm1 4.144 ppm2 2.326
!# peak 5041-----------------------------------------------
assi (attr store1 < 1.968 and attr store1 > 1.848)
    ((attr store1 < 3.300 and attr store1 > 3.240)
     and bondedto (attr store1 < 34.864 and attr store1 > 33.664))
6 6 0 peak 5041 volume 273618912 hpm1 34.264 ppm1 3.270 ppm2 1.908
!# peak 5042-----------------------------------------------
assi (attr store1 < 1.759 and attr store1 > 1.639)
    ((attr store1 < 3.849 and attr store1 > 3.789)
     and bondedto (attr store1 < 34.825 and attr store1 > 33.625))
6 6 0 peak 5042 volume 1120247040 hpm1 34.225 ppm1 3.819 ppm2 1.699
!# peak 5043-----------------------------------------------
assi (attr store1 < 1.780 and attr store1 > 1.660)
    ((attr store1 < 4.189 and attr store1 > 4.129)
     and bondedto (attr store1 < 34.865 and attr store1 > 33.665))
6 6 0 peak 5043 volume 2080550016 hpm1 34.265 ppm1 4.159 ppm2 1.720
!# peak 5044-----------------------------------------------
assi (attr store1 < 1.606 and attr store1 > 1.486)
    ((attr store1 < 3.848 and attr store1 > 3.788)
     and bondedto (attr store1 < 34.857 and attr store1 > 33.657))
6 6 0 peak 5044 volume 412930784 hpm1 34.257 ppm1 3.818 ppm2 1.546
!# peak 5045-----------------------------------------------
assi (attr store1 < 1.464 and attr store1 > 1.344)
    ((attr store1 < 3.851 and attr store1 > 3.791)
     and bondedto (attr store1 < 34.853 and attr store1 > 33.653))
6 6 0 peak 5045 volume 675601920 hpm1 34.253 ppm1 3.821 ppm2 1.404
!# peak 5046-----------------------------------------------
assi (attr store1 < 1.385 and attr store1 > 1.265)
    ((attr store1 < 4.173 and attr store1 > 4.113)
     and bondedto (attr store1 < 34.863 and attr store1 > 33.663))
6 6 0 peak 5046 volume 781805696 hpm1 34.263 ppm1 4.143 ppm2 1.325
!# peak 5047-----------------------------------------------
assi (attr store1 < 1.188 and attr store1 > 1.068)
    ((attr store1 < 4.173 and attr store1 > 4.113)
     and bondedto (attr store1 < 34.860 and attr store1 > 33.660))
6 6 0 peak 5047 volume 322357728 hpm1 34.260 ppm1 4.143 ppm2 1.128
!# peak 5048-----------------------------------------------
assi (attr store1 < 1.197 and attr store1 > 1.077)
    ((attr store1 < 3.848 and attr store1 > 3.788)
     and bondedto (attr store1 < 34.857 and attr store1 > 33.657))
6 6 0 peak 5048 volume 124426296 hpm1 34.257 ppm1 3.818 ppm2 1.137
!# peak 5050-----------------------------------------------
assi (attr store1 < 1.064 and attr store1 > 0.944)
    ((attr store1 < 3.300 and attr store1 > 3.240)
     and bondedto (attr store1 < 34.864 and attr store1 > 33.664))
6 6 0 peak 5050 volume 304962016 hpm1 34.264 ppm1 3.270 ppm2 1.004
!# peak 5051-----------------------------------------------
assi (attr store1 < 0.870 and attr store1 > 0.750)
    ((attr store1 < 3.849 and attr store1 > 3.789)
     and bondedto (attr store1 < 34.855 and attr store1 > 33.655))
6 6 0 peak 5051 volume 595059840 hpm1 34.255 ppm1 3.819 ppm2 0.810
!# peak 5052-----------------------------------------------
assi (attr store1 < 0.843 and attr store1 > 0.723)
    ((attr store1 < 3.300 and attr store1 > 3.240)
     and bondedto (attr store1 < 34.862 and attr store1 > 33.662))
6 6 0 peak 5052 volume 264252304 hpm1 34.262 ppm1 3.270 ppm2 0.783
!# peak 5053-----------------------------------------------
assi (attr store1 < 0.607 and attr store1 > 0.487)
    ((attr store1 < 3.893 and attr store1 > 3.833)
     and bondedto (attr store1 < 34.823 and attr store1 > 33.623))
6 6 0 peak 5053 volume 185334992 hpm1 34.223 ppm1 3.863 ppm2 0.547
!# peak 5055-----------------------------------------------
assi (attr store1 < 0.431 and attr store1 > 0.311)
    ((attr store1 < 3.893 and attr store1 > 3.833)
     and bondedto (attr store1 < 34.826 and attr store1 > 33.626))
6 6 0 peak 5055 volume 424839104 hpm1 34.226 ppm1 3.863 ppm2 0.371
!# peak 5056-----------------------------------------------
assi (attr store1 < 0.278 and attr store1 > 0.158)
    ((attr store1 < 3.301 and attr store1 > 3.241)
     and bondedto (attr store1 < 34.862 and attr store1 > 33.662))
6 6 0 peak 5056 volume 486899904 hpm1 34.262 ppm1 3.271 ppm2 0.218
!# peak 5063-----------------------------------------------
assi (attr store1 < 7.190 and attr store1 > 7.070)
    ((attr store1 < 3.894 and attr store1 > 3.834)
     and bondedto (attr store1 < 34.680 and attr store1 > 33.480))
6 6 0 peak 5063 volume 61396868 hpm1 34.080 ppm1 3.864 ppm2 7.130
!# peak 5085-----------------------------------------------
assi (attr store1 < 7.789 and attr store1 > 7.669)
    ((attr store1 < 3.984 and attr store1 > 3.924)
     and bondedto (attr store1 < 34.452 and attr store1 > 33.252))
6 6 0 peak 5085 volume 337463712 hpm1 33.852 ppm1 3.954 ppm2 7.729
!# peak 5090-----------------------------------------------
assi (attr store1 < 3.476 and attr store1 > 3.356)
    ((attr store1 < 3.985 and attr store1 > 3.925)
     and bondedto (attr store1 < 34.479 and attr store1 > 33.279))
6 6 0 peak 5090 volume 89651736 hpm1 33.879 ppm1 3.955 ppm2 3.416
!# peak 5091-----------------------------------------------
assi (attr store1 < 1.422 and attr store1 > 1.302)
    ((attr store1 < 3.985 and attr store1 > 3.925)
     and bondedto (attr store1 < 34.474 and attr store1 > 33.274))
6 6 0 peak 5091 volume 1203965952 hpm1 33.874 ppm1 3.955 ppm2 1.362
!# peak 5102-----------------------------------------------
assi (attr store1 < 8.368 and attr store1 > 8.248)
    ((attr store1 < 1.370 and attr store1 > 1.310)
     and bondedto (attr store1 < 34.287 and attr store1 > 33.087))
6 6 0 peak 5102 volume 33878072 hpm1 33.687 ppm1 1.340 ppm2 8.308
!# peak 5103-----------------------------------------------
assi (attr store1 < 8.351 and attr store1 > 8.231)
    ((attr store1 < 0.914 and attr store1 > 0.854)
     and bondedto (attr store1 < 34.286 and attr store1 > 33.086))
6 6 0 peak 5103 volume 41949808 hpm1 33.686 ppm1 0.884 ppm2 8.291
!# peak 5107-----------------------------------------------
assi (attr store1 < 7.476 and attr store1 > 7.356)
    ((attr store1 < 2.488 and attr store1 > 2.428)
     and bondedto (attr store1 < 34.261 and attr store1 > 33.061))
6 6 0 peak 5107 volume 160452000 hpm1 33.661 ppm1 2.458 ppm2 7.416
!# peak 5108-----------------------------------------------
assi (attr store1 < 7.479 and attr store1 > 7.359)
    ((attr store1 < 2.370 and attr store1 > 2.310)
     and bondedto (attr store1 < 34.258 and attr store1 > 33.058))
6 6 0 peak 5108 volume 137755792 hpm1 33.658 ppm1 2.340 ppm2 7.419
!# peak 5111-----------------------------------------------
assi (attr store1 < 7.436 and attr store1 > 7.316)
    ((attr store1 < 1.936 and attr store1 > 1.876)
     and bondedto (attr store1 < 34.278 and attr store1 > 33.078))
6 6 0 peak 5111 volume 275660320 hpm1 33.678 ppm1 1.906 ppm2 7.376
!# peak 5112-----------------------------------------------
assi (attr store1 < 7.340 and attr store1 > 7.220)
    ((attr store1 < 1.373 and attr store1 > 1.313)
     and bondedto (attr store1 < 34.285 and attr store1 > 33.085))
6 6 0 peak 5112 volume 76957512 hpm1 33.685 ppm1 1.343 ppm2 7.280
!# peak 5113-----------------------------------------------
assi (attr store1 < 7.338 and attr store1 > 7.218)
    ((attr store1 < 0.911 and attr store1 > 0.851)
     and bondedto (attr store1 < 34.286 and attr store1 > 33.086))
6 6 0 peak 5113 volume 551482 hpm1 33.686 ppm1 0.881 ppm2 7.278
!# peak 5115-----------------------------------------------
assi (attr store1 < 7.113 and attr store1 > 6.993)
    ((attr store1 < 1.371 and attr store1 > 1.311)
     and bondedto (attr store1 < 34.278 and attr store1 > 33.078))
6 6 0 peak 5115 volume 106637904 hpm1 33.678 ppm1 1.341 ppm2 7.053
!# peak 5116-----------------------------------------------
assi (attr store1 < 6.930 and attr store1 > 6.810)
    ((attr store1 < 0.913 and attr store1 > 0.853)
     and bondedto (attr store1 < 34.289 and attr store1 > 33.089))
6 6 0 peak 5116 volume 44968340 hpm1 33.689 ppm1 0.883 ppm2 6.870
!# peak 5118-----------------------------------------------
assi (attr store1 < 6.603 and attr store1 > 6.483)
    ((attr store1 < 1.389 and attr store1 > 1.329)
     and bondedto (attr store1 < 34.285 and attr store1 > 33.085))
6 6 0 peak 5118 volume 64564328 hpm1 33.685 ppm1 1.359 ppm2 6.543
!# peak 5119-----------------------------------------------
assi (attr store1 < 6.604 and attr store1 > 6.484)
    ((attr store1 < 0.913 and attr store1 > 0.853)
     and bondedto (attr store1 < 34.289 and attr store1 > 33.089))
6 6 0 peak 5119 volume 163628992 hpm1 33.689 ppm1 0.883 ppm2 6.544
!# peak 5147-----------------------------------------------
assi (attr store1 < 3.557 and attr store1 > 3.437)
    ((attr store1 < 0.917 and attr store1 > 0.857)
     and bondedto (attr store1 < 34.282 and attr store1 > 33.082))
6 6 0 peak 5147 volume 102299696 hpm1 33.682 ppm1 0.887 ppm2 3.497
!# peak 5148-----------------------------------------------
assi (attr store1 < 3.207 and attr store1 > 3.087)
    ((attr store1 < 3.984 and attr store1 > 3.924)
     and bondedto (attr store1 < 34.268 and attr store1 > 33.068))
6 6 0 peak 5148 volume 66792576 hpm1 33.668 ppm1 3.954 ppm2 3.147
!# peak 5151-----------------------------------------------
assi (attr store1 < 3.063 and attr store1 > 2.943)
    ((attr store1 < 3.986 and attr store1 > 3.926)
     and bondedto (attr store1 < 34.302 and attr store1 > 33.102))
6 6 0 peak 5151 volume 49009548 hpm1 33.702 ppm1 3.956 ppm2 3.003
!# peak 5152-----------------------------------------------
assi (attr store1 < 3.008 and attr store1 > 2.888)
    ((attr store1 < 1.938 and attr store1 > 1.878)
     and bondedto (attr store1 < 34.284 and attr store1 > 33.084))
6 6 0 peak 5152 volume 80445096 hpm1 33.684 ppm1 1.908 ppm2 2.948
!# peak 5158-----------------------------------------------
assi (attr store1 < 2.160 and attr store1 > 2.040)
    ((attr store1 < 2.486 and attr store1 > 2.426)
     and bondedto (attr store1 < 34.267 and attr store1 > 33.067))
6 6 0 peak 5158 volume 438510080 hpm1 33.667 ppm1 2.456 ppm2 2.100
!# peak 5161-----------------------------------------------
assi (attr store1 < 1.970 and attr store1 > 1.850)
    ((attr store1 < 3.983 and attr store1 > 3.923)
     and bondedto (attr store1 < 34.313 and attr store1 > 33.113))
6 6 0 peak 5161 volume 629605888 hpm1 33.713 ppm1 3.953 ppm2 1.910
!# peak 5165-----------------------------------------------
assi (attr store1 < 1.649 and attr store1 > 1.529)
    ((attr store1 < 1.936 and attr store1 > 1.876)
     and bondedto (attr store1 < 34.278 and attr store1 > 33.078))
6 6 0 peak 5165 volume 1566866944 hpm1 33.678 ppm1 1.906 ppm2 1.589
!# peak 5170-----------------------------------------------
assi (attr store1 < 1.429 and attr store1 > 1.309)
    ((attr store1 < 0.917 and attr store1 > 0.857)
     and bondedto (attr store1 < 34.280 and attr store1 > 33.080))
6 6 0 peak 5170 volume 1126504064 hpm1 33.680 ppm1 0.887 ppm2 1.369
!# peak 5172-----------------------------------------------
assi (attr store1 < 0.971 and attr store1 > 0.851)
    ((attr store1 < 2.483 and attr store1 > 2.423)
     and bondedto (attr store1 < 34.263 and attr store1 > 33.063))
6 6 0 peak 5172 volume 97464176 hpm1 33.663 ppm1 2.453 ppm2 0.911
!# peak 5173-----------------------------------------------
assi (attr store1 < 0.974 and attr store1 > 0.854)
    ((attr store1 < 2.371 and attr store1 > 2.311)
     and bondedto (attr store1 < 34.264 and attr store1 > 33.064))
6 6 0 peak 5173 volume 118209600 hpm1 33.664 ppm1 2.341 ppm2 0.914
!# peak 5174-----------------------------------------------
assi (attr store1 < 0.964 and attr store1 > 0.844)
    ((attr store1 < 1.371 and attr store1 > 1.311)
     and bondedto (attr store1 < 34.279 and attr store1 > 33.079))
6 6 0 peak 5174 volume 1687418112 hpm1 33.679 ppm1 1.341 ppm2 0.904
!# peak 5180-----------------------------------------------
assi (attr store1 < 0.461 and attr store1 > 0.341)
    ((attr store1 < 1.371 and attr store1 > 1.311)
     and bondedto (attr store1 < 34.278 and attr store1 > 33.078))
6 6 0 peak 5180 volume 1126743040 hpm1 33.678 ppm1 1.341 ppm2 0.401
!# peak 5181-----------------------------------------------
assi (attr store1 < 0.466 and attr store1 > 0.346)
    ((attr store1 < 0.903 and attr store1 > 0.843)
     and bondedto (attr store1 < 34.276 and attr store1 > 33.076))
6 6 0 peak 5181 volume 217805696 hpm1 33.676 ppm1 0.873 ppm2 0.406
!# peak 5183-----------------------------------------------
assi (attr store1 < 0.192 and attr store1 > 0.072)
    ((attr store1 < 1.371 and attr store1 > 1.311)
     and bondedto (attr store1 < 34.279 and attr store1 > 33.079))
6 6 0 peak 5183 volume 271531488 hpm1 33.679 ppm1 1.341 ppm2 0.132
!# peak 5184-----------------------------------------------
assi (attr store1 < 0.193 and attr store1 > 0.073)
    ((attr store1 < 0.897 and attr store1 > 0.837)
     and bondedto (attr store1 < 34.275 and attr store1 > 33.075))
6 6 0 peak 5184 volume 204948896 hpm1 33.675 ppm1 0.867 ppm2 0.133
!# peak 5189-----------------------------------------------
assi (attr store1 < 8.799 and attr store1 > 8.679)
    ((attr store1 < 2.490 and attr store1 > 2.430)
     and bondedto (attr store1 < 34.127 and attr store1 > 32.927))
6 6 0 peak 5189 volume 68306560 hpm1 33.527 ppm1 2.460 ppm2 8.739
!# peak 5190-----------------------------------------------
assi (attr store1 < 8.793 and attr store1 > 8.673)
    ((attr store1 < 2.368 and attr store1 > 2.308)
     and bondedto (attr store1 < 34.129 and attr store1 > 32.929))
6 6 0 peak 5190 volume 33498808 hpm1 33.529 ppm1 2.338 ppm2 8.733
!# peak 5198-----------------------------------------------
assi (attr store1 < 8.018 and attr store1 > 7.898)
    ((attr store1 < 4.172 and attr store1 > 4.112)
     and bondedto (attr store1 < 34.117 and attr store1 > 32.917))
6 6 0 peak 5198 volume 372580192 hpm1 33.517 ppm1 4.142 ppm2 7.958
!# peak 5205-----------------------------------------------
assi (attr store1 < 7.465 and attr store1 > 7.345)
    ((attr store1 < 4.172 and attr store1 > 4.112)
     and bondedto (attr store1 < 34.114 and attr store1 > 32.914))
6 6 0 peak 5205 volume 117354104 hpm1 33.514 ppm1 4.142 ppm2 7.405
!# peak 5247-----------------------------------------------
assi (attr store1 < 3.791 and attr store1 > 3.671)
    ((attr store1 < 4.171 and attr store1 > 4.111)
     and bondedto (attr store1 < 34.113 and attr store1 > 32.913))
6 6 0 peak 5247 volume 27065400 hpm1 33.513 ppm1 4.141 ppm2 3.731
!# peak 5250-----------------------------------------------
assi (attr store1 < 2.923 and attr store1 > 2.803)
    ((attr store1 < 1.355 and attr store1 > 1.295)
     and bondedto (attr store1 < 34.108 and attr store1 > 32.908))
6 6 0 peak 5250 volume 136694096 hpm1 33.508 ppm1 1.325 ppm2 2.863
!# peak 5263-----------------------------------------------
assi (attr store1 < 2.387 and attr store1 > 2.267)
    ((attr store1 < 4.172 and attr store1 > 4.112)
     and bondedto (attr store1 < 34.124 and attr store1 > 32.924))
6 6 0 peak 5263 volume 72384992 hpm1 33.524 ppm1 4.142 ppm2 2.327
!# peak 5267-----------------------------------------------
assi (attr store1 < 2.154 and attr store1 > 2.034)
    ((attr store1 < 2.371 and attr store1 > 2.311)
     and bondedto (attr store1 < 34.103 and attr store1 > 32.903))
6 6 0 peak 5267 volume 1047120960 hpm1 33.503 ppm1 2.341 ppm2 2.094
!# peak 5269-----------------------------------------------
assi (attr store1 < 1.961 and attr store1 > 1.841)
    ((attr store1 < 4.172 and attr store1 > 4.112)
     and bondedto (attr store1 < 34.114 and attr store1 > 32.914))
6 6 0 peak 5269 volume 795992640 hpm1 33.514 ppm1 4.142 ppm2 1.901
!# peak 5273-----------------------------------------------
assi (attr store1 < 1.691 and attr store1 > 1.571)
    ((attr store1 < 4.171 and attr store1 > 4.111)
     and bondedto (attr store1 < 34.111 and attr store1 > 32.911))
6 6 0 peak 5273 volume 719853376 hpm1 33.511 ppm1 4.141 ppm2 1.631
!# peak 5276-----------------------------------------------
assi (attr store1 < 0.978 and attr store1 > 0.858)
    ((attr store1 < 4.171 and attr store1 > 4.111)
     and bondedto (attr store1 < 34.113 and attr store1 > 32.913))
6 6 0 peak 5276 volume 558439296 hpm1 33.513 ppm1 4.141 ppm2 0.918
!# peak 5287-----------------------------------------------
assi (attr store1 < 6.918 and attr store1 > 6.798)
    ((attr store1 < 2.372 and attr store1 > 2.312)
     and bondedto (attr store1 < 33.912 and attr store1 > 32.712))
6 6 0 peak 5287 volume 44898520 hpm1 33.312 ppm1 2.342 ppm2 6.858
!# peak 5331-----------------------------------------------
assi (attr store1 < 8.107 and attr store1 > 7.987)
    ((attr store1 < 3.921 and attr store1 > 3.861)
     and bondedto (attr store1 < 33.713 and attr store1 > 32.513))
6 6 0 peak 5331 volume 209739408 hpm1 33.113 ppm1 3.891 ppm2 8.047
!# peak 5336-----------------------------------------------
assi (attr store1 < 7.155 and attr store1 > 7.035)
    ((attr store1 < 3.920 and attr store1 > 3.860)
     and bondedto (attr store1 < 33.720 and attr store1 > 32.520))
6 6 0 peak 5336 volume 67885640 hpm1 33.120 ppm1 3.890 ppm2 7.095
!# peak 5359-----------------------------------------------
assi (attr store1 < 4.781 and attr store1 > 4.661)
    ((attr store1 < 2.375 and attr store1 > 2.315)
     and bondedto (attr store1 < 33.716 and attr store1 > 32.516))
6 6 0 peak 5359 volume 170249200 hpm1 33.116 ppm1 2.345 ppm2 4.721
!# peak 5360-----------------------------------------------
assi (attr store1 < 4.79 and attr store1 > 4.67)
    ((attr store1 < 1.581 and attr store1 > 1.521)
     and bondedto (attr store1 < 33.718 and attr store1 > 32.518))
6 6 0 peak 5360 volume 179314000 hpm1 33.118 ppm1 1.551 ppm2 4.73
!# peak 5362-----------------------------------------------
assi (attr store1 < 4.568 and attr store1 > 4.448)
    ((attr store1 < 1.576 and attr store1 > 1.516)
     and bondedto (attr store1 < 33.743 and attr store1 > 32.543))
6 6 0 peak 5362 volume 479152000 hpm1 33.143 ppm1 1.546 ppm2 4.508
!# peak 5374-----------------------------------------------
assi (attr store1 < 2.653 and attr store1 > 2.533)
    ((attr store1 < 2.035 and attr store1 > 1.975)
     and bondedto (attr store1 < 33.751 and attr store1 > 32.551))
6 6 0 peak 5374 volume 310628416 hpm1 33.151 ppm1 2.005 ppm2 2.593
!# peak 5375-----------------------------------------------
assi (attr store1 < 2.563 and attr store1 > 2.443)
    ((attr store1 < 1.965 and attr store1 > 1.905)
     and bondedto (attr store1 < 33.740 and attr store1 > 32.540))
6 6 0 peak 5375 volume 104194800 hpm1 33.140 ppm1 1.935 ppm2 2.503
!# peak 5376-----------------------------------------------
assi (attr store1 < 2.434 and attr store1 > 2.314)
    ((attr store1 < 1.578 and attr store1 > 1.518)
     and bondedto (attr store1 < 33.729 and attr store1 > 32.529))
6 6 0 peak 5376 volume 914936448 hpm1 33.129 ppm1 1.548 ppm2 2.374
!# peak 5377-----------------------------------------------
assi (attr store1 < 2.101 and attr store1 > 1.981)
    ((attr store1 < 1.577 and attr store1 > 1.517)
     and bondedto (attr store1 < 33.731 and attr store1 > 32.531))
6 6 0 peak 5377 volume 65184300 hpm1 33.131 ppm1 1.547 ppm2 2.041
!# peak 5378-----------------------------------------------
assi (attr store1 < 1.877 and attr store1 > 1.757)
    ((attr store1 < 3.921 and attr store1 > 3.861)
     and bondedto (attr store1 < 33.712 and attr store1 > 32.512))
6 6 0 peak 5378 volume 650935680 hpm1 33.112 ppm1 3.891 ppm2 1.817
!# peak 5381-----------------------------------------------
assi (attr store1 < 1.618 and attr store1 > 1.498)
    ((attr store1 < 2.377 and attr store1 > 2.317)
     and bondedto (attr store1 < 33.728 and attr store1 > 32.528))
6 6 0 peak 5381 volume 1314965888 hpm1 33.128 ppm1 2.347 ppm2 1.558
!# peak 5384-----------------------------------------------
assi (attr store1 < 1.381 and attr store1 > 1.261)
    ((attr store1 < 3.921 and attr store1 > 3.861)
     and bondedto (attr store1 < 33.710 and attr store1 > 32.510))
6 6 0 peak 5384 volume 427678784 hpm1 33.110 ppm1 3.891 ppm2 1.321
!# peak 5386-----------------------------------------------
assi (attr store1 < 0.968 and attr store1 > 0.848)
    ((attr store1 < 3.921 and attr store1 > 3.861)
     and bondedto (attr store1 < 33.705 and attr store1 > 32.505))
6 6 0 peak 5386 volume 538944768 hpm1 33.105 ppm1 3.891 ppm2 0.908
!# peak 5399-----------------------------------------------
assi (attr store1 < 2.522 and attr store1 > 2.402)
    ((attr store1 < 2.125 and attr store1 > 2.065)
     and bondedto (attr store1 < 33.543 and attr store1 > 32.343))
6 6 0 peak 5399 volume 42642288 hpm1 32.943 ppm1 2.095 ppm2 2.462
!# peak 5405-----------------------------------------------
assi (attr store1 < 10.301 and attr store1 > 10.181)
    ((attr store1 < 1.416 and attr store1 > 1.356)
     and bondedto (attr store1 < 33.335 and attr store1 > 32.135))
6 6 0 peak 5405 volume 37395760 hpm1 32.735 ppm1 1.386 ppm2 10.241
!# peak 5407-----------------------------------------------
assi (attr store1 < 7.882 and attr store1 > 7.762)
    ((attr store1 < 1.802 and attr store1 > 1.742)
     and bondedto (attr store1 < 33.344 and attr store1 > 32.144))
6 6 0 peak 5407 volume 231645008 hpm1 32.744 ppm1 1.772 ppm2 7.822
!# peak 5408-----------------------------------------------
assi (attr store1 < 7.748 and attr store1 > 7.628)
    ((attr store1 < 4.210 and attr store1 > 4.150)
     and bondedto (attr store1 < 33.332 and attr store1 > 32.132))
6 6 0 peak 5408 volume 398807712 hpm1 32.732 ppm1 4.180 ppm2 7.688
!# peak 5410-----------------------------------------------
assi (attr store1 < 6.422 and attr store1 > 6.302)
    ((attr store1 < 1.415 and attr store1 > 1.355)
     and bondedto (attr store1 < 33.331 and attr store1 > 32.131))
6 6 0 peak 5410 volume 40190540 hpm1 32.731 ppm1 1.385 ppm2 6.362
!# peak 5430-----------------------------------------------
assi (attr store1 < 2.702 and attr store1 > 2.582)
    ((attr store1 < 2.127 and attr store1 > 2.067)
     and bondedto (attr store1 < 33.362 and attr store1 > 32.162))
6 6 0 peak 5430 volume 146296896 hpm1 32.762 ppm1 2.097 ppm2 2.642
!# peak 5440-----------------------------------------------
assi (attr store1 < 0.830 and attr store1 > 0.710)
    ((attr store1 < 1.802 and attr store1 > 1.742)
     and bondedto (attr store1 < 33.344 and attr store1 > 32.144))
6 6 0 peak 5440 volume 1354982016 hpm1 32.744 ppm1 1.772 ppm2 0.770
!# peak 5441-----------------------------------------------
assi (attr store1 < 0.609 and attr store1 > 0.489)
    ((attr store1 < 1.416 and attr store1 > 1.356)
     and bondedto (attr store1 < 33.343 and attr store1 > 32.143))
6 6 0 peak 5441 volume 1173603968 hpm1 32.743 ppm1 1.386 ppm2 0.549
!# peak 5457-----------------------------------------------
assi (attr store1 < 8.007 and attr store1 > 7.887)
    ((attr store1 < 4.191 and attr store1 > 4.131)
     and bondedto (attr store1 < 33.173 and attr store1 > 31.973))
6 6 0 peak 5457 volume 47425220 hpm1 32.573 ppm1 4.161 ppm2 7.947
!# peak 5459-----------------------------------------------
assi (attr store1 < 7.467 and attr store1 > 7.347)
    ((attr store1 < 4.191 and attr store1 > 4.131)
     and bondedto (attr store1 < 33.165 and attr store1 > 31.965))
6 6 0 peak 5459 volume 44977940 hpm1 32.565 ppm1 4.161 ppm2 7.407
!# peak 5478-----------------------------------------------
assi (attr store1 < 2.232 and attr store1 > 2.112)
    ((attr store1 < 2.123 and attr store1 > 2.063)
     and bondedto (attr store1 < 33.194 and attr store1 > 31.994))
6 6 0 peak 5478 volume 0.1647955e+11 hpm1 32.594 ppm1 2.093 ppm2 2.172
!# peak 5480-----------------------------------------------
assi (attr store1 < 1.925 and attr store1 > 1.805)
    ((attr store1 < 4.194 and attr store1 > 4.134)
     and bondedto (attr store1 < 33.183 and attr store1 > 31.983))
6 6 0 peak 5480 volume 747750208 hpm1 32.583 ppm1 4.164 ppm2 1.865
!# peak 5482-----------------------------------------------
assi (attr store1 < 1.748 and attr store1 > 1.628)
    ((attr store1 < 4.192 and attr store1 > 4.132)
     and bondedto (attr store1 < 33.168 and attr store1 > 31.968))
6 6 0 peak 5482 volume 680742208 hpm1 32.568 ppm1 4.162 ppm2 1.688
!# peak 5483-----------------------------------------------
assi (attr store1 < 1.512 and attr store1 > 1.392)
    ((attr store1 < 4.190 and attr store1 > 4.130)
     and bondedto (attr store1 < 33.169 and attr store1 > 31.969))
6 6 0 peak 5483 volume 469401088 hpm1 32.569 ppm1 4.160 ppm2 1.452
!# peak 5484-----------------------------------------------
assi (attr store1 < 1.237 and attr store1 > 1.117)
    ((attr store1 < 4.191 and attr store1 > 4.131)
     and bondedto (attr store1 < 33.179 and attr store1 > 31.979))
6 6 0 peak 5484 volume 110018400 hpm1 32.579 ppm1 4.161 ppm2 1.177
!# peak 5486-----------------------------------------------
assi (attr store1 < 0.922 and attr store1 > 0.802)
    ((attr store1 < 4.190 and attr store1 > 4.130)
     and bondedto (attr store1 < 33.171 and attr store1 > 31.971))
6 6 0 peak 5486 volume 735382528 hpm1 32.571 ppm1 4.160 ppm2 0.862
!# peak 5489-----------------------------------------------
assi (attr store1 < 0.509 and attr store1 > 0.389)
    ((attr store1 < 4.188 and attr store1 > 4.128)
     and bondedto (attr store1 < 33.18 and attr store1 > 31.98))
6 6 0 peak 5489 volume 28415858 hpm1 32.58 ppm1 4.158 ppm2 0.449
!# peak 5492-----------------------------------------------
assi (attr store1 < 10.325 and attr store1 > 10.205)
    ((attr store1 < 2.487 and attr store1 > 2.427)
     and bondedto (attr store1 < 32.970 and attr store1 > 31.770))
6 6 0 peak 5492 volume 37138060 hpm1 32.370 ppm1 2.457 ppm2 10.265
!# peak 5494-----------------------------------------------
assi (attr store1 < 9.462 and attr store1 > 9.342)
    ((attr store1 < 2.456 and attr store1 > 2.396)
     and bondedto (attr store1 < 32.955 and attr store1 > 31.755))
6 6 0 peak 5494 volume 15711200 hpm1 32.355 ppm1 2.426 ppm2 9.402
!# peak 5496-----------------------------------------------
assi (attr store1 < 8.372 and attr store1 > 8.252)
    ((attr store1 < 1.755 and attr store1 > 1.695)
     and bondedto (attr store1 < 33.002 and attr store1 > 31.802))
6 6 0 peak 5496 volume 230720992 hpm1 32.402 ppm1 1.725 ppm2 8.312
!# peak 5498-----------------------------------------------
assi (attr store1 < 8.156 and attr store1 > 8.036)
    ((attr store1 < 2.601 and attr store1 > 2.541)
     and bondedto (attr store1 < 32.984 and attr store1 > 31.784))
6 6 0 peak 5498 volume 125239704 hpm1 32.384 ppm1 2.571 ppm2 8.096
!# peak 5499-----------------------------------------------
assi (attr store1 < 7.650 and attr store1 > 7.530)
    ((attr store1 < 2.601 and attr store1 > 2.541)
     and bondedto (attr store1 < 32.985 and attr store1 > 31.785))
6 6 0 peak 5499 volume 404783104 hpm1 32.385 ppm1 2.571 ppm2 7.590
!# peak 5500-----------------------------------------------
assi (attr store1 < 7.422 and attr store1 > 7.302)
    ((attr store1 < 3.049 and attr store1 > 2.989)
     and bondedto (attr store1 < 32.977 and attr store1 > 31.777))
6 6 0 peak 5500 volume 250568096 hpm1 32.377 ppm1 3.019 ppm2 7.362
!# peak 5501-----------------------------------------------
assi (attr store1 < 7.419 and attr store1 > 7.299)
    ((attr store1 < 2.459 and attr store1 > 2.399)
     and bondedto (attr store1 < 32.978 and attr store1 > 31.778))
6 6 0 peak 5501 volume 181402512 hpm1 32.378 ppm1 2.429 ppm2 7.359
!# peak 5502-----------------------------------------------
assi (attr store1 < 7.295 and attr store1 > 7.175)
    ((attr store1 < 1.806 and attr store1 > 1.746)
     and bondedto (attr store1 < 32.984 and attr store1 > 31.784))
6 6 0 peak 5502 volume 13513599 hpm1 32.384 ppm1 1.776 ppm2 7.235
!# peak 5503-----------------------------------------------
assi (attr store1 < 6.842 and attr store1 > 6.722)
    ((attr store1 < 1.753 and attr store1 > 1.693)
     and bondedto (attr store1 < 32.999 and attr store1 > 31.799))
6 6 0 peak 5503 volume 482528384 hpm1 32.399 ppm1 1.723 ppm2 6.782
!# peak 5505-----------------------------------------------
assi (attr store1 < 4.574 and attr store1 > 4.454)
    ((attr store1 < 2.603 and attr store1 > 2.543)
     and bondedto (attr store1 < 32.984 and attr store1 > 31.784))
6 6 0 peak 5505 volume 412209376 hpm1 32.384 ppm1 2.573 ppm2 4.514
!# peak 5507-----------------------------------------------
assi (attr store1 < 4.518 and attr store1 > 4.398)
    ((attr store1 < 2.458 and attr store1 > 2.398)
     and bondedto (attr store1 < 32.983 and attr store1 > 31.783))
6 6 0 peak 5507 volume 153768192 hpm1 32.383 ppm1 2.428 ppm2 4.458
!# peak 5508-----------------------------------------------
assi (attr store1 < 4.457 and attr store1 > 4.337)
    ((attr store1 < 1.873 and attr store1 > 1.813)
     and bondedto (attr store1 < 33.004 and attr store1 > 31.804))
6 6 0 peak 5508 volume 47123040 hpm1 32.404 ppm1 1.843 ppm2 4.397
!# peak 5511-----------------------------------------------
assi (attr store1 < 4.347 and attr store1 > 4.227)
    ((attr store1 < 1.711 and attr store1 > 1.651)
     and bondedto (attr store1 < 32.937 and attr store1 > 31.737))
6 6 0 peak 5511 volume 96132192 hpm1 32.337 ppm1 1.681 ppm2 4.287
!# peak 5515-----------------------------------------------
assi (attr store1 < 3.556 and attr store1 > 3.436)
    ((attr store1 < 1.740 and attr store1 > 1.680)
     and bondedto (attr store1 < 32.986 and attr store1 > 31.786))
6 6 0 peak 5515 volume 60137184 hpm1 32.386 ppm1 1.710 ppm2 3.496
!# peak 5518-----------------------------------------------
assi (attr store1 < 3.102 and attr store1 > 2.982)
    ((attr store1 < 2.463 and attr store1 > 2.403)
     and bondedto (attr store1 < 32.976 and attr store1 > 31.776))
6 6 0 peak 5518 volume 1073933952 hpm1 32.376 ppm1 2.433 ppm2 3.042
!# peak 5521-----------------------------------------------
assi (attr store1 < 2.738 and attr store1 > 2.618)
    ((attr store1 < 3.050 and attr store1 > 2.990)
     and bondedto (attr store1 < 32.975 and attr store1 > 31.775))
6 6 0 peak 5521 volume 188683088 hpm1 32.375 ppm1 3.020 ppm2 2.678
!# peak 5524-----------------------------------------------
assi (attr store1 < 2.605 and attr store1 > 2.485)
    ((attr store1 < 2.034 and attr store1 > 1.974)
     and bondedto (attr store1 < 32.986 and attr store1 > 31.786))
6 6 0 peak 5524 volume 187643008 hpm1 32.386 ppm1 2.004 ppm2 2.545
!# peak 5526-----------------------------------------------
assi (attr store1 < 2.510 and attr store1 > 2.390)
    ((attr store1 < 3.049 and attr store1 > 2.989)
     and bondedto (attr store1 < 32.976 and attr store1 > 31.776))
6 6 0 peak 5526 volume 1305239936 hpm1 32.376 ppm1 3.019 ppm2 2.450
!# peak 5527-----------------------------------------------
assi (attr store1 < 2.236 and attr store1 > 2.116)
    ((attr store1 < 2.643 and attr store1 > 2.583)
     and bondedto (attr store1 < 32.958 and attr store1 > 31.758))
6 6 0 peak 5527 volume 156152608 hpm1 32.358 ppm1 2.613 ppm2 2.176
!# peak 5528-----------------------------------------------
assi (attr store1 < 2.110 and attr store1 > 1.990)
    ((attr store1 < 3.035 and attr store1 > 2.975)
     and bondedto (attr store1 < 32.971 and attr store1 > 31.771))
6 6 0 peak 5528 volume 603909056 hpm1 32.371 ppm1 3.005 ppm2 2.050
!# peak 5531-----------------------------------------------
assi (attr store1 < 1.506 and attr store1 > 1.386)
    ((attr store1 < 2.601 and attr store1 > 2.541)
     and bondedto (attr store1 < 32.982 and attr store1 > 31.782))
6 6 0 peak 5531 volume 957312576 hpm1 32.382 ppm1 2.571 ppm2 1.446
!# peak 5532-----------------------------------------------
assi (attr store1 < 1.467 and attr store1 > 1.347)
    ((attr store1 < 1.754 and attr store1 > 1.694)
     and bondedto (attr store1 < 32.999 and attr store1 > 31.799))
6 6 0 peak 5532 volume 1117345024 hpm1 32.399 ppm1 1.724 ppm2 1.407
!# peak 5533-----------------------------------------------
assi (attr store1 < 1.421 and attr store1 > 1.301)
    ((attr store1 < 3.050 and attr store1 > 2.990)
     and bondedto (attr store1 < 32.975 and attr store1 > 31.775))
6 6 0 peak 5533 volume 128321800 hpm1 32.375 ppm1 3.020 ppm2 1.361
!# peak 5534-----------------------------------------------
assi (attr store1 < 1.428 and attr store1 > 1.308)
    ((attr store1 < 2.462 and attr store1 > 2.402)
     and bondedto (attr store1 < 32.970 and attr store1 > 31.770))
6 6 0 peak 5534 volume 669911360 hpm1 32.370 ppm1 2.432 ppm2 1.368
!# peak 5535-----------------------------------------------
assi (attr store1 < 1.346 and attr store1 > 1.226)
    ((attr store1 < 2.600 and attr store1 > 2.540)
     and bondedto (attr store1 < 32.980 and attr store1 > 31.780))
6 6 0 peak 5535 volume 677185152 hpm1 32.380 ppm1 2.570 ppm2 1.286
!# peak 5536-----------------------------------------------
assi (attr store1 < 1.055 and attr store1 > 0.935)
    ((attr store1 < 2.488 and attr store1 > 2.428)
     and bondedto (attr store1 < 32.960 and attr store1 > 31.760))
6 6 0 peak 5536 volume 133307504 hpm1 32.360 ppm1 2.458 ppm2 0.995
!# peak 5537-----------------------------------------------
assi (attr store1 < 1.051 and attr store1 > 0.931)
    ((attr store1 < 1.757 and attr store1 > 1.697)
     and bondedto (attr store1 < 32.996 and attr store1 > 31.796))
6 6 0 peak 5537 volume 617456704 hpm1 32.396 ppm1 1.727 ppm2 0.991
!# peak 5538-----------------------------------------------
assi (attr store1 < 0.841 and attr store1 > 0.721)
    ((attr store1 < 2.486 and attr store1 > 2.426)
     and bondedto (attr store1 < 32.968 and attr store1 > 31.768))
6 6 0 peak 5538 volume 99964736 hpm1 32.368 ppm1 2.456 ppm2 0.781
!# peak 5542-----------------------------------------------
assi (attr store1 < 10.299 and attr store1 > 10.179)
    ((attr store1 < 1.806 and attr store1 > 1.746)
     and bondedto (attr store1 < 32.813 and attr store1 > 31.613))
6 6 0 peak 5542 volume 13248560 hpm1 32.213 ppm1 1.776 ppm2 10.239
!# peak 5547-----------------------------------------------
assi (attr store1 < 8.388 and attr store1 > 8.268)
    ((attr store1 < 2.207 and attr store1 > 2.147)
     and bondedto (attr store1 < 32.889 and attr store1 > 31.689))
6 6 0 peak 5547 volume 13022789 hpm1 32.289 ppm1 2.177 ppm2 8.328
!# peak 5548-----------------------------------------------
assi (attr store1 < 8.385 and attr store1 > 8.265)
    ((attr store1 < 1.983 and attr store1 > 1.923)
     and bondedto (attr store1 < 32.810 and attr store1 > 31.610))
6 6 0 peak 5548 volume 2552174 hpm1 32.210 ppm1 1.953 ppm2 8.325
!# peak 5559-----------------------------------------------
assi (attr store1 < 6.427 and attr store1 > 6.307)
    ((attr store1 < 2.485 and attr store1 > 2.425)
     and bondedto (attr store1 < 32.820 and attr store1 > 31.620))
6 6 0 peak 5559 volume 127449304 hpm1 32.220 ppm1 2.455 ppm2 6.367
!# peak 5560-----------------------------------------------
assi (attr store1 < 6.427 and attr store1 > 6.307)
    ((attr store1 < 1.807 and attr store1 > 1.747)
     and bondedto (attr store1 < 32.814 and attr store1 > 31.614))
6 6 0 peak 5560 volume 129131496 hpm1 32.214 ppm1 1.777 ppm2 6.367
!# peak 5562-----------------------------------------------
assi (attr store1 < 4.576 and attr store1 > 4.456)
    ((attr store1 < 1.983 and attr store1 > 1.923)
     and bondedto (attr store1 < 32.811 and attr store1 > 31.611))
6 6 0 peak 5562 volume 444718080 hpm1 32.211 ppm1 1.953 ppm2 4.516
!# peak 5598-----------------------------------------------
assi (attr store1 < 2.934 and attr store1 > 2.814)
    ((attr store1 < 1.808 and attr store1 > 1.748)
     and bondedto (attr store1 < 32.815 and attr store1 > 31.615))
6 6 0 peak 5598 volume 199604608 hpm1 32.215 ppm1 1.778 ppm2 2.874
!# peak 5599-----------------------------------------------
assi (attr store1 < 2.782 and attr store1 > 2.662)
    ((attr store1 < 1.808 and attr store1 > 1.748)
     and bondedto (attr store1 < 32.816 and attr store1 > 31.616))
6 6 0 peak 5599 volume 58804260 hpm1 32.216 ppm1 1.778 ppm2 2.722
!# peak 5601-----------------------------------------------
assi (attr store1 < 2.609 and attr store1 > 2.489)
    ((attr store1 < 1.924 and attr store1 > 1.864)
     and bondedto (attr store1 < 32.810 and attr store1 > 31.610))
6 6 0 peak 5601 volume 73605504 hpm1 32.210 ppm1 1.894 ppm2 2.549
!# peak 5603-----------------------------------------------
assi (attr store1 < 2.526 and attr store1 > 2.406)
    ((attr store1 < 1.807 and attr store1 > 1.747)
     and bondedto (attr store1 < 32.820 and attr store1 > 31.620))
6 6 0 peak 5603 volume 375832096 hpm1 32.220 ppm1 1.777 ppm2 2.466
!# peak 5606-----------------------------------------------
assi (attr store1 < 2.250 and attr store1 > 2.130)
    ((attr store1 < 1.981 and attr store1 > 1.921)
     and bondedto (attr store1 < 32.810 and attr store1 > 31.610))
6 6 0 peak 5606 volume 0.2214459e+10 hpm1 32.210 ppm1 1.951 ppm2 2.190
!# peak 5607-----------------------------------------------
assi (attr store1 < 2.018 and attr store1 > 1.898)
    ((attr store1 < 2.213 and attr store1 > 2.153)
     and bondedto (attr store1 < 32.778 and attr store1 > 31.578))
6 6 0 peak 5607 volume 0.1263527e+11 hpm1 32.178 ppm1 2.183 ppm2 1.958
!# peak 5614-----------------------------------------------
assi (attr store1 < 1.879 and attr store1 > 1.759)
    ((attr store1 < 2.488 and attr store1 > 2.428)
     and bondedto (attr store1 < 32.818 and attr store1 > 31.618))
6 6 0 peak 5614 volume 1711129984 hpm1 32.218 ppm1 2.458 ppm2 1.819
!# peak 5625-----------------------------------------------
assi (attr store1 < 9.252 and attr store1 > 9.132)
    ((attr store1 < 1.895 and attr store1 > 1.835)
     and bondedto (attr store1 < 32.582 and attr store1 > 31.382))
6 6 0 peak 5625 volume 15870149 hpm1 31.982 ppm1 1.865 ppm2 9.192
!# peak 5631-----------------------------------------------
assi (attr store1 < 8.074 and attr store1 > 7.954)
    ((attr store1 < 1.987 and attr store1 > 1.927)
     and bondedto (attr store1 < 32.615 and attr store1 > 31.415))
6 6 0 peak 5631 volume 807481984 hpm1 32.015 ppm1 1.957 ppm2 8.014
!# peak 5641-----------------------------------------------
assi (attr store1 < 3.831 and attr store1 > 3.711)
    ((attr store1 < 2.233 and attr store1 > 2.173)
     and bondedto (attr store1 < 32.628 and attr store1 > 31.428))
6 6 0 peak 5641 volume 203640992 hpm1 32.028 ppm1 2.203 ppm2 3.771
!# peak 5645-----------------------------------------------
assi (attr store1 < 2.562 and attr store1 > 2.442)
    ((attr store1 < 2.121 and attr store1 > 2.061)
     and bondedto (attr store1 < 32.602 and attr store1 > 31.402))
6 6 0 peak 5645 volume 217070592 hpm1 32.002 ppm1 2.091 ppm2 2.502
!# peak 5647-----------------------------------------------
assi (attr store1 < 2.284 and attr store1 > 2.164)
    ((attr store1 < 1.894 and attr store1 > 1.834)
     and bondedto (attr store1 < 32.635 and attr store1 > 31.435))
6 6 0 peak 5647 volume 1733949056 hpm1 32.035 ppm1 1.864 ppm2 2.224
!# peak 5657-----------------------------------------------
assi (attr store1 < 1.054 and attr store1 > 0.934)
    ((attr store1 < 1.987 and attr store1 > 1.927)
     and bondedto (attr store1 < 32.615 and attr store1 > 31.415))
6 6 0 peak 5657 volume 573965056 hpm1 32.015 ppm1 1.957 ppm2 0.994
!# peak 5660-----------------------------------------------
assi (attr store1 < 0.868 and attr store1 > 0.748)
    ((attr store1 < 1.987 and attr store1 > 1.927)
     and bondedto (attr store1 < 32.615 and attr store1 > 31.415))
6 6 0 peak 5660 volume 1038407040 hpm1 32.015 ppm1 1.957 ppm2 0.808
!# peak 5662-----------------------------------------------
assi (attr store1 < 0.835 and attr store1 > 0.715)
    ((attr store1 < 1.896 and attr store1 > 1.836)
     and bondedto (attr store1 < 32.590 and attr store1 > 31.390))
6 6 0 peak 5662 volume 708582528 hpm1 31.990 ppm1 1.866 ppm2 0.775
!# peak 5663-----------------------------------------------
assi (attr store1 < 0.700 and attr store1 > 0.580)
    ((attr store1 < 1.987 and attr store1 > 1.927)
     and bondedto (attr store1 < 32.614 and attr store1 > 31.414))
6 6 0 peak 5663 volume 835478016 hpm1 32.014 ppm1 1.957 ppm2 0.640
!# peak 5675-----------------------------------------------
assi (attr store1 < 8.147 and attr store1 > 8.027)
    ((attr store1 < 1.894 and attr store1 > 1.834)
     and bondedto (attr store1 < 32.454 and attr store1 > 31.254))
6 6 0 peak 5675 volume 83281304 hpm1 31.854 ppm1 1.864 ppm2 8.087
!# peak 5676-----------------------------------------------
assi (attr store1 < 7.892 and attr store1 > 7.772)
    ((attr store1 < 1.965 and attr store1 > 1.905)
     and bondedto (attr store1 < 32.414 and attr store1 > 31.214))
6 6 0 peak 5676 volume 832775424 hpm1 31.814 ppm1 1.935 ppm2 7.832
!# peak 5677-----------------------------------------------
assi (attr store1 < 7.892 and attr store1 > 7.772)
    ((attr store1 < 1.894 and attr store1 > 1.834)
     and bondedto (attr store1 < 32.410 and attr store1 > 31.210))
6 6 0 peak 5677 volume 422545920 hpm1 31.810 ppm1 1.864 ppm2 7.832
!# peak 5687-----------------------------------------------
assi (attr store1 < 3.888 and attr store1 > 3.768)
    ((attr store1 < 1.894 and attr store1 > 1.834)
     and bondedto (attr store1 < 32.428 and attr store1 > 31.228))
6 6 0 peak 5687 volume 367606624 hpm1 31.828 ppm1 1.864 ppm2 3.828
!# peak 5691-----------------------------------------------
assi (attr store1 < 3.062 and attr store1 > 2.942)
    ((attr store1 < 1.896 and attr store1 > 1.836)
     and bondedto (attr store1 < 32.403 and attr store1 > 31.203))
6 6 0 peak 5691 volume 99833296 hpm1 31.803 ppm1 1.866 ppm2 3.002
!# peak 5698-----------------------------------------------
assi (attr store1 < 1.513 and attr store1 > 1.393)
    ((attr store1 < 1.896 and attr store1 > 1.836)
     and bondedto (attr store1 < 32.516 and attr store1 > 31.316))
6 6 0 peak 5698 volume 1438153984 hpm1 31.916 ppm1 1.866 ppm2 1.453
!# peak 5699-----------------------------------------------
assi (attr store1 < 1.195 and attr store1 > 1.075)
    ((attr store1 < 1.892 and attr store1 > 1.832)
     and bondedto (attr store1 < 32.441 and attr store1 > 31.241))
6 6 0 peak 5699 volume 79579312 hpm1 31.841 ppm1 1.862 ppm2 1.135
!# peak 5700-----------------------------------------------
assi (attr store1 < 8.559 and attr store1 > 8.439)
    ((attr store1 < 2.145 and attr store1 > 2.085)
     and bondedto (attr store1 < 32.235 and attr store1 > 31.035))
6 6 0 peak 5700 volume 340579392 hpm1 31.635 ppm1 2.115 ppm2 8.499
!# peak 5706-----------------------------------------------
assi (attr store1 < 7.935 and attr store1 > 7.815)
    ((attr store1 < 2.145 and attr store1 > 2.085)
     and bondedto (attr store1 < 32.241 and attr store1 > 31.041))
6 6 0 peak 5706 volume 75043616 hpm1 31.641 ppm1 2.115 ppm2 7.875
!# peak 5708-----------------------------------------------
assi (attr store1 < 7.571 and attr store1 > 7.451)
    ((attr store1 < 5.581 and attr store1 > 5.521)
     and bondedto (attr store1 < 32.225 and attr store1 > 31.025))
6 6 0 peak 5708 volume 109548304 hpm1 31.625 ppm1 5.551 ppm2 7.511
!# peak 5710-----------------------------------------------
assi (attr store1 < 6.841 and attr store1 > 6.721)
    ((attr store1 < 2.146 and attr store1 > 2.086)
     and bondedto (attr store1 < 32.234 and attr store1 > 31.034))
6 6 0 peak 5710 volume 135241104 hpm1 31.634 ppm1 2.116 ppm2 6.781
!# peak 5712-----------------------------------------------
assi (attr store1 < 6.427 and attr store1 > 6.307)
    ((attr store1 < 5.581 and attr store1 > 5.521)
     and bondedto (attr store1 < 32.224 and attr store1 > 31.024))
6 6 0 peak 5712 volume 232379504 hpm1 31.624 ppm1 5.551 ppm2 6.367
!# peak 5768-----------------------------------------------
assi (attr store1 < 5.156 and attr store1 > 5.036)
    ((attr store1 < 5.580 and attr store1 > 5.520)
     and bondedto (attr store1 < 32.225 and attr store1 > 31.025))
6 6 0 peak 5768 volume 39126180 hpm1 31.625 ppm1 5.550 ppm2 5.096
!# peak 5804-----------------------------------------------
assi (attr store1 < 4.160 and attr store1 > 4.040)
    ((attr store1 < 5.581 and attr store1 > 5.521)
     and bondedto (attr store1 < 32.212 and attr store1 > 31.012))
6 6 0 peak 5804 volume 33274918 hpm1 31.612 ppm1 5.551 ppm2 4.100
!# peak 5807-----------------------------------------------
assi (attr store1 < 3.651 and attr store1 > 3.531)
    ((attr store1 < 5.582 and attr store1 > 5.522)
     and bondedto (attr store1 < 32.221 and attr store1 > 31.021))
6 6 0 peak 5807 volume 157904800 hpm1 31.621 ppm1 5.552 ppm2 3.591
!# peak 5808-----------------------------------------------
assi (attr store1 < 3.431 and attr store1 > 3.311)
    ((attr store1 < 5.581 and attr store1 > 5.521)
     and bondedto (attr store1 < 32.219 and attr store1 > 31.019))
6 6 0 peak 5808 volume 221987200 hpm1 31.619 ppm1 5.551 ppm2 3.371
!# peak 5809-----------------------------------------------
assi (attr store1 < 3.436 and attr store1 > 3.316)
    ((attr store1 < 2.145 and attr store1 > 2.085)
     and bondedto (attr store1 < 32.233 and attr store1 > 31.033))
6 6 0 peak 5809 volume 332003424 hpm1 31.633 ppm1 2.115 ppm2 3.376
!# peak 5810-----------------------------------------------
assi (attr store1 < 2.924 and attr store1 > 2.804)
    ((attr store1 < 5.597 and attr store1 > 5.537)
     and bondedto (attr store1 < 32.233 and attr store1 > 31.033))
6 6 0 peak 5810 volume 16130170 hpm1 31.633 ppm1 5.567 ppm2 2.864
!# peak 5811-----------------------------------------------
assi (attr store1 < 2.780 and attr store1 > 2.660)
    ((attr store1 < 5.581 and attr store1 > 5.521)
     and bondedto (attr store1 < 32.215 and attr store1 > 31.015))
6 6 0 peak 5811 volume 60775636 hpm1 31.615 ppm1 5.551 ppm2 2.720
!# peak 5813-----------------------------------------------
assi (attr store1 < 2.248 and attr store1 > 2.128)
    ((attr store1 < 5.581 and attr store1 > 5.521)
     and bondedto (attr store1 < 32.216 and attr store1 > 31.016))
6 6 0 peak 5813 volume 61702312 hpm1 31.616 ppm1 5.551 ppm2 2.188
!# peak 5815-----------------------------------------------
assi (attr store1 < 1.877 and attr store1 > 1.757)
    ((attr store1 < 5.583 and attr store1 > 5.523)
     and bondedto (attr store1 < 32.220 and attr store1 > 31.020))
6 6 0 peak 5815 volume 83728368 hpm1 31.620 ppm1 5.553 ppm2 1.817
!# peak 5817-----------------------------------------------
assi (attr store1 < 1.423 and attr store1 > 1.303)
    ((attr store1 < 2.144 and attr store1 > 2.084)
     and bondedto (attr store1 < 32.227 and attr store1 > 31.027))
6 6 0 peak 5817 volume 125407608 hpm1 31.627 ppm1 2.114 ppm2 1.363
!# peak 5819-----------------------------------------------
assi (attr store1 < 1.053 and attr store1 > 0.933)
    ((attr store1 < 2.145 and attr store1 > 2.085)
     and bondedto (attr store1 < 32.233 and attr store1 > 31.033))
6 6 0 peak 5819 volume 1708612992 hpm1 31.633 ppm1 2.115 ppm2 0.993
!# peak 5820-----------------------------------------------
assi (attr store1 < 0.697 and attr store1 > 0.577)
    ((attr store1 < 2.144 and attr store1 > 2.084)
     and bondedto (attr store1 < 32.242 and attr store1 > 31.042))
6 6 0 peak 5820 volume 245002192 hpm1 31.642 ppm1 2.114 ppm2 0.637
!# peak 5823-----------------------------------------------
assi (attr store1 < -0.167 and attr store1 > -0.287)
    ((attr store1 < 5.581 and attr store1 > 5.521)
     and bondedto (attr store1 < 32.222 and attr store1 > 31.022))
6 6 0 peak 5823 volume 262029408 hpm1 31.622 ppm1 5.551 ppm2 -0.227
!# peak 5825-----------------------------------------------
assi (attr store1 < 8.292 and attr store1 > 8.172)
    ((attr store1 < 3.670 and attr store1 > 3.610)
     and bondedto (attr store1 < 32.053 and attr store1 > 30.853))
6 6 0 peak 5825 volume 201041296 hpm1 31.453 ppm1 3.640 ppm2 8.232
!# peak 5846-----------------------------------------------
assi (attr store1 < 3.097 and attr store1 > 2.977)
    ((attr store1 < 3.670 and attr store1 > 3.610)
     and bondedto (attr store1 < 32.056 and attr store1 > 30.856))
6 6 0 peak 5846 volume 67348392 hpm1 31.456 ppm1 3.640 ppm2 3.037
!# peak 5851-----------------------------------------------
assi (attr store1 < 1.700 and attr store1 > 1.580)
    ((attr store1 < 3.670 and attr store1 > 3.610)
     and bondedto (attr store1 < 32.051 and attr store1 > 30.851))
6 6 0 peak 5851 volume 164161200 hpm1 31.451 ppm1 3.640 ppm2 1.640
!# peak 5853-----------------------------------------------
assi (attr store1 < 1.514 and attr store1 > 1.394)
    ((attr store1 < 3.670 and attr store1 > 3.610)
     and bondedto (attr store1 < 32.050 and attr store1 > 30.850))
6 6 0 peak 5853 volume 666527680 hpm1 31.450 ppm1 3.640 ppm2 1.454
!# peak 5854-----------------------------------------------
assi (attr store1 < 1.477 and attr store1 > 1.357)
    ((attr store1 < 5.583 and attr store1 > 5.523)
     and bondedto (attr store1 < 32.083 and attr store1 > 30.883))
6 6 0 peak 5854 volume 38863032 hpm1 31.483 ppm1 5.553 ppm2 1.417
!# peak 5855-----------------------------------------------
assi (attr store1 < 1.338 and attr store1 > 1.218)
    ((attr store1 < 3.670 and attr store1 > 3.610)
     and bondedto (attr store1 < 32.050 and attr store1 > 30.850))
6 6 0 peak 5855 volume 321912576 hpm1 31.450 ppm1 3.640 ppm2 1.278
!# peak 5858-----------------------------------------------
assi (attr store1 < 0.776 and attr store1 > 0.656)
    ((attr store1 < 3.671 and attr store1 > 3.611)
     and bondedto (attr store1 < 32.047 and attr store1 > 30.847))
6 6 0 peak 5858 volume 117285400 hpm1 31.447 ppm1 3.641 ppm2 0.716
!# peak 5859-----------------------------------------------
assi (attr store1 < 8.159 and attr store1 > 8.039)
    ((attr store1 < 2.210 and attr store1 > 2.150)
     and bondedto (attr store1 < 55.259 and attr store1 > 54.059))
6 6 0 peak 5859 volume 25291372 hpm1 54.659 ppm1 2.180 ppm2 8.099
!# peak 5862-----------------------------------------------
assi (attr store1 < 7.573 and attr store1 > 7.453)
    ((attr store1 < 2.208 and attr store1 > 2.148)
     and bondedto (attr store1 < 55.260 and attr store1 > 54.060))
6 6 0 peak 5862 volume 100606096 hpm1 54.660 ppm1 2.178 ppm2 7.513
!# peak 5864-----------------------------------------------
assi (attr store1 < 6.982 and attr store1 > 6.862)
    ((attr store1 < 2.209 and attr store1 > 2.149)
     and bondedto (attr store1 < 55.263 and attr store1 > 54.063))
6 6 0 peak 5864 volume 25798780 hpm1 54.663 ppm1 2.179 ppm2 6.922
!# peak 5865-----------------------------------------------
assi (attr store1 < 9.122 and attr store1 > 9.002)
    ((attr store1 < 2.876 and attr store1 > 2.816)
     and bondedto (attr store1 < 55.290 and attr store1 > 54.090))
6 6 0 peak 5865 volume 67106212 hpm1 54.690 ppm1 2.846 ppm2 9.062
!# peak 5866-----------------------------------------------
assi (attr store1 < 8.739 and attr store1 > 8.619)
    ((attr store1 < 3.597 and attr store1 > 3.537)
     and bondedto (attr store1 < 55.257 and attr store1 > 54.057))
6 6 0 peak 5866 volume 47016240 hpm1 54.657 ppm1 3.567 ppm2 8.679
!# peak 5867-----------------------------------------------
assi (attr store1 < 8.744 and attr store1 > 8.624)
    ((attr store1 < 3.370 and attr store1 > 3.310)
     and bondedto (attr store1 < 55.262 and attr store1 > 54.062))
6 6 0 peak 5867 volume 84240480 hpm1 54.662 ppm1 3.340 ppm2 8.684
!# peak 5868-----------------------------------------------
assi (attr store1 < 8.578 and attr store1 > 8.458)
    ((attr store1 < 3.668 and attr store1 > 3.608)
     and bondedto (attr store1 < 55.294 and attr store1 > 54.094))
6 6 0 peak 5868 volume 40978080 hpm1 54.694 ppm1 3.638 ppm2 8.518
!# peak 5869-----------------------------------------------
assi (attr store1 < 8.574 and attr store1 > 8.454)
    ((attr store1 < 3.417 and attr store1 > 3.357)
     and bondedto (attr store1 < 55.297 and attr store1 > 54.097))
6 6 0 peak 5869 volume 47084652 hpm1 54.697 ppm1 3.387 ppm2 8.514
!# peak 5870-----------------------------------------------
assi (attr store1 < 8.550 and attr store1 > 8.430)
    ((attr store1 < 2.890 and attr store1 > 2.830)
     and bondedto (attr store1 < 55.290 and attr store1 > 54.090))
6 6 0 peak 5870 volume 32632250 hpm1 54.690 ppm1 2.860 ppm2 8.490
!# peak 5871-----------------------------------------------
assi (attr store1 < 8.372 and attr store1 > 8.252)
    ((attr store1 < 2.876 and attr store1 > 2.816)
     and bondedto (attr store1 < 55.287 and attr store1 > 54.087))
6 6 0 peak 5871 volume 86069120 hpm1 54.687 ppm1 2.846 ppm2 8.312
!# peak 5872-----------------------------------------------
assi (attr store1 < 8.106 and attr store1 > 7.986)
    ((attr store1 < 3.668 and attr store1 > 3.608)
     and bondedto (attr store1 < 55.297 and attr store1 > 54.097))
6 6 0 peak 5872 volume 45238768 hpm1 54.697 ppm1 3.638 ppm2 8.046
!# peak 5873-----------------------------------------------
assi (attr store1 < 8.117 and attr store1 > 7.997)
    ((attr store1 < 3.418 and attr store1 > 3.358)
     and bondedto (attr store1 < 55.283 and attr store1 > 54.083))
6 6 0 peak 5873 volume 135917792 hpm1 54.683 ppm1 3.388 ppm2 8.057
!# peak 5874-----------------------------------------------
assi (attr store1 < 7.888 and attr store1 > 7.768)
    ((attr store1 < 2.875 and attr store1 > 2.815)
     and bondedto (attr store1 < 55.286 and attr store1 > 54.086))
6 6 0 peak 5874 volume 26043280 hpm1 54.686 ppm1 2.845 ppm2 7.828
!# peak 5875-----------------------------------------------
assi (attr store1 < 7.843 and attr store1 > 7.723)
    ((attr store1 < 3.668 and attr store1 > 3.608)
     and bondedto (attr store1 < 55.290 and attr store1 > 54.090))
6 6 0 peak 5875 volume 77494656 hpm1 54.690 ppm1 3.638 ppm2 7.783
!# peak 5876-----------------------------------------------
assi (attr store1 < 7.842 and attr store1 > 7.722)
    ((attr store1 < 3.417 and attr store1 > 3.357)
     and bondedto (attr store1 < 55.292 and attr store1 > 54.092))
6 6 0 peak 5876 volume 75140840 hpm1 54.692 ppm1 3.387 ppm2 7.782
!# peak 5877-----------------------------------------------
assi (attr store1 < 7.571 and attr store1 > 7.451)
    ((attr store1 < 3.599 and attr store1 > 3.539)
     and bondedto (attr store1 < 55.258 and attr store1 > 54.058))
6 6 0 peak 5877 volume 102178096 hpm1 54.658 ppm1 3.569 ppm2 7.511
!# peak 5878-----------------------------------------------
assi (attr store1 < 7.571 and attr store1 > 7.451)
    ((attr store1 < 3.373 and attr store1 > 3.313)
     and bondedto (attr store1 < 55.260 and attr store1 > 54.060))
6 6 0 peak 5878 volume 248425312 hpm1 54.660 ppm1 3.343 ppm2 7.511
!# peak 5879-----------------------------------------------
assi (attr store1 < 7.339 and attr store1 > 7.219)
    ((attr store1 < 2.876 and attr store1 > 2.816)
     and bondedto (attr store1 < 55.288 and attr store1 > 54.088))
6 6 0 peak 5879 volume 93910704 hpm1 54.688 ppm1 2.846 ppm2 7.279
!# peak 5880-----------------------------------------------
assi (attr store1 < 7.212 and attr store1 > 7.092)
    ((attr store1 < 3.665 and attr store1 > 3.605)
     and bondedto (attr store1 < 55.279 and attr store1 > 54.079))
6 6 0 peak 5880 volume 32597300 hpm1 54.679 ppm1 3.635 ppm2 7.152
!# peak 5881-----------------------------------------------
assi (attr store1 < 7.222 and attr store1 > 7.102)
    ((attr store1 < 3.603 and attr store1 > 3.543)
     and bondedto (attr store1 < 54.937 and attr store1 > 53.737))
6 6 0 peak 5881 volume 48788448 hpm1 54.337 ppm1 3.573 ppm2 7.162
!# peak 5882-----------------------------------------------
assi (attr store1 < 7.211 and attr store1 > 7.091)
    ((attr store1 < 3.373 and attr store1 > 3.313)
     and bondedto (attr store1 < 55.266 and attr store1 > 54.066))
6 6 0 peak 5882 volume 70439592 hpm1 54.666 ppm1 3.343 ppm2 7.151
!# peak 5883-----------------------------------------------
assi (attr store1 < 6.929 and attr store1 > 6.809)
    ((attr store1 < 2.890 and attr store1 > 2.830)
     and bondedto (attr store1 < 55.291 and attr store1 > 54.091))
6 6 0 peak 5883 volume 64187240 hpm1 54.691 ppm1 2.860 ppm2 6.869
!# peak 5884-----------------------------------------------
assi (attr store1 < 6.602 and attr store1 > 6.482)
    ((attr store1 < 3.418 and attr store1 > 3.358)
     and bondedto (attr store1 < 55.288 and attr store1 > 54.088))
6 6 0 peak 5884 volume 21682640 hpm1 54.688 ppm1 3.388 ppm2 6.542
!# peak 5885-----------------------------------------------
assi (attr store1 < 6.608 and attr store1 > 6.488)
    ((attr store1 < 2.890 and attr store1 > 2.830)
     and bondedto (attr store1 < 55.290 and attr store1 > 54.090))
6 6 0 peak 5885 volume 45525472 hpm1 54.690 ppm1 2.860 ppm2 6.548
!# peak 5886-----------------------------------------------
assi (attr store1 < 5.643 and attr store1 > 5.523)
    ((attr store1 < 3.598 and attr store1 > 3.538)
     and bondedto (attr store1 < 55.255 and attr store1 > 54.055))
6 6 0 peak 5886 volume 81785456 hpm1 54.655 ppm1 3.568 ppm2 5.583
!# peak 5887-----------------------------------------------
assi (attr store1 < 5.621 and attr store1 > 5.501)
    ((attr store1 < 3.373 and attr store1 > 3.313)
     and bondedto (attr store1 < 55.261 and attr store1 > 54.061))
6 6 0 peak 5887 volume 106249600 hpm1 54.661 ppm1 3.343 ppm2 5.561
!# peak 5889-----------------------------------------------
assi (attr store1 < 5.643 and attr store1 > 5.523)
    ((attr store1 < 3.598 and attr store1 > 3.538)
     and bondedto (attr store1 < 55.255 and attr store1 > 54.055))
6 6 0 peak 5889 volume 81785456 hpm1 54.655 ppm1 3.568 ppm2 5.583
!# peak 5890-----------------------------------------------
assi (attr store1 < 5.643 and attr store1 > 5.523)
    ((attr store1 < 2.208 and attr store1 > 2.148)
     and bondedto (attr store1 < 55.258 and attr store1 > 54.058))
6 6 0 peak 5890 volume 27307970 hpm1 54.658 ppm1 2.178 ppm2 5.583
!# peak 5891-----------------------------------------------
assi (attr store1 < 5.621 and attr store1 > 5.501)
    ((attr store1 < 3.373 and attr store1 > 3.313)
     and bondedto (attr store1 < 55.261 and attr store1 > 54.061))
6 6 0 peak 5891 volume 106249600 hpm1 54.661 ppm1 3.343 ppm2 5.561
!# peak 5899-----------------------------------------------
assi (attr store1 < 4.779 and attr store1 > 4.659)
    ((attr store1 < 3.416 and attr store1 > 3.356)
     and bondedto (attr store1 < 55.270 and attr store1 > 54.070))
6 6 0 peak 5899 volume 120305000 hpm1 54.670 ppm1 3.386 ppm2 4.719
!# peak 5985-----------------------------------------------
assi (attr store1 < 4.155 and attr store1 > 4.035)
    ((attr store1 < 3.417 and attr store1 > 3.357)
     and bondedto (attr store1 < 55.266 and attr store1 > 54.066))
6 6 0 peak 5985 volume 205450512 hpm1 54.666 ppm1 3.387 ppm2 4.095
!# peak 5988-----------------------------------------------
assi (attr store1 < 4.106 and attr store1 > 3.986)
    ((attr store1 < 3.668 and attr store1 > 3.608)
     and bondedto (attr store1 < 55.282 and attr store1 > 54.082))
6 6 0 peak 5988 volume 86354264 hpm1 54.682 ppm1 3.638 ppm2 4.046
!# peak 6004-----------------------------------------------
assi (attr store1 < 3.698 and attr store1 > 3.578)
    ((attr store1 < 3.415 and attr store1 > 3.355)
     and bondedto (attr store1 < 55.282 and attr store1 > 54.082))
6 6 0 peak 6004 volume 1094226048 hpm1 54.682 ppm1 3.385 ppm2 3.638
!# peak 6013-----------------------------------------------
assi (attr store1 < 3.469 and attr store1 > 3.349)
    ((attr store1 < 3.667 and attr store1 > 3.607)
     and bondedto (attr store1 < 55.289 and attr store1 > 54.089))
6 6 0 peak 6013 volume 789985152 hpm1 54.689 ppm1 3.637 ppm2 3.409
!# peak 6016-----------------------------------------------
assi (attr store1 < 3.426 and attr store1 > 3.306)
    ((attr store1 < 3.599 and attr store1 > 3.539)
     and bondedto (attr store1 < 55.263 and attr store1 > 54.063))
6 6 0 peak 6016 volume 1145065984 hpm1 54.663 ppm1 3.569 ppm2 3.366
!# peak 6018-----------------------------------------------
assi (attr store1 < 3.662 and attr store1 > 3.542)
    ((attr store1 < 3.364 and attr store1 > 3.304)
     and bondedto (attr store1 < 54.942 and attr store1 > 53.742))
6 6 0 peak 6018 volume 1252231040 hpm1 54.342 ppm1 3.334 ppm2 3.602
!# peak 6055-----------------------------------------------
assi (attr store1 < 2.623 and attr store1 > 2.503)
    ((attr store1 < 2.055 and attr store1 > 1.995)
     and bondedto (attr store1 < 55.299 and attr store1 > 54.099))
6 6 0 peak 6055 volume 7967940 hpm1 54.699 ppm1 2.025 ppm2 2.563
!# peak 6068-----------------------------------------------
assi (attr store1 < 2.413 and attr store1 > 2.293)
    ((attr store1 < 1.936 and attr store1 > 1.876)
     and bondedto (attr store1 < 55.273 and attr store1 > 54.073))
6 6 0 peak 6068 volume 1331476992 hpm1 54.673 ppm1 1.906 ppm2 2.353
!# peak 6072-----------------------------------------------
assi (attr store1 < 2.328 and attr store1 > 2.208)
    ((attr store1 < 2.054 and attr store1 > 1.994)
     and bondedto (attr store1 < 55.256 and attr store1 > 54.056))
6 6 0 peak 6072 volume 0.5164489e+10 hpm1 54.656 ppm1 2.024 ppm2 2.268
!# peak 6075-----------------------------------------------
assi (attr store1 < 2.246 and attr store1 > 2.126)
    ((attr store1 < 3.599 and attr store1 > 3.539)
     and bondedto (attr store1 < 55.260 and attr store1 > 54.060))
6 6 0 peak 6075 volume 201214304 hpm1 54.660 ppm1 3.569 ppm2 2.186
!# peak 6076-----------------------------------------------
assi (attr store1 < 2.249 and attr store1 > 2.129)
    ((attr store1 < 3.417 and attr store1 > 3.357)
     and bondedto (attr store1 < 55.260 and attr store1 > 54.060))
6 6 0 peak 6076 volume 697484480 hpm1 54.660 ppm1 3.387 ppm2 2.189
!# peak 6087-----------------------------------------------
assi (attr store1 < 2.062 and attr store1 > 1.942)
    ((attr store1 < 3.418 and attr store1 > 3.358)
     and bondedto (attr store1 < 55.263 and attr store1 > 54.063))
6 6 0 peak 6087 volume 506351104 hpm1 54.663 ppm1 3.388 ppm2 2.002
!# peak 6088-----------------------------------------------
assi (attr store1 < 2.060 and attr store1 > 1.940)
    ((attr store1 < 3.371 and attr store1 > 3.311)
     and bondedto (attr store1 < 55.262 and attr store1 > 54.062))
6 6 0 peak 6088 volume 188237296 hpm1 54.662 ppm1 3.341 ppm2 2.000
!# peak 6096-----------------------------------------------
assi (attr store1 < 2.094 and attr store1 > 1.974)
    ((attr store1 < 2.354 and attr store1 > 2.294)
     and bondedto (attr store1 < 54.943 and attr store1 > 53.743))
6 6 0 peak 6096 volume 702759936 hpm1 54.343 ppm1 2.324 ppm2 2.034
!# peak 6117-----------------------------------------------
assi (attr store1 < 1.786 and attr store1 > 1.666)
    ((attr store1 < 1.935 and attr store1 > 1.875)
     and bondedto (attr store1 < 55.276 and attr store1 > 54.076))
6 6 0 peak 6117 volume 0.2568541e+10 hpm1 54.676 ppm1 1.905 ppm2 1.726
!# peak 6125-----------------------------------------------
assi (attr store1 < 1.503 and attr store1 > 1.383)
    ((attr store1 < 3.597 and attr store1 > 3.537)
     and bondedto (attr store1 < 55.256 and attr store1 > 54.056))
6 6 0 peak 6125 volume 89692624 hpm1 54.656 ppm1 3.567 ppm2 1.443
!# peak 6127-----------------------------------------------
assi (attr store1 < 1.470 and attr store1 > 1.350)
    ((attr store1 < 4.118 and attr store1 > 4.058)
     and bondedto (attr store1 < 55.222 and attr store1 > 54.022))
6 6 0 peak 6127 volume 853178944 hpm1 54.622 ppm1 4.088 ppm2 1.410
!# peak 6128-----------------------------------------------
assi (attr store1 < 1.479 and attr store1 > 1.359)
    ((attr store1 < 3.373 and attr store1 > 3.313)
     and bondedto (attr store1 < 55.262 and attr store1 > 54.062))
6 6 0 peak 6128 volume 176591392 hpm1 54.662 ppm1 3.343 ppm2 1.419
!# peak 6129-----------------------------------------------
assi (attr store1 < 1.474 and attr store1 > 1.354)
    ((attr store1 < 2.210 and attr store1 > 2.150)
     and bondedto (attr store1 < 55.263 and attr store1 > 54.063))
6 6 0 peak 6129 volume 140309504 hpm1 54.663 ppm1 2.180 ppm2 1.414
!# peak 6133-----------------------------------------------
assi (attr store1 < 1.423 and attr store1 > 1.303)
    ((attr store1 < 2.891 and attr store1 > 2.831)
     and bondedto (attr store1 < 55.289 and attr store1 > 54.089))
6 6 0 peak 6133 volume 52260380 hpm1 54.689 ppm1 2.861 ppm2 1.363
!# peak 6134-----------------------------------------------
assi (attr store1 < 1.424 and attr store1 > 1.304)
    ((attr store1 < 1.937 and attr store1 > 1.877)
     and bondedto (attr store1 < 55.284 and attr store1 > 54.084))
6 6 0 peak 6134 volume 166904896 hpm1 54.684 ppm1 1.907 ppm2 1.364
!# peak 6135-----------------------------------------------
assi (attr store1 < 1.427 and attr store1 > 1.307)
    ((attr store1 < 1.731 and attr store1 > 1.671)
     and bondedto (attr store1 < 55.286 and attr store1 > 54.086))
6 6 0 peak 6135 volume 144640800 hpm1 54.686 ppm1 1.701 ppm2 1.367
!# peak 6140-----------------------------------------------
assi (attr store1 < 1.240 and attr store1 > 1.120)
    ((attr store1 < 1.935 and attr store1 > 1.875)
     and bondedto (attr store1 < 55.275 and attr store1 > 54.075))
6 6 0 peak 6140 volume 57832156 hpm1 54.675 ppm1 1.905 ppm2 1.180
!# peak 6146-----------------------------------------------
assi (attr store1 < 1.017 and attr store1 > 0.897)
    ((attr store1 < 2.890 and attr store1 > 2.830)
     and bondedto (attr store1 < 55.290 and attr store1 > 54.090))
6 6 0 peak 6146 volume 159351392 hpm1 54.690 ppm1 2.860 ppm2 0.957
!# peak 6150-----------------------------------------------
assi (attr store1 < 0.843 and attr store1 > 0.723)
    ((attr store1 < 2.876 and attr store1 > 2.816)
     and bondedto (attr store1 < 55.288 and attr store1 > 54.088))
6 6 0 peak 6150 volume 294471904 hpm1 54.688 ppm1 2.846 ppm2 0.783
!# peak 6156-----------------------------------------------
assi (attr store1 < 0.557 and attr store1 > 0.437)
    ((attr store1 < 3.601 and attr store1 > 3.541)
     and bondedto (attr store1 < 55.267 and attr store1 > 54.067))
6 6 0 peak 6156 volume 122467304 hpm1 54.667 ppm1 3.571 ppm2 0.497
!# peak 6157-----------------------------------------------
assi (attr store1 < 0.563 and attr store1 > 0.443)
    ((attr store1 < 3.417 and attr store1 > 3.357)
     and bondedto (attr store1 < 55.264 and attr store1 > 54.064))
6 6 0 peak 6157 volume 131145400 hpm1 54.664 ppm1 3.387 ppm2 0.503
!# peak 6165-----------------------------------------------
assi (attr store1 < 0.460 and attr store1 > 0.340)
    ((attr store1 < 2.876 and attr store1 > 2.816)
     and bondedto (attr store1 < 55.286 and attr store1 > 54.086))
6 6 0 peak 6165 volume 72973976 hpm1 54.686 ppm1 2.846 ppm2 0.400
!# peak 6166-----------------------------------------------
assi (attr store1 < 0.190 and attr store1 > 0.070)
    ((attr store1 < 2.876 and attr store1 > 2.816)
     and bondedto (attr store1 < 55.291 and attr store1 > 54.091))
6 6 0 peak 6166 volume 81537952 hpm1 54.691 ppm1 2.846 ppm2 0.130
!# peak 6169-----------------------------------------------
assi (attr store1 < -0.169 and attr store1 > -0.289)
    ((attr store1 < 3.599 and attr store1 > 3.539)
     and bondedto (attr store1 < 55.254 and attr store1 > 54.054))
6 6 0 peak 6169 volume 41281980 hpm1 54.654 ppm1 3.569 ppm2 -0.229
!# peak 6170-----------------------------------------------
assi (attr store1 < -0.168 and attr store1 > -0.288)
    ((attr store1 < 3.416 and attr store1 > 3.356)
     and bondedto (attr store1 < 55.261 and attr store1 > 54.061))
6 6 0 peak 6170 volume 102694600 hpm1 54.661 ppm1 3.386 ppm2 -0.228
!# peak 6177-----------------------------------------------
assi (attr store1 < 6.593 and attr store1 > 6.473)
    ((attr store1 < 3.666 and attr store1 > 3.606)
     and bondedto (attr store1 < 55.286 and attr store1 > 54.086))
6 6 0 peak 6177 volume 30350230 hpm1 54.686 ppm1 3.636 ppm2 6.533
!# peak 6181-----------------------------------------------
assi (attr store1 < 1.433 and attr store1 > 1.313)
    ((attr store1 < 0.468 and attr store1 > 0.408)
     and bondedto (attr store1 < 55.115 and attr store1 > 53.915))
6 6 0 peak 6181 volume 292938400 hpm1 54.515 ppm1 0.438 ppm2 1.373
!# peak 6182-----------------------------------------------
assi (attr store1 < 1.435 and attr store1 > 1.315)
    ((attr store1 < -0.146 and attr store1 > -0.206)
     and bondedto (attr store1 < 55.118 and attr store1 > 53.918))
6 6 0 peak 6182 volume 309610496 hpm1 54.518 ppm1 -0.176 ppm2 1.375
!# peak 6183-----------------------------------------------
assi (attr store1 < 1.284 and attr store1 > 1.164)
    ((attr store1 < 0.480 and attr store1 > 0.420)
     and bondedto (attr store1 < 55.117 and attr store1 > 53.917))
6 6 0 peak 6183 volume 265125696 hpm1 54.517 ppm1 0.450 ppm2 1.224
!# peak 6184-----------------------------------------------
assi (attr store1 < 1.286 and attr store1 > 1.166)
    ((attr store1 < -0.134 and attr store1 > -0.194)
     and bondedto (attr store1 < 55.115 and attr store1 > 53.915))
6 6 0 peak 6184 volume 257048704 hpm1 54.515 ppm1 -0.164 ppm2 1.226
!# peak 6185-----------------------------------------------
assi (attr store1 < 1.058 and attr store1 > 0.938)
    ((attr store1 < 0.480 and attr store1 > 0.420)
     and bondedto (attr store1 < 55.114 and attr store1 > 53.914))
6 6 0 peak 6185 volume 153690496 hpm1 54.514 ppm1 0.450 ppm2 0.998
!# peak 6186-----------------------------------------------
assi (attr store1 < 1.055 and attr store1 > 0.935)
    ((attr store1 < -0.146 and attr store1 > -0.206)
     and bondedto (attr store1 < 55.116 and attr store1 > 53.916))
6 6 0 peak 6186 volume 186836608 hpm1 54.516 ppm1 -0.176 ppm2 0.995
!# peak 6188-----------------------------------------------
assi (attr store1 < 0.520 and attr store1 > 0.400)
    ((attr store1 < -0.146 and attr store1 > -0.206)
     and bondedto (attr store1 < 55.116 and attr store1 > 53.916))
6 6 0 peak 6188 volume 924526784 hpm1 54.516 ppm1 -0.176 ppm2 0.460
!# peak 6190-----------------------------------------------
assi (attr store1 < -0.082 and attr store1 > -0.202)
    ((attr store1 < 0.480 and attr store1 > 0.420)
     and bondedto (attr store1 < 55.116 and attr store1 > 53.916))
6 6 0 peak 6190 volume 866850048 hpm1 54.516 ppm1 0.450 ppm2 -0.142
!# peak 6193-----------------------------------------------
assi (attr store1 < 3.844 and attr store1 > 3.724)
    ((attr store1 < 0.479 and attr store1 > 0.419)
     and bondedto (attr store1 < 55.105 and attr store1 > 53.905))
6 6 0 peak 6193 volume 42967532 hpm1 54.505 ppm1 0.449 ppm2 3.784
!# peak 6194-----------------------------------------------
assi (attr store1 < 3.843 and attr store1 > 3.723)
    ((attr store1 < -0.134 and attr store1 > -0.194)
     and bondedto (attr store1 < 55.104 and attr store1 > 53.904))
6 6 0 peak 6194 volume 50657272 hpm1 54.504 ppm1 -0.164 ppm2 3.783
!# peak 6195-----------------------------------------------
assi (attr store1 < 3.511 and attr store1 > 3.391)
    ((attr store1 < 0.481 and attr store1 > 0.421)
     and bondedto (attr store1 < 55.120 and attr store1 > 53.920))
6 6 0 peak 6195 volume 109143304 hpm1 54.520 ppm1 0.451 ppm2 3.451
!# peak 6196-----------------------------------------------
assi (attr store1 < 3.510 and attr store1 > 3.390)
    ((attr store1 < -0.146 and attr store1 > -0.206)
     and bondedto (attr store1 < 55.119 and attr store1 > 53.919))
6 6 0 peak 6196 volume 72603544 hpm1 54.519 ppm1 -0.176 ppm2 3.450
!# peak 6197-----------------------------------------------
assi (attr store1 < 4.792 and attr store1 > 4.672)
    ((attr store1 < 0.479 and attr store1 > 0.419)
     and bondedto (attr store1 < 55.111 and attr store1 > 53.911))
6 6 0 peak 6197 volume 66110744 hpm1 54.511 ppm1 0.449 ppm2 4.732
!# peak 6198-----------------------------------------------
assi (attr store1 < 4.792 and attr store1 > 4.672)
    ((attr store1 < -0.148 and attr store1 > -0.208)
     and bondedto (attr store1 < 55.114 and attr store1 > 53.914))
6 6 0 peak 6198 volume 33487142 hpm1 54.514 ppm1 -0.178 ppm2 4.732
!# peak 6202-----------------------------------------------
assi (attr store1 < 4.110 and attr store1 > 3.990)
    ((attr store1 < -0.135 and attr store1 > -0.195)
     and bondedto (attr store1 < 55.147 and attr store1 > 53.947))
6 6 0 peak 6202 volume 30534860 hpm1 54.547 ppm1 -0.165 ppm2 4.050
!# peak 6203-----------------------------------------------
assi (attr store1 < 4.064 and attr store1 > 3.944)
    ((attr store1 < 0.466 and attr store1 > 0.406)
     and bondedto (attr store1 < 55.169 and attr store1 > 53.969))
6 6 0 peak 6203 volume 24925090 hpm1 54.569 ppm1 0.436 ppm2 4.004
!# peak 6204-----------------------------------------------
assi (attr store1 < 1.867 and attr store1 > 1.747)
    ((attr store1 < 0.469 and attr store1 > 0.409)
     and bondedto (attr store1 < 55.119 and attr store1 > 53.919))
6 6 0 peak 6204 volume 7407390 hpm1 54.519 ppm1 0.439 ppm2 1.807
!# peak 6205-----------------------------------------------
assi (attr store1 < 1.870 and attr store1 > 1.750)
    ((attr store1 < -0.132 and attr store1 > -0.192)
     and bondedto (attr store1 < 55.095 and attr store1 > 53.895))
6 6 0 peak 6205 volume 7739557 hpm1 54.495 ppm1 -0.162 ppm2 1.810
!# peak 6206-----------------------------------------------
assi (attr store1 < 6.425 and attr store1 > 6.305)
    ((attr store1 < 2.207 and attr store1 > 2.147)
     and bondedto (attr store1 < 55.166 and attr store1 > 53.966))
6 6 0 peak 6206 volume 17105540 hpm1 54.566 ppm1 2.177 ppm2 6.365
!# peak 6207-----------------------------------------------
assi (attr store1 < 7.709 and attr store1 > 7.589)
    ((attr store1 < 1.899 and attr store1 > 1.839)
     and bondedto (attr store1 < 54.934 and attr store1 > 53.734))
6 6 0 peak 6207 volume 237639296 hpm1 54.334 ppm1 1.869 ppm2 7.649
!# peak 6208-----------------------------------------------
assi (attr store1 < 7.790 and attr store1 > 7.670)
    ((attr store1 < 1.733 and attr store1 > 1.673)
     and bondedto (attr store1 < 55.247 and attr store1 > 54.047))
6 6 0 peak 6208 volume 113073200 hpm1 54.647 ppm1 1.703 ppm2 7.730
!# peak 6209-----------------------------------------------
assi (attr store1 < 7.746 and attr store1 > 7.626)
    ((attr store1 < 2.028 and attr store1 > 1.968)
     and bondedto (attr store1 < 55.087 and attr store1 > 53.887))
6 6 0 peak 6209 volume 88621048 hpm1 54.487 ppm1 1.998 ppm2 7.686
!# peak 6210-----------------------------------------------
assi (attr store1 < 7.340 and attr store1 > 7.220)
    ((attr store1 < 1.896 and attr store1 > 1.836)
     and bondedto (attr store1 < 55.094 and attr store1 > 53.894))
6 6 0 peak 6210 volume 206181088 hpm1 54.494 ppm1 1.866 ppm2 7.280
!# peak 6211-----------------------------------------------
assi (attr store1 < 7.789 and attr store1 > 7.669)
    ((attr store1 < 1.937 and attr store1 > 1.877)
     and bondedto (attr store1 < 55.253 and attr store1 > 54.053))
6 6 0 peak 6211 volume 224900400 hpm1 54.653 ppm1 1.907 ppm2 7.729
!# peak 6212-----------------------------------------------
assi (attr store1 < 0.881 and attr store1 > 0.761)
    ((attr store1 < 1.892 and attr store1 > 1.832)
     and bondedto (attr store1 < 55.161 and attr store1 > 53.961))
6 6 0 peak 6212 volume 111200104 hpm1 54.561 ppm1 1.862 ppm2 0.821
!# peak 6213-----------------------------------------------
assi (attr store1 < 0.569 and attr store1 > 0.449)
    ((attr store1 < 2.210 and attr store1 > 2.150)
     and bondedto (attr store1 < 55.177 and attr store1 > 53.977))
6 6 0 peak 6213 volume 175240608 hpm1 54.577 ppm1 2.180 ppm2 0.509
!# peak 6214-----------------------------------------------
assi (attr store1 < 0.519 and attr store1 > 0.399)
    ((attr store1 < 1.916 and attr store1 > 1.856)
     and bondedto (attr store1 < 55.143 and attr store1 > 53.943))
6 6 0 peak 6214 volume 152007200 hpm1 54.543 ppm1 1.886 ppm2 0.459
!# peak 6218-----------------------------------------------
assi (attr store1 < 0.157 and attr store1 > 0.037)
    ((attr store1 < 1.895 and attr store1 > 1.835)
     and bondedto (attr store1 < 55.106 and attr store1 > 53.906))
6 6 0 peak 6218 volume 65326888 hpm1 54.506 ppm1 1.865 ppm2 0.097
!# peak 6222-----------------------------------------------
assi (attr store1 < -0.164 and attr store1 > -0.284)
    ((attr store1 < 2.210 and attr store1 > 2.150)
     and bondedto (attr store1 < 55.166 and attr store1 > 53.966))
6 6 0 peak 6222 volume 55665852 hpm1 54.566 ppm1 2.180 ppm2 -0.224
!# peak 6226-----------------------------------------------
assi (attr store1 < 4.736 and attr store1 > 4.616)
    ((attr store1 < 2.329 and attr store1 > 2.269)
     and bondedto (attr store1 < 55.202 and attr store1 > 54.002))
6 6 0 peak 6226 volume 193935312 hpm1 54.602 ppm1 2.299 ppm2 4.676
!# peak 6227-----------------------------------------------
assi (attr store1 < 4.746 and attr store1 > 4.626)
    ((attr store1 < 1.895 and attr store1 > 1.835)
     and bondedto (attr store1 < 55.198 and attr store1 > 53.998))
6 6 0 peak 6227 volume 210319104 hpm1 54.598 ppm1 1.865 ppm2 4.686
!# peak 6240-----------------------------------------------
assi (attr store1 < 4.419 and attr store1 > 4.299)
    ((attr store1 < 1.890 and attr store1 > 1.830)
     and bondedto (attr store1 < 55.126 and attr store1 > 53.926))
6 6 0 peak 6240 volume 147751600 hpm1 54.526 ppm1 1.860 ppm2 4.359
!# peak 6242-----------------------------------------------
assi (attr store1 < 4.286 and attr store1 > 4.166)
    ((attr store1 < 2.028 and attr store1 > 1.968)
     and bondedto (attr store1 < 55.053 and attr store1 > 53.853))
6 6 0 peak 6242 volume 586604864 hpm1 54.453 ppm1 1.998 ppm2 4.226
!# peak 6243-----------------------------------------------
assi (attr store1 < 4.245 and attr store1 > 4.125)
    ((attr store1 < 1.896 and attr store1 > 1.836)
     and bondedto (attr store1 < 55.108 and attr store1 > 53.908))
6 6 0 peak 6243 volume 624316992 hpm1 54.508 ppm1 1.866 ppm2 4.185
!# peak 6244-----------------------------------------------
assi (attr store1 < 4.239 and attr store1 > 4.119)
    ((attr store1 < 1.733 and attr store1 > 1.673)
     and bondedto (attr store1 < 55.246 and attr store1 > 54.046))
6 6 0 peak 6244 volume 140888096 hpm1 54.646 ppm1 1.703 ppm2 4.179
!# peak 6245-----------------------------------------------
assi (attr store1 < 4.163 and attr store1 > 4.043)
    ((attr store1 < 2.209 and attr store1 > 2.149)
     and bondedto (attr store1 < 55.174 and attr store1 > 53.974))
6 6 0 peak 6245 volume 310625504 hpm1 54.574 ppm1 2.179 ppm2 4.103
!# peak 6246-----------------------------------------------
assi (attr store1 < 4.024 and attr store1 > 3.904)
    ((attr store1 < 1.937 and attr store1 > 1.877)
     and bondedto (attr store1 < 55.242 and attr store1 > 54.042))
6 6 0 peak 6246 volume 187585200 hpm1 54.642 ppm1 1.907 ppm2 3.964
!# peak 6247-----------------------------------------------
assi (attr store1 < 4.024 and attr store1 > 3.904)
    ((attr store1 < 1.829 and attr store1 > 1.769)
     and bondedto (attr store1 < 55.199 and attr store1 > 53.999))
6 6 0 peak 6247 volume 68070224 hpm1 54.599 ppm1 1.799 ppm2 3.964
!# peak 6248-----------------------------------------------
assi (attr store1 < 4.023 and attr store1 > 3.903)
    ((attr store1 < 1.731 and attr store1 > 1.671)
     and bondedto (attr store1 < 55.248 and attr store1 > 54.048))
6 6 0 peak 6248 volume 100645296 hpm1 54.648 ppm1 1.701 ppm2 3.963
!# peak 6249-----------------------------------------------
assi (attr store1 < 3.873 and attr store1 > 3.753)
    ((attr store1 < 2.349 and attr store1 > 2.289)
     and bondedto (attr store1 < 55.218 and attr store1 > 54.018))
6 6 0 peak 6249 volume 37392972 hpm1 54.618 ppm1 2.319 ppm2 3.813
!# peak 6250-----------------------------------------------
assi (attr store1 < 3.880 and attr store1 > 3.760)
    ((attr store1 < 1.936 and attr store1 > 1.876)
     and bondedto (attr store1 < 55.227 and attr store1 > 54.027))
6 6 0 peak 6250 volume 131386000 hpm1 54.627 ppm1 1.906 ppm2 3.820
!# peak 6251-----------------------------------------------
assi (attr store1 < 3.693 and attr store1 > 3.573)
    ((attr store1 < 2.347 and attr store1 > 2.287)
     and bondedto (attr store1 < 55.204 and attr store1 > 54.004))
6 6 0 peak 6251 volume 64328660 hpm1 54.604 ppm1 2.317 ppm2 3.633
!# peak 6252-----------------------------------------------
assi (attr store1 < 3.695 and attr store1 > 3.575)
    ((attr store1 < 1.898 and attr store1 > 1.838)
     and bondedto (attr store1 < 55.198 and attr store1 > 53.998))
6 6 0 peak 6252 volume 157453104 hpm1 54.598 ppm1 1.868 ppm2 3.635
!# peak 6253-----------------------------------------------
assi (attr store1 < 3.653 and attr store1 > 3.533)
    ((attr store1 < 2.210 and attr store1 > 2.150)
     and bondedto (attr store1 < 54.893 and attr store1 > 53.693))
6 6 0 peak 6253 volume 232231312 hpm1 54.293 ppm1 2.180 ppm2 3.593
!# peak 6254-----------------------------------------------
assi (attr store1 < 3.468 and attr store1 > 3.348)
    ((attr store1 < 2.210 and attr store1 > 2.150)
     and bondedto (attr store1 < 55.174 and attr store1 > 53.974))
6 6 0 peak 6254 volume 675714304 hpm1 54.574 ppm1 2.180 ppm2 3.408
!# peak 6255-----------------------------------------------
assi (attr store1 < 3.298 and attr store1 > 3.178)
    ((attr store1 < 1.894 and attr store1 > 1.834)
     and bondedto (attr store1 < 55.114 and attr store1 > 53.914))
6 6 0 peak 6255 volume 265950288 hpm1 54.514 ppm1 1.864 ppm2 3.238
!# peak 6256-----------------------------------------------
assi (attr store1 < 3.245 and attr store1 > 3.125)
    ((attr store1 < 1.803 and attr store1 > 1.743)
     and bondedto (attr store1 < 55.201 and attr store1 > 54.001))
6 6 0 peak 6256 volume 205035008 hpm1 54.601 ppm1 1.773 ppm2 3.185
!# peak 6259-----------------------------------------------
assi (attr store1 < 3.061 and attr store1 > 2.941)
    ((attr store1 < 1.937 and attr store1 > 1.877)
     and bondedto (attr store1 < 55.279 and attr store1 > 54.079))
6 6 0 peak 6259 volume 32600000 hpm1 54.679 ppm1 1.907 ppm2 3.001
!# peak 6260-----------------------------------------------
assi (attr store1 < 3.059 and attr store1 > 2.939)
    ((attr store1 < 1.732 and attr store1 > 1.672)
     and bondedto (attr store1 < 55.245 and attr store1 > 54.045))
6 6 0 peak 6260 volume 100338504 hpm1 54.645 ppm1 1.702 ppm2 2.999
!# peak 6263-----------------------------------------------
assi (attr store1 < 6.142 and attr store1 > 6.022)
    ((attr store1 < -0.150 and attr store1 > -0.210)
     and bondedto (attr store1 < 55.132 and attr store1 > 53.932))
6 6 0 peak 6263 volume 20862290 hpm1 54.532 ppm1 -0.180 ppm2 6.082
!# peak 6267-----------------------------------------------
assi (attr store1 < 7.927 and attr store1 > 7.807)
    ((attr store1 < -0.148 and attr store1 > -0.208)
     and bondedto (attr store1 < 55.143 and attr store1 > 53.943))
6 6 0 peak 6267 volume 25859090 hpm1 54.543 ppm1 -0.178 ppm2 7.867
!# peak 6268-----------------------------------------------
assi (attr store1 < 7.112 and attr store1 > 6.992)
    ((attr store1 < 0.484 and attr store1 > 0.424)
     and bondedto (attr store1 < 55.113 and attr store1 > 53.913))
6 6 0 peak 6268 volume 15754481 hpm1 54.513 ppm1 0.454 ppm2 7.052
!# peak 6269-----------------------------------------------
assi (attr store1 < 8.147 and attr store1 > 8.027)
    ((attr store1 < 3.398 and attr store1 > 3.338)
     and bondedto (attr store1 < 54.905 and attr store1 > 53.705))
6 6 0 peak 6269 volume 113173400 hpm1 54.305 ppm1 3.368 ppm2 8.087
!# peak 6271-----------------------------------------------
assi (attr store1 < 1.469 and attr store1 > 1.349)
    ((attr store1 < 1.896 and attr store1 > 1.836)
     and bondedto (attr store1 < 54.823 and attr store1 > 53.623))
6 6 0 peak 6271 volume 226280592 hpm1 54.223 ppm1 1.866 ppm2 1.409
!# peak 6272-----------------------------------------------
assi (attr store1 < 1.203 and attr store1 > 1.083)
    ((attr store1 < 1.894 and attr store1 > 1.834)
     and bondedto (attr store1 < 54.807 and attr store1 > 53.607))
6 6 0 peak 6272 volume 131705104 hpm1 54.207 ppm1 1.864 ppm2 1.143
!# peak 6273-----------------------------------------------
assi (attr store1 < 2.653 and attr store1 > 2.533)
    ((attr store1 < 2.124 and attr store1 > 2.064)
     and bondedto (attr store1 < 54.696 and attr store1 > 53.496))
6 6 0 peak 6273 volume 380581792 hpm1 54.096 ppm1 2.094 ppm2 2.593
!# peak 6274-----------------------------------------------
assi (attr store1 < 1.979 and attr store1 > 1.859)
    ((attr store1 < 2.354 and attr store1 > 2.294)
     and bondedto (attr store1 < 54.780 and attr store1 > 53.580))
6 6 0 peak 6274 volume 818329856 hpm1 54.180 ppm1 2.324 ppm2 1.919
!# peak 6275-----------------------------------------------
assi (attr store1 < 2.426 and attr store1 > 2.306)
    ((attr store1 < 1.897 and attr store1 > 1.837)
     and bondedto (attr store1 < 54.758 and attr store1 > 53.558))
6 6 0 peak 6275 volume 543563136 hpm1 54.158 ppm1 1.867 ppm2 2.366
!# peak 6276-----------------------------------------------
assi (attr store1 < 2.289 and attr store1 > 2.169)
    ((attr store1 < 1.941 and attr store1 > 1.881)
     and bondedto (attr store1 < 54.796 and attr store1 > 53.596))
6 6 0 peak 6276 volume 0.2439291e+10 hpm1 54.196 ppm1 1.911 ppm2 2.229
!# peak 6277-----------------------------------------------
assi (attr store1 < 2.234 and attr store1 > 2.114)
    ((attr store1 < 1.871 and attr store1 > 1.811)
     and bondedto (attr store1 < 54.759 and attr store1 > 53.559))
6 6 0 peak 6277 volume 836094400 hpm1 54.159 ppm1 1.841 ppm2 2.174
!# peak 6279-----------------------------------------------
assi (attr store1 < 4.464 and attr store1 > 4.344)
    ((attr store1 < 1.669 and attr store1 > 1.609)
     and bondedto (attr store1 < 54.153 and attr store1 > 52.953))
6 6 0 peak 6279 volume 40327280 hpm1 53.553 ppm1 1.639 ppm2 4.404
!# peak 6280-----------------------------------------------
assi (attr store1 < 4.251 and attr store1 > 4.131)
    ((attr store1 < 2.009 and attr store1 > 1.949)
     and bondedto (attr store1 < 54.316 and attr store1 > 53.116))
6 6 0 peak 6280 volume 610296704 hpm1 53.716 ppm1 1.979 ppm2 4.191
!# peak 6281-----------------------------------------------
assi (attr store1 < 4.255 and attr store1 > 4.135)
    ((attr store1 < 1.873 and attr store1 > 1.813)
     and bondedto (attr store1 < 54.359 and attr store1 > 53.159))
6 6 0 peak 6281 volume 586567872 hpm1 53.759 ppm1 1.843 ppm2 4.195
!# peak 6282-----------------------------------------------
assi (attr store1 < 4.114 and attr store1 > 3.994)
    ((attr store1 < 1.672 and attr store1 > 1.612)
     and bondedto (attr store1 < 54.160 and attr store1 > 52.960))
6 6 0 peak 6282 volume 129905704 hpm1 53.560 ppm1 1.642 ppm2 4.054
!# peak 6283-----------------------------------------------
assi (attr store1 < 4.013 and attr store1 > 3.893)
    ((attr store1 < 1.963 and attr store1 > 1.903)
     and bondedto (attr store1 < 54.205 and attr store1 > 53.005))
6 6 0 peak 6283 volume 615905856 hpm1 53.605 ppm1 1.933 ppm2 3.953
!# peak 6284-----------------------------------------------
assi (attr store1 < 4.374 and attr store1 > 4.254)
    ((attr store1 < 2.347 and attr store1 > 2.287)
     and bondedto (attr store1 < 54.158 and attr store1 > 52.958))
6 6 0 peak 6284 volume 235043792 hpm1 53.558 ppm1 2.317 ppm2 4.314
!# peak 6285-----------------------------------------------
assi (attr store1 < 4.249 and attr store1 > 4.129)
    ((attr store1 < 2.348 and attr store1 > 2.288)
     and bondedto (attr store1 < 54.176 and attr store1 > 52.976))
6 6 0 peak 6285 volume 246178496 hpm1 53.576 ppm1 2.318 ppm2 4.189
!# peak 6286-----------------------------------------------
assi (attr store1 < 2.567 and attr store1 > 2.447)
    ((attr store1 < 2.104 and attr store1 > 2.044)
     and bondedto (attr store1 < 53.750 and attr store1 > 52.550))
6 6 0 peak 6286 volume 1845944960 hpm1 53.150 ppm1 2.074 ppm2 2.507
!# peak 6287-----------------------------------------------
assi (attr store1 < 2.386 and attr store1 > 2.266)
    ((attr store1 < 2.102 and attr store1 > 2.042)
     and bondedto (attr store1 < 53.750 and attr store1 > 52.550))
6 6 0 peak 6287 volume 0.5310932e+10 hpm1 53.150 ppm1 2.072 ppm2 2.326
!# peak 6288-----------------------------------------------
assi (attr store1 < 3.010 and attr store1 > 2.890)
    ((attr store1 < 1.673 and attr store1 > 1.613)
     and bondedto (attr store1 < 53.845 and attr store1 > 52.645))
6 6 0 peak 6288 volume 627436864 hpm1 53.245 ppm1 1.643 ppm2 2.950
!# peak 6289-----------------------------------------------
assi (attr store1 < 8.018 and attr store1 > 7.898)
    ((attr store1 < 1.170 and attr store1 > 1.110)
     and bondedto (attr store1 < 53.302 and attr store1 > 52.102))
6 6 0 peak 6289 volume 52573420 hpm1 52.702 ppm1 1.140 ppm2 7.958
!# peak 6290-----------------------------------------------
assi (attr store1 < 5.835 and attr store1 > 5.715)
    ((attr store1 < -0.143 and attr store1 > -0.203)
     and bondedto (attr store1 < 55.110 and attr store1 > 53.910))
6 6 0 peak 6290 volume 3646070 hpm1 54.510 ppm1 -0.173 ppm2 5.775
!# peak 6291-----------------------------------------------
assi (attr store1 < 6.144 and attr store1 > 6.024)
    ((attr store1 < 0.479 and attr store1 > 0.419)
     and bondedto (attr store1 < 55.101 and attr store1 > 53.901))
6 6 0 peak 6291 volume 7869593 hpm1 54.501 ppm1 0.449 ppm2 6.084
!# peak 6292-----------------------------------------------
assi (attr store1 < 6.577 and attr store1 > 6.457)
    ((attr store1 < 0.123 and attr store1 > 0.063)
     and bondedto (attr store1 < 52.998 and attr store1 > 51.798))
6 6 0 peak 6292 volume 18708600 hpm1 52.398 ppm1 0.093 ppm2 6.517
!# peak 6293-----------------------------------------------
assi (attr store1 < 6.927 and attr store1 > 6.807)
    ((attr store1 < 0.124 and attr store1 > 0.064)
     and bondedto (attr store1 < 53.070 and attr store1 > 51.870))
6 6 0 peak 6293 volume 54291980 hpm1 52.470 ppm1 0.094 ppm2 6.867
!# peak 6294-----------------------------------------------
assi (attr store1 < 7.286 and attr store1 > 7.166)
    ((attr store1 < 0.123 and attr store1 > 0.063)
     and bondedto (attr store1 < 53.003 and attr store1 > 51.803))
6 6 0 peak 6294 volume 0.1074042e+06 hpm1 52.403 ppm1 0.093 ppm2 7.226
!# peak 6295-----------------------------------------------
assi (attr store1 < 7.320 and attr store1 > 7.200)
    ((attr store1 < 0.402 and attr store1 > 0.342)
     and bondedto (attr store1 < 53.039 and attr store1 > 51.839))
6 6 0 peak 6295 volume 28119490 hpm1 52.439 ppm1 0.372 ppm2 7.260
!# peak 6296-----------------------------------------------
assi (attr store1 < 6.860 and attr store1 > 6.740)
    ((attr store1 < 0.397 and attr store1 > 0.337)
     and bondedto (attr store1 < 53.084 and attr store1 > 51.884))
6 6 0 peak 6296 volume 41420328 hpm1 52.484 ppm1 0.367 ppm2 6.800
!# peak 6297-----------------------------------------------
assi (attr store1 < 5.052 and attr store1 > 4.932)
    ((attr store1 < 2.192 and attr store1 > 2.132)
     and bondedto (attr store1 < 52.956 and attr store1 > 51.756))
6 6 0 peak 6297 volume 199619600 hpm1 52.356 ppm1 2.162 ppm2 4.992
!# peak 6298-----------------------------------------------
assi (attr store1 < 7.337 and attr store1 > 7.217)
    ((attr store1 < 2.198 and attr store1 > 2.138)
     and bondedto (attr store1 < 53.013 and attr store1 > 51.813))
6 6 0 peak 6298 volume 49448792 hpm1 52.413 ppm1 2.168 ppm2 7.277
!# peak 6299-----------------------------------------------
assi (attr store1 < 7.507 and attr store1 > 7.387)
    ((attr store1 < 2.190 and attr store1 > 2.130)
     and bondedto (attr store1 < 52.943 and attr store1 > 51.743))
6 6 0 peak 6299 volume 128971904 hpm1 52.343 ppm1 2.160 ppm2 7.447
!# peak 6300-----------------------------------------------
assi (attr store1 < 7.499 and attr store1 > 7.379)
    ((attr store1 < 2.238 and attr store1 > 2.178)
     and bondedto (attr store1 < 52.953 and attr store1 > 51.753))
6 6 0 peak 6300 volume 105147696 hpm1 52.353 ppm1 2.208 ppm2 7.439
!# peak 6301-----------------------------------------------
assi (attr store1 < 8.513 and attr store1 > 8.393)
    ((attr store1 < 2.195 and attr store1 > 2.135)
     and bondedto (attr store1 < 52.972 and attr store1 > 51.772))
6 6 0 peak 6301 volume 309511296 hpm1 52.372 ppm1 2.165 ppm2 8.453
!# peak 6302-----------------------------------------------
assi (attr store1 < 7.640 and attr store1 > 7.520)
    ((attr store1 < 1.674 and attr store1 > 1.614)
     and bondedto (attr store1 < 52.858 and attr store1 > 51.658))
6 6 0 peak 6302 volume 12573870 hpm1 52.258 ppm1 1.644 ppm2 7.580
!# peak 6303-----------------------------------------------
assi (attr store1 < 7.649 and attr store1 > 7.529)
    ((attr store1 < 1.900 and attr store1 > 1.840)
     and bondedto (attr store1 < 52.830 and attr store1 > 51.630))
6 6 0 peak 6303 volume 30079830 hpm1 52.230 ppm1 1.870 ppm2 7.589
!# peak 6304-----------------------------------------------
assi (attr store1 < 8.482 and attr store1 > 8.362)
    ((attr store1 < 1.648 and attr store1 > 1.588)
     and bondedto (attr store1 < 52.875 and attr store1 > 51.675))
6 6 0 peak 6304 volume 122089296 hpm1 52.275 ppm1 1.618 ppm2 8.422
!# peak 6306-----------------------------------------------
assi (attr store1 < 1.758 and attr store1 > 1.638)
    ((attr store1 < 0.987 and attr store1 > 0.927)
     and bondedto (attr store1 < 53.099 and attr store1 > 51.899))
6 6 0 peak 6306 volume 267911696 hpm1 52.499 ppm1 0.957 ppm2 1.698
!# peak 6308-----------------------------------------------
assi (attr store1 < 1.429 and attr store1 > 1.309)
    ((attr store1 < 0.987 and attr store1 > 0.927)
     and bondedto (attr store1 < 53.133 and attr store1 > 51.933))
6 6 0 peak 6308 volume 1596152960 hpm1 52.533 ppm1 0.957 ppm2 1.369
!# peak 6309-----------------------------------------------
assi (attr store1 < 4.466 and attr store1 > 4.346)
    ((attr store1 < 1.898 and attr store1 > 1.838)
     and bondedto (attr store1 < 52.918 and attr store1 > 51.718))
6 6 0 peak 6309 volume 145132896 hpm1 52.318 ppm1 1.868 ppm2 4.406
!# peak 6310-----------------------------------------------
assi (attr store1 < 4.459 and attr store1 > 4.339)
    ((attr store1 < 1.671 and attr store1 > 1.611)
     and bondedto (attr store1 < 52.930 and attr store1 > 51.730))
6 6 0 peak 6310 volume 195044800 hpm1 52.330 ppm1 1.641 ppm2 4.399
!# peak 6311-----------------------------------------------
assi (attr store1 < 0.435 and attr store1 > 0.315)
    ((attr store1 < 0.120 and attr store1 > 0.060)
     and bondedto (attr store1 < 53.110 and attr store1 > 51.910))
6 6 0 peak 6311 volume 620766016 hpm1 52.510 ppm1 0.090 ppm2 0.375
!# peak 6312-----------------------------------------------
assi (attr store1 < 0.242 and attr store1 > 0.122)
    ((attr store1 < 0.508 and attr store1 > 0.448)
     and bondedto (attr store1 < 53.122 and attr store1 > 51.922))
6 6 0 peak 6312 volume 159289200 hpm1 52.522 ppm1 0.478 ppm2 0.182
!# peak 6313-----------------------------------------------
assi (attr store1 < 2.029 and attr store1 > 1.909)
    ((attr store1 < 5.584 and attr store1 > 5.524)
     and bondedto (attr store1 < 32.205 and attr store1 > 31.005))
6 6 0 peak 6313 volume 36940560 hpm1 31.605 ppm1 5.554 ppm2 1.969
!# peak 6314-----------------------------------------------
assi (attr store1 < 0.857 and attr store1 > 0.737)
    ((attr store1 < 5.583 and attr store1 > 5.523)
     and bondedto (attr store1 < 32.328 and attr store1 > 31.128))
6 6 0 peak 6314 volume 42327860 hpm1 31.728 ppm1 5.553 ppm2 0.797
!# peak 6315-----------------------------------------------
assi (attr store1 < 0.599 and attr store1 > 0.479)
    ((attr store1 < 5.589 and attr store1 > 5.529)
     and bondedto (attr store1 < 32.328 and attr store1 > 31.128))
6 6 0 peak 6315 volume 33187788 hpm1 31.728 ppm1 5.559 ppm2 0.539
!# peak 6316-----------------------------------------------
assi (attr store1 < 10.321 and attr store1 > 10.201)
    ((attr store1 < 5.585 and attr store1 > 5.525)
     and bondedto (attr store1 < 32.216 and attr store1 > 31.016))
6 6 0 peak 6316 volume 4522088 hpm1 31.616 ppm1 5.555 ppm2 10.261
!# peak 6317-----------------------------------------------
assi (attr store1 < 4.775 and attr store1 > 4.655)
    ((attr store1 < 5.582 and attr store1 > 5.522)
     and bondedto (attr store1 < 32.247 and attr store1 > 31.047))
6 6 0 peak 6317 volume 252428000 hpm1 31.647 ppm1 5.552 ppm2 4.715
!# peak 6318-----------------------------------------------
assi (attr store1 < 7.757 and attr store1 > 7.637)
    ((attr store1 < 5.585 and attr store1 > 5.525)
     and bondedto (attr store1 < 32.218 and attr store1 > 31.018))
6 6 0 peak 6318 volume 23443210 hpm1 31.618 ppm1 5.555 ppm2 7.697
!# peak 6319-----------------------------------------------
assi (attr store1 < 7.929 and attr store1 > 7.809)
    ((attr store1 < 5.583 and attr store1 > 5.523)
     and bondedto (attr store1 < 32.203 and attr store1 > 31.003))
6 6 0 peak 6319 volume 53433288 hpm1 31.603 ppm1 5.553 ppm2 7.869
!# peak 6320-----------------------------------------------
assi (attr store1 < 1.955 and attr store1 > 1.835)
    ((attr store1 < 4.304 and attr store1 > 4.244)
     and bondedto (attr store1 < 31.798 and attr store1 > 30.598))
6 6 0 peak 6320 volume 242210304 hpm1 31.198 ppm1 4.274 ppm2 1.895
!# peak 6323-----------------------------------------------
assi (attr store1 < 1.664 and attr store1 > 1.544)
    ((attr store1 < 4.304 and attr store1 > 4.244)
     and bondedto (attr store1 < 31.817 and attr store1 > 30.617))
6 6 0 peak 6323 volume 708977280 hpm1 31.217 ppm1 4.274 ppm2 1.604
!# peak 6324-----------------------------------------------
assi (attr store1 < 1.478 and attr store1 > 1.358)
    ((attr store1 < 4.302 and attr store1 > 4.242)
     and bondedto (attr store1 < 31.803 and attr store1 > 30.603))
6 6 0 peak 6324 volume 611411712 hpm1 31.203 ppm1 4.272 ppm2 1.418
!# peak 6325-----------------------------------------------
assi (attr store1 < 1.159 and attr store1 > 1.039)
    ((attr store1 < 4.302 and attr store1 > 4.242)
     and bondedto (attr store1 < 31.808 and attr store1 > 30.608))
6 6 0 peak 6325 volume 671847872 hpm1 31.208 ppm1 4.272 ppm2 1.099
!# peak 6328-----------------------------------------------
assi (attr store1 < 0.518 and attr store1 > 0.398)
    ((attr store1 < 4.302 and attr store1 > 4.242)
     and bondedto (attr store1 < 31.813 and attr store1 > 30.613))
6 6 0 peak 6328 volume 348798528 hpm1 31.213 ppm1 4.272 ppm2 0.458
!# peak 6329-----------------------------------------------
assi (attr store1 < 0.164 and attr store1 > 0.044)
    ((attr store1 < 4.302 and attr store1 > 4.242)
     and bondedto (attr store1 < 31.811 and attr store1 > 30.611))
6 6 0 peak 6329 volume 176520096 hpm1 31.211 ppm1 4.272 ppm2 0.104
!# peak 6330-----------------------------------------------
assi (attr store1 < 2.248 and attr store1 > 2.128)
    ((attr store1 < 3.416 and attr store1 > 3.356)
     and bondedto (attr store1 < 31.737 and attr store1 > 30.537))
6 6 0 peak 6330 volume 211522000 hpm1 31.137 ppm1 3.386 ppm2 2.188
!# peak 6334-----------------------------------------------
assi (attr store1 < 1.871 and attr store1 > 1.751)
    ((attr store1 < 3.417 and attr store1 > 3.357)
     and bondedto (attr store1 < 31.762 and attr store1 > 30.562))
6 6 0 peak 6334 volume 80823632 hpm1 31.162 ppm1 3.387 ppm2 1.811
!# peak 6335-----------------------------------------------
assi (attr store1 < 1.739 and attr store1 > 1.619)
    ((attr store1 < 3.436 and attr store1 > 3.376)
     and bondedto (attr store1 < 31.768 and attr store1 > 30.568))
6 6 0 peak 6335 volume 52287268 hpm1 31.168 ppm1 3.406 ppm2 1.679
!# peak 6336-----------------------------------------------
assi (attr store1 < 1.489 and attr store1 > 1.369)
    ((attr store1 < 3.585 and attr store1 > 3.525)
     and bondedto (attr store1 < 32.067 and attr store1 > 30.867))
6 6 0 peak 6336 volume 158398704 hpm1 31.467 ppm1 3.555 ppm2 1.429
!# peak 6337-----------------------------------------------
assi (attr store1 < 1.478 and attr store1 > 1.358)
    ((attr store1 < 3.395 and attr store1 > 3.335)
     and bondedto (attr store1 < 31.742 and attr store1 > 30.542))
6 6 0 peak 6337 volume 81486736 hpm1 31.142 ppm1 3.365 ppm2 1.418
!# peak 6338-----------------------------------------------
assi (attr store1 < 0.919 and attr store1 > 0.799)
    ((attr store1 < 3.419 and attr store1 > 3.359)
     and bondedto (attr store1 < 31.770 and attr store1 > 30.570))
6 6 0 peak 6338 volume 78597880 hpm1 31.170 ppm1 3.389 ppm2 0.859
!# peak 6340-----------------------------------------------
assi (attr store1 < 0.514 and attr store1 > 0.394)
    ((attr store1 < 3.418 and attr store1 > 3.358)
     and bondedto (attr store1 < 31.758 and attr store1 > 30.558))
6 6 0 peak 6340 volume 148704800 hpm1 31.158 ppm1 3.388 ppm2 0.454
!# peak 6341-----------------------------------------------
assi (attr store1 < 2.241 and attr store1 > 2.121)
    ((attr store1 < 3.598 and attr store1 > 3.538)
     and bondedto (attr store1 < 31.744 and attr store1 > 30.544))
6 6 0 peak 6341 volume 94090272 hpm1 31.144 ppm1 3.568 ppm2 2.181
!# peak 6342-----------------------------------------------
assi (attr store1 < 3.429 and attr store1 > 3.309)
    ((attr store1 < 3.602 and attr store1 > 3.542)
     and bondedto (attr store1 < 31.741 and attr store1 > 30.541))
6 6 0 peak 6342 volume 832504832 hpm1 31.141 ppm1 3.572 ppm2 3.369
!# peak 6343-----------------------------------------------
assi (attr store1 < 3.472 and attr store1 > 3.352)
    ((attr store1 < 3.669 and attr store1 > 3.609)
     and bondedto (attr store1 < 31.768 and attr store1 > 30.568))
6 6 0 peak 6343 volume 782537280 hpm1 31.168 ppm1 3.639 ppm2 3.412
!# peak 6344-----------------------------------------------
assi (attr store1 < 3.706 and attr store1 > 3.586)
    ((attr store1 < 3.418 and attr store1 > 3.358)
     and bondedto (attr store1 < 31.764 and attr store1 > 30.564))
6 6 0 peak 6344 volume 987756288 hpm1 31.164 ppm1 3.388 ppm2 3.646
!# peak 6345-----------------------------------------------
assi (attr store1 < 4.146 and attr store1 > 4.026)
    ((attr store1 < 3.418 and attr store1 > 3.358)
     and bondedto (attr store1 < 31.752 and attr store1 > 30.552))
6 6 0 peak 6345 volume 147825488 hpm1 31.152 ppm1 3.388 ppm2 4.086
!# peak 6346-----------------------------------------------
assi (attr store1 < 3.973 and attr store1 > 3.853)
    ((attr store1 < 3.419 and attr store1 > 3.359)
     and bondedto (attr store1 < 31.763 and attr store1 > 30.563))
6 6 0 peak 6346 volume 139004096 hpm1 31.163 ppm1 3.389 ppm2 3.913
!# peak 6347-----------------------------------------------
assi (attr store1 < 3.967 and attr store1 > 3.847)
    ((attr store1 < 3.671 and attr store1 > 3.611)
     and bondedto (attr store1 < 31.760 and attr store1 > 30.560))
6 6 0 peak 6347 volume 101631704 hpm1 31.160 ppm1 3.641 ppm2 3.907
!# peak 6348-----------------------------------------------
assi (attr store1 < 4.110 and attr store1 > 3.990)
    ((attr store1 < 3.670 and attr store1 > 3.610)
     and bondedto (attr store1 < 31.751 and attr store1 > 30.551))
6 6 0 peak 6348 volume 72208704 hpm1 31.151 ppm1 3.640 ppm2 4.050
!# peak 6349-----------------------------------------------
assi (attr store1 < 8.724 and attr store1 > 8.604)
    ((attr store1 < 3.602 and attr store1 > 3.542)
     and bondedto (attr store1 < 31.747 and attr store1 > 30.547))
6 6 0 peak 6349 volume 48229180 hpm1 31.147 ppm1 3.572 ppm2 8.664
!# peak 6350-----------------------------------------------
assi (attr store1 < 8.736 and attr store1 > 8.616)
    ((attr store1 < 3.371 and attr store1 > 3.311)
     and bondedto (attr store1 < 31.740 and attr store1 > 30.540))
6 6 0 peak 6350 volume 69933880 hpm1 31.140 ppm1 3.341 ppm2 8.676
!# peak 6351-----------------------------------------------
assi (attr store1 < 8.577 and attr store1 > 8.457)
    ((attr store1 < 3.669 and attr store1 > 3.609)
     and bondedto (attr store1 < 31.770 and attr store1 > 30.570))
6 6 0 peak 6351 volume 68228560 hpm1 31.170 ppm1 3.639 ppm2 8.517
!# peak 6352-----------------------------------------------
assi (attr store1 < 8.576 and attr store1 > 8.456)
    ((attr store1 < 3.418 and attr store1 > 3.358)
     and bondedto (attr store1 < 31.770 and attr store1 > 30.570))
6 6 0 peak 6352 volume 72436984 hpm1 31.170 ppm1 3.388 ppm2 8.516
!# peak 6356-----------------------------------------------
assi (attr store1 < 8.105 and attr store1 > 7.985)
    ((attr store1 < 3.669 and attr store1 > 3.609)
     and bondedto (attr store1 < 31.754 and attr store1 > 30.554))
6 6 0 peak 6356 volume 53582664 hpm1 31.154 ppm1 3.639 ppm2 8.045
!# peak 6357-----------------------------------------------
assi (attr store1 < 8.110 and attr store1 > 7.990)
    ((attr store1 < 3.420 and attr store1 > 3.360)
     and bondedto (attr store1 < 31.764 and attr store1 > 30.564))
6 6 0 peak 6357 volume 180040112 hpm1 31.164 ppm1 3.390 ppm2 8.050
!# peak 6359-----------------------------------------------
assi (attr store1 < 7.846 and attr store1 > 7.726)
    ((attr store1 < 3.669 and attr store1 > 3.609)
     and bondedto (attr store1 < 31.767 and attr store1 > 30.567))
6 6 0 peak 6359 volume 142708704 hpm1 31.167 ppm1 3.639 ppm2 7.786
!# peak 6360-----------------------------------------------
assi (attr store1 < 7.844 and attr store1 > 7.724)
    ((attr store1 < 3.420 and attr store1 > 3.360)
     and bondedto (attr store1 < 31.768 and attr store1 > 30.568))
6 6 0 peak 6360 volume 107615504 hpm1 31.168 ppm1 3.390 ppm2 7.784
!# peak 6361-----------------------------------------------
assi (attr store1 < 7.575 and attr store1 > 7.455)
    ((attr store1 < 3.597 and attr store1 > 3.537)
     and bondedto (attr store1 < 31.734 and attr store1 > 30.534))
6 6 0 peak 6361 volume 45802600 hpm1 31.134 ppm1 3.567 ppm2 7.515
!# peak 6362-----------------------------------------------
assi (attr store1 < 7.574 and attr store1 > 7.454)
    ((attr store1 < 3.373 and attr store1 > 3.313)
     and bondedto (attr store1 < 31.731 and attr store1 > 30.531))
6 6 0 peak 6362 volume 102864800 hpm1 31.131 ppm1 3.343 ppm2 7.514
!# peak 6364-----------------------------------------------
assi (attr store1 < 7.225 and attr store1 > 7.105)
    ((attr store1 < 3.600 and attr store1 > 3.540)
     and bondedto (attr store1 < 31.721 and attr store1 > 30.521))
6 6 0 peak 6364 volume 12251390 hpm1 31.121 ppm1 3.570 ppm2 7.165
!# peak 6365-----------------------------------------------
assi (attr store1 < 7.215 and attr store1 > 7.095)
    ((attr store1 < 3.669 and attr store1 > 3.609)
     and bondedto (attr store1 < 31.750 and attr store1 > 30.550))
6 6 0 peak 6365 volume 18992800 hpm1 31.150 ppm1 3.639 ppm2 7.155
!# peak 6370-----------------------------------------------
assi (attr store1 < 6.599 and attr store1 > 6.479)
    ((attr store1 < 3.669 and attr store1 > 3.609)
     and bondedto (attr store1 < 31.778 and attr store1 > 30.578))
6 6 0 peak 6370 volume 60753960 hpm1 31.178 ppm1 3.639 ppm2 6.539
!# peak 6371-----------------------------------------------
assi (attr store1 < 6.601 and attr store1 > 6.481)
    ((attr store1 < 3.421 and attr store1 > 3.361)
     and bondedto (attr store1 < 31.771 and attr store1 > 30.571))
6 6 0 peak 6371 volume 37805880 hpm1 31.171 ppm1 3.391 ppm2 6.541
!# peak 6376-----------------------------------------------
assi (attr store1 < 5.641 and attr store1 > 5.521)
    ((attr store1 < 3.420 and attr store1 > 3.360)
     and bondedto (attr store1 < 31.769 and attr store1 > 30.569))
6 6 0 peak 6376 volume 154097392 hpm1 31.169 ppm1 3.390 ppm2 5.581
!# peak 6377-----------------------------------------------
assi (attr store1 < 5.621 and attr store1 > 5.501)
    ((attr store1 < 3.598 and attr store1 > 3.538)
     and bondedto (attr store1 < 31.765 and attr store1 > 30.565))
6 6 0 peak 6377 volume 96555440 hpm1 31.165 ppm1 3.568 ppm2 5.561
!# peak 6378-----------------------------------------------
assi (attr store1 < 5.617 and attr store1 > 5.497)
    ((attr store1 < 3.373 and attr store1 > 3.313)
     and bondedto (attr store1 < 31.746 and attr store1 > 30.546))
6 6 0 peak 6378 volume 80078224 hpm1 31.146 ppm1 3.343 ppm2 5.557
!# peak 6379-----------------------------------------------
assi (attr store1 < 7.207 and attr store1 > 7.087)
    ((attr store1 < 3.418 and attr store1 > 3.358)
     and bondedto (attr store1 < 31.762 and attr store1 > 30.562))
6 6 0 peak 6379 volume 51319800 hpm1 31.162 ppm1 3.388 ppm2 7.147
!# peak 6380-----------------------------------------------
assi (attr store1 < 7.207 and attr store1 > 7.087)
    ((attr store1 < 3.418 and attr store1 > 3.358)
     and bondedto (attr store1 < 31.762 and attr store1 > 30.562))
6 6 0 peak 6380 volume 51319800 hpm1 31.162 ppm1 3.388 ppm2 7.147
!# peak 6381-----------------------------------------------
assi (attr store1 < 9.123 and attr store1 > 9.003)
    ((attr store1 < 2.891 and attr store1 > 2.831)
     and bondedto (attr store1 < 31.748 and attr store1 > 30.548))
6 6 0 peak 6381 volume 68915168 hpm1 31.148 ppm1 2.861 ppm2 9.063
!# peak 6382-----------------------------------------------
assi (attr store1 < 8.554 and attr store1 > 8.434)
    ((attr store1 < 2.892 and attr store1 > 2.832)
     and bondedto (attr store1 < 31.752 and attr store1 > 30.552))
6 6 0 peak 6382 volume 45372040 hpm1 31.152 ppm1 2.862 ppm2 8.494
!# peak 6383-----------------------------------------------
assi (attr store1 < 8.375 and attr store1 > 8.255)
    ((attr store1 < 2.891 and attr store1 > 2.831)
     and bondedto (attr store1 < 31.749 and attr store1 > 30.549))
6 6 0 peak 6383 volume 74210416 hpm1 31.149 ppm1 2.861 ppm2 8.315
!# peak 6384-----------------------------------------------
assi (attr store1 < 7.890 and attr store1 > 7.770)
    ((attr store1 < 2.878 and attr store1 > 2.818)
     and bondedto (attr store1 < 31.741 and attr store1 > 30.541))
6 6 0 peak 6384 volume 1194659 hpm1 31.141 ppm1 2.848 ppm2 7.830
!# peak 6385-----------------------------------------------
assi (attr store1 < 7.339 and attr store1 > 7.219)
    ((attr store1 < 2.877 and attr store1 > 2.817)
     and bondedto (attr store1 < 31.747 and attr store1 > 30.547))
6 6 0 peak 6385 volume 94771584 hpm1 31.147 ppm1 2.847 ppm2 7.279
!# peak 6386-----------------------------------------------
assi (attr store1 < 7.115 and attr store1 > 6.995)
    ((attr store1 < 2.896 and attr store1 > 2.836)
     and bondedto (attr store1 < 31.755 and attr store1 > 30.555))
6 6 0 peak 6386 volume 53579468 hpm1 31.155 ppm1 2.866 ppm2 7.055
!# peak 6387-----------------------------------------------
assi (attr store1 < 6.930 and attr store1 > 6.810)
    ((attr store1 < 2.891 and attr store1 > 2.831)
     and bondedto (attr store1 < 31.747 and attr store1 > 30.547))
6 6 0 peak 6387 volume 58568196 hpm1 31.147 ppm1 2.861 ppm2 6.870
!# peak 6388-----------------------------------------------
assi (attr store1 < 6.608 and attr store1 > 6.488)
    ((attr store1 < 2.891 and attr store1 > 2.831)
     and bondedto (attr store1 < 31.743 and attr store1 > 30.543))
6 6 0 peak 6388 volume 25290812 hpm1 31.143 ppm1 2.861 ppm2 6.548
!# peak 6389-----------------------------------------------
assi (attr store1 < -0.167 and attr store1 > -0.287)
    ((attr store1 < 3.416 and attr store1 > 3.356)
     and bondedto (attr store1 < 31.738 and attr store1 > 30.538))
6 6 0 peak 6389 volume 17207020 hpm1 31.138 ppm1 3.386 ppm2 -0.227
!# peak 6390-----------------------------------------------
assi (attr store1 < 1.425 and attr store1 > 1.305)
    ((attr store1 < 2.892 and attr store1 > 2.832)
     and bondedto (attr store1 < 31.755 and attr store1 > 30.555))
6 6 0 peak 6390 volume 28636410 hpm1 31.155 ppm1 2.862 ppm2 1.365
!# peak 6391-----------------------------------------------
assi (attr store1 < 1.019 and attr store1 > 0.899)
    ((attr store1 < 2.877 and attr store1 > 2.817)
     and bondedto (attr store1 < 31.749 and attr store1 > 30.549))
6 6 0 peak 6391 volume 60494296 hpm1 31.149 ppm1 2.847 ppm2 0.959
!# peak 6392-----------------------------------------------
assi (attr store1 < 0.844 and attr store1 > 0.724)
    ((attr store1 < 2.877 and attr store1 > 2.817)
     and bondedto (attr store1 < 31.745 and attr store1 > 30.545))
6 6 0 peak 6392 volume 243336896 hpm1 31.145 ppm1 2.847 ppm2 0.784
!# peak 6393-----------------------------------------------
assi (attr store1 < 0.711 and attr store1 > 0.591)
    ((attr store1 < 2.890 and attr store1 > 2.830)
     and bondedto (attr store1 < 31.745 and attr store1 > 30.545))
6 6 0 peak 6393 volume 2788113 hpm1 31.145 ppm1 2.860 ppm2 0.651
!# peak 6394-----------------------------------------------
assi (attr store1 < 0.461 and attr store1 > 0.341)
    ((attr store1 < 2.891 and attr store1 > 2.831)
     and bondedto (attr store1 < 31.746 and attr store1 > 30.546))
6 6 0 peak 6394 volume 56532120 hpm1 31.146 ppm1 2.861 ppm2 0.401
!# peak 6395-----------------------------------------------
assi (attr store1 < 0.192 and attr store1 > 0.072)
    ((attr store1 < 2.877 and attr store1 > 2.817)
     and bondedto (attr store1 < 31.747 and attr store1 > 30.547))
6 6 0 peak 6395 volume 108379496 hpm1 31.147 ppm1 2.847 ppm2 0.132
!# peak 6396-----------------------------------------------
assi (attr store1 < 1.789 and attr store1 > 1.669)
    ((attr store1 < 2.889 and attr store1 > 2.829)
     and bondedto (attr store1 < 31.734 and attr store1 > 30.534))
6 6 0 peak 6396 volume 20460470 hpm1 31.134 ppm1 2.859 ppm2 1.729
!# peak 6397-----------------------------------------------
assi (attr store1 < 2.518 and attr store1 > 2.398)
    ((attr store1 < 2.875 and attr store1 > 2.815)
     and bondedto (attr store1 < 31.769 and attr store1 > 30.569))
6 6 0 peak 6397 volume 30530178 hpm1 31.169 ppm1 2.845 ppm2 2.458
!# peak 6398-----------------------------------------------
assi (attr store1 < 3.202 and attr store1 > 3.082)
    ((attr store1 < 2.896 and attr store1 > 2.836)
     and bondedto (attr store1 < 31.735 and attr store1 > 30.535))
6 6 0 peak 6398 volume 759193600 hpm1 31.135 ppm1 2.866 ppm2 3.142
!# peak 6399-----------------------------------------------
assi (attr store1 < 3.466 and attr store1 > 3.346)
    ((attr store1 < 2.878 and attr store1 > 2.818)
     and bondedto (attr store1 < 31.745 and attr store1 > 30.545))
6 6 0 peak 6399 volume 4816131 hpm1 31.145 ppm1 2.848 ppm2 3.406
!# peak 6400-----------------------------------------------
assi (attr store1 < 3.715 and attr store1 > 3.595)
    ((attr store1 < 2.876 and attr store1 > 2.816)
     and bondedto (attr store1 < 31.741 and attr store1 > 30.541))
6 6 0 peak 6400 volume 1863640 hpm1 31.141 ppm1 2.846 ppm2 3.655
!# peak 6402-----------------------------------------------
assi (attr store1 < 1.457 and attr store1 > 1.337)
    ((attr store1 < -0.147 and attr store1 > -0.207)
     and bondedto (attr store1 < 31.711 and attr store1 > 30.511))
6 6 0 peak 6402 volume 9260120 hpm1 31.111 ppm1 -0.177 ppm2 1.397
!# peak 6404-----------------------------------------------
assi (attr store1 < 0.523 and attr store1 > 0.403)
    ((attr store1 < -0.133 and attr store1 > -0.193)
     and bondedto (attr store1 < 31.690 and attr store1 > 30.490))
6 6 0 peak 6404 volume 41619100 hpm1 31.090 ppm1 -0.163 ppm2 0.463
!# peak 6407-----------------------------------------------
assi (attr store1 < -0.082 and attr store1 > -0.202)
    ((attr store1 < 0.481 and attr store1 > 0.421)
     and bondedto (attr store1 < 31.679 and attr store1 > 30.479))
6 6 0 peak 6407 volume 7453438 hpm1 31.079 ppm1 0.451 ppm2 -0.142
!# peak 6408-----------------------------------------------
assi (attr store1 < 1.469 and attr store1 > 1.349)
    ((attr store1 < 0.488 and attr store1 > 0.428)
     and bondedto (attr store1 < 31.716 and attr store1 > 30.516))
6 6 0 peak 6408 volume 1481178 hpm1 31.116 ppm1 0.458 ppm2 1.409
!# peak 6409-----------------------------------------------
assi (attr store1 < 1.255 and attr store1 > 1.135)
    ((attr store1 < 0.466 and attr store1 > 0.406)
     and bondedto (attr store1 < 31.688 and attr store1 > 30.488))
6 6 0 peak 6409 volume 2313592 hpm1 31.088 ppm1 0.436 ppm2 1.195
!# peak 6410-----------------------------------------------
assi (attr store1 < 1.014 and attr store1 > 0.894)
    ((attr store1 < -0.137 and attr store1 > -0.197)
     and bondedto (attr store1 < 31.710 and attr store1 > 30.510))
6 6 0 peak 6410 volume 2187206 hpm1 31.110 ppm1 -0.167 ppm2 0.954
!# peak 6411-----------------------------------------------
assi (attr store1 < 1.475 and attr store1 > 1.355)
    ((attr store1 < 2.209 and attr store1 > 2.149)
     and bondedto (attr store1 < 31.742 and attr store1 > 30.542))
6 6 0 peak 6411 volume 116572904 hpm1 31.142 ppm1 2.179 ppm2 1.415
!# peak 6412-----------------------------------------------
assi (attr store1 < 1.423 and attr store1 > 1.303)
    ((attr store1 < 1.938 and attr store1 > 1.878)
     and bondedto (attr store1 < 31.754 and attr store1 > 30.554))
6 6 0 peak 6412 volume 535593792 hpm1 31.154 ppm1 1.908 ppm2 1.363
!# peak 6413-----------------------------------------------
assi (attr store1 < 1.246 and attr store1 > 1.126)
    ((attr store1 < 1.940 and attr store1 > 1.880)
     and bondedto (attr store1 < 31.756 and attr store1 > 30.556))
6 6 0 peak 6413 volume 83084456 hpm1 31.156 ppm1 1.910 ppm2 1.186
!# peak 6414-----------------------------------------------
assi (attr store1 < 1.052 and attr store1 > 0.932)
    ((attr store1 < 2.144 and attr store1 > 2.084)
     and bondedto (attr store1 < 31.817 and attr store1 > 30.617))
6 6 0 peak 6414 volume 1257694976 hpm1 31.217 ppm1 2.114 ppm2 0.992
!# peak 6415-----------------------------------------------
assi (attr store1 < 0.568 and attr store1 > 0.448)
    ((attr store1 < 2.211 and attr store1 > 2.151)
     and bondedto (attr store1 < 31.743 and attr store1 > 30.543))
6 6 0 peak 6415 volume 111816600 hpm1 31.143 ppm1 2.181 ppm2 0.508
!# peak 6416-----------------------------------------------
assi (attr store1 < 4.347 and attr store1 > 4.227)
    ((attr store1 < 1.733 and attr store1 > 1.673)
     and bondedto (attr store1 < 32.100 and attr store1 > 30.900))
6 6 0 peak 6416 volume 179156496 hpm1 31.500 ppm1 1.703 ppm2 4.287
!# peak 6418-----------------------------------------------
assi (attr store1 < 4.244 and attr store1 > 4.124)
    ((attr store1 < 1.938 and attr store1 > 1.878)
     and bondedto (attr store1 < 31.747 and attr store1 > 30.547))
6 6 0 peak 6418 volume 217545488 hpm1 31.147 ppm1 1.908 ppm2 4.184
!# peak 6419-----------------------------------------------
assi (attr store1 < 4.248 and attr store1 > 4.128)
    ((attr store1 < 1.733 and attr store1 > 1.673)
     and bondedto (attr store1 < 31.758 and attr store1 > 30.558))
6 6 0 peak 6419 volume 250216992 hpm1 31.158 ppm1 1.703 ppm2 4.188
!# peak 6420-----------------------------------------------
assi (attr store1 < 4.162 and attr store1 > 4.042)
    ((attr store1 < 2.209 and attr store1 > 2.149)
     and bondedto (attr store1 < 31.732 and attr store1 > 30.532))
6 6 0 peak 6420 volume 81483320 hpm1 31.132 ppm1 2.179 ppm2 4.102
!# peak 6421-----------------------------------------------
assi (attr store1 < 4.007 and attr store1 > 3.887)
    ((attr store1 < 2.054 and attr store1 > 1.994)
     and bondedto (attr store1 < 31.788 and attr store1 > 30.588))
6 6 0 peak 6421 volume 344876704 hpm1 31.188 ppm1 2.024 ppm2 3.947
!# peak 6422-----------------------------------------------
assi (attr store1 < 4.024 and attr store1 > 3.904)
    ((attr store1 < 1.938 and attr store1 > 1.878)
     and bondedto (attr store1 < 31.753 and attr store1 > 30.553))
6 6 0 peak 6422 volume 514309408 hpm1 31.153 ppm1 1.908 ppm2 3.964
!# peak 6423-----------------------------------------------
assi (attr store1 < 4.024 and attr store1 > 3.904)
    ((attr store1 < 1.732 and attr store1 > 1.672)
     and bondedto (attr store1 < 31.751 and attr store1 > 30.551))
6 6 0 peak 6423 volume 101962000 hpm1 31.151 ppm1 1.702 ppm2 3.964
!# peak 6424-----------------------------------------------
assi (attr store1 < 3.879 and attr store1 > 3.759)
    ((attr store1 < 2.350 and attr store1 > 2.290)
     and bondedto (attr store1 < 31.731 and attr store1 > 30.531))
6 6 0 peak 6424 volume 37459580 hpm1 31.131 ppm1 2.320 ppm2 3.819
!# peak 6425-----------------------------------------------
assi (attr store1 < 3.886 and attr store1 > 3.766)
    ((attr store1 < 1.965 and attr store1 > 1.905)
     and bondedto (attr store1 < 32.104 and attr store1 > 30.904))
6 6 0 peak 6425 volume 376623616 hpm1 31.504 ppm1 1.935 ppm2 3.826
!# peak 6426-----------------------------------------------
assi (attr store1 < 3.695 and attr store1 > 3.575)
    ((attr store1 < 2.350 and attr store1 > 2.290)
     and bondedto (attr store1 < 31.739 and attr store1 > 30.539))
6 6 0 peak 6426 volume 36716212 hpm1 31.139 ppm1 2.320 ppm2 3.635
!# peak 6427-----------------------------------------------
assi (attr store1 < 3.703 and attr store1 > 3.583)
    ((attr store1 < 1.940 and attr store1 > 1.880)
     and bondedto (attr store1 < 32.083 and attr store1 > 30.883))
6 6 0 peak 6427 volume 77685704 hpm1 31.483 ppm1 1.910 ppm2 3.643
!# peak 6428-----------------------------------------------
assi (attr store1 < 3.653 and attr store1 > 3.533)
    ((attr store1 < 2.215 and attr store1 > 2.155)
     and bondedto (attr store1 < 32.079 and attr store1 > 30.879))
6 6 0 peak 6428 volume 96772720 hpm1 31.479 ppm1 2.185 ppm2 3.593
!# peak 6429-----------------------------------------------
assi (attr store1 < 3.468 and attr store1 > 3.348)
    ((attr store1 < 2.209 and attr store1 > 2.149)
     and bondedto (attr store1 < 31.736 and attr store1 > 30.536))
6 6 0 peak 6429 volume 273880096 hpm1 31.136 ppm1 2.179 ppm2 3.408
!# peak 6430-----------------------------------------------
assi (attr store1 < 3.207 and attr store1 > 3.087)
    ((attr store1 < 1.757 and attr store1 > 1.697)
     and bondedto (attr store1 < 32.099 and attr store1 > 30.899))
6 6 0 peak 6430 volume 213972800 hpm1 31.499 ppm1 1.727 ppm2 3.147
!# peak 6431-----------------------------------------------
assi (attr store1 < 3.065 and attr store1 > 2.945)
    ((attr store1 < 1.938 and attr store1 > 1.878)
     and bondedto (attr store1 < 31.757 and attr store1 > 30.557))
6 6 0 peak 6431 volume 124859104 hpm1 31.157 ppm1 1.908 ppm2 3.005
!# peak 6432-----------------------------------------------
assi (attr store1 < 3.062 and attr store1 > 2.942)
    ((attr store1 < 1.732 and attr store1 > 1.672)
     and bondedto (attr store1 < 31.751 and attr store1 > 30.551))
6 6 0 peak 6432 volume 165255296 hpm1 31.151 ppm1 1.702 ppm2 3.002
!# peak 6433-----------------------------------------------
assi (attr store1 < 4.787 and attr store1 > 4.667)
    ((attr store1 < 1.736 and attr store1 > 1.676)
     and bondedto (attr store1 < 31.768 and attr store1 > 30.568))
6 6 0 peak 6433 volume 167977392 hpm1 31.168 ppm1 1.706 ppm2 4.727
!# peak 6434-----------------------------------------------
assi (attr store1 < 4.736 and attr store1 > 4.616)
    ((attr store1 < 2.347 and attr store1 > 2.287)
     and bondedto (attr store1 < 31.742 and attr store1 > 30.542))
6 6 0 peak 6434 volume 274921600 hpm1 31.142 ppm1 2.317 ppm2 4.676
!# peak 6435-----------------------------------------------
assi (attr store1 < 4.743 and attr store1 > 4.623)
    ((attr store1 < 1.938 and attr store1 > 1.878)
     and bondedto (attr store1 < 31.753 and attr store1 > 30.553))
6 6 0 peak 6435 volume 335294912 hpm1 31.153 ppm1 1.908 ppm2 4.683
!# peak 6436-----------------------------------------------
assi (attr store1 < 2.420 and attr store1 > 2.300)
    ((attr store1 < 1.941 and attr store1 > 1.881)
     and bondedto (attr store1 < 31.731 and attr store1 > 30.531))
6 6 0 peak 6436 volume 223689008 hpm1 31.131 ppm1 1.911 ppm2 2.360
!# peak 6437-----------------------------------------------
assi (attr store1 < 2.370 and attr store1 > 2.250)
    ((attr store1 < 2.052 and attr store1 > 1.992)
     and bondedto (attr store1 < 31.782 and attr store1 > 30.582))
6 6 0 peak 6437 volume 720752448 hpm1 31.182 ppm1 2.022 ppm2 2.310
!# peak 6438-----------------------------------------------
assi (attr store1 < 1.426 and attr store1 > 1.306)
    ((attr store1 < 1.730 and attr store1 > 1.670)
     and bondedto (attr store1 < 31.750 and attr store1 > 30.550))
6 6 0 peak 6438 volume 367780384 hpm1 31.150 ppm1 1.700 ppm2 1.366
!# peak 6439-----------------------------------------------
assi (attr store1 < 0.835 and attr store1 > 0.715)
    ((attr store1 < 1.735 and attr store1 > 1.675)
     and bondedto (attr store1 < 31.778 and attr store1 > 30.578))
6 6 0 peak 6439 volume 279610176 hpm1 31.178 ppm1 1.705 ppm2 0.775
!# peak 6440-----------------------------------------------
assi (attr store1 < 1.976 and attr store1 > 1.856)
    ((attr store1 < 2.352 and attr store1 > 2.292)
     and bondedto (attr store1 < 31.734 and attr store1 > 30.534))
6 6 0 peak 6440 volume 453980704 hpm1 31.134 ppm1 2.322 ppm2 1.916
!# peak 6441-----------------------------------------------
assi (attr store1 < 2.601 and attr store1 > 2.481)
    ((attr store1 < 2.051 and attr store1 > 1.991)
     and bondedto (attr store1 < 31.756 and attr store1 > 30.556))
6 6 0 peak 6441 volume 93574680 hpm1 31.156 ppm1 2.021 ppm2 2.541
!# peak 6442-----------------------------------------------
assi (attr store1 < 1.973 and attr store1 > 1.853)
    ((attr store1 < 1.734 and attr store1 > 1.674)
     and bondedto (attr store1 < 31.752 and attr store1 > 30.552))
6 6 0 peak 6442 volume 1063145984 hpm1 31.152 ppm1 1.704 ppm2 1.913
!# peak 6443-----------------------------------------------
assi (attr store1 < 2.242 and attr store1 > 2.122)
    ((attr store1 < 1.731 and attr store1 > 1.671)
     and bondedto (attr store1 < 31.768 and attr store1 > 30.568))
6 6 0 peak 6443 volume 20459000 hpm1 31.168 ppm1 1.701 ppm2 2.182
!# peak 6444-----------------------------------------------
assi (attr store1 < 1.244 and attr store1 > 1.124)
    ((attr store1 < 1.718 and attr store1 > 1.658)
     and bondedto (attr store1 < 31.744 and attr store1 > 30.544))
6 6 0 peak 6444 volume 74173528 hpm1 31.144 ppm1 1.688 ppm2 1.184
!# peak 6445-----------------------------------------------
assi (attr store1 < 1.788 and attr store1 > 1.668)
    ((attr store1 < 1.937 and attr store1 > 1.877)
     and bondedto (attr store1 < 31.755 and attr store1 > 30.555))
6 6 0 peak 6445 volume 0.759739e+10 hpm1 31.155 ppm1 1.907 ppm2 1.728
!# peak 6446-----------------------------------------------
assi (attr store1 < 0.561 and attr store1 > 0.441)
    ((attr store1 < 1.737 and attr store1 > 1.677)
     and bondedto (attr store1 < 31.764 and attr store1 > 30.564))
6 6 0 peak 6446 volume 217896592 hpm1 31.164 ppm1 1.707 ppm2 0.501
!# peak 6447-----------------------------------------------
assi (attr store1 < 0.522 and attr store1 > 0.402)
    ((attr store1 < 1.960 and attr store1 > 1.900)
     and bondedto (attr store1 < 31.761 and attr store1 > 30.561))
6 6 0 peak 6447 volume 247390496 hpm1 31.161 ppm1 1.930 ppm2 0.462
!# peak 6448-----------------------------------------------
assi (attr store1 < 1.832 and attr store1 > 1.712)
    ((attr store1 < 2.152 and attr store1 > 2.092)
     and bondedto (attr store1 < 32.107 and attr store1 > 30.907))
6 6 0 peak 6448 volume 590295616 hpm1 31.507 ppm1 2.122 ppm2 1.772
!# peak 6450-----------------------------------------------
assi (attr store1 < 8.559 and attr store1 > 8.439)
    ((attr store1 < 2.144 and attr store1 > 2.084)
     and bondedto (attr store1 < 31.818 and attr store1 > 30.618))
6 6 0 peak 6450 volume 309722688 hpm1 31.218 ppm1 2.114 ppm2 8.499
!# peak 6452-----------------------------------------------
assi (attr store1 < 8.158 and attr store1 > 8.038)
    ((attr store1 < 2.208 and attr store1 > 2.148)
     and bondedto (attr store1 < 31.727 and attr store1 > 30.527))
6 6 0 peak 6452 volume 2934953 hpm1 31.127 ppm1 2.178 ppm2 8.098
!# peak 6453-----------------------------------------------
assi (attr store1 < 7.933 and attr store1 > 7.813)
    ((attr store1 < 2.122 and attr store1 > 2.062)
     and bondedto (attr store1 < 31.784 and attr store1 > 30.584))
6 6 0 peak 6453 volume 79974752 hpm1 31.184 ppm1 2.092 ppm2 7.873
!# peak 6454-----------------------------------------------
assi (attr store1 < 7.793 and attr store1 > 7.673)
    ((attr store1 < 1.939 and attr store1 > 1.879)
     and bondedto (attr store1 < 31.756 and attr store1 > 30.556))
6 6 0 peak 6454 volume 433435584 hpm1 31.156 ppm1 1.909 ppm2 7.733
!# peak 6456-----------------------------------------------
assi (attr store1 < 7.792 and attr store1 > 7.672)
    ((attr store1 < 1.733 and attr store1 > 1.673)
     and bondedto (attr store1 < 31.754 and attr store1 > 30.554))
6 6 0 peak 6456 volume 144650400 hpm1 31.154 ppm1 1.703 ppm2 7.732
!# peak 6457-----------------------------------------------
assi (attr store1 < 7.571 and attr store1 > 7.451)
    ((attr store1 < 2.194 and attr store1 > 2.134)
     and bondedto (attr store1 < 31.734 and attr store1 > 30.534))
6 6 0 peak 6457 volume 19262420 hpm1 31.134 ppm1 2.164 ppm2 7.511
!# peak 6460-----------------------------------------------
assi (attr store1 < 6.981 and attr store1 > 6.861)
    ((attr store1 < 2.206 and attr store1 > 2.146)
     and bondedto (attr store1 < 31.731 and attr store1 > 30.531))
6 6 0 peak 6460 volume 78371088 hpm1 31.131 ppm1 2.176 ppm2 6.921
!# peak 6461-----------------------------------------------
assi (attr store1 < 6.838 and attr store1 > 6.718)
    ((attr store1 < 2.145 and attr store1 > 2.085)
     and bondedto (attr store1 < 31.811 and attr store1 > 30.611))
6 6 0 peak 6461 volume 151150496 hpm1 31.211 ppm1 2.115 ppm2 6.778
!# peak 6464-----------------------------------------------
assi (attr store1 < 8.690 and attr store1 > 8.570)
    ((attr store1 < 2.215 and attr store1 > 2.155)
     and bondedto (attr store1 < 31.743 and attr store1 > 30.543))
6 6 0 peak 6464 volume 277741504 hpm1 31.143 ppm1 2.185 ppm2 8.630
!# peak 6465-----------------------------------------------
assi (attr store1 < 7.792 and attr store1 > 7.672)
    ((attr store1 < 1.733 and attr store1 > 1.673)
     and bondedto (attr store1 < 31.754 and attr store1 > 30.554))
6 6 0 peak 6465 volume 144650400 hpm1 31.154 ppm1 1.703 ppm2 7.732
!# peak 6467-----------------------------------------------
assi (attr store1 < 2.187 and attr store1 > 2.067)
    ((attr store1 < 2.649 and attr store1 > 2.589)
     and bondedto (attr store1 < 32.027 and attr store1 > 30.827))
6 6 0 peak 6467 volume 225588896 hpm1 31.427 ppm1 2.619 ppm2 2.127
!# peak 6469-----------------------------------------------
assi (attr store1 < 0.875 and attr store1 > 0.755)
    ((attr store1 < 1.894 and attr store1 > 1.834)
     and bondedto (attr store1 < 32.185 and attr store1 > 30.985))
6 6 0 peak 6469 volume 327206688 hpm1 31.585 ppm1 1.864 ppm2 0.815
!# peak 6470-----------------------------------------------
assi (attr store1 < 0.840 and attr store1 > 0.720)
    ((attr store1 < 1.963 and attr store1 > 1.903)
     and bondedto (attr store1 < 31.976 and attr store1 > 30.776))
6 6 0 peak 6470 volume 0.3107555e+10 hpm1 31.376 ppm1 1.933 ppm2 0.780
!# peak 6473-----------------------------------------------
assi (attr store1 < 7.388 and attr store1 > 7.268)
    ((attr store1 < 3.670 and attr store1 > 3.610)
     and bondedto (attr store1 < 31.917 and attr store1 > 30.717))
6 6 0 peak 6473 volume 63388360 hpm1 31.317 ppm1 3.640 ppm2 7.328
!# peak 6476-----------------------------------------------
assi (attr store1 < 2.200 and attr store1 > 2.080)
    ((attr store1 < 0.993 and attr store1 > 0.933)
     and bondedto (attr store1 < 32.087 and attr store1 > 30.887))
6 6 0 peak 6476 volume 47999160 hpm1 31.487 ppm1 0.963 ppm2 2.140
!# peak 6478-----------------------------------------------
assi (attr store1 < 8.565 and attr store1 > 8.445)
    ((attr store1 < 0.994 and attr store1 > 0.934)
     and bondedto (attr store1 < 32.089 and attr store1 > 30.889))
6 6 0 peak 6478 volume 13701600 hpm1 31.489 ppm1 0.964 ppm2 8.505
!# peak 6479-----------------------------------------------
assi (attr store1 < 4.785 and attr store1 > 4.665)
    ((attr store1 < 1.895 and attr store1 > 1.835)
     and bondedto (attr store1 < 32.313 and attr store1 > 31.113))
6 6 0 peak 6479 volume 415247584 hpm1 31.713 ppm1 1.865 ppm2 4.725
!# peak 6480-----------------------------------------------
assi (attr store1 < 4.469 and attr store1 > 4.349)
    ((attr store1 < 2.235 and attr store1 > 2.175)
     and bondedto (attr store1 < 32.388 and attr store1 > 31.188))
6 6 0 peak 6480 volume 538292416 hpm1 31.788 ppm1 2.205 ppm2 4.409
!# peak 6483-----------------------------------------------
assi (attr store1 < 4.476 and attr store1 > 4.356)
    ((attr store1 < 1.891 and attr store1 > 1.831)
     and bondedto (attr store1 < 32.282 and attr store1 > 31.082))
6 6 0 peak 6483 volume 42716280 hpm1 31.682 ppm1 1.861 ppm2 4.416
!# peak 6484-----------------------------------------------
assi (attr store1 < 4.255 and attr store1 > 4.135)
    ((attr store1 < 1.896 and attr store1 > 1.836)
     and bondedto (attr store1 < 32.282 and attr store1 > 31.082))
6 6 0 peak 6484 volume 217770992 hpm1 31.682 ppm1 1.866 ppm2 4.195
!# peak 6485-----------------------------------------------
assi (attr store1 < 4.063 and attr store1 > 3.943)
    ((attr store1 < 1.982 and attr store1 > 1.922)
     and bondedto (attr store1 < 32.310 and attr store1 > 31.110))
6 6 0 peak 6485 volume 292888416 hpm1 31.710 ppm1 1.952 ppm2 4.003
!# peak 6486-----------------------------------------------
assi (attr store1 < 4.067 and attr store1 > 3.947)
    ((attr store1 < 1.895 and attr store1 > 1.835)
     and bondedto (attr store1 < 32.303 and attr store1 > 31.103))
6 6 0 peak 6486 volume 610138752 hpm1 31.703 ppm1 1.865 ppm2 4.007
!# peak 6487-----------------------------------------------
assi (attr store1 < 4.055 and attr store1 > 3.935)
    ((attr store1 < 2.147 and attr store1 > 2.087)
     and bondedto (attr store1 < 32.262 and attr store1 > 31.062))
6 6 0 peak 6487 volume 171654992 hpm1 31.662 ppm1 2.117 ppm2 3.995
!# peak 6488-----------------------------------------------
assi (attr store1 < 3.783 and attr store1 > 3.663)
    ((attr store1 < 2.147 and attr store1 > 2.087)
     and bondedto (attr store1 < 32.372 and attr store1 > 31.172))
6 6 0 peak 6488 volume 183672288 hpm1 31.772 ppm1 2.117 ppm2 3.723
!# peak 6489-----------------------------------------------
assi (attr store1 < 3.701 and attr store1 > 3.581)
    ((attr store1 < 2.231 and attr store1 > 2.171)
     and bondedto (attr store1 < 32.484 and attr store1 > 31.284))
6 6 0 peak 6489 volume 186038000 hpm1 31.884 ppm1 2.201 ppm2 3.641
!# peak 6490-----------------------------------------------
assi (attr store1 < 4.282 and attr store1 > 4.162)
    ((attr store1 < 2.208 and attr store1 > 2.148)
     and bondedto (attr store1 < 32.511 and attr store1 > 31.311))
6 6 0 peak 6490 volume 63059592 hpm1 31.911 ppm1 2.178 ppm2 4.222
!# peak 6491-----------------------------------------------
assi (attr store1 < 3.980 and attr store1 > 3.860)
    ((attr store1 < 2.191 and attr store1 > 2.131)
     and bondedto (attr store1 < 32.512 and attr store1 > 31.312))
6 6 0 peak 6491 volume 245062688 hpm1 31.912 ppm1 2.161 ppm2 3.920
!# peak 6492-----------------------------------------------
assi (attr store1 < 4.060 and attr store1 > 3.940)
    ((attr store1 < 1.737 and attr store1 > 1.677)
     and bondedto (attr store1 < 32.569 and attr store1 > 31.369))
6 6 0 peak 6492 volume 841754624 hpm1 31.969 ppm1 1.707 ppm2 4.000
!# peak 6493-----------------------------------------------
assi (attr store1 < 4.334 and attr store1 > 4.214)
    ((attr store1 < 1.804 and attr store1 > 1.744)
     and bondedto (attr store1 < 32.483 and attr store1 > 31.283))
6 6 0 peak 6493 volume 252709600 hpm1 31.883 ppm1 1.774 ppm2 4.274
!# peak 6494-----------------------------------------------
assi (attr store1 < 3.599 and attr store1 > 3.479)
    ((attr store1 < 1.983 and attr store1 > 1.923)
     and bondedto (attr store1 < 32.424 and attr store1 > 31.224))
6 6 0 peak 6494 volume 93905192 hpm1 31.824 ppm1 1.953 ppm2 3.539
!# peak 6495-----------------------------------------------
assi (attr store1 < 3.110 and attr store1 > 2.990)
    ((attr store1 < 1.980 and attr store1 > 1.920)
     and bondedto (attr store1 < 32.397 and attr store1 > 31.197))
6 6 0 peak 6495 volume 43877220 hpm1 31.797 ppm1 1.950 ppm2 3.050
!# peak 6496-----------------------------------------------
assi (attr store1 < 4.798 and attr store1 > 4.678)
    ((attr store1 < 2.645 and attr store1 > 2.585)
     and bondedto (attr store1 < 32.205 and attr store1 > 31.005))
6 6 0 peak 6496 volume 81893768 hpm1 31.605 ppm1 2.615 ppm2 4.738
!# peak 6497-----------------------------------------------
assi (attr store1 < 2.019 and attr store1 > 1.899)
    ((attr store1 < 2.487 and attr store1 > 2.427)
     and bondedto (attr store1 < 32.823 and attr store1 > 31.623))
6 6 0 peak 6497 volume 2016365952 hpm1 32.223 ppm1 2.457 ppm2 1.959
!# peak 6498-----------------------------------------------
assi (attr store1 < 2.061 and attr store1 > 1.941)
    ((attr store1 < 2.599 and attr store1 > 2.539)
     and bondedto (attr store1 < 32.838 and attr store1 > 31.638))
6 6 0 peak 6498 volume 499631392 hpm1 32.238 ppm1 2.569 ppm2 2.001
!# peak 6499-----------------------------------------------
assi (attr store1 < 1.974 and attr store1 > 1.854)
    ((attr store1 < 2.598 and attr store1 > 2.538)
     and bondedto (attr store1 < 32.819 and attr store1 > 31.619))
6 6 0 peak 6499 volume 536381600 hpm1 32.219 ppm1 2.568 ppm2 1.914
!# peak 6500-----------------------------------------------
assi (attr store1 < 4.334 and attr store1 > 4.214)
    ((attr store1 < 2.484 and attr store1 > 2.424)
     and bondedto (attr store1 < 32.543 and attr store1 > 31.343))
6 6 0 peak 6500 volume 26077870 hpm1 31.943 ppm1 2.454 ppm2 4.274
!# peak 6501-----------------------------------------------
assi (attr store1 < 2.928 and attr store1 > 2.808)
    ((attr store1 < 1.415 and attr store1 > 1.355)
     and bondedto (attr store1 < 33.060 and attr store1 > 31.860))
6 6 0 peak 6501 volume 251497296 hpm1 32.460 ppm1 1.385 ppm2 2.868
!# peak 6502-----------------------------------------------
assi (attr store1 < 2.780 and attr store1 > 2.660)
    ((attr store1 < 1.415 and attr store1 > 1.355)
     and bondedto (attr store1 < 33.056 and attr store1 > 31.856))
6 6 0 peak 6502 volume 242815488 hpm1 32.456 ppm1 1.385 ppm2 2.720
!# peak 6503-----------------------------------------------
assi (attr store1 < 4.254 and attr store1 > 4.134)
    ((attr store1 < 1.415 and attr store1 > 1.355)
     and bondedto (attr store1 < 33.063 and attr store1 > 31.863))
6 6 0 peak 6503 volume 258754912 hpm1 32.463 ppm1 1.385 ppm2 4.194
!# peak 6504-----------------------------------------------
assi (attr store1 < 4.061 and attr store1 > 3.941)
    ((attr store1 < 1.983 and attr store1 > 1.923)
     and bondedto (attr store1 < 32.928 and attr store1 > 31.728))
6 6 0 peak 6504 volume 624240576 hpm1 32.328 ppm1 1.953 ppm2 4.001
!# peak 6505-----------------------------------------------
assi (attr store1 < 4.524 and attr store1 > 4.404)
    ((attr store1 < 3.048 and attr store1 > 2.988)
     and bondedto (attr store1 < 32.995 and attr store1 > 31.795))
6 6 0 peak 6505 volume 25884870 hpm1 32.395 ppm1 3.018 ppm2 4.464
!# peak 6506-----------------------------------------------
assi (attr store1 < 2.253 and attr store1 > 2.133)
    ((attr store1 < 1.415 and attr store1 > 1.355)
     and bondedto (attr store1 < 33.217 and attr store1 > 32.017))
6 6 0 peak 6506 volume 12522750 hpm1 32.617 ppm1 1.385 ppm2 2.193
!# peak 6509-----------------------------------------------
assi (attr store1 < 7.794 and attr store1 > 7.674)
    ((attr store1 < 3.922 and attr store1 > 3.862)
     and bondedto (attr store1 < 33.716 and attr store1 > 32.516))
6 6 0 peak 6509 volume 128411400 hpm1 33.116 ppm1 3.892 ppm2 7.734
!# peak 6510-----------------------------------------------
assi (attr store1 < 3.466 and attr store1 > 3.346)
    ((attr store1 < 1.417 and attr store1 > 1.357)
     and bondedto (attr store1 < 33.207 and attr store1 > 32.007))
6 6 0 peak 6510 volume 36716200 hpm1 32.607 ppm1 1.387 ppm2 3.406
!# peak 6511-----------------------------------------------
assi (attr store1 < 7.093 and attr store1 > 6.973)
    ((attr store1 < 1.419 and attr store1 > 1.359)
     and bondedto (attr store1 < 33.329 and attr store1 > 32.129))
6 6 0 peak 6511 volume 38371108 hpm1 32.729 ppm1 1.389 ppm2 7.033
!# peak 6512-----------------------------------------------
assi (attr store1 < 7.930 and attr store1 > 7.810)
    ((attr store1 < 1.576 and attr store1 > 1.516)
     and bondedto (attr store1 < 33.729 and attr store1 > 32.529))
6 6 0 peak 6512 volume 27763068 hpm1 33.129 ppm1 1.546 ppm2 7.870
!# peak 6513-----------------------------------------------
assi (attr store1 < 7.522 and attr store1 > 7.402)
    ((attr store1 < 1.578 and attr store1 > 1.518)
     and bondedto (attr store1 < 33.731 and attr store1 > 32.531))
6 6 0 peak 6513 volume 44158940 hpm1 33.131 ppm1 1.548 ppm2 7.462
!# peak 6514-----------------------------------------------
assi (attr store1 < 7.242 and attr store1 > 7.122)
    ((attr store1 < 1.575 and attr store1 > 1.515)
     and bondedto (attr store1 < 33.726 and attr store1 > 32.526))
6 6 0 peak 6514 volume 18117600 hpm1 33.126 ppm1 1.545 ppm2 7.182
!# peak 6515-----------------------------------------------
assi (attr store1 < 6.910 and attr store1 > 6.790)
    ((attr store1 < 1.575 and attr store1 > 1.515)
     and bondedto (attr store1 < 33.717 and attr store1 > 32.517))
6 6 0 peak 6515 volume 47671300 hpm1 33.117 ppm1 1.545 ppm2 6.850
!# peak 6516-----------------------------------------------
assi (attr store1 < 6.642 and attr store1 > 6.522)
    ((attr store1 < 1.578 and attr store1 > 1.518)
     and bondedto (attr store1 < 33.711 and attr store1 > 32.511))
6 6 0 peak 6516 volume 27782088 hpm1 33.111 ppm1 1.548 ppm2 6.582
!# peak 6517-----------------------------------------------
assi (attr store1 < 3.104 and attr store1 > 2.984)
    ((attr store1 < 1.581 and attr store1 > 1.521)
     and bondedto (attr store1 < 33.732 and attr store1 > 32.532))
6 6 0 peak 6517 volume 52145200 hpm1 33.132 ppm1 1.551 ppm2 3.044
!# peak 6518-----------------------------------------------
assi (attr store1 < 2.965 and attr store1 > 2.845)
    ((attr store1 < 1.579 and attr store1 > 1.519)
     and bondedto (attr store1 < 33.710 and attr store1 > 32.510))
6 6 0 peak 6518 volume 72033240 hpm1 33.110 ppm1 1.549 ppm2 2.905
!# peak 6519-----------------------------------------------
assi (attr store1 < 7.433 and attr store1 > 7.313)
    ((attr store1 < 1.895 and attr store1 > 1.835)
     and bondedto (attr store1 < 33.872 and attr store1 > 32.672))
6 6 0 peak 6519 volume 235040208 hpm1 33.272 ppm1 1.865 ppm2 7.373
!# peak 6520-----------------------------------------------
assi (attr store1 < 1.428 and attr store1 > 1.308)
    ((attr store1 < 1.736 and attr store1 > 1.676)
     and bondedto (attr store1 < 33.850 and attr store1 > 32.650))
6 6 0 peak 6520 volume 397821984 hpm1 33.250 ppm1 1.706 ppm2 1.368
!# peak 6521-----------------------------------------------
assi (attr store1 < 0.959 and attr store1 > 0.839)
    ((attr store1 < 0.392 and attr store1 > 0.332)
     and bondedto (attr store1 < 33.997 and attr store1 > 32.797))
6 6 0 peak 6521 volume 29698742 hpm1 33.397 ppm1 0.362 ppm2 0.899
!# peak 6522-----------------------------------------------
assi (attr store1 < 6.923 and attr store1 > 6.803)
    ((attr store1 < 2.506 and attr store1 > 2.446)
     and bondedto (attr store1 < 33.955 and attr store1 > 32.755))
6 6 0 peak 6522 volume 35889920 hpm1 33.355 ppm1 2.476 ppm2 6.863
!# peak 6523-----------------------------------------------
assi (attr store1 < 7.243 and attr store1 > 7.123)
    ((attr store1 < 2.379 and attr store1 > 2.319)
     and bondedto (attr store1 < 33.853 and attr store1 > 32.653))
6 6 0 peak 6523 volume 2666065 hpm1 33.253 ppm1 2.349 ppm2 7.183
!# peak 6524-----------------------------------------------
assi (attr store1 < 7.735 and attr store1 > 7.615)
    ((attr store1 < 4.174 and attr store1 > 4.114)
     and bondedto (attr store1 < 33.932 and attr store1 > 32.732))
6 6 0 peak 6524 volume 122897296 hpm1 33.332 ppm1 4.144 ppm2 7.675
!# peak 6525-----------------------------------------------
assi (attr store1 < 8.208 and attr store1 > 8.088)
    ((attr store1 < 4.260 and attr store1 > 4.200)
     and bondedto (attr store1 < 34.001 and attr store1 > 32.801))
6 6 0 peak 6525 volume 405367200 hpm1 33.401 ppm1 4.230 ppm2 8.148
!# peak 6526-----------------------------------------------
assi (attr store1 < 2.656 and attr store1 > 2.536)
    ((attr store1 < 4.262 and attr store1 > 4.202)
     and bondedto (attr store1 < 34.022 and attr store1 > 32.822))
6 6 0 peak 6526 volume 676586816 hpm1 33.422 ppm1 4.232 ppm2 2.596
!# peak 6527-----------------------------------------------
assi (attr store1 < 2.153 and attr store1 > 2.033)
    ((attr store1 < 4.173 and attr store1 > 4.113)
     and bondedto (attr store1 < 33.940 and attr store1 > 32.740))
6 6 0 peak 6527 volume 501655584 hpm1 33.340 ppm1 4.143 ppm2 2.093
!# peak 6528-----------------------------------------------
assi (attr store1 < 2.295 and attr store1 > 2.175)
    ((attr store1 < 4.235 and attr store1 > 4.175)
     and bondedto (attr store1 < 33.838 and attr store1 > 32.638))
6 6 0 peak 6528 volume 171571600 hpm1 33.238 ppm1 4.205 ppm2 2.235
!# peak 6529-----------------------------------------------
assi (attr store1 < 2.108 and attr store1 > 1.988)
    ((attr store1 < 4.237 and attr store1 > 4.177)
     and bondedto (attr store1 < 33.841 and attr store1 > 32.641))
6 6 0 peak 6529 volume 418997920 hpm1 33.241 ppm1 4.207 ppm2 2.048
!# peak 6530-----------------------------------------------
assi (attr store1 < 1.609 and attr store1 > 1.489)
    ((attr store1 < 4.260 and attr store1 > 4.200)
     and bondedto (attr store1 < 34.025 and attr store1 > 32.825))
6 6 0 peak 6530 volume 204426000 hpm1 33.425 ppm1 4.230 ppm2 1.549
!# peak 6531-----------------------------------------------
assi (attr store1 < 1.47 and attr store1 > 1.35)
    ((attr store1 < 4.260 and attr store1 > 4.200)
     and bondedto (attr store1 < 34.027 and attr store1 > 32.827))
6 6 0 peak 6531 volume 372888384 hpm1 33.427 ppm1 4.230 ppm2 1.41
!# peak 6532-----------------------------------------------
assi (attr store1 < 1.200 and attr store1 > 1.080)
    ((attr store1 < 4.262 and attr store1 > 4.202)
     and bondedto (attr store1 < 34.128 and attr store1 > 32.928))
6 6 0 peak 6532 volume 175842592 hpm1 33.528 ppm1 4.232 ppm2 1.140
!# peak 6533-----------------------------------------------
assi (attr store1 < 0.835 and attr store1 > 0.715)
    ((attr store1 < 4.261 and attr store1 > 4.201)
     and bondedto (attr store1 < 34.182 and attr store1 > 32.982))
6 6 0 peak 6533 volume 56334044 hpm1 33.582 ppm1 4.231 ppm2 0.775
!# peak 6534-----------------------------------------------
assi (attr store1 < 1.794 and attr store1 > 1.674)
    ((attr store1 < 3.981 and attr store1 > 3.921)
     and bondedto (attr store1 < 34.176 and attr store1 > 32.976))
6 6 0 peak 6534 volume 1200443008 hpm1 33.576 ppm1 3.951 ppm2 1.734
!# peak 6535-----------------------------------------------
assi (attr store1 < 1.247 and attr store1 > 1.127)
    ((attr store1 < 3.983 and attr store1 > 3.923)
     and bondedto (attr store1 < 34.172 and attr store1 > 32.972))
6 6 0 peak 6535 volume 247580304 hpm1 33.572 ppm1 3.953 ppm2 1.187
!# peak 6536-----------------------------------------------
assi (attr store1 < 1.019 and attr store1 > 0.899)
    ((attr store1 < 3.990 and attr store1 > 3.930)
     and bondedto (attr store1 < 34.528 and attr store1 > 33.328))
6 6 0 peak 6536 volume 326280000 hpm1 33.928 ppm1 3.960 ppm2 0.959
!# peak 6537-----------------------------------------------
assi (attr store1 < 1.420 and attr store1 > 1.300)
    ((attr store1 < 3.895 and attr store1 > 3.835)
     and bondedto (attr store1 < 34.352 and attr store1 > 33.152))
6 6 0 peak 6537 volume 953424576 hpm1 33.752 ppm1 3.865 ppm2 1.360
!# peak 6538-----------------------------------------------
assi (attr store1 < 0.936 and attr store1 > 0.816)
    ((attr store1 < 3.895 and attr store1 > 3.835)
     and bondedto (attr store1 < 34.390 and attr store1 > 33.190))
6 6 0 peak 6538 volume 554090048 hpm1 33.790 ppm1 3.865 ppm2 0.876
!# peak 6539-----------------------------------------------
assi (attr store1 < 3.430 and attr store1 > 3.310)
    ((attr store1 < 4.486 and attr store1 > 4.426)
     and bondedto (attr store1 < 34.054 and attr store1 > 32.854))
6 6 0 peak 6539 volume 403813888 hpm1 33.454 ppm1 4.456 ppm2 3.370
!# peak 6540-----------------------------------------------
assi (attr store1 < 3.061 and attr store1 > 2.941)
    ((attr store1 < 4.420 and attr store1 > 4.360)
     and bondedto (attr store1 < 34.129 and attr store1 > 32.929))
6 6 0 peak 6540 volume 674524608 hpm1 33.529 ppm1 4.390 ppm2 3.001
!# peak 6541-----------------------------------------------
assi (attr store1 < 2.739 and attr store1 > 2.619)
    ((attr store1 < 4.414 and attr store1 > 4.354)
     and bondedto (attr store1 < 34.117 and attr store1 > 32.917))
6 6 0 peak 6541 volume 999967808 hpm1 33.517 ppm1 4.384 ppm2 2.679
!# peak 6542-----------------------------------------------
assi (attr store1 < 2.648 and attr store1 > 2.528)
    ((attr store1 < 4.370 and attr store1 > 4.310)
     and bondedto (attr store1 < 34.136 and attr store1 > 32.936))
6 6 0 peak 6542 volume 1440791936 hpm1 33.536 ppm1 4.340 ppm2 2.588
!# peak 6543-----------------------------------------------
assi (attr store1 < 2.515 and attr store1 > 2.395)
    ((attr store1 < 4.442 and attr store1 > 4.382)
     and bondedto (attr store1 < 34.154 and attr store1 > 32.954))
6 6 0 peak 6543 volume 1058540992 hpm1 33.554 ppm1 4.412 ppm2 2.455
!# peak 6544-----------------------------------------------
assi (attr store1 < 2.433 and attr store1 > 2.313)
    ((attr store1 < 4.556 and attr store1 > 4.496)
     and bondedto (attr store1 < 34.117 and attr store1 > 32.917))
6 6 0 peak 6544 volume 835283008 hpm1 33.517 ppm1 4.526 ppm2 2.373
!# peak 6545-----------------------------------------------
assi (attr store1 < 2.379 and attr store1 > 2.259)
    ((attr store1 < 4.443 and attr store1 > 4.383)
     and bondedto (attr store1 < 34.162 and attr store1 > 32.962))
6 6 0 peak 6545 volume 706929664 hpm1 33.562 ppm1 4.413 ppm2 2.319
!# peak 6546-----------------------------------------------
assi (attr store1 < 2.290 and attr store1 > 2.170)
    ((attr store1 < 4.368 and attr store1 > 4.308)
     and bondedto (attr store1 < 34.144 and attr store1 > 32.944))
6 6 0 peak 6546 volume 314180416 hpm1 33.544 ppm1 4.338 ppm2 2.230
!# peak 6547-----------------------------------------------
assi (attr store1 < 2.241 and attr store1 > 2.121)
    ((attr store1 < 4.557 and attr store1 > 4.497)
     and bondedto (attr store1 < 34.113 and attr store1 > 32.913))
6 6 0 peak 6547 volume 674985408 hpm1 33.513 ppm1 4.527 ppm2 2.181
!# peak 6548-----------------------------------------------
assi (attr store1 < 2.111 and attr store1 > 1.991)
    ((attr store1 < 4.443 and attr store1 > 4.383)
     and bondedto (attr store1 < 34.161 and attr store1 > 32.961))
6 6 0 peak 6548 volume 488029984 hpm1 33.561 ppm1 4.413 ppm2 2.051
!# peak 6549-----------------------------------------------
assi (attr store1 < 3.061 and attr store1 > 2.941)
    ((attr store1 < 4.420 and attr store1 > 4.360)
     and bondedto (attr store1 < 34.129 and attr store1 > 32.929))
6 6 0 peak 6549 volume 674524608 hpm1 33.529 ppm1 4.390 ppm2 3.001
!# peak 6550-----------------------------------------------
assi (attr store1 < 3.004 and attr store1 > 2.884)
    ((attr store1 < 4.483 and attr store1 > 4.423)
     and bondedto (attr store1 < 34.123 and attr store1 > 32.923))
6 6 0 peak 6550 volume 592279680 hpm1 33.523 ppm1 4.453 ppm2 2.944
!# peak 6551-----------------------------------------------
assi (attr store1 < 1.935 and attr store1 > 1.815)
    ((attr store1 < 4.394 and attr store1 > 4.334)
     and bondedto (attr store1 < 34.105 and attr store1 > 32.905))
6 6 0 peak 6551 volume 702478016 hpm1 33.505 ppm1 4.364 ppm2 1.875
!# peak 6552-----------------------------------------------
assi (attr store1 < 1.565 and attr store1 > 1.445)
    ((attr store1 < 4.483 and attr store1 > 4.423)
     and bondedto (attr store1 < 34.079 and attr store1 > 32.879))
6 6 0 peak 6552 volume 428156192 hpm1 33.479 ppm1 4.453 ppm2 1.505
!# peak 6553-----------------------------------------------
assi (attr store1 < 1.465 and attr store1 > 1.345)
    ((attr store1 < 4.441 and attr store1 > 4.381)
     and bondedto (attr store1 < 34.142 and attr store1 > 32.942))
6 6 0 peak 6553 volume 509470240 hpm1 33.542 ppm1 4.411 ppm2 1.405
!# peak 6554-----------------------------------------------
assi (attr store1 < 1.421 and attr store1 > 1.301)
    ((attr store1 < 4.534 and attr store1 > 4.474)
     and bondedto (attr store1 < 34.118 and attr store1 > 32.918))
6 6 0 peak 6554 volume 412337504 hpm1 33.518 ppm1 4.504 ppm2 1.361
!# peak 6555-----------------------------------------------
assi (attr store1 < 1.109 and attr store1 > 0.989)
    ((attr store1 < 4.491 and attr store1 > 4.431)
     and bondedto (attr store1 < 34.039 and attr store1 > 32.839))
6 6 0 peak 6555 volume 70796848 hpm1 33.439 ppm1 4.461 ppm2 1.049
!# peak 6556-----------------------------------------------
assi (attr store1 < 0.782 and attr store1 > 0.662)
    ((attr store1 < 4.486 and attr store1 > 4.426)
     and bondedto (attr store1 < 34.060 and attr store1 > 32.860))
6 6 0 peak 6556 volume 339932192 hpm1 33.460 ppm1 4.456 ppm2 0.722
!# peak 6557-----------------------------------------------
assi (attr store1 < 1.751 and attr store1 > 1.631)
    ((attr store1 < 4.389 and attr store1 > 4.329)
     and bondedto (attr store1 < 34.102 and attr store1 > 32.902))
6 6 0 peak 6557 volume 78084776 hpm1 33.502 ppm1 4.359 ppm2 1.691
!# peak 6558-----------------------------------------------
assi (attr store1 < 9.464 and attr store1 > 9.344)
    ((attr store1 < 4.555 and attr store1 > 4.495)
     and bondedto (attr store1 < 34.165 and attr store1 > 32.965))
6 6 0 peak 6558 volume 123774296 hpm1 33.565 ppm1 4.525 ppm2 9.404
!# peak 6559-----------------------------------------------
assi (attr store1 < 9.461 and attr store1 > 9.341)
    ((attr store1 < 4.442 and attr store1 > 4.382)
     and bondedto (attr store1 < 34.165 and attr store1 > 32.965))
6 6 0 peak 6559 volume 625814528 hpm1 33.565 ppm1 4.412 ppm2 9.401
!# peak 6560-----------------------------------------------
assi (attr store1 < 8.509 and attr store1 > 8.389)
    ((attr store1 < 4.373 and attr store1 > 4.313)
     and bondedto (attr store1 < 34.129 and attr store1 > 32.929))
6 6 0 peak 6560 volume 222265408 hpm1 33.529 ppm1 4.343 ppm2 8.449
!# peak 6561-----------------------------------------------
assi (attr store1 < 8.157 and attr store1 > 8.037)
    ((attr store1 < 4.370 and attr store1 > 4.310)
     and bondedto (attr store1 < 34.126 and attr store1 > 32.926))
6 6 0 peak 6561 volume 445007488 hpm1 33.526 ppm1 4.340 ppm2 8.097
!# peak 6562-----------------------------------------------
assi (attr store1 < 7.974 and attr store1 > 7.854)
    ((attr store1 < 4.491 and attr store1 > 4.431)
     and bondedto (attr store1 < 34.047 and attr store1 > 32.847))
6 6 0 peak 6562 volume 228156192 hpm1 33.447 ppm1 4.461 ppm2 7.914
!# peak 6563-----------------------------------------------
assi (attr store1 < 7.640 and attr store1 > 7.520)
    ((attr store1 < 4.557 and attr store1 > 4.497)
     and bondedto (attr store1 < 34.116 and attr store1 > 32.916))
6 6 0 peak 6563 volume 189009504 hpm1 33.516 ppm1 4.527 ppm2 7.580
!# peak 6564-----------------------------------------------
assi (attr store1 < 7.642 and attr store1 > 7.522)
    ((attr store1 < 4.415 and attr store1 > 4.355)
     and bondedto (attr store1 < 34.115 and attr store1 > 32.915))
6 6 0 peak 6564 volume 231372000 hpm1 33.515 ppm1 4.385 ppm2 7.582
!# peak 6566-----------------------------------------------
assi (attr store1 < 7.419 and attr store1 > 7.299)
    ((attr store1 < 4.442 and attr store1 > 4.382)
     and bondedto (attr store1 < 34.152 and attr store1 > 32.952))
6 6 0 peak 6566 volume 408689888 hpm1 33.552 ppm1 4.412 ppm2 7.359
!# peak 6567-----------------------------------------------
assi (attr store1 < 7.236 and attr store1 > 7.116)
    ((attr store1 < 4.489 and attr store1 > 4.429)
     and bondedto (attr store1 < 34.064 and attr store1 > 32.864))
6 6 0 peak 6567 volume 168072192 hpm1 33.464 ppm1 4.459 ppm2 7.176
!# peak 6568-----------------------------------------------
assi (attr store1 < 6.961 and attr store1 > 6.841)
    ((attr store1 < 4.530 and attr store1 > 4.470)
     and bondedto (attr store1 < 34.027 and attr store1 > 32.827))
6 6 0 peak 6568 volume 250329904 hpm1 33.427 ppm1 4.500 ppm2 6.901
!# peak 6569-----------------------------------------------
assi (attr store1 < 7.150 and attr store1 > 7.030)
    ((attr store1 < 4.262 and attr store1 > 4.202)
     and bondedto (attr store1 < 34.160 and attr store1 > 32.960))
6 6 0 peak 6569 volume 103540400 hpm1 33.560 ppm1 4.232 ppm2 7.090
!# peak 6570-----------------------------------------------
assi (attr store1 < 2.925 and attr store1 > 2.805)
    ((attr store1 < 0.914 and attr store1 > 0.854)
     and bondedto (attr store1 < 34.130 and attr store1 > 32.930))
6 6 0 peak 6570 volume 69460216 hpm1 33.530 ppm1 0.884 ppm2 2.865
!# peak 6571-----------------------------------------------
assi (attr store1 < 7.891 and attr store1 > 7.771)
    ((attr store1 < 1.373 and attr store1 > 1.313)
     and bondedto (attr store1 < 34.139 and attr store1 > 32.939))
6 6 0 peak 6571 volume 41753892 hpm1 33.539 ppm1 1.343 ppm2 7.831
!# peak 6572-----------------------------------------------
assi (attr store1 < 7.889 and attr store1 > 7.769)
    ((attr store1 < 0.895 and attr store1 > 0.835)
     and bondedto (attr store1 < 34.111 and attr store1 > 32.911))
6 6 0 peak 6572 volume 40535960 hpm1 33.511 ppm1 0.865 ppm2 7.829
!# peak 6573-----------------------------------------------
assi (attr store1 < 7.112 and attr store1 > 6.992)
    ((attr store1 < 0.915 and attr store1 > 0.855)
     and bondedto (attr store1 < 34.159 and attr store1 > 32.959))
6 6 0 peak 6573 volume 13760319 hpm1 33.559 ppm1 0.885 ppm2 7.052
!# peak 6574-----------------------------------------------
assi (attr store1 < 6.924 and attr store1 > 6.804)
    ((attr store1 < 1.369 and attr store1 > 1.309)
     and bondedto (attr store1 < 34.132 and attr store1 > 32.932))
6 6 0 peak 6574 volume 59007360 hpm1 33.532 ppm1 1.339 ppm2 6.864
!# peak 6575-----------------------------------------------
assi (attr store1 < 2.545 and attr store1 > 2.425)
    ((attr store1 < 2.361 and attr store1 > 2.301)
     and bondedto (attr store1 < 34.089 and attr store1 > 32.889))
6 6 0 peak 6575 volume 0.3180537e+10 hpm1 33.489 ppm1 2.331 ppm2 2.485
!# peak 6576-----------------------------------------------
assi (attr store1 < 2.426 and attr store1 > 2.306)
    ((attr store1 < 2.485 and attr store1 > 2.425)
     and bondedto (attr store1 < 34.128 and attr store1 > 32.928))
6 6 0 peak 6576 volume 0.5888971e+10 hpm1 33.528 ppm1 2.455 ppm2 2.366
!# peak 6577-----------------------------------------------
assi (attr store1 < 3.553 and attr store1 > 3.433)
    ((attr store1 < 1.371 and attr store1 > 1.311)
     and bondedto (attr store1 < 34.284 and attr store1 > 33.084))
6 6 0 peak 6577 volume 88612328 hpm1 33.684 ppm1 1.341 ppm2 3.493
!# peak 6578-----------------------------------------------
assi (attr store1 < 1.837 and attr store1 > 1.717)
    ((attr store1 < 3.284 and attr store1 > 3.224)
     and bondedto (attr store1 < 34.724 and attr store1 > 33.524))
6 6 0 peak 6578 volume 281581600 hpm1 34.124 ppm1 3.254 ppm2 1.777
!# peak 6579-----------------------------------------------
assi (attr store1 < 3.096 and attr store1 > 2.976)
    ((attr store1 < 4.174 and attr store1 > 4.114)
     and bondedto (attr store1 < 34.990 and attr store1 > 33.790))
6 6 0 peak 6579 volume 156590512 hpm1 34.390 ppm1 4.144 ppm2 3.036
!# peak 6580-----------------------------------------------
assi (attr store1 < 2.932 and attr store1 > 2.812)
    ((attr store1 < 4.214 and attr store1 > 4.154)
     and bondedto (attr store1 < 35.029 and attr store1 > 33.829))
6 6 0 peak 6580 volume 576073856 hpm1 34.429 ppm1 4.184 ppm2 2.872
!# peak 6583-----------------------------------------------
assi (attr store1 < 2.615 and attr store1 > 2.495)
    ((attr store1 < 3.261 and attr store1 > 3.201)
     and bondedto (attr store1 < 34.699 and attr store1 > 33.499))
6 6 0 peak 6583 volume 49787112 hpm1 34.099 ppm1 3.231 ppm2 2.555
!# peak 6584-----------------------------------------------
assi (attr store1 < 4.157 and attr store1 > 4.037)
    ((attr store1 < 2.553 and attr store1 > 2.493)
     and bondedto (attr store1 < 35.428 and attr store1 > 34.228))
6 6 0 peak 6584 volume 394878496 hpm1 34.828 ppm1 2.523 ppm2 4.097
!# peak 6585-----------------------------------------------
assi (attr store1 < 4.014 and attr store1 > 3.894)
    ((attr store1 < 2.553 and attr store1 > 2.493)
     and bondedto (attr store1 < 35.443 and attr store1 > 34.243))
6 6 0 peak 6585 volume 303314080 hpm1 34.843 ppm1 2.523 ppm2 3.954
!# peak 6586-----------------------------------------------
assi (attr store1 < 4.015 and attr store1 > 3.895)
    ((attr store1 < 2.285 and attr store1 > 2.225)
     and bondedto (attr store1 < 35.437 and attr store1 > 34.237))
6 6 0 peak 6586 volume 348293408 hpm1 34.837 ppm1 2.255 ppm2 3.955
!# peak 6587-----------------------------------------------
assi (attr store1 < 4.790 and attr store1 > 4.670)
    ((attr store1 < 2.305 and attr store1 > 2.245)
     and bondedto (attr store1 < 35.415 and attr store1 > 34.215))
6 6 0 peak 6587 volume 117832304 hpm1 34.815 ppm1 2.275 ppm2 4.730
!# peak 6590-----------------------------------------------
assi (attr store1 < 4.514 and attr store1 > 4.394)
    ((attr store1 < 2.326 and attr store1 > 2.266)
     and bondedto (attr store1 < 35.386 and attr store1 > 34.186))
6 6 0 peak 6590 volume 316808096 hpm1 34.786 ppm1 2.296 ppm2 4.454
!# peak 6595-----------------------------------------------
assi (attr store1 < 4.198 and attr store1 > 4.078)
    ((attr store1 < 2.306 and attr store1 > 2.246)
     and bondedto (attr store1 < 35.414 and attr store1 > 34.214))
6 6 0 peak 6595 volume 522483584 hpm1 34.814 ppm1 2.276 ppm2 4.138
!# peak 6596-----------------------------------------------
assi (attr store1 < 4.789 and attr store1 > 4.669)
    ((attr store1 < 2.550 and attr store1 > 2.490)
     and bondedto (attr store1 < 35.448 and attr store1 > 34.248))
6 6 0 peak 6596 volume 67390088 hpm1 34.848 ppm1 2.520 ppm2 4.729
!# peak 6597-----------------------------------------------
assi (attr store1 < 0.600 and attr store1 > 0.480)
    ((attr store1 < 2.301 and attr store1 > 2.241)
     and bondedto (attr store1 < 35.426 and attr store1 > 34.226))
6 6 0 peak 6597 volume 95918784 hpm1 34.826 ppm1 2.271 ppm2 0.540
!# peak 6598-----------------------------------------------
assi (attr store1 < 0.836 and attr store1 > 0.716)
    ((attr store1 < 2.065 and attr store1 > 2.005)
     and bondedto (attr store1 < 35.395 and attr store1 > 34.195))
6 6 0 peak 6598 volume 74282432 hpm1 34.795 ppm1 2.035 ppm2 0.776
!# peak 6599-----------------------------------------------
assi (attr store1 < 2.511 and attr store1 > 2.391)
    ((attr store1 < 2.058 and attr store1 > 1.998)
     and bondedto (attr store1 < 35.412 and attr store1 > 34.212))
6 6 0 peak 6599 volume 838840704 hpm1 34.812 ppm1 2.028 ppm2 2.451
!# peak 6600-----------------------------------------------
assi (attr store1 < 0.831 and attr store1 > 0.711)
    ((attr store1 < 2.557 and attr store1 > 2.497)
     and bondedto (attr store1 < 35.583 and attr store1 > 34.383))
6 6 0 peak 6600 volume 88555536 hpm1 34.983 ppm1 2.527 ppm2 0.771
!# peak 6601-----------------------------------------------
assi (attr store1 < 6.993 and attr store1 > 6.873)
    ((attr store1 < 4.214 and attr store1 > 4.154)
     and bondedto (attr store1 < 35.013 and attr store1 > 33.813))
6 6 0 peak 6601 volume 40876372 hpm1 34.413 ppm1 4.184 ppm2 6.933
!# peak 6605-----------------------------------------------
assi (attr store1 < 7.466 and attr store1 > 7.346)
    ((attr store1 < 4.310 and attr store1 > 4.250)
     and bondedto (attr store1 < 35.324 and attr store1 > 34.124))
6 6 0 peak 6605 volume 357184704 hpm1 34.724 ppm1 4.280 ppm2 7.406
!# peak 6606-----------------------------------------------
assi (attr store1 < 8.777 and attr store1 > 8.657)
    ((attr store1 < 4.309 and attr store1 > 4.249)
     and bondedto (attr store1 < 35.310 and attr store1 > 34.110))
6 6 0 peak 6606 volume 118234096 hpm1 34.710 ppm1 4.279 ppm2 8.717
!# peak 6607-----------------------------------------------
assi (attr store1 < 2.246 and attr store1 > 2.126)
    ((attr store1 < 4.122 and attr store1 > 4.062)
     and bondedto (attr store1 < 36.101 and attr store1 > 34.901))
6 6 0 peak 6607 volume 792759872 hpm1 35.501 ppm1 4.092 ppm2 2.186
!# peak 6608-----------------------------------------------
assi (attr store1 < 2.108 and attr store1 > 1.988)
    ((attr store1 < 4.122 and attr store1 > 4.062)
     and bondedto (attr store1 < 36.102 and attr store1 > 34.902))
6 6 0 peak 6608 volume 1010041024 hpm1 35.502 ppm1 4.092 ppm2 2.048
!# peak 6610-----------------------------------------------
assi (attr store1 < 3.232 and attr store1 > 3.112)
    ((attr store1 < 4.414 and attr store1 > 4.354)
     and bondedto (attr store1 < 36.050 and attr store1 > 34.850))
6 6 0 peak 6610 volume 382588704 hpm1 35.450 ppm1 4.384 ppm2 3.172
!# peak 6611-----------------------------------------------
assi (attr store1 < 2.964 and attr store1 > 2.844)
    ((attr store1 < 4.414 and attr store1 > 4.354)
     and bondedto (attr store1 < 36.058 and attr store1 > 34.858))
6 6 0 peak 6611 volume 229572000 hpm1 35.458 ppm1 4.384 ppm2 2.904
!# peak 6612-----------------------------------------------
assi (attr store1 < 2.658 and attr store1 > 2.538)
    ((attr store1 < 4.413 and attr store1 > 4.353)
     and bondedto (attr store1 < 36.060 and attr store1 > 34.860))
6 6 0 peak 6612 volume 95115856 hpm1 35.460 ppm1 4.383 ppm2 2.598
!# peak 6615-----------------------------------------------
assi (attr store1 < 6.787 and attr store1 > 6.667)
    ((attr store1 < 2.297 and attr store1 > 2.237)
     and bondedto (attr store1 < 35.723 and attr store1 > 34.523))
6 6 0 peak 6615 volume 30742440 hpm1 35.123 ppm1 2.267 ppm2 6.727
!# peak 6616-----------------------------------------------
assi (attr store1 < 7.470 and attr store1 > 7.350)
    ((attr store1 < 2.418 and attr store1 > 2.358)
     and bondedto (attr store1 < 35.808 and attr store1 > 34.608))
6 6 0 peak 6616 volume 121472904 hpm1 35.208 ppm1 2.388 ppm2 7.410
!# peak 6617-----------------------------------------------
assi (attr store1 < 6.965 and attr store1 > 6.845)
    ((attr store1 < 2.420 and attr store1 > 2.360)
     and bondedto (attr store1 < 35.970 and attr store1 > 34.770))
6 6 0 peak 6617 volume 22453470 hpm1 35.370 ppm1 2.390 ppm2 6.905
!# peak 6621-----------------------------------------------
assi (attr store1 < 4.409 and attr store1 > 4.289)
    ((attr store1 < 2.591 and attr store1 > 2.531)
     and bondedto (attr store1 < 35.962 and attr store1 > 34.762))
6 6 0 peak 6621 volume 13895310 hpm1 35.362 ppm1 2.561 ppm2 4.349
!# peak 6623-----------------------------------------------
assi (attr store1 < 4.385 and attr store1 > 4.265)
    ((attr store1 < 2.421 and attr store1 > 2.361)
     and bondedto (attr store1 < 35.962 and attr store1 > 34.762))
6 6 0 peak 6623 volume 10320310 hpm1 35.362 ppm1 2.391 ppm2 4.325
!# peak 6624-----------------------------------------------
assi (attr store1 < 4.234 and attr store1 > 4.114)
    ((attr store1 < 2.576 and attr store1 > 2.516)
     and bondedto (attr store1 < 35.926 and attr store1 > 34.726))
6 6 0 peak 6624 volume 130263808 hpm1 35.326 ppm1 2.546 ppm2 4.174
!# peak 6625-----------------------------------------------
assi (attr store1 < 4.243 and attr store1 > 4.123)
    ((attr store1 < 2.438 and attr store1 > 2.378)
     and bondedto (attr store1 < 35.960 and attr store1 > 34.760))
6 6 0 peak 6625 volume 63546080 hpm1 35.360 ppm1 2.408 ppm2 4.183
!# peak 6626-----------------------------------------------
assi (attr store1 < 4.114 and attr store1 > 3.994)
    ((attr store1 < 2.349 and attr store1 > 2.289)
     and bondedto (attr store1 < 36.076 and attr store1 > 34.876))
6 6 0 peak 6626 volume 519999520 hpm1 35.476 ppm1 2.319 ppm2 4.054
!# peak 6627-----------------------------------------------
assi (attr store1 < 4.053 and attr store1 > 3.933)
    ((attr store1 < 2.578 and attr store1 > 2.518)
     and bondedto (attr store1 < 35.942 and attr store1 > 34.742))
6 6 0 peak 6627 volume 391044800 hpm1 35.342 ppm1 2.548 ppm2 3.993
!# peak 6628-----------------------------------------------
assi (attr store1 < 4.058 and attr store1 > 3.938)
    ((attr store1 < 2.421 and attr store1 > 2.361)
     and bondedto (attr store1 < 35.987 and attr store1 > 34.787))
6 6 0 peak 6628 volume 376831104 hpm1 35.387 ppm1 2.391 ppm2 3.998
!# peak 6630-----------------------------------------------
assi (attr store1 < 7.470 and attr store1 > 7.350)
    ((attr store1 < 4.323 and attr store1 > 4.263)
     and bondedto (attr store1 < 35.862 and attr store1 > 34.662))
6 6 0 peak 6630 volume 326470688 hpm1 35.262 ppm1 4.293 ppm2 7.410
!# peak 6631-----------------------------------------------
assi (attr store1 < 7.313 and attr store1 > 7.193)
    ((attr store1 < 4.403 and attr store1 > 4.343)
     and bondedto (attr store1 < 36.069 and attr store1 > 34.869))
6 6 0 peak 6631 volume 200546208 hpm1 35.469 ppm1 4.373 ppm2 7.253
!# peak 6632-----------------------------------------------
assi (attr store1 < 7.199 and attr store1 > 7.079)
    ((attr store1 < 4.414 and attr store1 > 4.354)
     and bondedto (attr store1 < 36.193 and attr store1 > 34.993))
6 6 0 peak 6632 volume 228715104 hpm1 35.593 ppm1 4.384 ppm2 7.139
!# peak 6633-----------------------------------------------
assi (attr store1 < 4.012 and attr store1 > 3.892)
    ((attr store1 < 4.442 and attr store1 > 4.382)
     and bondedto (attr store1 < 36.765 and attr store1 > 35.565))
6 6 0 peak 6633 volume 129567992 hpm1 36.165 ppm1 4.412 ppm2 3.952
!# peak 6634-----------------------------------------------
assi (attr store1 < 3.828 and attr store1 > 3.708)
    ((attr store1 < 4.445 and attr store1 > 4.385)
     and bondedto (attr store1 < 36.778 and attr store1 > 35.578))
6 6 0 peak 6634 volume 433851008 hpm1 36.178 ppm1 4.415 ppm2 3.768
!# peak 6635-----------------------------------------------
assi (attr store1 < 3.696 and attr store1 > 3.576)
    ((attr store1 < 4.444 and attr store1 > 4.384)
     and bondedto (attr store1 < 36.768 and attr store1 > 35.568))
6 6 0 peak 6635 volume 593142976 hpm1 36.168 ppm1 4.414 ppm2 3.636
!# peak 6636-----------------------------------------------
assi (attr store1 < 1.201 and attr store1 > 1.081)
    ((attr store1 < 4.445 and attr store1 > 4.385)
     and bondedto (attr store1 < 36.762 and attr store1 > 35.562))
6 6 0 peak 6636 volume 166199200 hpm1 36.162 ppm1 4.415 ppm2 1.141
!# peak 6637-----------------------------------------------
assi (attr store1 < 2.286 and attr store1 > 2.166)
    ((attr store1 < 2.593 and attr store1 > 2.533)
     and bondedto (attr store1 < 36.110 and attr store1 > 34.910))
6 6 0 peak 6637 volume 1795228032 hpm1 35.510 ppm1 2.563 ppm2 2.226
!# peak 6638-----------------------------------------------
assi (attr store1 < 2.281 and attr store1 > 2.161)
    ((attr store1 < 2.435 and attr store1 > 2.375)
     and bondedto (attr store1 < 36.104 and attr store1 > 34.904))
6 6 0 peak 6638 volume 0.5938575e+10 hpm1 35.504 ppm1 2.405 ppm2 2.221
!# peak 6639-----------------------------------------------
assi (attr store1 < 4.504 and attr store1 > 4.384)
    ((attr store1 < 0.641 and attr store1 > 0.581)
     and bondedto (attr store1 < 36.870 and attr store1 > 35.670))
6 6 0 peak 6639 volume 147712608 hpm1 36.270 ppm1 0.611 ppm2 4.444
!# peak 6640-----------------------------------------------
assi (attr store1 < 4.020 and attr store1 > 3.900)
    ((attr store1 < 0.647 and attr store1 > 0.587)
     and bondedto (attr store1 < 36.883 and attr store1 > 35.683))
6 6 0 peak 6640 volume 15599971 hpm1 36.283 ppm1 0.617 ppm2 3.960
!# peak 6641-----------------------------------------------
assi (attr store1 < 1.926 and attr store1 > 1.806)
    ((attr store1 < 4.327 and attr store1 > 4.267)
     and bondedto (attr store1 < 37.132 and attr store1 > 35.932))
6 6 0 peak 6641 volume 323687104 hpm1 36.532 ppm1 4.297 ppm2 1.866
!# peak 6642-----------------------------------------------
assi (attr store1 < 3.410 and attr store1 > 3.290)
    ((attr store1 < 4.318 and attr store1 > 4.258)
     and bondedto (attr store1 < 37.173 and attr store1 > 35.973))
6 6 0 peak 6642 volume 526036928 hpm1 36.573 ppm1 4.288 ppm2 3.350
!# peak 6643-----------------------------------------------
assi (attr store1 < 8.078 and attr store1 > 7.958)
    ((attr store1 < 4.326 and attr store1 > 4.266)
     and bondedto (attr store1 < 37.149 and attr store1 > 35.949))
6 6 0 peak 6643 volume 98503336 hpm1 36.549 ppm1 4.296 ppm2 8.018
!# peak 6644-----------------------------------------------
assi (attr store1 < 7.872 and attr store1 > 7.752)
    ((attr store1 < 4.324 and attr store1 > 4.264)
     and bondedto (attr store1 < 37.202 and attr store1 > 36.002))
6 6 0 peak 6644 volume 232018000 hpm1 36.602 ppm1 4.294 ppm2 7.812
!# peak 6645-----------------------------------------------
assi (attr store1 < 7.159 and attr store1 > 7.039)
    ((attr store1 < 4.324 and attr store1 > 4.264)
     and bondedto (attr store1 < 37.181 and attr store1 > 35.981))
6 6 0 peak 6645 volume 114742104 hpm1 36.581 ppm1 4.294 ppm2 7.099
!# peak 6646-----------------------------------------------
assi (attr store1 < 7.744 and attr store1 > 7.624)
    ((attr store1 < 3.240 and attr store1 > 3.180)
     and bondedto (attr store1 < 37.670 and attr store1 > 36.470))
6 6 0 peak 6646 volume 249410592 hpm1 37.070 ppm1 3.210 ppm2 7.684
!# peak 6647-----------------------------------------------
assi (attr store1 < 7.020 and attr store1 > 6.900)
    ((attr store1 < 3.240 and attr store1 > 3.180)
     and bondedto (attr store1 < 37.671 and attr store1 > 36.471))
6 6 0 peak 6647 volume 135053104 hpm1 37.071 ppm1 3.210 ppm2 6.960
!# peak 6648-----------------------------------------------
assi (attr store1 < 1.960 and attr store1 > 1.840)
    ((attr store1 < 4.012 and attr store1 > 3.952)
     and bondedto (attr store1 < 37.396 and attr store1 > 36.196))
6 6 0 peak 6648 volume 445137696 hpm1 36.796 ppm1 3.982 ppm2 1.900
!# peak 6649-----------------------------------------------
assi (attr store1 < 1.509 and attr store1 > 1.389)
    ((attr store1 < 4.013 and attr store1 > 3.953)
     and bondedto (attr store1 < 37.409 and attr store1 > 36.209))
6 6 0 peak 6649 volume 346491616 hpm1 36.809 ppm1 3.983 ppm2 1.449
!# peak 6650-----------------------------------------------
assi (attr store1 < 0.835 and attr store1 > 0.715)
    ((attr store1 < 4.012 and attr store1 > 3.952)
     and bondedto (attr store1 < 37.405 and attr store1 > 36.205))
6 6 0 peak 6650 volume 652944320 hpm1 36.805 ppm1 3.982 ppm2 0.775
!# peak 6651-----------------------------------------------
assi (attr store1 < 1.835 and attr store1 > 1.715)
    ((attr store1 < 4.055 and attr store1 > 3.995)
     and bondedto (attr store1 < 38.058 and attr store1 > 36.858))
6 6 0 peak 6651 volume 887639872 hpm1 37.458 ppm1 4.025 ppm2 1.775
!# peak 6653-----------------------------------------------
assi (attr store1 < 0.922 and attr store1 > 0.802)
    ((attr store1 < 3.241 and attr store1 > 3.181)
     and bondedto (attr store1 < 37.553 and attr store1 > 36.353))
6 6 0 peak 6653 volume 126101808 hpm1 36.953 ppm1 3.211 ppm2 0.862
!# peak 6654-----------------------------------------------
assi (attr store1 < 4.061 and attr store1 > 3.941)
    ((attr store1 < 2.851 and attr store1 > 2.791)
     and bondedto (attr store1 < 37.542 and attr store1 > 36.342))
6 6 0 peak 6654 volume 69218264 hpm1 36.942 ppm1 2.821 ppm2 4.001
!# peak 6655-----------------------------------------------
assi (attr store1 < 3.293 and attr store1 > 3.173)
    ((attr store1 < 4.028 and attr store1 > 3.968)
     and bondedto (attr store1 < 37.712 and attr store1 > 36.512))
6 6 0 peak 6655 volume 403826208 hpm1 37.112 ppm1 3.998 ppm2 3.233
!# peak 6656-----------------------------------------------
assi (attr store1 < 2.199 and attr store1 > 2.079)
    ((attr store1 < 3.896 and attr store1 > 3.836)
     and bondedto (attr store1 < 37.085 and attr store1 > 35.885))
6 6 0 peak 6656 volume 519233120 hpm1 36.485 ppm1 3.866 ppm2 2.139
!# peak 6657-----------------------------------------------
assi (attr store1 < 1.609 and attr store1 > 1.489)
    ((attr store1 < 3.895 and attr store1 > 3.835)
     and bondedto (attr store1 < 37.082 and attr store1 > 35.882))
6 6 0 peak 6657 volume 405701920 hpm1 36.482 ppm1 3.865 ppm2 1.549
!# peak 6658-----------------------------------------------
assi (attr store1 < 1.787 and attr store1 > 1.667)
    ((attr store1 < 4.013 and attr store1 > 3.953)
     and bondedto (attr store1 < 37.520 and attr store1 > 36.320))
6 6 0 peak 6658 volume 333767200 hpm1 36.920 ppm1 3.983 ppm2 1.727
!# peak 6659-----------------------------------------------
assi (attr store1 < 0.653 and attr store1 > 0.533)
    ((attr store1 < 4.119 and attr store1 > 4.059)
     and bondedto (attr store1 < 37.476 and attr store1 > 36.276))
6 6 0 peak 6659 volume 590772224 hpm1 36.876 ppm1 4.089 ppm2 0.593
!# peak 6660-----------------------------------------------
assi (attr store1 < 2.238 and attr store1 > 2.118)
    ((attr store1 < 4.322 and attr store1 > 4.262)
     and bondedto (attr store1 < 37.289 and attr store1 > 36.089))
6 6 0 peak 6660 volume 6449843 hpm1 36.689 ppm1 4.292 ppm2 2.178
!# peak 6661-----------------------------------------------
assi (attr store1 < 1.438 and attr store1 > 1.318)
    ((attr store1 < 4.053 and attr store1 > 3.993)
     and bondedto (attr store1 < 38.018 and attr store1 > 36.818))
6 6 0 peak 6661 volume 954894592 hpm1 37.418 ppm1 4.023 ppm2 1.378
!# peak 6662-----------------------------------------------
assi (attr store1 < 2.640 and attr store1 > 2.520)
    ((attr store1 < 4.028 and attr store1 > 3.968)
     and bondedto (attr store1 < 37.856 and attr store1 > 36.656))
6 6 0 peak 6662 volume 49617760 hpm1 37.256 ppm1 3.998 ppm2 2.580
!# peak 6663-----------------------------------------------
assi (attr store1 < 3.293 and attr store1 > 3.173)
    ((attr store1 < 4.324 and attr store1 > 4.264)
     and bondedto (attr store1 < 37.445 and attr store1 > 36.245))
6 6 0 peak 6663 volume 583068224 hpm1 36.845 ppm1 4.294 ppm2 3.233
!# peak 6664-----------------------------------------------
assi (attr store1 < 1.923 and attr store1 > 1.803)
    ((attr store1 < 3.240 and attr store1 > 3.180)
     and bondedto (attr store1 < 37.673 and attr store1 > 36.473))
6 6 0 peak 6664 volume 113931400 hpm1 37.073 ppm1 3.210 ppm2 1.863
!# peak 6665-----------------------------------------------
assi (attr store1 < 1.929 and attr store1 > 1.809)
    ((attr store1 < 2.847 and attr store1 > 2.787)
     and bondedto (attr store1 < 37.662 and attr store1 > 36.462))
6 6 0 peak 6665 volume 124391104 hpm1 37.062 ppm1 2.817 ppm2 1.869
!# peak 6666-----------------------------------------------
assi (attr store1 < 1.508 and attr store1 > 1.388)
    ((attr store1 < 3.255 and attr store1 > 3.195)
     and bondedto (attr store1 < 37.675 and attr store1 > 36.475))
6 6 0 peak 6666 volume 106665800 hpm1 37.075 ppm1 3.225 ppm2 1.448
!# peak 6667-----------------------------------------------
assi (attr store1 < 1.511 and attr store1 > 1.391)
    ((attr store1 < 2.847 and attr store1 > 2.787)
     and bondedto (attr store1 < 37.687 and attr store1 > 36.487))
6 6 0 peak 6667 volume 69101808 hpm1 37.087 ppm1 2.817 ppm2 1.451
!# peak 6668-----------------------------------------------
assi (attr store1 < 0.704 and attr store1 > 0.584)
    ((attr store1 < 2.852 and attr store1 > 2.792)
     and bondedto (attr store1 < 37.657 and attr store1 > 36.457))
6 6 0 peak 6668 volume 25034220 hpm1 37.057 ppm1 2.822 ppm2 0.644
!# peak 6669-----------------------------------------------
assi (attr store1 < 4.790 and attr store1 > 4.670)
    ((attr store1 < 4.017 and attr store1 > 3.957)
     and bondedto (attr store1 < 37.687 and attr store1 > 36.487))
6 6 0 peak 6669 volume 6960877 hpm1 37.087 ppm1 3.987 ppm2 4.730
!# peak 6670-----------------------------------------------
assi (attr store1 < 4.382 and attr store1 > 4.262)
    ((attr store1 < 4.029 and attr store1 > 3.969)
     and bondedto (attr store1 < 37.644 and attr store1 > 36.444))
6 6 0 peak 6670 volume 688537024 hpm1 37.044 ppm1 3.999 ppm2 4.322
!# peak 6671-----------------------------------------------
assi (attr store1 < 8.503 and attr store1 > 8.383)
    ((attr store1 < 4.014 and attr store1 > 3.954)
     and bondedto (attr store1 < 37.543 and attr store1 > 36.343))
6 6 0 peak 6671 volume 99718176 hpm1 36.943 ppm1 3.984 ppm2 8.443
!# peak 6672-----------------------------------------------
assi (attr store1 < 8.386 and attr store1 > 8.266)
    ((attr store1 < 4.118 and attr store1 > 4.058)
     and bondedto (attr store1 < 37.495 and attr store1 > 36.295))
6 6 0 peak 6672 volume 73451344 hpm1 36.895 ppm1 4.088 ppm2 8.326
!# peak 6673-----------------------------------------------
assi (attr store1 < 7.386 and attr store1 > 7.266)
    ((attr store1 < 4.026 and attr store1 > 3.966)
     and bondedto (attr store1 < 37.542 and attr store1 > 36.342))
6 6 0 peak 6673 volume 89237848 hpm1 36.942 ppm1 3.996 ppm2 7.326
!# peak 6674-----------------------------------------------
assi (attr store1 < 8.512 and attr store1 > 8.392)
    ((attr store1 < 3.241 and attr store1 > 3.181)
     and bondedto (attr store1 < 37.658 and attr store1 > 36.458))
6 6 0 peak 6674 volume 12157040 hpm1 37.058 ppm1 3.211 ppm2 8.452
!# peak 6675-----------------------------------------------
assi (attr store1 < 1.192 and attr store1 > 1.072)
    ((attr store1 < 0.724 and attr store1 > 0.664)
     and bondedto (attr store1 < 37.834 and attr store1 > 36.634))
6 6 0 peak 6675 volume 765441472 hpm1 37.234 ppm1 0.694 ppm2 1.132
!# peak 6676-----------------------------------------------
assi (attr store1 < 1.836 and attr store1 > 1.716)
    ((attr store1 < 0.725 and attr store1 > 0.665)
     and bondedto (attr store1 < 37.860 and attr store1 > 36.660))
6 6 0 peak 6676 volume 102791400 hpm1 37.260 ppm1 0.695 ppm2 1.776
!# peak 6677-----------------------------------------------
assi (attr store1 < 2.148 and attr store1 > 2.028)
    ((attr store1 < 0.728 and attr store1 > 0.668)
     and bondedto (attr store1 < 37.832 and attr store1 > 36.632))
6 6 0 peak 6677 volume 111945704 hpm1 37.232 ppm1 0.698 ppm2 2.088
!# peak 6678-----------------------------------------------
assi (attr store1 < 2.738 and attr store1 > 2.618)
    ((attr store1 < 0.721 and attr store1 > 0.661)
     and bondedto (attr store1 < 37.805 and attr store1 > 36.605))
6 6 0 peak 6678 volume 4260650 hpm1 37.205 ppm1 0.691 ppm2 2.678
!# peak 6680-----------------------------------------------
assi (attr store1 < 7.473 and attr store1 > 7.353)
    ((attr store1 < 0.731 and attr store1 > 0.671)
     and bondedto (attr store1 < 37.838 and attr store1 > 36.638))
6 6 0 peak 6680 volume 0.4485368e+06 hpm1 37.238 ppm1 0.701 ppm2 7.413
!# peak 6682-----------------------------------------------
assi (attr store1 < 8.017 and attr store1 > 7.897)
    ((attr store1 < 0.846 and attr store1 > 0.786)
     and bondedto (attr store1 < 37.842 and attr store1 > 36.642))
6 6 0 peak 6682 volume 13831110 hpm1 37.242 ppm1 0.816 ppm2 7.957
!# peak 6683-----------------------------------------------
assi (attr store1 < 4.964 and attr store1 > 4.844)
    ((attr store1 < 2.850 and attr store1 > 2.790)
     and bondedto (attr store1 < 37.938 and attr store1 > 36.738))
6 6 0 peak 6683 volume 232245504 hpm1 37.338 ppm1 2.820 ppm2 4.904
!# peak 6684-----------------------------------------------
assi (attr store1 < 1.648 and attr store1 > 1.528)
    ((attr store1 < 3.234 and attr store1 > 3.174)
     and bondedto (attr store1 < 38.572 and attr store1 > 37.372))
6 6 0 peak 6684 volume 290573376 hpm1 37.972 ppm1 3.204 ppm2 1.588
!# peak 6685-----------------------------------------------
assi (attr store1 < 1.419 and attr store1 > 1.299)
    ((attr store1 < 2.460 and attr store1 > 2.400)
     and bondedto (attr store1 < 38.573 and attr store1 > 37.373))
6 6 0 peak 6685 volume 158439504 hpm1 37.973 ppm1 2.430 ppm2 1.359
!# peak 6686-----------------------------------------------
assi (attr store1 < 1.831 and attr store1 > 1.711)
    ((attr store1 < 2.458 and attr store1 > 2.398)
     and bondedto (attr store1 < 38.653 and attr store1 > 37.453))
6 6 0 peak 6686 volume 52989428 hpm1 38.053 ppm1 2.428 ppm2 1.771
!# peak 6687-----------------------------------------------
assi (attr store1 < 1.054 and attr store1 > 0.934)
    ((attr store1 < 2.167 and attr store1 > 2.107)
     and bondedto (attr store1 < 38.227 and attr store1 > 37.027))
6 6 0 peak 6687 volume 284734688 hpm1 37.627 ppm1 2.137 ppm2 0.994
!# peak 6688-----------------------------------------------
assi (attr store1 < 1.700 and attr store1 > 1.580)
    ((attr store1 < 2.168 and attr store1 > 2.108)
     and bondedto (attr store1 < 38.223 and attr store1 > 37.023))
6 6 0 peak 6688 volume 590638528 hpm1 37.623 ppm1 2.138 ppm2 1.640
!# peak 6689-----------------------------------------------
assi (attr store1 < 1.611 and attr store1 > 1.491)
    ((attr store1 < 2.168 and attr store1 > 2.108)
     and bondedto (attr store1 < 38.219 and attr store1 > 37.019))
6 6 0 peak 6689 volume 182660800 hpm1 37.619 ppm1 2.138 ppm2 1.551
!# peak 6690-----------------------------------------------
assi (attr store1 < 0.706 and attr store1 > 0.586)
    ((attr store1 < 1.966 and attr store1 > 1.906)
     and bondedto (attr store1 < 38.589 and attr store1 > 37.389))
6 6 0 peak 6690 volume 42711200 hpm1 37.989 ppm1 1.936 ppm2 0.646
!# peak 6691-----------------------------------------------
assi (attr store1 < 1.209 and attr store1 > 1.089)
    ((attr store1 < 1.964 and attr store1 > 1.904)
     and bondedto (attr store1 < 38.585 and attr store1 > 37.385))
6 6 0 peak 6691 volume 189725504 hpm1 37.985 ppm1 1.934 ppm2 1.149
!# peak 6692-----------------------------------------------
assi (attr store1 < 4.965 and attr store1 > 4.845)
    ((attr store1 < 1.965 and attr store1 > 1.905)
     and bondedto (attr store1 < 38.577 and attr store1 > 37.377))
6 6 0 peak 6692 volume 34721292 hpm1 37.977 ppm1 1.935 ppm2 4.905
!# peak 6693-----------------------------------------------
assi (attr store1 < 4.021 and attr store1 > 3.901)
    ((attr store1 < 2.171 and attr store1 > 2.111)
     and bondedto (attr store1 < 38.378 and attr store1 > 37.178))
6 6 0 peak 6693 volume 157732800 hpm1 37.778 ppm1 2.141 ppm2 3.961
!# peak 6694-----------------------------------------------
assi (attr store1 < 4.015 and attr store1 > 3.895)
    ((attr store1 < 2.599 and attr store1 > 2.539)
     and bondedto (attr store1 < 38.374 and attr store1 > 37.174))
6 6 0 peak 6694 volume 144192688 hpm1 37.774 ppm1 2.569 ppm2 3.955
!# peak 6695-----------------------------------------------
assi (attr store1 < 3.658 and attr store1 > 3.538)
    ((attr store1 < 1.708 and attr store1 > 1.648)
     and bondedto (attr store1 < 38.209 and attr store1 > 37.009))
6 6 0 peak 6695 volume 151837792 hpm1 37.609 ppm1 1.678 ppm2 3.598
!# peak 6696-----------------------------------------------
assi (attr store1 < 3.059 and attr store1 > 2.939)
    ((attr store1 < 1.712 and attr store1 > 1.652)
     and bondedto (attr store1 < 38.184 and attr store1 > 36.984))
6 6 0 peak 6696 volume 32601980 hpm1 37.584 ppm1 1.682 ppm2 2.999
!# peak 6698-----------------------------------------------
assi (attr store1 < 2.692 and attr store1 > 2.572)
    ((attr store1 < 1.709 and attr store1 > 1.649)
     and bondedto (attr store1 < 38.185 and attr store1 > 36.985))
6 6 0 peak 6698 volume 26798370 hpm1 37.585 ppm1 1.679 ppm2 2.632
!# peak 6699-----------------------------------------------
assi (attr store1 < 2.431 and attr store1 > 2.311)
    ((attr store1 < 1.713 and attr store1 > 1.653)
     and bondedto (attr store1 < 38.203 and attr store1 > 37.003))
6 6 0 peak 6699 volume 10627470 hpm1 37.603 ppm1 1.683 ppm2 2.371
!# peak 6700-----------------------------------------------
assi (attr store1 < 7.164 and attr store1 > 7.044)
    ((attr store1 < 3.237 and attr store1 > 3.177)
     and bondedto (attr store1 < 38.398 and attr store1 > 37.198))
6 6 0 peak 6700 volume 533852800 hpm1 37.798 ppm1 3.207 ppm2 7.104
!# peak 6701-----------------------------------------------
assi (attr store1 < 7.934 and attr store1 > 7.814)
    ((attr store1 < 2.169 and attr store1 > 2.109)
     and bondedto (attr store1 < 38.375 and attr store1 > 37.175))
6 6 0 peak 6701 volume 193661296 hpm1 37.775 ppm1 2.139 ppm2 7.874
!# peak 6702-----------------------------------------------
assi (attr store1 < 7.931 and attr store1 > 7.811)
    ((attr store1 < 2.600 and attr store1 > 2.540)
     and bondedto (attr store1 < 38.373 and attr store1 > 37.173))
6 6 0 peak 6702 volume 62411720 hpm1 37.773 ppm1 2.570 ppm2 7.871
!# peak 6704-----------------------------------------------
assi (attr store1 < 4.016 and attr store1 > 3.896)
    ((attr store1 < 4.232 and attr store1 > 4.172)
     and bondedto (attr store1 < 38.471 and attr store1 > 37.271))
6 6 0 peak 6704 volume 1016281984 hpm1 37.871 ppm1 4.202 ppm2 3.956
!# peak 6709-----------------------------------------------
assi (attr store1 < 3.285 and attr store1 > 3.165)
    ((attr store1 < 4.237 and attr store1 > 4.177)
     and bondedto (attr store1 < 38.454 and attr store1 > 37.254))
6 6 0 peak 6709 volume 391061824 hpm1 37.854 ppm1 4.207 ppm2 3.225
!# peak 6711-----------------------------------------------
assi (attr store1 < 2.613 and attr store1 > 2.493)
    ((attr store1 < 4.280 and attr store1 > 4.220)
     and bondedto (attr store1 < 38.482 and attr store1 > 37.282))
6 6 0 peak 6711 volume 252364192 hpm1 37.882 ppm1 4.250 ppm2 2.553
!# peak 6712-----------------------------------------------
assi (attr store1 < 8.697 and attr store1 > 8.577)
    ((attr store1 < 4.281 and attr store1 > 4.221)
     and bondedto (attr store1 < 38.470 and attr store1 > 37.270))
6 6 0 peak 6712 volume 223022512 hpm1 37.870 ppm1 4.251 ppm2 8.637
!# peak 6713-----------------------------------------------
assi (attr store1 < 8.339 and attr store1 > 8.219)
    ((attr store1 < 4.231 and attr store1 > 4.171)
     and bondedto (attr store1 < 38.450 and attr store1 > 37.250))
6 6 0 peak 6713 volume 61340232 hpm1 37.850 ppm1 4.201 ppm2 8.279
!# peak 6714-----------------------------------------------
assi (attr store1 < 7.833 and attr store1 > 7.713)
    ((attr store1 < 4.234 and attr store1 > 4.174)
     and bondedto (attr store1 < 38.464 and attr store1 > 37.264))
6 6 0 peak 6714 volume 170843792 hpm1 37.864 ppm1 4.204 ppm2 7.773
!# peak 6715-----------------------------------------------
assi (attr store1 < 3.423 and attr store1 > 3.303)
    ((attr store1 < 4.276 and attr store1 > 4.216)
     and bondedto (attr store1 < 38.511 and attr store1 > 37.311))
6 6 0 peak 6715 volume 300797600 hpm1 37.911 ppm1 4.246 ppm2 3.363
!# peak 6716-----------------------------------------------
assi (attr store1 < 3.703 and attr store1 > 3.583)
    ((attr store1 < 4.279 and attr store1 > 4.219)
     and bondedto (attr store1 < 38.523 and attr store1 > 37.323))
6 6 0 peak 6716 volume 254631104 hpm1 37.923 ppm1 4.249 ppm2 3.643
!# peak 6717-----------------------------------------------
assi (attr store1 < 7.940 and attr store1 > 7.820)
    ((attr store1 < 4.281 and attr store1 > 4.221)
     and bondedto (attr store1 < 38.351 and attr store1 > 37.151))
6 6 0 peak 6717 volume 188984208 hpm1 37.751 ppm1 4.251 ppm2 7.880
!# peak 6718-----------------------------------------------
assi (attr store1 < 0.828 and attr store1 > 0.708)
    ((attr store1 < 4.062 and attr store1 > 4.002)
     and bondedto (attr store1 < 38.002 and attr store1 > 36.802))
6 6 0 peak 6718 volume 1221273984 hpm1 37.402 ppm1 4.032 ppm2 0.768
!# peak 6719-----------------------------------------------
assi (attr store1 < 0.835 and attr store1 > 0.715)
    ((attr store1 < 4.279 and attr store1 > 4.219)
     and bondedto (attr store1 < 38.617 and attr store1 > 37.417))
6 6 0 peak 6719 volume 245105504 hpm1 38.017 ppm1 4.249 ppm2 0.775
!# peak 6720-----------------------------------------------
assi (attr store1 < 0.613 and attr store1 > 0.493)
    ((attr store1 < 4.262 and attr store1 > 4.202)
     and bondedto (attr store1 < 38.606 and attr store1 > 37.406))
6 6 0 peak 6720 volume 122367504 hpm1 38.006 ppm1 4.232 ppm2 0.553
!# peak 6721-----------------------------------------------
assi (attr store1 < 7.231 and attr store1 > 7.111)
    ((attr store1 < 4.276 and attr store1 > 4.216)
     and bondedto (attr store1 < 38.648 and attr store1 > 37.448))
6 6 0 peak 6721 volume 78454288 hpm1 38.048 ppm1 4.246 ppm2 7.171
!# peak 6722-----------------------------------------------
assi (attr store1 < 7.316 and attr store1 > 7.196)
    ((attr store1 < 4.275 and attr store1 > 4.215)
     and bondedto (attr store1 < 38.648 and attr store1 > 37.448))
6 6 0 peak 6722 volume 67841432 hpm1 38.048 ppm1 4.245 ppm2 7.256
!# peak 6723-----------------------------------------------
assi (attr store1 < 4.709 and attr store1 > 4.589)
    ((attr store1 < 2.825 and attr store1 > 2.765)
     and bondedto (attr store1 < 39.184 and attr store1 > 37.984))
6 6 0 peak 6723 volume 838177472 hpm1 38.584 ppm1 2.795 ppm2 4.649
!# peak 6724-----------------------------------------------
assi (attr store1 < 2.784 and attr store1 > 2.664)
    ((attr store1 < 4.290 and attr store1 > 4.230)
     and bondedto (attr store1 < 39.857 and attr store1 > 38.657))
6 6 0 peak 6724 volume 7859277 hpm1 39.257 ppm1 4.260 ppm2 2.724
!# peak 6725-----------------------------------------------
assi (attr store1 < 2.529 and attr store1 > 2.409)
    ((attr store1 < 4.286 and attr store1 > 4.226)
     and bondedto (attr store1 < 39.873 and attr store1 > 38.673))
6 6 0 peak 6725 volume 255261600 hpm1 39.273 ppm1 4.256 ppm2 2.469
!# peak 6726-----------------------------------------------
assi (attr store1 < 2.423 and attr store1 > 2.303)
    ((attr store1 < 4.511 and attr store1 > 4.451)
     and bondedto (attr store1 < 39.991 and attr store1 > 38.791))
6 6 0 peak 6726 volume 418933088 hpm1 39.391 ppm1 4.481 ppm2 2.363
!# peak 6727-----------------------------------------------
assi (attr store1 < 2.295 and attr store1 > 2.175)
    ((attr store1 < 4.417 and attr store1 > 4.357)
     and bondedto (attr store1 < 39.835 and attr store1 > 38.635))
6 6 0 peak 6727 volume 229362800 hpm1 39.235 ppm1 4.387 ppm2 2.235
!# peak 6728-----------------------------------------------
assi (attr store1 < 2.253 and attr store1 > 2.133)
    ((attr store1 < 4.528 and attr store1 > 4.468)
     and bondedto (attr store1 < 39.954 and attr store1 > 38.754))
6 6 0 peak 6728 volume 412020192 hpm1 39.354 ppm1 4.498 ppm2 2.193
!# peak 6729-----------------------------------------------
assi (attr store1 < 2.054 and attr store1 > 1.934)
    ((attr store1 < 4.528 and attr store1 > 4.468)
     and bondedto (attr store1 < 39.954 and attr store1 > 38.754))
6 6 0 peak 6729 volume 674447616 hpm1 39.354 ppm1 4.498 ppm2 1.994
!# peak 6730-----------------------------------------------
assi (attr store1 < 2.009 and attr store1 > 1.889)
    ((attr store1 < 4.287 and attr store1 > 4.227)
     and bondedto (attr store1 < 39.855 and attr store1 > 38.655))
6 6 0 peak 6730 volume 306182880 hpm1 39.255 ppm1 4.257 ppm2 1.949
!# peak 6731-----------------------------------------------
assi (attr store1 < 1.969 and attr store1 > 1.849)
    ((attr store1 < 4.417 and attr store1 > 4.357)
     and bondedto (attr store1 < 39.849 and attr store1 > 38.649))
6 6 0 peak 6731 volume 554163968 hpm1 39.249 ppm1 4.387 ppm2 1.909
!# peak 6732-----------------------------------------------
assi (attr store1 < 1.878 and attr store1 > 1.758)
    ((attr store1 < 4.286 and attr store1 > 4.226)
     and bondedto (attr store1 < 39.873 and attr store1 > 38.673))
6 6 0 peak 6732 volume 415931328 hpm1 39.273 ppm1 4.256 ppm2 1.818
!# peak 6733-----------------------------------------------
assi (attr store1 < 1.648 and attr store1 > 1.528)
    ((attr store1 < 4.510 and attr store1 > 4.450)
     and bondedto (attr store1 < 39.947 and attr store1 > 38.747))
6 6 0 peak 6733 volume 135794000 hpm1 39.347 ppm1 4.480 ppm2 1.588
!# peak 6734-----------------------------------------------
assi (attr store1 < 1.469 and attr store1 > 1.349)
    ((attr store1 < 4.290 and attr store1 > 4.230)
     and bondedto (attr store1 < 39.879 and attr store1 > 38.679))
6 6 0 peak 6734 volume 15381441 hpm1 39.279 ppm1 4.260 ppm2 1.409
!# peak 6735-----------------------------------------------
assi (attr store1 < 2.957 and attr store1 > 2.837)
    ((attr store1 < 4.288 and attr store1 > 4.228)
     and bondedto (attr store1 < 39.864 and attr store1 > 38.664))
6 6 0 peak 6735 volume 17414090 hpm1 39.264 ppm1 4.258 ppm2 2.897
!# peak 6736-----------------------------------------------
assi (attr store1 < 0.827 and attr store1 > 0.707)
    ((attr store1 < 4.287 and attr store1 > 4.227)
     and bondedto (attr store1 < 39.870 and attr store1 > 38.670))
6 6 0 peak 6736 volume 32394748 hpm1 39.270 ppm1 4.257 ppm2 0.767
!# peak 6737-----------------------------------------------
assi (attr store1 < 0.641 and attr store1 > 0.521)
    ((attr store1 < 4.284 and attr store1 > 4.224)
     and bondedto (attr store1 < 39.851 and attr store1 > 38.651))
6 6 0 peak 6737 volume 19962730 hpm1 39.251 ppm1 4.254 ppm2 0.581
!# peak 6739-----------------------------------------------
assi (attr store1 < 4.787 and attr store1 > 4.667)
    ((attr store1 < 4.285 and attr store1 > 4.225)
     and bondedto (attr store1 < 39.629 and attr store1 > 38.429))
6 6 0 peak 6739 volume 3237754 hpm1 39.029 ppm1 4.255 ppm2 4.727
!# peak 6741-----------------------------------------------
assi (attr store1 < 3.930 and attr store1 > 3.810)
    ((attr store1 < 4.512 and attr store1 > 4.452)
     and bondedto (attr store1 < 40.248 and attr store1 > 39.048))
6 6 0 peak 6741 volume 168046288 hpm1 39.648 ppm1 4.482 ppm2 3.870
!# peak 6743-----------------------------------------------
assi (attr store1 < 3.320 and attr store1 > 3.200)
    ((attr store1 < 4.514 and attr store1 > 4.454)
     and bondedto (attr store1 < 40.246 and attr store1 > 39.046))
6 6 0 peak 6743 volume 98523552 hpm1 39.646 ppm1 4.484 ppm2 3.260
!# peak 6744-----------------------------------------------
assi (attr store1 < 2.753 and attr store1 > 2.633)
    ((attr store1 < 4.513 and attr store1 > 4.453)
     and bondedto (attr store1 < 40.258 and attr store1 > 39.058))
6 6 0 peak 6744 volume 22381700 hpm1 39.658 ppm1 4.483 ppm2 2.693
!# peak 6745-----------------------------------------------
assi (attr store1 < 2.879 and attr store1 > 2.759)
    ((attr store1 < 4.051 and attr store1 > 3.991)
     and bondedto (attr store1 < 39.877 and attr store1 > 38.677))
6 6 0 peak 6745 volume 343463104 hpm1 39.277 ppm1 4.021 ppm2 2.819
!# peak 6746-----------------------------------------------
assi (attr store1 < 8.249 and attr store1 > 8.129)
    ((attr store1 < 4.417 and attr store1 > 4.357)
     and bondedto (attr store1 < 39.561 and attr store1 > 38.361))
6 6 0 peak 6746 volume 310516800 hpm1 38.961 ppm1 4.387 ppm2 8.189
!# peak 6747-----------------------------------------------
assi (attr store1 < 6.415 and attr store1 > 6.295)
    ((attr store1 < 4.285 and attr store1 > 4.225)
     and bondedto (attr store1 < 39.883 and attr store1 > 38.683))
6 6 0 peak 6747 volume 66095032 hpm1 39.283 ppm1 4.255 ppm2 6.355
!# peak 6748-----------------------------------------------
assi (attr store1 < 8.531 and attr store1 > 8.411)
    ((attr store1 < 4.286 and attr store1 > 4.226)
     and bondedto (attr store1 < 39.860 and attr store1 > 38.660))
6 6 0 peak 6748 volume 26924300 hpm1 39.260 ppm1 4.256 ppm2 8.471
!# peak 6749-----------------------------------------------
assi (attr store1 < 7.918 and attr store1 > 7.798)
    ((attr store1 < 4.401 and attr store1 > 4.341)
     and bondedto (attr store1 < 39.907 and attr store1 > 38.707))
6 6 0 peak 6749 volume 72592152 hpm1 39.307 ppm1 4.371 ppm2 7.858
!# peak 6750-----------------------------------------------
assi (attr store1 < 8.384 and attr store1 > 8.264)
    ((attr store1 < 4.528 and attr store1 > 4.468)
     and bondedto (attr store1 < 39.958 and attr store1 > 38.758))
6 6 0 peak 6750 volume 209053904 hpm1 39.358 ppm1 4.498 ppm2 8.324
!# peak 6751-----------------------------------------------
assi (attr store1 < 7.058 and attr store1 > 6.938)
    ((attr store1 < 2.941 and attr store1 > 2.881)
     and bondedto (attr store1 < 39.879 and attr store1 > 38.679))
6 6 0 peak 6751 volume 295595712 hpm1 39.279 ppm1 2.911 ppm2 6.998
!# peak 6752-----------------------------------------------
assi (attr store1 < 7.060 and attr store1 > 6.940)
    ((attr store1 < 3.392 and attr store1 > 3.332)
     and bondedto (attr store1 < 39.884 and attr store1 > 38.684))
6 6 0 peak 6752 volume 284568192 hpm1 39.284 ppm1 3.362 ppm2 7.000
!# peak 6753-----------------------------------------------
assi (attr store1 < 8.290 and attr store1 > 8.170)
    ((attr store1 < 3.601 and attr store1 > 3.541)
     and bondedto (attr store1 < 40.641 and attr store1 > 39.441))
6 6 0 peak 6753 volume 16658990 hpm1 40.041 ppm1 3.571 ppm2 8.230
!# peak 6754-----------------------------------------------
assi (attr store1 < 6.899 and attr store1 > 6.779)
    ((attr store1 < 2.729 and attr store1 > 2.669)
     and bondedto (attr store1 < 40.457 and attr store1 > 39.257))
6 6 0 peak 6754 volume 0.3120875e+06 hpm1 39.857 ppm1 2.699 ppm2 6.839
!# peak 6755-----------------------------------------------
assi (attr store1 < 6.654 and attr store1 > 6.534)
    ((attr store1 < 2.734 and attr store1 > 2.674)
     and bondedto (attr store1 < 40.435 and attr store1 > 39.235))
6 6 0 peak 6755 volume 40257140 hpm1 39.835 ppm1 2.704 ppm2 6.594
!# peak 6756-----------------------------------------------
assi (attr store1 < 7.862 and attr store1 > 7.742)
    ((attr store1 < 2.670 and attr store1 > 2.610)
     and bondedto (attr store1 < 39.472 and attr store1 > 38.272))
6 6 0 peak 6756 volume 23646630 hpm1 38.872 ppm1 2.640 ppm2 7.802
!# peak 6757-----------------------------------------------
assi (attr store1 < 3.744 and attr store1 > 3.624)
    ((attr store1 < 2.370 and attr store1 > 2.310)
     and bondedto (attr store1 < 38.965 and attr store1 > 37.765))
6 6 0 peak 6757 volume 21509270 hpm1 38.365 ppm1 2.340 ppm2 3.684
!# peak 6758-----------------------------------------------
assi (attr store1 < 4.509 and attr store1 > 4.389)
    ((attr store1 < 2.372 and attr store1 > 2.312)
     and bondedto (attr store1 < 38.985 and attr store1 > 37.785))
6 6 0 peak 6758 volume 113929304 hpm1 38.385 ppm1 2.342 ppm2 4.449
!# peak 6759-----------------------------------------------
assi (attr store1 < 4.096 and attr store1 > 3.976)
    ((attr store1 < 2.236 and attr store1 > 2.176)
     and bondedto (attr store1 < 39.175 and attr store1 > 37.975))
6 6 0 peak 6759 volume 202971600 hpm1 38.575 ppm1 2.206 ppm2 4.036
!# peak 6760-----------------------------------------------
assi (attr store1 < 4.558 and attr store1 > 4.438)
    ((attr store1 < 2.254 and attr store1 > 2.194)
     and bondedto (attr store1 < 39.123 and attr store1 > 37.923))
6 6 0 peak 6760 volume 32990620 hpm1 38.523 ppm1 2.224 ppm2 4.498
!# peak 6761-----------------------------------------------
assi (attr store1 < 1.066 and attr store1 > 0.946)
    ((attr store1 < 2.670 and attr store1 > 2.610)
     and bondedto (attr store1 < 39.489 and attr store1 > 38.289))
6 6 0 peak 6761 volume 156325600 hpm1 38.889 ppm1 2.640 ppm2 1.006
!# peak 6762-----------------------------------------------
assi (attr store1 < 1.555 and attr store1 > 1.435)
    ((attr store1 < 2.669 and attr store1 > 2.609)
     and bondedto (attr store1 < 39.481 and attr store1 > 38.281))
6 6 0 peak 6762 volume 116412800 hpm1 38.881 ppm1 2.639 ppm2 1.495
!# peak 6763-----------------------------------------------
assi (attr store1 < 2.201 and attr store1 > 2.081)
    ((attr store1 < 2.684 and attr store1 > 2.624)
     and bondedto (attr store1 < 39.461 and attr store1 > 38.261))
6 6 0 peak 6763 volume 69214024 hpm1 38.861 ppm1 2.654 ppm2 2.141
!# peak 6764-----------------------------------------------
assi (attr store1 < 1.555 and attr store1 > 1.435)
    ((attr store1 < 3.393 and attr store1 > 3.333)
     and bondedto (attr store1 < 39.877 and attr store1 > 38.677))
6 6 0 peak 6764 volume 84796840 hpm1 39.277 ppm1 3.363 ppm2 1.495
!# peak 6765-----------------------------------------------
assi (attr store1 < 0.698 and attr store1 > 0.578)
    ((attr store1 < 2.735 and attr store1 > 2.675)
     and bondedto (attr store1 < 40.453 and attr store1 > 39.253))
6 6 0 peak 6765 volume 91178752 hpm1 39.853 ppm1 2.705 ppm2 0.638
!# peak 6766-----------------------------------------------
assi (attr store1 < 2.744 and attr store1 > 2.624)
    ((attr store1 < 1.372 and attr store1 > 1.312)
     and bondedto (attr store1 < 39.712 and attr store1 > 38.512))
6 6 0 peak 6766 volume 221660592 hpm1 39.112 ppm1 1.342 ppm2 2.684
!# peak 6767-----------------------------------------------
assi (attr store1 < 7.234 and attr store1 > 7.114)
    ((attr store1 < 1.371 and attr store1 > 1.311)
     and bondedto (attr store1 < 39.708 and attr store1 > 38.508))
6 6 0 peak 6767 volume 32057920 hpm1 39.108 ppm1 1.341 ppm2 7.174
!# peak 6768-----------------------------------------------
assi (attr store1 < 7.647 and attr store1 > 7.527)
    ((attr store1 < 1.373 and attr store1 > 1.313)
     and bondedto (attr store1 < 39.704 and attr store1 > 38.504))
6 6 0 peak 6768 volume 37472740 hpm1 39.104 ppm1 1.343 ppm2 7.587
!# peak 6769-----------------------------------------------
assi (attr store1 < 7.639 and attr store1 > 7.519)
    ((attr store1 < 2.530 and attr store1 > 2.470)
     and bondedto (attr store1 < 41.251 and attr store1 > 40.051))
6 6 0 peak 6769 volume 96096096 hpm1 40.651 ppm1 2.500 ppm2 7.579
!# peak 6770-----------------------------------------------
assi (attr store1 < 8.145 and attr store1 > 8.025)
    ((attr store1 < 2.529 and attr store1 > 2.469)
     and bondedto (attr store1 < 41.185 and attr store1 > 39.985))
6 6 0 peak 6770 volume 468003200 hpm1 40.585 ppm1 2.499 ppm2 8.085
!# peak 6771-----------------------------------------------
assi (attr store1 < 4.057 and attr store1 > 3.937)
    ((attr store1 < 2.600 and attr store1 > 2.540)
     and bondedto (attr store1 < 41.187 and attr store1 > 39.987))
6 6 0 peak 6771 volume 90168392 hpm1 40.587 ppm1 2.570 ppm2 3.997
!# peak 6772-----------------------------------------------
assi (attr store1 < 3.664 and attr store1 > 3.544)
    ((attr store1 < 2.623 and attr store1 > 2.563)
     and bondedto (attr store1 < 41.170 and attr store1 > 39.970))
6 6 0 peak 6772 volume 23491790 hpm1 40.570 ppm1 2.593 ppm2 3.604
!# peak 6773-----------------------------------------------
assi (attr store1 < 4.791 and attr store1 > 4.671)
    ((attr store1 < 2.533 and attr store1 > 2.473)
     and bondedto (attr store1 < 41.246 and attr store1 > 40.046))
6 6 0 peak 6773 volume 160001792 hpm1 40.646 ppm1 2.503 ppm2 4.731
!# peak 6774-----------------------------------------------
assi (attr store1 < 4.331 and attr store1 > 4.211)
    ((attr store1 < 2.620 and attr store1 > 2.560)
     and bondedto (attr store1 < 41.189 and attr store1 > 39.989))
6 6 0 peak 6774 volume 1166046976 hpm1 40.589 ppm1 2.590 ppm2 4.271
!# peak 6775-----------------------------------------------
assi (attr store1 < 1.965 and attr store1 > 1.845)
    ((attr store1 < 2.534 and attr store1 > 2.474)
     and bondedto (attr store1 < 41.246 and attr store1 > 40.046))
6 6 0 peak 6775 volume 67145752 hpm1 40.646 ppm1 2.504 ppm2 1.905
!# peak 6776-----------------------------------------------
assi (attr store1 < 7.059 and attr store1 > 6.939)
    ((attr store1 < 3.733 and attr store1 > 3.673)
     and bondedto (attr store1 < 41.238 and attr store1 > 40.038))
6 6 0 peak 6776 volume 50162528 hpm1 40.638 ppm1 3.703 ppm2 6.999
!# peak 6777-----------------------------------------------
assi (attr store1 < 7.792 and attr store1 > 7.672)
    ((attr store1 < 3.549 and attr store1 > 3.489)
     and bondedto (attr store1 < 41.481 and attr store1 > 40.281))
6 6 0 peak 6777 volume 230059904 hpm1 40.881 ppm1 3.519 ppm2 7.732
!# peak 6778-----------------------------------------------
assi (attr store1 < 7.213 and attr store1 > 7.093)
    ((attr store1 < 1.460 and attr store1 > 1.400)
     and bondedto (attr store1 < 41.573 and attr store1 > 40.373))
6 6 0 peak 6778 volume 88873896 hpm1 40.973 ppm1 1.430 ppm2 7.153
!# peak 6779-----------------------------------------------
assi (attr store1 < 8.012 and attr store1 > 7.892)
    ((attr store1 < 1.460 and attr store1 > 1.400)
     and bondedto (attr store1 < 41.566 and attr store1 > 40.366))
6 6 0 peak 6779 volume 129860400 hpm1 40.966 ppm1 1.430 ppm2 7.952
!# peak 6780-----------------------------------------------
assi (attr store1 < 7.943 and attr store1 > 7.823)
    ((attr store1 < 1.352 and attr store1 > 1.292)
     and bondedto (attr store1 < 41.656 and attr store1 > 40.456))
6 6 0 peak 6780 volume 141170608 hpm1 41.056 ppm1 1.322 ppm2 7.883
!# peak 6781-----------------------------------------------
assi (attr store1 < 6.573 and attr store1 > 6.453)
    ((attr store1 < 0.398 and attr store1 > 0.338)
     and bondedto (attr store1 < 41.746 and attr store1 > 40.546))
6 6 0 peak 6781 volume 11531960 hpm1 41.146 ppm1 0.368 ppm2 6.513
!# peak 6782-----------------------------------------------
assi (attr store1 < 7.844 and attr store1 > 7.724)
    ((attr store1 < 0.415 and attr store1 > 0.355)
     and bondedto (attr store1 < 41.756 and attr store1 > 40.556))
6 6 0 peak 6782 volume 27560360 hpm1 41.156 ppm1 0.385 ppm2 7.784
!# peak 6783-----------------------------------------------
assi (attr store1 < 8.302 and attr store1 > 8.182)
    ((attr store1 < 1.647 and attr store1 > 1.587)
     and bondedto (attr store1 < 42.326 and attr store1 > 41.126))
6 6 0 peak 6783 volume 432745088 hpm1 41.726 ppm1 1.617 ppm2 8.242
!# peak 6784-----------------------------------------------
assi (attr store1 < 7.025 and attr store1 > 6.905)
    ((attr store1 < 1.484 and attr store1 > 1.424)
     and bondedto (attr store1 < 42.298 and attr store1 > 41.098))
6 6 0 peak 6784 volume 109165104 hpm1 41.698 ppm1 1.454 ppm2 6.965
!# peak 6785-----------------------------------------------
assi (attr store1 < 7.509 and attr store1 > 7.389)
    ((attr store1 < 1.485 and attr store1 > 1.425)
     and bondedto (attr store1 < 42.298 and attr store1 > 41.098))
6 6 0 peak 6785 volume 61349880 hpm1 41.698 ppm1 1.455 ppm2 7.449
!# peak 6786-----------------------------------------------
assi (attr store1 < 1.370 and attr store1 > 1.250)
    ((attr store1 < 3.240 and attr store1 > 3.180)
     and bondedto (attr store1 < 41.388 and attr store1 > 40.188))
6 6 0 peak 6786 volume 155229696 hpm1 40.788 ppm1 3.210 ppm2 1.310
!# peak 6787-----------------------------------------------
assi (attr store1 < 1.353 and attr store1 > 1.233)
    ((attr store1 < 3.045 and attr store1 > 2.985)
     and bondedto (attr store1 < 41.394 and attr store1 > 40.194))
6 6 0 peak 6787 volume 266550096 hpm1 40.794 ppm1 3.015 ppm2 1.293
!# peak 6788-----------------------------------------------
assi (attr store1 < 1.641 and attr store1 > 1.521)
    ((attr store1 < 3.554 and attr store1 > 3.494)
     and bondedto (attr store1 < 41.530 and attr store1 > 40.330))
6 6 0 peak 6788 volume 83995448 hpm1 40.930 ppm1 3.524 ppm2 1.581
!# peak 6789-----------------------------------------------
assi (attr store1 < 3.913 and attr store1 > 3.793)
    ((attr store1 < 3.553 and attr store1 > 3.493)
     and bondedto (attr store1 < 41.537 and attr store1 > 40.337))
6 6 0 peak 6789 volume 267621488 hpm1 40.937 ppm1 3.523 ppm2 3.853
!# peak 6790-----------------------------------------------
assi (attr store1 < 4.521 and attr store1 > 4.401)
    ((attr store1 < 3.553 and attr store1 > 3.493)
     and bondedto (attr store1 < 41.493 and attr store1 > 40.293))
6 6 0 peak 6790 volume 3579301 hpm1 40.893 ppm1 3.523 ppm2 4.461
!# peak 6791-----------------------------------------------
assi (attr store1 < 4.651 and attr store1 > 4.531)
    ((attr store1 < 3.553 and attr store1 > 3.493)
     and bondedto (attr store1 < 41.525 and attr store1 > 40.325))
6 6 0 peak 6791 volume 8890225 hpm1 40.925 ppm1 3.523 ppm2 4.591
!# peak 6792-----------------------------------------------
assi (attr store1 < 1.970 and attr store1 > 1.850)
    ((attr store1 < 2.691 and attr store1 > 2.631)
     and bondedto (attr store1 < 41.755 and attr store1 > 40.555))
6 6 0 peak 6792 volume 153689904 hpm1 41.155 ppm1 2.661 ppm2 1.910
!# peak 6793-----------------------------------------------
assi (attr store1 < 2.385 and attr store1 > 2.265)
    ((attr store1 < 3.007 and attr store1 > 2.947)
     and bondedto (attr store1 < 41.763 and attr store1 > 40.563))
6 6 0 peak 6793 volume 224574800 hpm1 41.163 ppm1 2.977 ppm2 2.325
!# peak 6794-----------------------------------------------
assi (attr store1 < 2.520 and attr store1 > 2.400)
    ((attr store1 < 2.691 and attr store1 > 2.631)
     and bondedto (attr store1 < 41.770 and attr store1 > 40.570))
6 6 0 peak 6794 volume 1584385920 hpm1 41.170 ppm1 2.661 ppm2 2.460
!# peak 6795-----------------------------------------------
assi (attr store1 < 2.520 and attr store1 > 2.400)
    ((attr store1 < 2.691 and attr store1 > 2.631)
     and bondedto (attr store1 < 41.770 and attr store1 > 40.570))
6 6 0 peak 6795 volume 1584385920 hpm1 41.170 ppm1 2.661 ppm2 2.460
!# peak 6796-----------------------------------------------
assi (attr store1 < 2.392 and attr store1 > 2.272)
    ((attr store1 < 2.689 and attr store1 > 2.629)
     and bondedto (attr store1 < 41.666 and attr store1 > 40.466))
6 6 0 peak 6796 volume 294087808 hpm1 41.066 ppm1 2.659 ppm2 2.332
!# peak 6797-----------------------------------------------
assi (attr store1 < 4.791 and attr store1 > 4.671)
    ((attr store1 < 2.368 and attr store1 > 2.308)
     and bondedto (attr store1 < 42.135 and attr store1 > 40.935))
6 6 0 peak 6797 volume 643693952 hpm1 41.535 ppm1 2.338 ppm2 4.731
!# peak 6800-----------------------------------------------
assi (attr store1 < 1.695 and attr store1 > 1.575)
    ((attr store1 < 1.893 and attr store1 > 1.833)
     and bondedto (attr store1 < 41.613 and attr store1 > 40.413))
6 6 0 peak 6800 volume 0.2250355e+10 hpm1 41.013 ppm1 1.863 ppm2 1.635
!# peak 6801-----------------------------------------------
assi (attr store1 < 1.653 and attr store1 > 1.533)
    ((attr store1 < 1.762 and attr store1 > 1.702)
     and bondedto (attr store1 < 41.638 and attr store1 > 40.438))
6 6 0 peak 6801 volume 1863890048 hpm1 41.038 ppm1 1.732 ppm2 1.593
!# peak 6802-----------------------------------------------
assi (attr store1 < 1.512 and attr store1 > 1.392)
    ((attr store1 < 1.872 and attr store1 > 1.812)
     and bondedto (attr store1 < 41.555 and attr store1 > 40.355))
6 6 0 peak 6802 volume 1438435072 hpm1 40.955 ppm1 1.842 ppm2 1.452
!# peak 6804-----------------------------------------------
assi (attr store1 < 1.417 and attr store1 > 1.297)
    ((attr store1 < 1.780 and attr store1 > 1.720)
     and bondedto (attr store1 < 41.655 and attr store1 > 40.455))
6 6 0 peak 6804 volume 782307904 hpm1 41.055 ppm1 1.750 ppm2 1.357
!# peak 6805-----------------------------------------------
assi (attr store1 < 1.238 and attr store1 > 1.118)
    ((attr store1 < 1.872 and attr store1 > 1.812)
     and bondedto (attr store1 < 41.557 and attr store1 > 40.357))
6 6 0 peak 6805 volume 522816000 hpm1 40.957 ppm1 1.842 ppm2 1.178
!# peak 6806-----------------------------------------------
assi (attr store1 < 1.933 and attr store1 > 1.813)
    ((attr store1 < 1.627 and attr store1 > 1.567)
     and bondedto (attr store1 < 41.622 and attr store1 > 40.422))
6 6 0 peak 6806 volume 1584510080 hpm1 41.022 ppm1 1.597 ppm2 1.873
!# peak 6807-----------------------------------------------
assi (attr store1 < 1.924 and attr store1 > 1.804)
    ((attr store1 < 1.460 and attr store1 > 1.400)
     and bondedto (attr store1 < 41.554 and attr store1 > 40.354))
6 6 0 peak 6807 volume 1212974976 hpm1 40.954 ppm1 1.430 ppm2 1.864
!# peak 6808-----------------------------------------------
assi (attr store1 < 1.830 and attr store1 > 1.710)
    ((attr store1 < 1.350 and attr store1 > 1.290)
     and bondedto (attr store1 < 41.653 and attr store1 > 40.453))
6 6 0 peak 6808 volume 655909440 hpm1 41.053 ppm1 1.320 ppm2 1.770
!# peak 6809-----------------------------------------------
assi (attr store1 < 1.745 and attr store1 > 1.625)
    ((attr store1 < 1.461 and attr store1 > 1.401)
     and bondedto (attr store1 < 41.573 and attr store1 > 40.373))
6 6 0 peak 6809 volume 1284897024 hpm1 40.973 ppm1 1.431 ppm2 1.685
!# peak 6811-----------------------------------------------
assi (attr store1 < 1.644 and attr store1 > 1.524)
    ((attr store1 < 1.350 and attr store1 > 1.290)
     and bondedto (attr store1 < 41.640 and attr store1 > 40.440))
6 6 0 peak 6811 volume 1044556992 hpm1 41.040 ppm1 1.320 ppm2 1.584
!# peak 6815-----------------------------------------------
assi (attr store1 < 1.239 and attr store1 > 1.119)
    ((attr store1 < 1.460 and attr store1 > 1.400)
     and bondedto (attr store1 < 41.557 and attr store1 > 40.357))
6 6 0 peak 6815 volume 721319040 hpm1 40.957 ppm1 1.430 ppm2 1.179
!# peak 6816-----------------------------------------------
assi (attr store1 < 1.053 and attr store1 > 0.933)
    ((attr store1 < 1.350 and attr store1 > 1.290)
     and bondedto (attr store1 < 41.647 and attr store1 > 40.447))
6 6 0 peak 6816 volume 145441808 hpm1 41.047 ppm1 1.320 ppm2 0.993
!# peak 6817-----------------------------------------------
assi (attr store1 < 0.922 and attr store1 > 0.802)
    ((attr store1 < 1.461 and attr store1 > 1.401)
     and bondedto (attr store1 < 41.557 and attr store1 > 40.357))
6 6 0 peak 6817 volume 409130176 hpm1 40.957 ppm1 1.431 ppm2 0.862
!# peak 6818-----------------------------------------------
assi (attr store1 < 0.881 and attr store1 > 0.761)
    ((attr store1 < 1.350 and attr store1 > 1.290)
     and bondedto (attr store1 < 41.651 and attr store1 > 40.451))
6 6 0 peak 6818 volume 356925984 hpm1 41.051 ppm1 1.320 ppm2 0.821
!# peak 6819-----------------------------------------------
assi (attr store1 < 1.053 and attr store1 > 0.933)
    ((attr store1 < 1.777 and attr store1 > 1.717)
     and bondedto (attr store1 < 41.654 and attr store1 > 40.454))
6 6 0 peak 6819 volume 667420672 hpm1 41.054 ppm1 1.747 ppm2 0.993
!# peak 6821-----------------------------------------------
assi (attr store1 < 1.013 and attr store1 > 0.893)
    ((attr store1 < 1.626 and attr store1 > 1.566)
     and bondedto (attr store1 < 41.621 and attr store1 > 40.421))
6 6 0 peak 6821 volume 362564192 hpm1 41.021 ppm1 1.596 ppm2 0.953
!# peak 6823-----------------------------------------------
assi (attr store1 < 0.886 and attr store1 > 0.766)
    ((attr store1 < 1.776 and attr store1 > 1.716)
     and bondedto (attr store1 < 41.664 and attr store1 > 40.464))
6 6 0 peak 6823 volume 693738304 hpm1 41.064 ppm1 1.746 ppm2 0.826
!# peak 6824-----------------------------------------------
assi (attr store1 < 0.741 and attr store1 > 0.621)
    ((attr store1 < 1.870 and attr store1 > 1.810)
     and bondedto (attr store1 < 41.604 and attr store1 > 40.404))
6 6 0 peak 6824 volume 130525696 hpm1 41.004 ppm1 1.840 ppm2 0.681
!# peak 6825-----------------------------------------------
assi (attr store1 < 0.701 and attr store1 > 0.581)
    ((attr store1 < 1.779 and attr store1 > 1.719)
     and bondedto (attr store1 < 41.648 and attr store1 > 40.448))
6 6 0 peak 6825 volume 262125696 hpm1 41.048 ppm1 1.749 ppm2 0.641
!# peak 6826-----------------------------------------------
assi (attr store1 < 0.518 and attr store1 > 0.398)
    ((attr store1 < 1.872 and attr store1 > 1.812)
     and bondedto (attr store1 < 41.558 and attr store1 > 40.358))
6 6 0 peak 6826 volume 157052992 hpm1 40.958 ppm1 1.842 ppm2 0.458
!# peak 6827-----------------------------------------------
assi (attr store1 < 0.461 and attr store1 > 0.341)
    ((attr store1 < 1.766 and attr store1 > 1.706)
     and bondedto (attr store1 < 41.612 and attr store1 > 40.412))
6 6 0 peak 6827 volume 85884216 hpm1 41.012 ppm1 1.736 ppm2 0.401
!# peak 6829-----------------------------------------------
assi (attr store1 < 0.451 and attr store1 > 0.331)
    ((attr store1 < 1.627 and attr store1 > 1.567)
     and bondedto (attr store1 < 41.655 and attr store1 > 40.455))
6 6 0 peak 6829 volume 313554112 hpm1 41.055 ppm1 1.597 ppm2 0.391
!# peak 6830-----------------------------------------------
assi (attr store1 < 0.928 and attr store1 > 0.808)
    ((attr store1 < 1.875 and attr store1 > 1.815)
     and bondedto (attr store1 < 41.576 and attr store1 > 40.376))
6 6 0 peak 6830 volume 632446016 hpm1 40.976 ppm1 1.845 ppm2 0.868
!# peak 6832-----------------------------------------------
assi (attr store1 < 1.960 and attr store1 > 1.840)
    ((attr store1 < 1.642 and attr store1 > 1.582)
     and bondedto (attr store1 < 42.186 and attr store1 > 40.986))
6 6 0 peak 6832 volume 2143876992 hpm1 41.586 ppm1 1.612 ppm2 1.900
!# peak 6835-----------------------------------------------
assi (attr store1 < 1.837 and attr store1 > 1.717)
    ((attr store1 < 1.348 and attr store1 > 1.288)
     and bondedto (attr store1 < 42.287 and attr store1 > 41.087))
6 6 0 peak 6835 volume 1985588096 hpm1 41.687 ppm1 1.318 ppm2 1.777
!# peak 6836-----------------------------------------------
assi (attr store1 < 1.698 and attr store1 > 1.578)
    ((attr store1 < 1.896 and attr store1 > 1.836)
     and bondedto (attr store1 < 42.201 and attr store1 > 41.001))
6 6 0 peak 6836 volume 0.3561876e+10 hpm1 41.601 ppm1 1.866 ppm2 1.638
!# peak 6837-----------------------------------------------
assi (attr store1 < 1.702 and attr store1 > 1.582)
    ((attr store1 < 1.484 and attr store1 > 1.424)
     and bondedto (attr store1 < 42.308 and attr store1 > 41.108))
6 6 0 peak 6837 volume 0.4955697e+10 hpm1 41.708 ppm1 1.454 ppm2 1.642
!# peak 6840-----------------------------------------------
assi (attr store1 < 1.603 and attr store1 > 1.483)
    ((attr store1 < 1.393 and attr store1 > 1.333)
     and bondedto (attr store1 < 42.324 and attr store1 > 41.124))
6 6 0 peak 6840 volume 0.2579113e+10 hpm1 41.724 ppm1 1.363 ppm2 1.543
!# peak 6841-----------------------------------------------
assi (attr store1 < 1.515 and attr store1 > 1.395)
    ((attr store1 < 1.781 and attr store1 > 1.721)
     and bondedto (attr store1 < 42.334 and attr store1 > 41.134))
6 6 0 peak 6841 volume 0.3192948e+10 hpm1 41.734 ppm1 1.751 ppm2 1.455
!# peak 6843-----------------------------------------------
assi (attr store1 < 1.436 and attr store1 > 1.316)
    ((attr store1 < 1.550 and attr store1 > 1.490)
     and bondedto (attr store1 < 42.331 and attr store1 > 41.131))
6 6 0 peak 6843 volume 0.3590609e+10 hpm1 41.731 ppm1 1.520 ppm2 1.376
!# peak 6844-----------------------------------------------
assi (attr store1 < 0.781 and attr store1 > 0.661)
    ((attr store1 < 1.486 and attr store1 > 1.426)
     and bondedto (attr store1 < 42.314 and attr store1 > 41.114))
6 6 0 peak 6844 volume 768909504 hpm1 41.714 ppm1 1.456 ppm2 0.721
!# peak 6845-----------------------------------------------
assi (attr store1 < 1.505 and attr store1 > 1.385)
    ((attr store1 < 1.648 and attr store1 > 1.588)
     and bondedto (attr store1 < 42.289 and attr store1 > 41.089))
6 6 0 peak 6845 volume 0.3645302e+10 hpm1 41.689 ppm1 1.618 ppm2 1.445
!# peak 6846-----------------------------------------------
assi (attr store1 < 1.049 and attr store1 > 0.929)
    ((attr store1 < 1.782 and attr store1 > 1.722)
     and bondedto (attr store1 < 42.317 and attr store1 > 41.117))
6 6 0 peak 6846 volume 1964886912 hpm1 41.717 ppm1 1.752 ppm2 0.989
!# peak 6847-----------------------------------------------
assi (attr store1 < 0.873 and attr store1 > 0.753)
    ((attr store1 < 1.778 and attr store1 > 1.718)
     and bondedto (attr store1 < 42.318 and attr store1 > 41.118))
6 6 0 peak 6847 volume 1478448000 hpm1 41.718 ppm1 1.748 ppm2 0.813
!# peak 6848-----------------------------------------------
assi (attr store1 < 0.846 and attr store1 > 0.726)
    ((attr store1 < 1.848 and attr store1 > 1.788)
     and bondedto (attr store1 < 42.347 and attr store1 > 41.147))
6 6 0 peak 6848 volume 743902528 hpm1 41.747 ppm1 1.818 ppm2 0.786
!# peak 6850-----------------------------------------------
assi (attr store1 < 2.872 and attr store1 > 2.752)
    ((attr store1 < 1.783 and attr store1 > 1.723)
     and bondedto (attr store1 < 42.497 and attr store1 > 41.297))
6 6 0 peak 6850 volume 42348332 hpm1 41.897 ppm1 1.753 ppm2 2.812
!# peak 6851-----------------------------------------------
assi (attr store1 < 3.460 and attr store1 > 3.340)
    ((attr store1 < 1.782 and attr store1 > 1.722)
     and bondedto (attr store1 < 42.420 and attr store1 > 41.220))
6 6 0 peak 6851 volume 124220496 hpm1 41.820 ppm1 1.752 ppm2 3.400
!# peak 6854-----------------------------------------------
assi (attr store1 < 4.244 and attr store1 > 4.124)
    ((attr store1 < 1.854 and attr store1 > 1.794)
     and bondedto (attr store1 < 41.277 and attr store1 > 40.077))
6 6 0 peak 6854 volume 256313200 hpm1 40.677 ppm1 1.824 ppm2 4.184
!# peak 6855-----------------------------------------------
assi (attr store1 < 4.239 and attr store1 > 4.119)
    ((attr store1 < 1.625 and attr store1 > 1.565)
     and bondedto (attr store1 < 41.340 and attr store1 > 40.140))
6 6 0 peak 6855 volume 364805024 hpm1 40.740 ppm1 1.595 ppm2 4.179
!# peak 6856-----------------------------------------------
assi (attr store1 < 4.243 and attr store1 > 4.123)
    ((attr store1 < 1.460 and attr store1 > 1.400)
     and bondedto (attr store1 < 41.278 and attr store1 > 40.078))
6 6 0 peak 6856 volume 244354208 hpm1 40.678 ppm1 1.430 ppm2 4.183
!# peak 6857-----------------------------------------------
assi (attr store1 < 4.513 and attr store1 > 4.393)
    ((attr store1 < 1.782 and attr store1 > 1.722)
     and bondedto (attr store1 < 42.043 and attr store1 > 40.843))
6 6 0 peak 6857 volume 334084288 hpm1 41.443 ppm1 1.752 ppm2 4.453
!# peak 6858-----------------------------------------------
assi (attr store1 < 4.235 and attr store1 > 4.115)
    ((attr store1 < 1.892 and attr store1 > 1.832)
     and bondedto (attr store1 < 41.878 and attr store1 > 40.678))
6 6 0 peak 6858 volume 345299392 hpm1 41.278 ppm1 1.862 ppm2 4.175
!# peak 6859-----------------------------------------------
assi (attr store1 < 4.234 and attr store1 > 4.114)
    ((attr store1 < 1.639 and attr store1 > 1.579)
     and bondedto (attr store1 < 41.897 and attr store1 > 40.697))
6 6 0 peak 6859 volume 431453408 hpm1 41.297 ppm1 1.609 ppm2 4.174
!# peak 6860-----------------------------------------------
assi (attr store1 < 4.242 and attr store1 > 4.122)
    ((attr store1 < 1.461 and attr store1 > 1.401)
     and bondedto (attr store1 < 41.845 and attr store1 > 40.645))
6 6 0 peak 6860 volume 377282880 hpm1 41.245 ppm1 1.431 ppm2 4.182
!# peak 6861-----------------------------------------------
assi (attr store1 < 4.109 and attr store1 > 3.989)
    ((attr store1 < 1.483 and attr store1 > 1.423)
     and bondedto (attr store1 < 42.020 and attr store1 > 40.820))
6 6 0 peak 6861 volume 247375296 hpm1 41.420 ppm1 1.453 ppm2 4.049
!# peak 6862-----------------------------------------------
assi (attr store1 < 4.070 and attr store1 > 3.950)
    ((attr store1 < 1.781 and attr store1 > 1.721)
     and bondedto (attr store1 < 41.951 and attr store1 > 40.751))
6 6 0 peak 6862 volume 286403008 hpm1 41.351 ppm1 1.751 ppm2 4.010
!# peak 6863-----------------------------------------------
assi (attr store1 < 4.065 and attr store1 > 3.945)
    ((attr store1 < 1.370 and attr store1 > 1.310)
     and bondedto (attr store1 < 41.950 and attr store1 > 40.750))
6 6 0 peak 6863 volume 395998208 hpm1 41.350 ppm1 1.340 ppm2 4.005
!# peak 6864-----------------------------------------------
assi (attr store1 < 3.924 and attr store1 > 3.804)
    ((attr store1 < 1.375 and attr store1 > 1.315)
     and bondedto (attr store1 < 42.017 and attr store1 > 40.817))
6 6 0 peak 6864 volume 233682800 hpm1 41.417 ppm1 1.345 ppm2 3.864
!# peak 6865-----------------------------------------------
assi (attr store1 < 3.892 and attr store1 > 3.772)
    ((attr store1 < 1.555 and attr store1 > 1.495)
     and bondedto (attr store1 < 42.056 and attr store1 > 40.856))
6 6 0 peak 6865 volume 227324208 hpm1 41.456 ppm1 1.525 ppm2 3.832
!# peak 6866-----------------------------------------------
assi (attr store1 < 3.740 and attr store1 > 3.620)
    ((attr store1 < 1.484 and attr store1 > 1.424)
     and bondedto (attr store1 < 41.998 and attr store1 > 40.798))
6 6 0 peak 6866 volume 95400000 hpm1 41.398 ppm1 1.454 ppm2 3.680
!# peak 6867-----------------------------------------------
assi (attr store1 < 3.663 and attr store1 > 3.543)
    ((attr store1 < 1.596 and attr store1 > 1.536)
     and bondedto (attr store1 < 42.025 and attr store1 > 40.825))
6 6 0 peak 6867 volume 153659696 hpm1 41.425 ppm1 1.566 ppm2 3.603
!# peak 6868-----------------------------------------------
assi (attr store1 < 3.458 and attr store1 > 3.338)
    ((attr store1 < 1.780 and attr store1 > 1.720)
     and bondedto (attr store1 < 41.932 and attr store1 > 40.732))
6 6 0 peak 6868 volume 222973488 hpm1 41.332 ppm1 1.750 ppm2 3.398
!# peak 6869-----------------------------------------------
assi (attr store1 < 4.324 and attr store1 > 4.204)
    ((attr store1 < 1.551 and attr store1 > 1.491)
     and bondedto (attr store1 < 42.335 and attr store1 > 41.135))
6 6 0 peak 6869 volume 325007808 hpm1 41.735 ppm1 1.521 ppm2 4.264
!# peak 6870-----------------------------------------------
assi (attr store1 < 3.735 and attr store1 > 3.615)
    ((attr store1 < 1.643 and attr store1 > 1.583)
     and bondedto (attr store1 < 42.308 and attr store1 > 41.108))
6 6 0 peak 6870 volume 201228304 hpm1 41.708 ppm1 1.613 ppm2 3.675
!# peak 6871-----------------------------------------------
assi (attr store1 < 4.111 and attr store1 > 3.991)
    ((attr store1 < 1.644 and attr store1 > 1.584)
     and bondedto (attr store1 < 42.308 and attr store1 > 41.108))
6 6 0 peak 6871 volume 306145792 hpm1 41.708 ppm1 1.614 ppm2 4.051
!# peak 6872-----------------------------------------------
assi (attr store1 < 3.891 and attr store1 > 3.771)
    ((attr store1 < 1.394 and attr store1 > 1.334)
     and bondedto (attr store1 < 42.475 and attr store1 > 41.275))
6 6 0 peak 6872 volume 489621792 hpm1 41.875 ppm1 1.364 ppm2 3.831
!# peak 6873-----------------------------------------------
assi (attr store1 < 3.467 and attr store1 > 3.347)
    ((attr store1 < 1.827 and attr store1 > 1.767)
     and bondedto (attr store1 < 42.845 and attr store1 > 41.645))
6 6 0 peak 6873 volume 184619200 hpm1 42.245 ppm1 1.797 ppm2 3.407
!# peak 6874-----------------------------------------------
assi (attr store1 < 3.964 and attr store1 > 3.844)
    ((attr store1 < 1.827 and attr store1 > 1.767)
     and bondedto (attr store1 < 42.847 and attr store1 > 41.647))
6 6 0 peak 6874 volume 938470400 hpm1 42.247 ppm1 1.797 ppm2 3.904
!# peak 6875-----------------------------------------------
assi (attr store1 < 7.013 and attr store1 > 6.893)
    ((attr store1 < 1.759 and attr store1 > 1.699)
     and bondedto (attr store1 < 42.672 and attr store1 > 41.472))
6 6 0 peak 6875 volume 72245816 hpm1 42.072 ppm1 1.729 ppm2 6.953
!# peak 6876-----------------------------------------------
assi (attr store1 < 8.104 and attr store1 > 7.984)
    ((attr store1 < 1.327 and attr store1 > 1.267)
     and bondedto (attr store1 < 42.717 and attr store1 > 41.517))
6 6 0 peak 6876 volume 142617808 hpm1 42.117 ppm1 1.297 ppm2 8.044
!# peak 6877-----------------------------------------------
assi (attr store1 < 7.798 and attr store1 > 7.678)
    ((attr store1 < 1.329 and attr store1 > 1.269)
     and bondedto (attr store1 < 42.714 and attr store1 > 41.514))
6 6 0 peak 6877 volume 146416608 hpm1 42.114 ppm1 1.299 ppm2 7.738
!# peak 6878-----------------------------------------------
assi (attr store1 < 7.428 and attr store1 > 7.308)
    ((attr store1 < 1.127 and attr store1 > 1.067)
     and bondedto (attr store1 < 42.679 and attr store1 > 41.479))
6 6 0 peak 6878 volume 19546240 hpm1 42.079 ppm1 1.097 ppm2 7.368
!# peak 6879-----------------------------------------------
assi (attr store1 < 7.051 and attr store1 > 6.931)
    ((attr store1 < 1.123 and attr store1 > 1.063)
     and bondedto (attr store1 < 42.693 and attr store1 > 41.493))
6 6 0 peak 6879 volume 27605460 hpm1 42.093 ppm1 1.093 ppm2 6.991
!# peak 6880-----------------------------------------------
assi (attr store1 < 8.664 and attr store1 > 8.544)
    ((attr store1 < 0.993 and attr store1 > 0.933)
     and bondedto (attr store1 < 42.631 and attr store1 > 41.431))
6 6 0 peak 6880 volume 39622332 hpm1 42.031 ppm1 0.963 ppm2 8.604
!# peak 6881-----------------------------------------------
assi (attr store1 < 0.879 and attr store1 > 0.759)
    ((attr store1 < 3.397 and attr store1 > 3.337)
     and bondedto (attr store1 < 43.242 and attr store1 > 42.042))
6 6 0 peak 6881 volume 192003104 hpm1 42.642 ppm1 3.367 ppm2 0.819
!# peak 6882-----------------------------------------------
assi (attr store1 < 0.457 and attr store1 > 0.337)
    ((attr store1 < 3.394 and attr store1 > 3.334)
     and bondedto (attr store1 < 43.241 and attr store1 > 42.041))
6 6 0 peak 6882 volume 32658168 hpm1 42.641 ppm1 3.364 ppm2 0.397
!# peak 6883-----------------------------------------------
assi (attr store1 < 2.513 and attr store1 > 2.393)
    ((attr store1 < 3.395 and attr store1 > 3.335)
     and bondedto (attr store1 < 43.226 and attr store1 > 42.026))
6 6 0 peak 6883 volume 24283520 hpm1 42.626 ppm1 3.365 ppm2 2.453
!# peak 6884-----------------------------------------------
assi (attr store1 < 0.284 and attr store1 > 0.164)
    ((attr store1 < 3.399 and attr store1 > 3.339)
     and bondedto (attr store1 < 43.216 and attr store1 > 42.016))
6 6 0 peak 6884 volume 46937852 hpm1 42.616 ppm1 3.369 ppm2 0.224
!# peak 6885-----------------------------------------------
assi (attr store1 < 1.612 and attr store1 > 1.492)
    ((attr store1 < 3.279 and attr store1 > 3.219)
     and bondedto (attr store1 < 43.652 and attr store1 > 42.452))
6 6 0 peak 6885 volume 790628224 hpm1 43.052 ppm1 3.249 ppm2 1.552
!# peak 6886-----------------------------------------------
assi (attr store1 < 1.698 and attr store1 > 1.578)
    ((attr store1 < 3.194 and attr store1 > 3.134)
     and bondedto (attr store1 < 43.686 and attr store1 > 42.486))
6 6 0 peak 6886 volume 1406469888 hpm1 43.086 ppm1 3.164 ppm2 1.638
!# peak 6887-----------------------------------------------
assi (attr store1 < 2.384 and attr store1 > 2.264)
    ((attr store1 < 3.210 and attr store1 > 3.150)
     and bondedto (attr store1 < 43.799 and attr store1 > 42.599))
6 6 0 peak 6887 volume 80990360 hpm1 43.199 ppm1 3.180 ppm2 2.324
!# peak 6888-----------------------------------------------
assi (attr store1 < 1.253 and attr store1 > 1.133)
    ((attr store1 < 3.071 and attr store1 > 3.011)
     and bondedto (attr store1 < 44.347 and attr store1 > 43.147))
6 6 0 peak 6888 volume 30742822 hpm1 43.747 ppm1 3.041 ppm2 1.193
!# peak 6889-----------------------------------------------
assi (attr store1 < 1.256 and attr store1 > 1.136)
    ((attr store1 < 2.990 and attr store1 > 2.930)
     and bondedto (attr store1 < 44.351 and attr store1 > 43.151))
6 6 0 peak 6889 volume 6708811 hpm1 43.751 ppm1 2.960 ppm2 1.196
!# peak 6890-----------------------------------------------
assi (attr store1 < 1.032 and attr store1 > 0.912)
    ((attr store1 < 3.003 and attr store1 > 2.943)
     and bondedto (attr store1 < 44.347 and attr store1 > 43.147))
6 6 0 peak 6890 volume 45311740 hpm1 43.747 ppm1 2.973 ppm2 0.972
!# peak 6891-----------------------------------------------
assi (attr store1 < 1.022 and attr store1 > 0.902)
    ((attr store1 < 3.055 and attr store1 > 2.995)
     and bondedto (attr store1 < 44.353 and attr store1 > 43.153))
6 6 0 peak 6891 volume 28706930 hpm1 43.753 ppm1 3.025 ppm2 0.962
!# peak 6892-----------------------------------------------
assi (attr store1 < 0.600 and attr store1 > 0.480)
    ((attr store1 < 2.992 and attr store1 > 2.932)
     and bondedto (attr store1 < 44.376 and attr store1 > 43.176))
6 6 0 peak 6892 volume 51500560 hpm1 43.776 ppm1 2.962 ppm2 0.540
!# peak 6893-----------------------------------------------
assi (attr store1 < 0.469 and attr store1 > 0.349)
    ((attr store1 < 2.990 and attr store1 > 2.930)
     and bondedto (attr store1 < 44.333 and attr store1 > 43.133))
6 6 0 peak 6893 volume 60828824 hpm1 43.733 ppm1 2.960 ppm2 0.409
!# peak 6894-----------------------------------------------
assi (attr store1 < 0.433 and attr store1 > 0.313)
    ((attr store1 < 3.071 and attr store1 > 3.011)
     and bondedto (attr store1 < 44.346 and attr store1 > 43.146))
6 6 0 peak 6894 volume 50956208 hpm1 43.746 ppm1 3.041 ppm2 0.373
!# peak 6895-----------------------------------------------
assi (attr store1 < 0.600 and attr store1 > 0.480)
    ((attr store1 < 2.992 and attr store1 > 2.932)
     and bondedto (attr store1 < 44.376 and attr store1 > 43.176))
6 6 0 peak 6895 volume 51500560 hpm1 43.776 ppm1 2.962 ppm2 0.540
!# peak 6896-----------------------------------------------
assi (attr store1 < 0.580 and attr store1 > 0.460)
    ((attr store1 < 3.063 and attr store1 > 3.003)
     and bondedto (attr store1 < 44.286 and attr store1 > 43.086))
6 6 0 peak 6896 volume 75914696 hpm1 43.686 ppm1 3.033 ppm2 0.520
!# peak 6897-----------------------------------------------
assi (attr store1 < 5.146 and attr store1 > 5.026)
    ((attr store1 < 4.560 and attr store1 > 4.500)
     and bondedto (attr store1 < 42.815 and attr store1 > 41.615))
6 6 0 peak 6897 volume 48955960 hpm1 42.215 ppm1 4.530 ppm2 5.086
!# peak 6898-----------------------------------------------
assi (attr store1 < 4.785 and attr store1 > 4.665)
    ((attr store1 < 4.557 and attr store1 > 4.497)
     and bondedto (attr store1 < 42.817 and attr store1 > 41.617))
6 6 0 peak 6898 volume 198974912 hpm1 42.217 ppm1 4.527 ppm2 4.725
!# peak 6900-----------------------------------------------
assi (attr store1 < 4.159 and attr store1 > 4.039)
    ((attr store1 < 4.556 and attr store1 > 4.496)
     and bondedto (attr store1 < 42.812 and attr store1 > 41.612))
6 6 0 peak 6900 volume 295394912 hpm1 42.212 ppm1 4.526 ppm2 4.099
!# peak 6903-----------------------------------------------
assi (attr store1 < 4.788 and attr store1 > 4.668)
    ((attr store1 < 4.370 and attr store1 > 4.310)
     and bondedto (attr store1 < 44.581 and attr store1 > 43.381))
6 6 0 peak 6903 volume 235251200 hpm1 43.981 ppm1 4.340 ppm2 4.728
!# peak 6904-----------------------------------------------
assi (attr store1 < 4.557 and attr store1 > 4.437)
    ((attr store1 < 4.370 and attr store1 > 4.310)
     and bondedto (attr store1 < 44.577 and attr store1 > 43.377))
6 6 0 peak 6904 volume 2036526080 hpm1 43.977 ppm1 4.340 ppm2 4.497
!# peak 6914-----------------------------------------------
assi (attr store1 < 1.334 and attr store1 > 1.214)
    ((attr store1 < 4.370 and attr store1 > 4.310)
     and bondedto (attr store1 < 44.577 and attr store1 > 43.377))
6 6 0 peak 6914 volume 809285376 hpm1 43.977 ppm1 4.340 ppm2 1.274
!# peak 6915-----------------------------------------------
assi (attr store1 < 3.339 and attr store1 > 3.219)
    ((attr store1 < 1.916 and attr store1 > 1.856)
     and bondedto (attr store1 < 43.289 and attr store1 > 42.089))
6 6 0 peak 6915 volume 148102192 hpm1 42.689 ppm1 1.886 ppm2 3.279
!# peak 6916-----------------------------------------------
assi (attr store1 < 1.690 and attr store1 > 1.570)
    ((attr store1 < 1.280 and attr store1 > 1.220)
     and bondedto (attr store1 < 43.267 and attr store1 > 42.067))
6 6 0 peak 6916 volume 66149320 hpm1 42.667 ppm1 1.250 ppm2 1.630
!# peak 6917-----------------------------------------------
assi (attr store1 < 0.968 and attr store1 > 0.848)
    ((attr store1 < 1.418 and attr store1 > 1.358)
     and bondedto (attr store1 < 43.449 and attr store1 > 42.249))
6 6 0 peak 6917 volume 201953600 hpm1 42.849 ppm1 1.388 ppm2 0.908
!# peak 6918-----------------------------------------------
assi (attr store1 < 2.652 and attr store1 > 2.532)
    ((attr store1 < 1.915 and attr store1 > 1.855)
     and bondedto (attr store1 < 43.564 and attr store1 > 42.364))
6 6 0 peak 6918 volume 26852552 hpm1 42.964 ppm1 1.885 ppm2 2.592
!# peak 6919-----------------------------------------------
assi (attr store1 < 0.884 and attr store1 > 0.764)
    ((attr store1 < 1.916 and attr store1 > 1.856)
     and bondedto (attr store1 < 43.558 and attr store1 > 42.358))
6 6 0 peak 6919 volume 122731496 hpm1 42.958 ppm1 1.886 ppm2 0.824
!# peak 6920-----------------------------------------------
assi (attr store1 < 2.654 and attr store1 > 2.534)
    ((attr store1 < 1.010 and attr store1 > 0.950)
     and bondedto (attr store1 < 43.434 and attr store1 > 42.234))
6 6 0 peak 6920 volume 17771180 hpm1 42.834 ppm1 0.980 ppm2 2.594
!# peak 6921-----------------------------------------------
assi (attr store1 < 0.507 and attr store1 > 0.387)
    ((attr store1 < 1.020 and attr store1 > 0.960)
     and bondedto (attr store1 < 43.445 and attr store1 > 42.245))
6 6 0 peak 6921 volume 45394740 hpm1 42.845 ppm1 0.990 ppm2 0.447
!# peak 6922-----------------------------------------------
assi (attr store1 < 0.883 and attr store1 > 0.763)
    ((attr store1 < 1.012 and attr store1 > 0.952)
     and bondedto (attr store1 < 43.451 and attr store1 > 42.251))
6 6 0 peak 6922 volume 234802496 hpm1 42.851 ppm1 0.982 ppm2 0.823
!# peak 6923-----------------------------------------------
assi (attr store1 < 1.741 and attr store1 > 1.621)
    ((attr store1 < 1.012 and attr store1 > 0.952)
     and bondedto (attr store1 < 43.305 and attr store1 > 42.105))
6 6 0 peak 6923 volume 166863792 hpm1 42.705 ppm1 0.982 ppm2 1.681
!# peak 6924-----------------------------------------------
assi (attr store1 < 0.745 and attr store1 > 0.625)
    ((attr store1 < 1.017 and attr store1 > 0.957)
     and bondedto (attr store1 < 43.424 and attr store1 > 42.224))
6 6 0 peak 6924 volume 21656210 hpm1 42.824 ppm1 0.987 ppm2 0.685
!# peak 6925-----------------------------------------------
assi (attr store1 < 3.067 and attr store1 > 2.947)
    ((attr store1 < 1.371 and attr store1 > 1.311)
     and bondedto (attr store1 < 44.492 and attr store1 > 43.292))
6 6 0 peak 6925 volume 14459839 hpm1 43.892 ppm1 1.341 ppm2 3.007
!# peak 6926-----------------------------------------------
assi (attr store1 < 1.480 and attr store1 > 1.360)
    ((attr store1 < 1.622 and attr store1 > 1.562)
     and bondedto (attr store1 < 44.345 and attr store1 > 43.145))
6 6 0 peak 6926 volume 842412864 hpm1 43.745 ppm1 1.592 ppm2 1.420
!# peak 6927-----------------------------------------------
assi (attr store1 < 1.480 and attr store1 > 1.360)
    ((attr store1 < 1.622 and attr store1 > 1.562)
     and bondedto (attr store1 < 44.345 and attr store1 > 43.145))
6 6 0 peak 6927 volume 842412864 hpm1 43.745 ppm1 1.592 ppm2 1.420
!# peak 6928-----------------------------------------------
assi (attr store1 < 1.331 and attr store1 > 1.211)
    ((attr store1 < 1.617 and attr store1 > 1.557)
     and bondedto (attr store1 < 44.319 and attr store1 > 43.119))
6 6 0 peak 6928 volume 491959520 hpm1 43.719 ppm1 1.587 ppm2 1.271
!# peak 6929-----------------------------------------------
assi (attr store1 < 1.931 and attr store1 > 1.811)
    ((attr store1 < 1.622 and attr store1 > 1.562)
     and bondedto (attr store1 < 44.358 and attr store1 > 43.158))
6 6 0 peak 6929 volume 82641840 hpm1 43.758 ppm1 1.592 ppm2 1.871
!# peak 6930-----------------------------------------------
assi (attr store1 < 1.530 and attr store1 > 1.410)
    ((attr store1 < 1.755 and attr store1 > 1.695)
     and bondedto (attr store1 < 44.337 and attr store1 > 43.137))
6 6 0 peak 6930 volume 48573572 hpm1 43.737 ppm1 1.725 ppm2 1.470
!# peak 6931-----------------------------------------------
assi (attr store1 < 0.431 and attr store1 > 0.311)
    ((attr store1 < 1.759 and attr store1 > 1.699)
     and bondedto (attr store1 < 44.336 and attr store1 > 43.136))
6 6 0 peak 6931 volume 57234668 hpm1 43.736 ppm1 1.729 ppm2 0.371
!# peak 6932-----------------------------------------------
assi (attr store1 < 1.179 and attr store1 > 1.059)
    ((attr store1 < 1.753 and attr store1 > 1.693)
     and bondedto (attr store1 < 44.405 and attr store1 > 43.205))
6 6 0 peak 6932 volume 632212800 hpm1 43.805 ppm1 1.723 ppm2 1.119
!# peak 6933-----------------------------------------------
assi (attr store1 < 1.502 and attr store1 > 1.382)
    ((attr store1 < 2.024 and attr store1 > 1.964)
     and bondedto (attr store1 < 44.394 and attr store1 > 43.194))
6 6 0 peak 6933 volume 43335368 hpm1 43.794 ppm1 1.994 ppm2 1.442
!# peak 6934-----------------------------------------------
assi (attr store1 < 1.183 and attr store1 > 1.063)
    ((attr store1 < 2.022 and attr store1 > 1.962)
     and bondedto (attr store1 < 44.338 and attr store1 > 43.138))
6 6 0 peak 6934 volume 392435008 hpm1 43.738 ppm1 1.992 ppm2 1.123
!# peak 6936-----------------------------------------------
assi (attr store1 < 1.436 and attr store1 > 1.316)
    ((attr store1 < 1.531 and attr store1 > 1.471)
     and bondedto (attr store1 < 44.872 and attr store1 > 43.672))
6 6 0 peak 6936 volume 292206112 hpm1 44.272 ppm1 1.501 ppm2 1.376
!# peak 6937-----------------------------------------------
assi (attr store1 < 3.933 and attr store1 > 3.813)
    ((attr store1 < 0.990 and attr store1 > 0.930)
     and bondedto (attr store1 < 42.669 and attr store1 > 41.469))
6 6 0 peak 6937 volume 240563088 hpm1 42.069 ppm1 0.960 ppm2 3.873
!# peak 6938-----------------------------------------------
assi (attr store1 < 4.239 and attr store1 > 4.119)
    ((attr store1 < 1.136 and attr store1 > 1.076)
     and bondedto (attr store1 < 42.712 and attr store1 > 41.512))
6 6 0 peak 6938 volume 344224704 hpm1 42.112 ppm1 1.106 ppm2 4.179
!# peak 6939-----------------------------------------------
assi (attr store1 < 4.654 and attr store1 > 4.534)
    ((attr store1 < 1.130 and attr store1 > 1.070)
     and bondedto (attr store1 < 42.697 and attr store1 > 41.497))
6 6 0 peak 6939 volume 28172680 hpm1 42.097 ppm1 1.100 ppm2 4.594
!# peak 6940-----------------------------------------------
assi (attr store1 < 4.069 and attr store1 > 3.949)
    ((attr store1 < 1.279 and attr store1 > 1.219)
     and bondedto (attr store1 < 43.262 and attr store1 > 42.062))
6 6 0 peak 6940 volume 22000510 hpm1 42.662 ppm1 1.249 ppm2 4.009
!# peak 6941-----------------------------------------------
assi (attr store1 < 4.507 and attr store1 > 4.387)
    ((attr store1 < 1.281 and attr store1 > 1.221)
     and bondedto (attr store1 < 43.272 and attr store1 > 42.072))
6 6 0 peak 6941 volume 1251109 hpm1 42.672 ppm1 1.251 ppm2 4.447
!# peak 6942-----------------------------------------------
assi (attr store1 < 3.780 and attr store1 > 3.660)
    ((attr store1 < 1.026 and attr store1 > 0.966)
     and bondedto (attr store1 < 43.450 and attr store1 > 42.250))
6 6 0 peak 6942 volume 13023360 hpm1 42.850 ppm1 0.996 ppm2 3.720
!# peak 6943-----------------------------------------------
assi (attr store1 < 2.281 and attr store1 > 2.161)
    ((attr store1 < 0.619 and attr store1 > 0.559)
     and bondedto (attr store1 < 43.457 and attr store1 > 42.257))
6 6 0 peak 6943 volume 21592190 hpm1 42.857 ppm1 0.589 ppm2 2.221
!# peak 6944-----------------------------------------------
assi (attr store1 < 3.784 and attr store1 > 3.664)
    ((attr store1 < 1.917 and attr store1 > 1.857)
     and bondedto (attr store1 < 43.422 and attr store1 > 42.222))
6 6 0 peak 6944 volume 108885000 hpm1 42.822 ppm1 1.887 ppm2 3.724
!# peak 6945-----------------------------------------------
assi (attr store1 < 4.068 and attr store1 > 3.948)
    ((attr store1 < 1.459 and attr store1 > 1.399)
     and bondedto (attr store1 < 43.618 and attr store1 > 42.418))
6 6 0 peak 6945 volume 677644480 hpm1 43.018 ppm1 1.429 ppm2 4.008
!# peak 6946-----------------------------------------------
assi (attr store1 < 4.310 and attr store1 > 4.190)
    ((attr store1 < 1.459 and attr store1 > 1.399)
     and bondedto (attr store1 < 43.633 and attr store1 > 42.433))
6 6 0 peak 6946 volume 432197984 hpm1 43.033 ppm1 1.429 ppm2 4.250
!# peak 6947-----------------------------------------------
assi (attr store1 < 7.283 and attr store1 > 7.163)
    ((attr store1 < 3.396 and attr store1 > 3.336)
     and bondedto (attr store1 < 43.248 and attr store1 > 42.048))
6 6 0 peak 6947 volume 37801620 hpm1 42.648 ppm1 3.366 ppm2 7.223
!# peak 6948-----------------------------------------------
assi (attr store1 < 7.324 and attr store1 > 7.204)
    ((attr store1 < 2.830 and attr store1 > 2.770)
     and bondedto (attr store1 < 42.012 and attr store1 > 40.812))
6 6 0 peak 6948 volume 194550896 hpm1 41.412 ppm1 2.800 ppm2 7.264
!# peak 6949-----------------------------------------------
assi (attr store1 < 7.887 and attr store1 > 7.767)
    ((attr store1 < 2.779 and attr store1 > 2.719)
     and bondedto (attr store1 < 42.134 and attr store1 > 40.934))
6 6 0 peak 6949 volume 70656272 hpm1 41.534 ppm1 2.749 ppm2 7.827
!# peak 6950-----------------------------------------------
assi (attr store1 < 9.209 and attr store1 > 9.089)
    ((attr store1 < 2.761 and attr store1 > 2.701)
     and bondedto (attr store1 < 41.986 and attr store1 > 40.786))
6 6 0 peak 6950 volume 46710352 hpm1 41.386 ppm1 2.731 ppm2 9.149
!# peak 6952-----------------------------------------------
assi (attr store1 < 7.023 and attr store1 > 6.903)
    ((attr store1 < 2.394 and attr store1 > 2.334)
     and bondedto (attr store1 < 42.107 and attr store1 > 40.907))
6 6 0 peak 6952 volume 63944548 hpm1 41.507 ppm1 2.364 ppm2 6.963
!# peak 6953-----------------------------------------------
assi (attr store1 < 7.789 and attr store1 > 7.669)
    ((attr store1 < 2.987 and attr store1 > 2.927)
     and bondedto (attr store1 < 44.341 and attr store1 > 43.141))
6 6 0 peak 6953 volume 72481976 hpm1 43.741 ppm1 2.957 ppm2 7.729
!# peak 6954-----------------------------------------------
assi (attr store1 < 7.428 and attr store1 > 7.308)
    ((attr store1 < 2.014 and attr store1 > 1.954)
     and bondedto (attr store1 < 44.336 and attr store1 > 43.136))
6 6 0 peak 6954 volume 11768560 hpm1 43.736 ppm1 1.984 ppm2 7.368
!# peak 6955-----------------------------------------------
assi (attr store1 < 7.211 and attr store1 > 7.091)
    ((attr store1 < 2.026 and attr store1 > 1.966)
     and bondedto (attr store1 < 44.342 and attr store1 > 43.142))
6 6 0 peak 6955 volume 15937489 hpm1 43.742 ppm1 1.996 ppm2 7.151
!# peak 6956-----------------------------------------------
assi (attr store1 < 7.895 and attr store1 > 7.775)
    ((attr store1 < 2.027 and attr store1 > 1.967)
     and bondedto (attr store1 < 44.343 and attr store1 > 43.143))
6 6 0 peak 6956 volume 37844308 hpm1 43.743 ppm1 1.997 ppm2 7.835
!# peak 6957-----------------------------------------------
assi (attr store1 < 7.380 and attr store1 > 7.260)
    ((attr store1 < 1.622 and attr store1 > 1.562)
     and bondedto (attr store1 < 44.333 and attr store1 > 43.133))
6 6 0 peak 6957 volume 40255320 hpm1 43.733 ppm1 1.592 ppm2 7.320
!# peak 6958-----------------------------------------------
assi (attr store1 < 7.243 and attr store1 > 7.123)
    ((attr store1 < 1.099 and attr store1 > 1.039)
     and bondedto (attr store1 < 44.351 and attr store1 > 43.151))
6 6 0 peak 6958 volume 116875096 hpm1 43.751 ppm1 1.069 ppm2 7.183
!# peak 6959-----------------------------------------------
assi (attr store1 < 7.885 and attr store1 > 7.765)
    ((attr store1 < 1.031 and attr store1 > 0.971)
     and bondedto (attr store1 < 43.419 and attr store1 > 42.219))
6 6 0 peak 6959 volume 8908776 hpm1 42.819 ppm1 1.001 ppm2 7.825
!# peak 6960-----------------------------------------------
assi (attr store1 < 7.886 and attr store1 > 7.766)
    ((attr store1 < 1.917 and attr store1 > 1.857)
     and bondedto (attr store1 < 43.421 and attr store1 > 42.221))
6 6 0 peak 6960 volume 136652304 hpm1 42.821 ppm1 1.887 ppm2 7.826
!# peak 6961-----------------------------------------------
assi (attr store1 < 7.051 and attr store1 > 6.931)
    ((attr store1 < 1.920 and attr store1 > 1.860)
     and bondedto (attr store1 < 43.435 and attr store1 > 42.235))
6 6 0 peak 6961 volume 29066160 hpm1 42.835 ppm1 1.890 ppm2 6.991
!# peak 6962-----------------------------------------------
assi (attr store1 < 7.052 and attr store1 > 6.932)
    ((attr store1 < 1.053 and attr store1 > 0.993)
     and bondedto (attr store1 < 43.446 and attr store1 > 42.246))
6 6 0 peak 6962 volume 89043096 hpm1 42.846 ppm1 1.023 ppm2 6.992
!# peak 6963-----------------------------------------------
assi (attr store1 < 7.467 and attr store1 > 7.347)
    ((attr store1 < 1.476 and attr store1 > 1.416)
     and bondedto (attr store1 < 43.462 and attr store1 > 42.262))
6 6 0 peak 6963 volume 67853264 hpm1 42.862 ppm1 1.446 ppm2 7.407
!# peak 6964-----------------------------------------------
assi (attr store1 < 5.647 and attr store1 > 5.527)
    ((attr store1 < 4.120 and attr store1 > 4.060)
     and bondedto (attr store1 < 42.692 and attr store1 > 41.492))
6 6 0 peak 6964 volume 23623090 hpm1 42.092 ppm1 4.090 ppm2 5.587
!# peak 6965-----------------------------------------------
assi (attr store1 < 4.084 and attr store1 > 3.964)
    ((attr store1 < 3.396 and attr store1 > 3.336)
     and bondedto (attr store1 < 43.243 and attr store1 > 42.043))
6 6 0 peak 6965 volume 23160290 hpm1 42.643 ppm1 3.366 ppm2 4.024
!# peak 6966-----------------------------------------------
assi (attr store1 < 3.832 and attr store1 > 3.712)
    ((attr store1 < 3.396 and attr store1 > 3.336)
     and bondedto (attr store1 < 43.247 and attr store1 > 42.047))
6 6 0 peak 6966 volume 6213150 hpm1 42.647 ppm1 3.366 ppm2 3.772
!# peak 6967-----------------------------------------------
assi (attr store1 < 3.697 and attr store1 > 3.577)
    ((attr store1 < 3.396 and attr store1 > 3.336)
     and bondedto (attr store1 < 43.231 and attr store1 > 42.031))
6 6 0 peak 6967 volume 31889540 hpm1 42.631 ppm1 3.366 ppm2 3.637
!# peak 6968-----------------------------------------------
assi (attr store1 < 3.890 and attr store1 > 3.770)
    ((attr store1 < 4.015 and attr store1 > 3.955)
     and bondedto (attr store1 < 45.493 and attr store1 > 44.293))
6 6 0 peak 6968 volume 61853512 hpm1 44.893 ppm1 3.985 ppm2 3.830
!# peak 6971-----------------------------------------------
assi (attr store1 < 2.059 and attr store1 > 1.939)
    ((attr store1 < 0.981 and attr store1 > 0.921)
     and bondedto (attr store1 < 45.290 and attr store1 > 44.090))
6 6 0 peak 6971 volume 566699904 hpm1 44.690 ppm1 0.951 ppm2 1.999
!# peak 6972-----------------------------------------------
assi (attr store1 < 1.657 and attr store1 > 1.537)
    ((attr store1 < 0.978 and attr store1 > 0.918)
     and bondedto (attr store1 < 45.293 and attr store1 > 44.093))
6 6 0 peak 6972 volume 119039104 hpm1 44.693 ppm1 0.948 ppm2 1.597
!# peak 6973-----------------------------------------------
assi (attr store1 < 0.879 and attr store1 > 0.759)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 45.478 and attr store1 > 44.278))
6 6 0 peak 6973 volume 1599383936 hpm1 44.878 ppm1 0.618 ppm2 0.819
!# peak 6974-----------------------------------------------
assi (attr store1 < 2.058 and attr store1 > 1.938)
    ((attr store1 < 0.733 and attr store1 > 0.673)
     and bondedto (attr store1 < 45.482 and attr store1 > 44.282))
6 6 0 peak 6974 volume 565848576 hpm1 44.882 ppm1 0.703 ppm2 1.998
!# peak 6975-----------------------------------------------
assi (attr store1 < 2.059 and attr store1 > 1.939)
    ((attr store1 < 0.823 and attr store1 > 0.763)
     and bondedto (attr store1 < 45.469 and attr store1 > 44.269))
6 6 0 peak 6975 volume 303633600 hpm1 44.869 ppm1 0.793 ppm2 1.999
!# peak 6976-----------------------------------------------
assi (attr store1 < 1.575 and attr store1 > 1.455)
    ((attr store1 < 1.310 and attr store1 > 1.250)
     and bondedto (attr store1 < 45.857 and attr store1 > 44.657))
6 6 0 peak 6976 volume 732759872 hpm1 45.257 ppm1 1.280 ppm2 1.515
!# peak 6977-----------------------------------------------
assi (attr store1 < 2.919 and attr store1 > 2.799)
    ((attr store1 < 0.875 and attr store1 > 0.815)
     and bondedto (attr store1 < 46.211 and attr store1 > 45.011))
6 6 0 peak 6977 volume 52109420 hpm1 45.611 ppm1 0.845 ppm2 2.859
!# peak 6978-----------------------------------------------
assi (attr store1 < 4.113 and attr store1 > 3.993)
    ((attr store1 < 0.808 and attr store1 > 0.748)
     and bondedto (attr store1 < 45.463 and attr store1 > 44.263))
6 6 0 peak 6978 volume 296292320 hpm1 44.863 ppm1 0.778 ppm2 4.053
!# peak 6979-----------------------------------------------
assi (attr store1 < 4.333 and attr store1 > 4.213)
    ((attr store1 < 0.808 and attr store1 > 0.748)
     and bondedto (attr store1 < 45.469 and attr store1 > 44.269))
6 6 0 peak 6979 volume 509624480 hpm1 44.869 ppm1 0.778 ppm2 4.273
!# peak 6980-----------------------------------------------
assi (attr store1 < 3.661 and attr store1 > 3.541)
    ((attr store1 < 1.304 and attr store1 > 1.244)
     and bondedto (attr store1 < 45.845 and attr store1 > 44.645))
6 6 0 peak 6980 volume 38457880 hpm1 45.245 ppm1 1.274 ppm2 3.601
!# peak 6981-----------------------------------------------
assi (attr store1 < 4.561 and attr store1 > 4.441)
    ((attr store1 < 1.305 and attr store1 > 1.245)
     and bondedto (attr store1 < 45.893 and attr store1 > 44.693))
6 6 0 peak 6981 volume 497227712 hpm1 45.293 ppm1 1.275 ppm2 4.501
!# peak 6982-----------------------------------------------
assi (attr store1 < 2.738 and attr store1 > 2.618)
    ((attr store1 < 1.414 and attr store1 > 1.354)
     and bondedto (attr store1 < 46.251 and attr store1 > 45.051))
6 6 0 peak 6982 volume 53012300 hpm1 45.651 ppm1 1.384 ppm2 2.678
!# peak 6983-----------------------------------------------
assi (attr store1 < 0.836 and attr store1 > 0.716)
    ((attr store1 < 1.417 and attr store1 > 1.357)
     and bondedto (attr store1 < 46.209 and attr store1 > 45.009))
6 6 0 peak 6983 volume 147101200 hpm1 45.609 ppm1 1.387 ppm2 0.776
!# peak 6984-----------------------------------------------
assi (attr store1 < 8.102 and attr store1 > 7.982)
    ((attr store1 < 0.984 and attr store1 > 0.924)
     and bondedto (attr store1 < 45.292 and attr store1 > 44.092))
6 6 0 peak 6984 volume 36818960 hpm1 44.692 ppm1 0.954 ppm2 8.042
!# peak 6985-----------------------------------------------
assi (attr store1 < 7.877 and attr store1 > 7.757)
    ((attr store1 < 0.732 and attr store1 > 0.672)
     and bondedto (attr store1 < 45.471 and attr store1 > 44.271))
6 6 0 peak 6985 volume 13695270 hpm1 44.871 ppm1 0.702 ppm2 7.817
!# peak 6986-----------------------------------------------
assi (attr store1 < 7.660 and attr store1 > 7.540)
    ((attr store1 < 0.734 and attr store1 > 0.674)
     and bondedto (attr store1 < 45.475 and attr store1 > 44.275))
6 6 0 peak 6986 volume 19449470 hpm1 44.875 ppm1 0.704 ppm2 7.600
!# peak 6987-----------------------------------------------
assi (attr store1 < 6.913 and attr store1 > 6.793)
    ((attr store1 < 1.145 and attr store1 > 1.085)
     and bondedto (attr store1 < 45.670 and attr store1 > 44.470))
6 6 0 peak 6987 volume 0.2950138e+07 hpm1 45.070 ppm1 1.115 ppm2 6.853
!# peak 6988-----------------------------------------------
assi (attr store1 < 7.783 and attr store1 > 7.663)
    ((attr store1 < 1.147 and attr store1 > 1.087)
     and bondedto (attr store1 < 45.667 and attr store1 > 44.467))
6 6 0 peak 6988 volume 5050384 hpm1 45.067 ppm1 1.117 ppm2 7.723
!# peak 6989-----------------------------------------------
assi (attr store1 < 8.164 and attr store1 > 8.044)
    ((attr store1 < 0.524 and attr store1 > 0.464)
     and bondedto (attr store1 < 46.414 and attr store1 > 45.214))
6 6 0 peak 6989 volume 37485428 hpm1 45.814 ppm1 0.494 ppm2 8.104
!# peak 6990-----------------------------------------------
assi (attr store1 < 5.018 and attr store1 > 4.898)
    ((attr store1 < 4.370 and attr store1 > 4.310)
     and bondedto (attr store1 < 44.578 and attr store1 > 43.378))
6 6 0 peak 6990 volume 73442056 hpm1 43.978 ppm1 4.340 ppm2 4.958
!# peak 6991-----------------------------------------------
assi (attr store1 < 3.691 and attr store1 > 3.571)
    ((attr store1 < 3.956 and attr store1 > 3.896)
     and bondedto (attr store1 < 46.410 and attr store1 > 45.210))
6 6 0 peak 6991 volume 72944336 hpm1 45.810 ppm1 3.926 ppm2 3.631
!# peak 6992-----------------------------------------------
assi (attr store1 < 4.508 and attr store1 > 4.388)
    ((attr store1 < 4.270 and attr store1 > 4.210)
     and bondedto (attr store1 < 46.471 and attr store1 > 45.271))
6 6 0 peak 6992 volume 114437296 hpm1 45.871 ppm1 4.240 ppm2 4.448
!# peak 6993-----------------------------------------------
assi (attr store1 < 4.792 and attr store1 > 4.672)
    ((attr store1 < 4.264 and attr store1 > 4.204)
     and bondedto (attr store1 < 46.519 and attr store1 > 45.319))
6 6 0 peak 6993 volume 53155292 hpm1 45.919 ppm1 4.234 ppm2 4.732
!# peak 6994-----------------------------------------------
assi (attr store1 < 1.277 and attr store1 > 1.157)
    ((attr store1 < 4.273 and attr store1 > 4.213)
     and bondedto (attr store1 < 46.567 and attr store1 > 45.367))
6 6 0 peak 6994 volume 462693408 hpm1 45.967 ppm1 4.243 ppm2 1.217
!# peak 6995-----------------------------------------------
assi (attr store1 < 1.224 and attr store1 > 1.104)
    ((attr store1 < 4.012 and attr store1 > 3.952)
     and bondedto (attr store1 < 46.855 and attr store1 > 45.655))
6 6 0 peak 6995 volume 313195904 hpm1 46.255 ppm1 3.982 ppm2 1.164
!# peak 6996-----------------------------------------------
assi (attr store1 < 4.335 and attr store1 > 4.215)
    ((attr store1 < 3.992 and attr store1 > 3.932)
     and bondedto (attr store1 < 46.902 and attr store1 > 45.702))
6 6 0 peak 6996 volume 41017648 hpm1 46.302 ppm1 3.962 ppm2 4.275
!# peak 6998-----------------------------------------------
assi (attr store1 < 5.060 and attr store1 > 4.940)
    ((attr store1 < 4.232 and attr store1 > 4.172)
     and bondedto (attr store1 < 48.572 and attr store1 > 47.372))
6 6 0 peak 6998 volume 273842176 hpm1 47.972 ppm1 4.202 ppm2 5.000
!# peak 6999-----------------------------------------------
assi (attr store1 < 4.787 and attr store1 > 4.667)
    ((attr store1 < 4.232 and attr store1 > 4.172)
     and bondedto (attr store1 < 48.608 and attr store1 > 47.408))
6 6 0 peak 6999 volume 123939000 hpm1 48.008 ppm1 4.202 ppm2 4.727
!# peak 7000-----------------------------------------------
assi (attr store1 < 4.286 and attr store1 > 4.166)
    ((attr store1 < 4.232 and attr store1 > 4.172)
     and bondedto (attr store1 < 48.591 and attr store1 > 47.391))
6 6 0 peak 7000 volume 1415881088 hpm1 47.991 ppm1 4.202 ppm2 4.226
!# peak 7001-----------------------------------------------
assi (attr store1 < 1.331 and attr store1 > 1.211)
    ((attr store1 < 4.233 and attr store1 > 4.173)
     and bondedto (attr store1 < 48.586 and attr store1 > 47.386))
6 6 0 peak 7001 volume 493075904 hpm1 47.986 ppm1 4.203 ppm2 1.271
!# peak 7002-----------------------------------------------
assi (attr store1 < 0.861 and attr store1 > 0.741)
    ((attr store1 < 4.233 and attr store1 > 4.173)
     and bondedto (attr store1 < 48.921 and attr store1 > 47.721))
6 6 0 peak 7002 volume 77913656 hpm1 48.321 ppm1 4.203 ppm2 0.801
!# peak 7003-----------------------------------------------
assi (attr store1 < 0.722 and attr store1 > 0.602)
    ((attr store1 < 4.233 and attr store1 > 4.173)
     and bondedto (attr store1 < 48.925 and attr store1 > 47.725))
6 6 0 peak 7003 volume 147981904 hpm1 48.325 ppm1 4.203 ppm2 0.662
!# peak 7004-----------------------------------------------
assi (attr store1 < 1.505 and attr store1 > 1.385)
    ((attr store1 < 3.642 and attr store1 > 3.582)
     and bondedto (attr store1 < 49.179 and attr store1 > 47.979))
6 6 0 peak 7004 volume 94609008 hpm1 48.579 ppm1 3.612 ppm2 1.445
!# peak 7005-----------------------------------------------
assi (attr store1 < 3.922 and attr store1 > 3.802)
    ((attr store1 < 3.635 and attr store1 > 3.575)
     and bondedto (attr store1 < 49.196 and attr store1 > 47.996))
6 6 0 peak 7005 volume 0.9463261e+06 hpm1 48.596 ppm1 3.605 ppm2 3.862
!# peak 7006-----------------------------------------------
assi (attr store1 < 1.870 and attr store1 > 1.750)
    ((attr store1 < 0.524 and attr store1 > 0.464)
     and bondedto (attr store1 < 46.425 and attr store1 > 45.225))
6 6 0 peak 7006 volume 107125600 hpm1 45.825 ppm1 0.494 ppm2 1.810
!# peak 7007-----------------------------------------------
assi (attr store1 < 0.882 and attr store1 > 0.762)
    ((attr store1 < 0.521 and attr store1 > 0.461)
     and bondedto (attr store1 < 46.419 and attr store1 > 45.219))
6 6 0 peak 7007 volume 396499104 hpm1 45.819 ppm1 0.491 ppm2 0.822
!# peak 7008-----------------------------------------------
assi (attr store1 < 0.875 and attr store1 > 0.755)
    ((attr store1 < 1.008 and attr store1 > 0.948)
     and bondedto (attr store1 < 46.600 and attr store1 > 45.400))
6 6 0 peak 7008 volume 1616955008 hpm1 46.000 ppm1 0.978 ppm2 0.815
!# peak 7012-----------------------------------------------
assi (attr store1 < 5.020 and attr store1 > 4.900)
    ((attr store1 < 1.282 and attr store1 > 1.222)
     and bondedto (attr store1 < 46.600 and attr store1 > 45.400))
6 6 0 peak 7012 volume 230688400 hpm1 46.000 ppm1 1.252 ppm2 4.960





!# peak 7014-----------------------------------------------
assi (attr store1 < 4.198 and attr store1 > 4.078)
    ((attr store1 < 1.291 and attr store1 > 1.231)
     and bondedto (attr store1 < 46.633 and attr store1 > 45.433))
6 6 0 peak 7014 volume 46284940 hpm1 46.033 ppm1 1.261 ppm2 4.138
!# peak 7015-----------------------------------------------
assi (attr store1 < 2.508 and attr store1 > 2.388)
    ((attr store1 < 0.866 and attr store1 > 0.806)
     and bondedto (attr store1 < 47.137 and attr store1 > 45.937))
6 6 0 peak 7015 volume 205901696 hpm1 46.537 ppm1 0.836 ppm2 2.448
!# peak 7016-----------------------------------------------
assi (attr store1 < 2.428 and attr store1 > 2.308)
    ((attr store1 < 0.805 and attr store1 > 0.745)
     and bondedto (attr store1 < 47.182 and attr store1 > 45.982))
6 6 0 peak 7016 volume 177793200 hpm1 46.582 ppm1 0.775 ppm2 2.368
!# peak 7019-----------------------------------------------
assi (attr store1 < 2.050 and attr store1 > 1.930)
    ((attr store1 < 0.804 and attr store1 > 0.744)
     and bondedto (attr store1 < 47.185 and attr store1 > 45.985))
6 6 0 peak 7019 volume 566228480 hpm1 46.585 ppm1 0.774 ppm2 1.990
!# peak 7020-----------------------------------------------
assi (attr store1 < 1.831 and attr store1 > 1.711)
    ((attr store1 < 0.803 and attr store1 > 0.743)
     and bondedto (attr store1 < 47.113 and attr store1 > 45.913))
6 6 0 peak 7020 volume 839300800 hpm1 46.513 ppm1 0.773 ppm2 1.771
!# peak 7021-----------------------------------------------
assi (attr store1 < 1.794 and attr store1 > 1.674)
    ((attr store1 < 0.915 and attr store1 > 0.855)
     and bondedto (attr store1 < 47.176 and attr store1 > 45.976))
6 6 0 peak 7021 volume 969241920 hpm1 46.576 ppm1 0.885 ppm2 1.734
!# peak 7022-----------------------------------------------
assi (attr store1 < 1.650 and attr store1 > 1.530)
    ((attr store1 < 0.867 and attr store1 > 0.807)
     and bondedto (attr store1 < 47.136 and attr store1 > 45.936))
6 6 0 peak 7022 volume 1319375872 hpm1 46.536 ppm1 0.837 ppm2 1.590
!# peak 7023-----------------------------------------------
assi (attr store1 < 1.418 and attr store1 > 1.298)
    ((attr store1 < 0.869 and attr store1 > 0.809)
     and bondedto (attr store1 < 47.146 and attr store1 > 45.946))
6 6 0 peak 7023 volume 1118268032 hpm1 46.546 ppm1 0.839 ppm2 1.358
!# peak 7024-----------------------------------------------
assi (attr store1 < 1.384 and attr store1 > 1.264)
    ((attr store1 < 0.913 and attr store1 > 0.853)
     and bondedto (attr store1 < 47.185 and attr store1 > 45.985))
6 6 0 peak 7024 volume 418041600 hpm1 46.585 ppm1 0.883 ppm2 1.324
!# peak 7025-----------------------------------------------
assi (attr store1 < 1.385 and attr store1 > 1.265)
    ((attr store1 < 0.806 and attr store1 > 0.746)
     and bondedto (attr store1 < 47.190 and attr store1 > 45.990))
6 6 0 peak 7025 volume 777736576 hpm1 46.590 ppm1 0.776 ppm2 1.325
!# peak 7026-----------------------------------------------
assi (attr store1 < 2.200 and attr store1 > 2.080)
    ((attr store1 < 1.011 and attr store1 > 0.951)
     and bondedto (attr store1 < 47.006 and attr store1 > 45.806))
6 6 0 peak 7026 volume 389607008 hpm1 46.406 ppm1 0.981 ppm2 2.140
!# peak 7027-----------------------------------------------
assi (attr store1 < 2.061 and attr store1 > 1.941)
    ((attr store1 < 1.007 and attr store1 > 0.947)
     and bondedto (attr store1 < 47.020 and attr store1 > 45.820))
6 6 0 peak 7027 volume 489298400 hpm1 46.420 ppm1 0.977 ppm2 2.001
!# peak 7028-----------------------------------------------
assi (attr store1 < 1.830 and attr store1 > 1.710)
    ((attr store1 < 1.008 and attr store1 > 0.948)
     and bondedto (attr store1 < 46.866 and attr store1 > 45.666))
6 6 0 peak 7028 volume 431270080 hpm1 46.266 ppm1 0.978 ppm2 1.770
!# peak 7029-----------------------------------------------
assi (attr store1 < 0.700 and attr store1 > 0.580)
    ((attr store1 < 0.865 and attr store1 > 0.805)
     and bondedto (attr store1 < 47.138 and attr store1 > 45.938))
6 6 0 peak 7029 volume 0.4014832e+10 hpm1 46.538 ppm1 0.835 ppm2 0.640
!# peak 7030-----------------------------------------------
assi (attr store1 < 1.052 and attr store1 > 0.932)
    ((attr store1 < 0.802 and attr store1 > 0.742)
     and bondedto (attr store1 < 47.129 and attr store1 > 45.929))
6 6 0 peak 7030 volume 0.8173623e+10 hpm1 46.529 ppm1 0.772 ppm2 0.992
!# peak 7031-----------------------------------------------
assi (attr store1 < 1.698 and attr store1 > 1.578)
    ((attr store1 < 0.463 and attr store1 > 0.403)
     and bondedto (attr store1 < 47.236 and attr store1 > 46.036))
6 6 0 peak 7031 volume 914371072 hpm1 46.636 ppm1 0.433 ppm2 1.638
!# peak 7032-----------------------------------------------
assi (attr store1 < 0.612 and attr store1 > 0.492)
    ((attr store1 < 0.387 and attr store1 > 0.327)
     and bondedto (attr store1 < 48.095 and attr store1 > 46.895))
6 6 0 peak 7032 volume 543183808 hpm1 47.495 ppm1 0.357 ppm2 0.552
!# peak 7033-----------------------------------------------
assi (attr store1 < 2.060 and attr store1 > 1.940)
    ((attr store1 < 0.377 and attr store1 > 0.317)
     and bondedto (attr store1 < 48.074 and attr store1 > 46.874))
6 6 0 peak 7033 volume 42386900 hpm1 47.474 ppm1 0.347 ppm2 2.000
!# peak 7034-----------------------------------------------
assi (attr store1 < 1.289 and attr store1 > 1.169)
    ((attr store1 < 0.381 and attr store1 > 0.321)
     and bondedto (attr store1 < 48.087 and attr store1 > 46.887))
6 6 0 peak 7034 volume 269943200 hpm1 47.487 ppm1 0.351 ppm2 1.229
!# peak 7035-----------------------------------------------
assi (attr store1 < 3.705 and attr store1 > 3.585)
    ((attr store1 < 0.419 and attr store1 > 0.359)
     and bondedto (attr store1 < 46.761 and attr store1 > 45.561))
6 6 0 peak 7035 volume 4899033 hpm1 46.161 ppm1 0.389 ppm2 3.645
!# peak 7036-----------------------------------------------
assi (attr store1 < 4.509 and attr store1 > 4.389)
    ((attr store1 < 0.865 and attr store1 > 0.805)
     and bondedto (attr store1 < 47.007 and attr store1 > 45.807))
6 6 0 peak 7036 volume 224947200 hpm1 46.407 ppm1 0.835 ppm2 4.449
!# peak 7037-----------------------------------------------
assi (attr store1 < 3.434 and attr store1 > 3.314)
    ((attr store1 < 0.852 and attr store1 > 0.792)
     and bondedto (attr store1 < 47.004 and attr store1 > 45.804))
6 6 0 peak 7037 volume 107866896 hpm1 46.404 ppm1 0.822 ppm2 3.374
!# peak 7038-----------------------------------------------
assi (attr store1 < 3.102 and attr store1 > 2.982)
    ((attr store1 < 0.867 and attr store1 > 0.807)
     and bondedto (attr store1 < 46.993 and attr store1 > 45.793))
6 6 0 peak 7038 volume 66037868 hpm1 46.393 ppm1 0.837 ppm2 3.042
!# peak 7039-----------------------------------------------
assi (attr store1 < 4.525 and attr store1 > 4.405)
    ((attr store1 < 0.795 and attr store1 > 0.735)
     and bondedto (attr store1 < 47.271 and attr store1 > 46.071))
6 6 0 peak 7039 volume 354862592 hpm1 46.671 ppm1 0.765 ppm2 4.465
!# peak 7040-----------------------------------------------
assi (attr store1 < 3.891 and attr store1 > 3.771)
    ((attr store1 < 1.171 and attr store1 > 1.111)
     and bondedto (attr store1 < 46.942 and attr store1 > 45.742))
6 6 0 peak 7040 volume 122200696 hpm1 46.342 ppm1 1.141 ppm2 3.831
!# peak 7041-----------------------------------------------
assi (attr store1 < 3.649 and attr store1 > 3.529)
    ((attr store1 < -0.217 and attr store1 > -0.277)
     and bondedto (attr store1 < 47.300 and attr store1 > 46.100))
6 6 0 peak 7041 volume 64640288 hpm1 46.700 ppm1 -0.247 ppm2 3.589
!# peak 7042-----------------------------------------------
assi (attr store1 < 4.608 and attr store1 > 4.488)
    ((attr store1 < -0.218 and attr store1 > -0.278)
     and bondedto (attr store1 < 47.315 and attr store1 > 46.115))
6 6 0 peak 7042 volume 63698308 hpm1 46.715 ppm1 -0.248 ppm2 4.548
!# peak 7043-----------------------------------------------
assi (attr store1 < 0.335 and attr store1 > 0.215)
    ((attr store1 < 1.443 and attr store1 > 1.383)
     and bondedto (attr store1 < 48.645 and attr store1 > 47.445))
6 6 0 peak 7043 volume 199178096 hpm1 48.045 ppm1 1.413 ppm2 0.275
!# peak 7044-----------------------------------------------
assi (attr store1 < 0.606 and attr store1 > 0.486)
    ((attr store1 < 1.443 and attr store1 > 1.383)
     and bondedto (attr store1 < 48.657 and attr store1 > 47.457))
6 6 0 peak 7044 volume 187694304 hpm1 48.057 ppm1 1.413 ppm2 0.546
!# peak 7045-----------------------------------------------
assi (attr store1 < 0.744 and attr store1 > 0.624)
    ((attr store1 < 1.443 and attr store1 > 1.383)
     and bondedto (attr store1 < 48.651 and attr store1 > 47.451))
6 6 0 peak 7045 volume 201034208 hpm1 48.051 ppm1 1.413 ppm2 0.684
!# peak 7046-----------------------------------------------
assi (attr store1 < 1.783 and attr store1 > 1.663)
    ((attr store1 < 1.444 and attr store1 > 1.384)
     and bondedto (attr store1 < 48.679 and attr store1 > 47.479))
6 6 0 peak 7046 volume 1984920064 hpm1 48.079 ppm1 1.414 ppm2 1.723
!# peak 7047-----------------------------------------------
assi (attr store1 < 2.066 and attr store1 > 1.946)
    ((attr store1 < 1.445 and attr store1 > 1.385)
     and bondedto (attr store1 < 48.648 and attr store1 > 47.448))
6 6 0 peak 7047 volume 254447904 hpm1 48.048 ppm1 1.415 ppm2 2.006
!# peak 7048-----------------------------------------------
assi (attr store1 < 2.819 and attr store1 > 2.699)
    ((attr store1 < 1.444 and attr store1 > 1.384)
     and bondedto (attr store1 < 48.639 and attr store1 > 47.439))
6 6 0 peak 7048 volume 28736388 hpm1 48.039 ppm1 1.414 ppm2 2.759
!# peak 7049-----------------------------------------------
assi (attr store1 < 4.157 and attr store1 > 4.037)
    ((attr store1 < 1.445 and attr store1 > 1.385)
     and bondedto (attr store1 < 48.651 and attr store1 > 47.451))
6 6 0 peak 7049 volume 105609000 hpm1 48.051 ppm1 1.415 ppm2 4.097
!# peak 7050-----------------------------------------------
assi (attr store1 < 2.981 and attr store1 > 2.861)
    ((attr store1 < 0.192 and attr store1 > 0.132)
     and bondedto (attr store1 < 48.648 and attr store1 > 47.448))
6 6 0 peak 7050 volume 24013830 hpm1 48.048 ppm1 0.162 ppm2 2.921
!# peak 7051-----------------------------------------------
assi (attr store1 < 3.789 and attr store1 > 3.669)
    ((attr store1 < 0.210 and attr store1 > 0.150)
     and bondedto (attr store1 < 48.641 and attr store1 > 47.441))
6 6 0 peak 7051 volume 58179552 hpm1 48.041 ppm1 0.180 ppm2 3.729
!# peak 7052-----------------------------------------------
assi (attr store1 < 0.502 and attr store1 > 0.382)
    ((attr store1 < 0.212 and attr store1 > 0.152)
     and bondedto (attr store1 < 48.653 and attr store1 > 47.453))
6 6 0 peak 7052 volume 1341760000 hpm1 48.053 ppm1 0.182 ppm2 0.442
!# peak 7053-----------------------------------------------
assi (attr store1 < 1.512 and attr store1 > 1.392)
    ((attr store1 < 0.209 and attr store1 > 0.149)
     and bondedto (attr store1 < 48.629 and attr store1 > 47.429))
6 6 0 peak 7053 volume 39260252 hpm1 48.029 ppm1 0.179 ppm2 1.452
!# peak 7054-----------------------------------------------
assi (attr store1 < 1.982 and attr store1 > 1.862)
    ((attr store1 < 0.211 and attr store1 > 0.151)
     and bondedto (attr store1 < 48.639 and attr store1 > 47.439))
6 6 0 peak 7054 volume 280824000 hpm1 48.039 ppm1 0.181 ppm2 1.922
!# peak 7055-----------------------------------------------
assi (attr store1 < 1.788 and attr store1 > 1.668)
    ((attr store1 < 0.979 and attr store1 > 0.919)
     and bondedto (attr store1 < 48.750 and attr store1 > 47.550))
6 6 0 peak 7055 volume 410412800 hpm1 48.150 ppm1 0.949 ppm2 1.728
!# peak 7056-----------------------------------------------
assi (attr store1 < 1.822 and attr store1 > 1.702)
    ((attr store1 < 1.325 and attr store1 > 1.265)
     and bondedto (attr store1 < 48.852 and attr store1 > 47.652))
6 6 0 peak 7056 volume 1587087104 hpm1 48.252 ppm1 1.295 ppm2 1.762
!# peak 7057-----------------------------------------------
assi (attr store1 < 3.061 and attr store1 > 2.941)
    ((attr store1 < 1.325 and attr store1 > 1.265)
     and bondedto (attr store1 < 48.870 and attr store1 > 47.670))
6 6 0 peak 7057 volume 59672524 hpm1 48.270 ppm1 1.295 ppm2 3.001
!# peak 7058-----------------------------------------------
assi (attr store1 < 3.430 and attr store1 > 3.310)
    ((attr store1 < 1.324 and attr store1 > 1.264)
     and bondedto (attr store1 < 48.834 and attr store1 > 47.634))
6 6 0 peak 7058 volume 5987451 hpm1 48.234 ppm1 1.294 ppm2 3.370
!# peak 7059-----------------------------------------------
assi (attr store1 < 1.183 and attr store1 > 1.063)
    ((attr store1 < 1.446 and attr store1 > 1.386)
     and bondedto (attr store1 < 48.670 and attr store1 > 47.470))
6 6 0 peak 7059 volume 305608512 hpm1 48.070 ppm1 1.416 ppm2 1.123
!# peak 7060-----------------------------------------------
assi (attr store1 < 1.346 and attr store1 > 1.226)
    ((attr store1 < 1.440 and attr store1 > 1.380)
     and bondedto (attr store1 < 48.670 and attr store1 > 47.470))
6 6 0 peak 7060 volume 0.2825885e+10 hpm1 48.070 ppm1 1.410 ppm2 1.286
!# peak 7061-----------------------------------------------
assi (attr store1 < 1.793 and attr store1 > 1.673)
    ((attr store1 < 0.554 and attr store1 > 0.494)
     and bondedto (attr store1 < 49.339 and attr store1 > 48.139))
6 6 0 peak 7061 volume 319099808 hpm1 48.739 ppm1 0.524 ppm2 1.733
!# peak 7062-----------------------------------------------
assi (attr store1 < 0.431 and attr store1 > 0.311)
    ((attr store1 < 0.534 and attr store1 > 0.474)
     and bondedto (attr store1 < 49.293 and attr store1 > 48.093))
6 6 0 peak 7062 volume 554831680 hpm1 48.693 ppm1 0.504 ppm2 0.371
!# peak 7063-----------------------------------------------
assi (attr store1 < 2.166 and attr store1 > 2.046)
    ((attr store1 < 1.868 and attr store1 > 1.808)
     and bondedto (attr store1 < 49.228 and attr store1 > 48.028))
6 6 0 peak 7063 volume 264207984 hpm1 48.628 ppm1 1.838 ppm2 2.106
!# peak 7064-----------------------------------------------
assi (attr store1 < 1.752 and attr store1 > 1.632)
    ((attr store1 < 0.784 and attr store1 > 0.724)
     and bondedto (attr store1 < 49.414 and attr store1 > 48.214))
6 6 0 peak 7064 volume 561914816 hpm1 48.814 ppm1 0.754 ppm2 1.692
!# peak 7065-----------------------------------------------
assi (attr store1 < 1.928 and attr store1 > 1.808)
    ((attr store1 < 1.348 and attr store1 > 1.288)
     and bondedto (attr store1 < 49.430 and attr store1 > 48.230))
6 6 0 peak 7065 volume 539724608 hpm1 48.830 ppm1 1.318 ppm2 1.868
!# peak 7066-----------------------------------------------
assi (attr store1 < 1.783 and attr store1 > 1.663)
    ((attr store1 < 1.462 and attr store1 > 1.402)
     and bondedto (attr store1 < 49.401 and attr store1 > 48.201))
6 6 0 peak 7066 volume 0.381009e+10 hpm1 48.801 ppm1 1.432 ppm2 1.723
!# peak 7067-----------------------------------------------
assi (attr store1 < 2.642 and attr store1 > 2.522)
    ((attr store1 < 1.353 and attr store1 > 1.293)
     and bondedto (attr store1 < 49.587 and attr store1 > 48.387))
6 6 0 peak 7067 volume 68103776 hpm1 48.987 ppm1 1.323 ppm2 2.582
!# peak 7068-----------------------------------------------
assi (attr store1 < 2.424 and attr store1 > 2.304)
    ((attr store1 < 0.710 and attr store1 > 0.650)
     and bondedto (attr store1 < 49.795 and attr store1 > 48.595))
6 6 0 peak 7068 volume 139499392 hpm1 49.195 ppm1 0.680 ppm2 2.364
!# peak 7069-----------------------------------------------
assi (attr store1 < 1.338 and attr store1 > 1.218)
    ((attr store1 < 0.712 and attr store1 > 0.652)
     and bondedto (attr store1 < 49.793 and attr store1 > 48.593))
6 6 0 peak 7069 volume 625932672 hpm1 49.193 ppm1 0.682 ppm2 1.278
!# peak 7070-----------------------------------------------
assi (attr store1 < 1.702 and attr store1 > 1.582)
    ((attr store1 < 0.711 and attr store1 > 0.651)
     and bondedto (attr store1 < 49.796 and attr store1 > 48.596))
6 6 0 peak 7070 volume 1291058944 hpm1 49.196 ppm1 0.681 ppm2 1.642
!# peak 7071-----------------------------------------------
assi (attr store1 < 1.971 and attr store1 > 1.851)
    ((attr store1 < 1.598 and attr store1 > 1.538)
     and bondedto (attr store1 < 49.642 and attr store1 > 48.442))
6 6 0 peak 7071 volume 912894400 hpm1 49.042 ppm1 1.568 ppm2 1.911
!# peak 7072-----------------------------------------------
assi (attr store1 < 1.785 and attr store1 > 1.665)
    ((attr store1 < 1.597 and attr store1 > 1.537)
     and bondedto (attr store1 < 49.669 and attr store1 > 48.469))
6 6 0 peak 7072 volume 0.2788365e+10 hpm1 49.069 ppm1 1.567 ppm2 1.725
!# peak 7073-----------------------------------------------
assi (attr store1 < 3.283 and attr store1 > 3.163)
    ((attr store1 < 0.647 and attr store1 > 0.587)
     and bondedto (attr store1 < 49.961 and attr store1 > 48.761))
6 6 0 peak 7073 volume 89857512 hpm1 49.361 ppm1 0.617 ppm2 3.223
!# peak 7074-----------------------------------------------
assi (attr store1 < 1.521 and attr store1 > 1.401)
    ((attr store1 < 0.714 and attr store1 > 0.654)
     and bondedto (attr store1 < 49.787 and attr store1 > 48.587))
6 6 0 peak 7074 volume 1024136960 hpm1 49.187 ppm1 0.684 ppm2 1.461
!# peak 7075-----------------------------------------------
assi (attr store1 < 1.787 and attr store1 > 1.667)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 49.955 and attr store1 > 48.755))
6 6 0 peak 7075 volume 1061929024 hpm1 49.355 ppm1 0.618 ppm2 1.727
!# peak 7076-----------------------------------------------
assi (attr store1 < 1.053 and attr store1 > 0.933)
    ((attr store1 < 0.650 and attr store1 > 0.590)
     and bondedto (attr store1 < 49.949 and attr store1 > 48.749))
6 6 0 peak 7076 volume 131305200 hpm1 49.349 ppm1 0.620 ppm2 0.993
!# peak 7077-----------------------------------------------
assi (attr store1 < 0.887 and attr store1 > 0.767)
    ((attr store1 < 0.649 and attr store1 > 0.589)
     and bondedto (attr store1 < 49.970 and attr store1 > 48.770))
6 6 0 peak 7077 volume 0.7489866e+10 hpm1 49.370 ppm1 0.619 ppm2 0.827
!# peak 7078-----------------------------------------------
assi (attr store1 < 1.840 and attr store1 > 1.720)
    ((attr store1 < 0.988 and attr store1 > 0.928)
     and bondedto (attr store1 < 50.168 and attr store1 > 48.968))
6 6 0 peak 7078 volume 335918400 hpm1 49.568 ppm1 0.958 ppm2 1.780
!# peak 7079-----------------------------------------------
assi (attr store1 < 0.841 and attr store1 > 0.721)
    ((attr store1 < 0.988 and attr store1 > 0.928)
     and bondedto (attr store1 < 50.157 and attr store1 > 48.957))
6 6 0 peak 7079 volume 0.1036709e+11 hpm1 49.557 ppm1 0.958 ppm2 0.781
!# peak 7080-----------------------------------------------
assi (attr store1 < 4.104 and attr store1 > 3.984)
    ((attr store1 < 0.376 and attr store1 > 0.316)
     and bondedto (attr store1 < 48.085 and attr store1 > 46.885))
6 6 0 peak 7080 volume 27738220 hpm1 47.485 ppm1 0.346 ppm2 4.044
!# peak 7081-----------------------------------------------
assi (attr store1 < 8.084 and attr store1 > 7.964)
    ((attr store1 < 0.378 and attr store1 > 0.318)
     and bondedto (attr store1 < 48.095 and attr store1 > 46.895))
6 6 0 peak 7081 volume 17251340 hpm1 47.495 ppm1 0.348 ppm2 8.024
!# peak 7082-----------------------------------------------
assi (attr store1 < 9.103 and attr store1 > 8.983)
    ((attr store1 < 1.447 and attr store1 > 1.387)
     and bondedto (attr store1 < 48.643 and attr store1 > 47.443))
6 6 0 peak 7082 volume 25404272 hpm1 48.043 ppm1 1.417 ppm2 9.043
!# peak 7083-----------------------------------------------
assi (attr store1 < 4.069 and attr store1 > 3.949)
    ((attr store1 < 1.322 and attr store1 > 1.262)
     and bondedto (attr store1 < 48.937 and attr store1 > 47.737))
6 6 0 peak 7083 volume 439037216 hpm1 48.337 ppm1 1.292 ppm2 4.009
!# peak 7084-----------------------------------------------
assi (attr store1 < 8.047 and attr store1 > 7.927)
    ((attr store1 < 1.327 and attr store1 > 1.267)
     and bondedto (attr store1 < 48.848 and attr store1 > 47.648))
6 6 0 peak 7084 volume 19383660 hpm1 48.248 ppm1 1.297 ppm2 7.987
!# peak 7085-----------------------------------------------
assi (attr store1 < 3.914 and attr store1 > 3.794)
    ((attr store1 < 1.482 and attr store1 > 1.422)
     and bondedto (attr store1 < 49.520 and attr store1 > 48.320))
6 6 0 peak 7085 volume 187652896 hpm1 48.920 ppm1 1.452 ppm2 3.854
!# peak 7086-----------------------------------------------
assi (attr store1 < 3.104 and attr store1 > 2.984)
    ((attr store1 < 1.472 and attr store1 > 1.412)
     and bondedto (attr store1 < 49.565 and attr store1 > 48.365))
6 6 0 peak 7086 volume 250329696 hpm1 48.965 ppm1 1.442 ppm2 3.044
!# peak 7087-----------------------------------------------
assi (attr store1 < 7.395 and attr store1 > 7.275)
    ((attr store1 < 0.116 and attr store1 > 0.056)
     and bondedto (attr store1 < 49.732 and attr store1 > 48.532))
6 6 0 peak 7087 volume 26412340 hpm1 49.132 ppm1 0.086 ppm2 7.335
!# peak 7088-----------------------------------------------
assi (attr store1 < 7.867 and attr store1 > 7.747)
    ((attr store1 < 0.554 and attr store1 > 0.494)
     and bondedto (attr store1 < 49.800 and attr store1 > 48.600))
6 6 0 peak 7088 volume 8990783 hpm1 49.200 ppm1 0.524 ppm2 7.807
!# peak 7089-----------------------------------------------
assi (attr store1 < 8.060 and attr store1 > 7.940)
    ((attr store1 < 0.554 and attr store1 > 0.494)
     and bondedto (attr store1 < 49.817 and attr store1 > 48.617))
6 6 0 peak 7089 volume 0.3720455e+07 hpm1 49.217 ppm1 0.524 ppm2 8.000
!# peak 7090-----------------------------------------------
assi (attr store1 < 8.345 and attr store1 > 8.225)
    ((attr store1 < 0.571 and attr store1 > 0.511)
     and bondedto (attr store1 < 49.737 and attr store1 > 48.537))
6 6 0 peak 7090 volume 19045490 hpm1 49.137 ppm1 0.541 ppm2 8.285
!# peak 7091-----------------------------------------------
assi (attr store1 < 8.572 and attr store1 > 8.452)
    ((attr store1 < 0.557 and attr store1 > 0.497)
     and bondedto (attr store1 < 49.764 and attr store1 > 48.564))
6 6 0 peak 7091 volume 24425500 hpm1 49.164 ppm1 0.527 ppm2 8.512
!# peak 7092-----------------------------------------------
assi (attr store1 < 5.848 and attr store1 > 5.728)
    ((attr store1 < 0.555 and attr store1 > 0.495)
     and bondedto (attr store1 < 49.726 and attr store1 > 48.526))
6 6 0 peak 7092 volume 1305854 hpm1 49.126 ppm1 0.525 ppm2 5.788
!# peak 7093-----------------------------------------------
assi (attr store1 < 4.783 and attr store1 > 4.663)
    ((attr store1 < 0.544 and attr store1 > 0.484)
     and bondedto (attr store1 < 49.764 and attr store1 > 48.564))
6 6 0 peak 7093 volume 4874482 hpm1 49.164 ppm1 0.514 ppm2 4.723
!# peak 7094-----------------------------------------------
assi (attr store1 < 7.013 and attr store1 > 6.893)
    ((attr store1 < 0.712 and attr store1 > 0.652)
     and bondedto (attr store1 < 49.918 and attr store1 > 48.718))
6 6 0 peak 7094 volume 89169104 hpm1 49.318 ppm1 0.682 ppm2 6.953
!# peak 7095-----------------------------------------------
assi (attr store1 < 7.522 and attr store1 > 7.402)
    ((attr store1 < 0.715 and attr store1 > 0.655)
     and bondedto (attr store1 < 49.922 and attr store1 > 48.722))
6 6 0 peak 7095 volume 233194096 hpm1 49.322 ppm1 0.685 ppm2 7.462
!# peak 7096-----------------------------------------------
assi (attr store1 < 8.295 and attr store1 > 8.175)
    ((attr store1 < 0.713 and attr store1 > 0.653)
     and bondedto (attr store1 < 49.940 and attr store1 > 48.740))
6 6 0 peak 7096 volume 69656376 hpm1 49.340 ppm1 0.683 ppm2 8.235
!# peak 7097-----------------------------------------------
assi (attr store1 < 8.563 and attr store1 > 8.443)
    ((attr store1 < 0.651 and attr store1 > 0.591)
     and bondedto (attr store1 < 49.958 and attr store1 > 48.758))
6 6 0 peak 7097 volume 27149128 hpm1 49.358 ppm1 0.621 ppm2 8.503
!# peak 7098-----------------------------------------------
assi (attr store1 < 7.431 and attr store1 > 7.311)
    ((attr store1 < 0.715 and attr store1 > 0.655)
     and bondedto (attr store1 < 49.922 and attr store1 > 48.722))
6 6 0 peak 7098 volume 232253808 hpm1 49.322 ppm1 0.685 ppm2 7.371
!# peak 7099-----------------------------------------------
assi (attr store1 < 2.248 and attr store1 > 2.128)
    ((attr store1 < 2.895 and attr store1 > 2.835)
     and bondedto (attr store1 < 50.166 and attr store1 > 48.966))
6 6 0 peak 7099 volume 24662500 hpm1 49.566 ppm1 2.865 ppm2 2.188
!# peak 7100-----------------------------------------------
assi (attr store1 < 1.465 and attr store1 > 1.345)
    ((attr store1 < 2.715 and attr store1 > 2.655)
     and bondedto (attr store1 < 50.151 and attr store1 > 48.951))
6 6 0 peak 7100 volume 215438608 hpm1 49.551 ppm1 2.685 ppm2 1.405
!# peak 7101-----------------------------------------------
assi (attr store1 < 2.015 and attr store1 > 1.895)
    ((attr store1 < 2.716 and attr store1 > 2.656)
     and bondedto (attr store1 < 50.145 and attr store1 > 48.945))
6 6 0 peak 7101 volume 273084416 hpm1 49.545 ppm1 2.686 ppm2 1.955
!# peak 7102-----------------------------------------------
assi (attr store1 < 7.015 and attr store1 > 6.895)
    ((attr store1 < 4.233 and attr store1 > 4.173)
     and bondedto (attr store1 < 49.008 and attr store1 > 47.808))
6 6 0 peak 7102 volume 42014160 hpm1 48.408 ppm1 4.203 ppm2 6.955
!# peak 7103-----------------------------------------------
assi (attr store1 < 8.252 and attr store1 > 8.132)
    ((attr store1 < 4.233 and attr store1 > 4.173)
     and bondedto (attr store1 < 49.006 and attr store1 > 47.806))
6 6 0 peak 7103 volume 106382496 hpm1 48.406 ppm1 4.203 ppm2 8.192
!# peak 7104-----------------------------------------------
assi (attr store1 < 7.011 and attr store1 > 6.891)
    ((attr store1 < 2.895 and attr store1 > 2.835)
     and bondedto (attr store1 < 50.150 and attr store1 > 48.950))
6 6 0 peak 7104 volume 61430352 hpm1 49.550 ppm1 2.865 ppm2 6.951
!# peak 7105-----------------------------------------------
assi (attr store1 < 7.016 and attr store1 > 6.896)
    ((attr store1 < 2.715 and attr store1 > 2.655)
     and bondedto (attr store1 < 50.142 and attr store1 > 48.942))
6 6 0 peak 7105 volume 83355240 hpm1 49.542 ppm1 2.685 ppm2 6.956
!# peak 7106-----------------------------------------------
assi (attr store1 < 7.929 and attr store1 > 7.809)
    ((attr store1 < 2.713 and attr store1 > 2.653)
     and bondedto (attr store1 < 50.132 and attr store1 > 48.932))
6 6 0 peak 7106 volume 39082108 hpm1 49.532 ppm1 2.683 ppm2 7.869
!# peak 7107-----------------------------------------------
assi (attr store1 < 10.303 and attr store1 > 10.183)
    ((attr store1 < 2.893 and attr store1 > 2.833)
     and bondedto (attr store1 < 50.137 and attr store1 > 48.937))
6 6 0 peak 7107 volume 30998438 hpm1 49.537 ppm1 2.863 ppm2 10.243
!# peak 7108-----------------------------------------------
assi (attr store1 < 5.607 and attr store1 > 5.487)
    ((attr store1 < 2.892 and attr store1 > 2.832)
     and bondedto (attr store1 < 50.125 and attr store1 > 48.925))
6 6 0 peak 7108 volume 1969175 hpm1 49.525 ppm1 2.862 ppm2 5.547
!# peak 7109-----------------------------------------------
assi (attr store1 < 5.617 and attr store1 > 5.497)
    ((attr store1 < 2.715 and attr store1 > 2.655)
     and bondedto (attr store1 < 50.130 and attr store1 > 48.930))
6 6 0 peak 7109 volume 1102205 hpm1 49.530 ppm1 2.685 ppm2 5.557
!# peak 7110-----------------------------------------------
assi (attr store1 < 1.421 and attr store1 > 1.301)
    ((attr store1 < 3.445 and attr store1 > 3.385)
     and bondedto (attr store1 < 50.881 and attr store1 > 49.681))
6 6 0 peak 7110 volume 298744192 hpm1 50.281 ppm1 3.415 ppm2 1.361
!# peak 7111-----------------------------------------------
assi (attr store1 < 2.892 and attr store1 > 2.772)
    ((attr store1 < 3.457 and attr store1 > 3.397)
     and bondedto (attr store1 < 50.867 and attr store1 > 49.667))
6 6 0 peak 7111 volume 59280004 hpm1 50.267 ppm1 3.427 ppm2 2.832
!# peak 7112-----------------------------------------------
assi (attr store1 < 1.883 and attr store1 > 1.763)
    ((attr store1 < 3.441 and attr store1 > 3.381)
     and bondedto (attr store1 < 50.862 and attr store1 > 49.662))
6 6 0 peak 7112 volume 156074800 hpm1 50.262 ppm1 3.411 ppm2 1.823
!# peak 7113-----------------------------------------------
assi (attr store1 < 2.255 and attr store1 > 2.135)
    ((attr store1 < 3.759 and attr store1 > 3.699)
     and bondedto (attr store1 < 50.880 and attr store1 > 49.680))
6 6 0 peak 7113 volume 157833600 hpm1 50.280 ppm1 3.729 ppm2 2.195
!# peak 7114-----------------------------------------------
assi (attr store1 < 2.255 and attr store1 > 2.135)
    ((attr store1 < 3.759 and attr store1 > 3.699)
     and bondedto (attr store1 < 50.880 and attr store1 > 49.680))
6 6 0 peak 7114 volume 157833600 hpm1 50.280 ppm1 3.729 ppm2 2.195
!# peak 7115-----------------------------------------------
assi (attr store1 < 2.111 and attr store1 > 1.991)
    ((attr store1 < 3.818 and attr store1 > 3.758)
     and bondedto (attr store1 < 50.895 and attr store1 > 49.695))
6 6 0 peak 7115 volume 667590016 hpm1 50.295 ppm1 3.788 ppm2 2.051
!# peak 7116-----------------------------------------------
assi (attr store1 < 1.612 and attr store1 > 1.492)
    ((attr store1 < 4.050 and attr store1 > 3.990)
     and bondedto (attr store1 < 51.087 and attr store1 > 49.887))
6 6 0 peak 7116 volume 44407680 hpm1 50.487 ppm1 4.020 ppm2 1.552
!# peak 7117-----------------------------------------------
assi (attr store1 < 1.615 and attr store1 > 1.495)
    ((attr store1 < 3.941 and attr store1 > 3.881)
     and bondedto (attr store1 < 51.073 and attr store1 > 49.873))
6 6 0 peak 7117 volume 22226380 hpm1 50.473 ppm1 3.911 ppm2 1.555
!# peak 7118-----------------------------------------------
assi (attr store1 < 1.068 and attr store1 > 0.948)
    ((attr store1 < 4.035 and attr store1 > 3.975)
     and bondedto (attr store1 < 51.063 and attr store1 > 49.863))
6 6 0 peak 7118 volume 244408912 hpm1 50.463 ppm1 4.005 ppm2 1.008
!# peak 7119-----------------------------------------------
assi (attr store1 < 2.246 and attr store1 > 2.126)
    ((attr store1 < 4.034 and attr store1 > 3.974)
     and bondedto (attr store1 < 51.089 and attr store1 > 49.889))
6 6 0 peak 7119 volume 129651296 hpm1 50.489 ppm1 4.004 ppm2 2.186
!# peak 7120-----------------------------------------------
assi (attr store1 < 2.247 and attr store1 > 2.127)
    ((attr store1 < 3.919 and attr store1 > 3.859)
     and bondedto (attr store1 < 51.088 and attr store1 > 49.888))
6 6 0 peak 7120 volume 186926800 hpm1 50.488 ppm1 3.889 ppm2 2.187
!# peak 7121-----------------------------------------------
assi (attr store1 < 1.204 and attr store1 > 1.084)
    ((attr store1 < 3.779 and attr store1 > 3.719)
     and bondedto (attr store1 < 51.434 and attr store1 > 50.234))
6 6 0 peak 7121 volume 236514800 hpm1 50.834 ppm1 3.749 ppm2 1.144
!# peak 7122-----------------------------------------------
assi (attr store1 < 2.018 and attr store1 > 1.898)
    ((attr store1 < 3.784 and attr store1 > 3.724)
     and bondedto (attr store1 < 51.398 and attr store1 > 50.198))
6 6 0 peak 7122 volume 627093504 hpm1 50.798 ppm1 3.754 ppm2 1.958
!# peak 7123-----------------------------------------------
assi (attr store1 < 4.023 and attr store1 > 3.903)
    ((attr store1 < 3.444 and attr store1 > 3.384)
     and bondedto (attr store1 < 50.868 and attr store1 > 49.668))
6 6 0 peak 7123 volume 391130016 hpm1 50.268 ppm1 3.414 ppm2 3.963
!# peak 7124-----------------------------------------------
assi (attr store1 < 3.508 and attr store1 > 3.388)
    ((attr store1 < 3.800 and attr store1 > 3.740)
     and bondedto (attr store1 < 50.882 and attr store1 > 49.682))
6 6 0 peak 7124 volume 1350737024 hpm1 50.282 ppm1 3.770 ppm2 3.448
!# peak 7125-----------------------------------------------
assi (attr store1 < 4.107 and attr store1 > 3.987)
    ((attr store1 < 3.927 and attr store1 > 3.867)
     and bondedto (attr store1 < 51.065 and attr store1 > 49.865))
6 6 0 peak 7125 volume 2052539008 hpm1 50.465 ppm1 3.897 ppm2 4.047
!# peak 7126-----------------------------------------------
assi (attr store1 < 3.976 and attr store1 > 3.856)
    ((attr store1 < 4.033 and attr store1 > 3.973)
     and bondedto (attr store1 < 51.091 and attr store1 > 49.891))
6 6 0 peak 7126 volume 0.2812702e+10 hpm1 50.491 ppm1 4.003 ppm2 3.916
!# peak 7127-----------------------------------------------
assi (attr store1 < 3.830 and attr store1 > 3.710)
    ((attr store1 < 3.647 and attr store1 > 3.587)
     and bondedto (attr store1 < 51.584 and attr store1 > 50.384))
6 6 0 peak 7127 volume 0.1402744e+11 hpm1 50.984 ppm1 3.617 ppm2 3.770
!# peak 7128-----------------------------------------------
assi (attr store1 < 3.702 and attr store1 > 3.582)
    ((attr store1 < 3.779 and attr store1 > 3.719)
     and bondedto (attr store1 < 51.585 and attr store1 > 50.385))
6 6 0 peak 7128 volume 0.1286703e+11 hpm1 50.985 ppm1 3.749 ppm2 3.642
!# peak 7129-----------------------------------------------
assi (attr store1 < 1.420 and attr store1 > 1.300)
    ((attr store1 < 1.580 and attr store1 > 1.520)
     and bondedto (attr store1 < 50.904 and attr store1 > 49.704))
6 6 0 peak 7129 volume 0.4455395e+10 hpm1 50.304 ppm1 1.550 ppm2 1.360
!# peak 7130-----------------------------------------------
assi (attr store1 < 1.829 and attr store1 > 1.709)
    ((attr store1 < 1.595 and attr store1 > 1.535)
     and bondedto (attr store1 < 50.926 and attr store1 > 49.726))
6 6 0 peak 7130 volume 0.4185006e+10 hpm1 50.326 ppm1 1.565 ppm2 1.769
!# peak 7131-----------------------------------------------
assi (attr store1 < 1.833 and attr store1 > 1.713)
    ((attr store1 < 1.483 and attr store1 > 1.423)
     and bondedto (attr store1 < 50.961 and attr store1 > 49.761))
6 6 0 peak 7131 volume 1426740992 hpm1 50.361 ppm1 1.453 ppm2 1.773
!# peak 7132-----------------------------------------------
assi (attr store1 < 1.700 and attr store1 > 1.580)
    ((attr store1 < 1.438 and attr store1 > 1.378)
     and bondedto (attr store1 < 50.970 and attr store1 > 49.770))
6 6 0 peak 7132 volume 0.361095e+10 hpm1 50.370 ppm1 1.408 ppm2 1.640
!# peak 7133-----------------------------------------------
assi (attr store1 < 1.378 and attr store1 > 1.258)
    ((attr store1 < 1.759 and attr store1 > 1.699)
     and bondedto (attr store1 < 50.886 and attr store1 > 49.686))
6 6 0 peak 7133 volume 1633881088 hpm1 50.286 ppm1 1.729 ppm2 1.318
!# peak 7134-----------------------------------------------
assi (attr store1 < 1.519 and attr store1 > 1.399)
    ((attr store1 < 1.688 and attr store1 > 1.628)
     and bondedto (attr store1 < 50.963 and attr store1 > 49.763))
6 6 0 peak 7134 volume 1929088000 hpm1 50.363 ppm1 1.658 ppm2 1.459
!# peak 7135-----------------------------------------------
assi (attr store1 < 0.608 and attr store1 > 0.488)
    ((attr store1 < 1.759 and attr store1 > 1.699)
     and bondedto (attr store1 < 50.892 and attr store1 > 49.692))
6 6 0 peak 7135 volume 505044832 hpm1 50.292 ppm1 1.729 ppm2 0.548
!# peak 7136-----------------------------------------------
assi (attr store1 < 1.049 and attr store1 > 0.929)
    ((attr store1 < 1.483 and attr store1 > 1.423)
     and bondedto (attr store1 < 50.897 and attr store1 > 49.697))
6 6 0 peak 7136 volume 543994880 hpm1 50.297 ppm1 1.453 ppm2 0.989
!# peak 7137-----------------------------------------------
assi (attr store1 < 1.190 and attr store1 > 1.070)
    ((attr store1 < 1.439 and attr store1 > 1.379)
     and bondedto (attr store1 < 50.978 and attr store1 > 49.778))
6 6 0 peak 7137 volume 1070631936 hpm1 50.378 ppm1 1.409 ppm2 1.130
!# peak 7138-----------------------------------------------
assi (attr store1 < 1.076 and attr store1 > 0.956)
    ((attr store1 < 1.785 and attr store1 > 1.725)
     and bondedto (attr store1 < 50.965 and attr store1 > 49.765))
6 6 0 peak 7138 volume 1115015040 hpm1 50.365 ppm1 1.755 ppm2 1.016
!# peak 7139-----------------------------------------------
assi (attr store1 < 2.206 and attr store1 > 2.086)
    ((attr store1 < 1.549 and attr store1 > 1.489)
     and bondedto (attr store1 < 51.501 and attr store1 > 50.301))
6 6 0 peak 7139 volume 203908288 hpm1 50.901 ppm1 1.519 ppm2 2.146
!# peak 7140-----------------------------------------------
assi (attr store1 < 2.050 and attr store1 > 1.930)
    ((attr store1 < 1.548 and attr store1 > 1.488)
     and bondedto (attr store1 < 51.446 and attr store1 > 50.246))
6 6 0 peak 7140 volume 184833088 hpm1 50.846 ppm1 1.518 ppm2 1.990
!# peak 7141-----------------------------------------------
assi (attr store1 < 0.516 and attr store1 > 0.396)
    ((attr store1 < 1.008 and attr store1 > 0.948)
     and bondedto (attr store1 < 51.855 and attr store1 > 50.655))
6 6 0 peak 7141 volume 603074880 hpm1 51.255 ppm1 0.978 ppm2 0.456
!# peak 7142-----------------------------------------------
assi (attr store1 < 1.880 and attr store1 > 1.760)
    ((attr store1 < 1.232 and attr store1 > 1.172)
     and bondedto (attr store1 < 51.824 and attr store1 > 50.624))
6 6 0 peak 7142 volume 169244304 hpm1 51.224 ppm1 1.202 ppm2 1.820
!# peak 7143-----------------------------------------------
assi (attr store1 < 1.504 and attr store1 > 1.384)
    ((attr store1 < 1.255 and attr store1 > 1.195)
     and bondedto (attr store1 < 51.832 and attr store1 > 50.632))
6 6 0 peak 7143 volume 209518192 hpm1 51.232 ppm1 1.225 ppm2 1.444
!# peak 7144-----------------------------------------------
assi (attr store1 < 0.470 and attr store1 > 0.350)
    ((attr store1 < 1.420 and attr store1 > 1.360)
     and bondedto (attr store1 < 51.731 and attr store1 > 50.531))
6 6 0 peak 7144 volume 521334304 hpm1 51.131 ppm1 1.390 ppm2 0.410
!# peak 7145-----------------------------------------------
assi (attr store1 < 2.532 and attr store1 > 2.412)
    ((attr store1 < 1.964 and attr store1 > 1.904)
     and bondedto (attr store1 < 51.898 and attr store1 > 50.698))
6 6 0 peak 7145 volume 223470704 hpm1 51.298 ppm1 1.934 ppm2 2.472
!# peak 7146-----------------------------------------------
assi (attr store1 < 1.012 and attr store1 > 0.892)
    ((attr store1 < 1.762 and attr store1 > 1.702)
     and bondedto (attr store1 < 51.990 and attr store1 > 50.790))
6 6 0 peak 7146 volume 626494976 hpm1 51.390 ppm1 1.732 ppm2 0.952
!# peak 7147-----------------------------------------------
assi (attr store1 < 0.460 and attr store1 > 0.340)
    ((attr store1 < 0.654 and attr store1 > 0.594)
     and bondedto (attr store1 < 49.943 and attr store1 > 48.743))
6 6 0 peak 7147 volume 1555828992 hpm1 49.343 ppm1 0.624 ppm2 0.400
!# peak 7148-----------------------------------------------
assi (attr store1 < 1.656 and attr store1 > 1.536)
    ((attr store1 < 0.648 and attr store1 > 0.588)
     and bondedto (attr store1 < 49.964 and attr store1 > 48.764))
6 6 0 peak 7148 volume 675488832 hpm1 49.364 ppm1 0.618 ppm2 1.596
!# peak 7149-----------------------------------------------
assi (attr store1 < 1.461 and attr store1 > 1.341)
    ((attr store1 < 1.144 and attr store1 > 1.084)
     and bondedto (attr store1 < 51.795 and attr store1 > 50.595))
6 6 0 peak 7149 volume 1661794048 hpm1 51.195 ppm1 1.114 ppm2 1.401
!# peak 7150-----------------------------------------------
assi (attr store1 < 1.599 and attr store1 > 1.479)
    ((attr store1 < 1.145 and attr store1 > 1.085)
     and bondedto (attr store1 < 51.795 and attr store1 > 50.595))
6 6 0 peak 7150 volume 360265120 hpm1 51.195 ppm1 1.115 ppm2 1.539
!# peak 7151-----------------------------------------------
assi (attr store1 < 0.609 and attr store1 > 0.489)
    ((attr store1 < 1.146 and attr store1 > 1.086)
     and bondedto (attr store1 < 51.806 and attr store1 > 50.606))
6 6 0 peak 7151 volume 235663808 hpm1 51.206 ppm1 1.116 ppm2 0.549
!# peak 7152-----------------------------------------------
assi (attr store1 < 0.895 and attr store1 > 0.775)
    ((attr store1 < 0.551 and attr store1 > 0.491)
     and bondedto (attr store1 < 49.777 and attr store1 > 48.577))
6 6 0 peak 7152 volume 69646296 hpm1 49.177 ppm1 0.521 ppm2 0.835
!# peak 7153-----------------------------------------------
assi (attr store1 < 0.430 and attr store1 > 0.310)
    ((attr store1 < 0.555 and attr store1 > 0.495)
     and bondedto (attr store1 < 49.773 and attr store1 > 48.573))
6 6 0 peak 7153 volume 742793664 hpm1 49.173 ppm1 0.525 ppm2 0.370
!# peak 7154-----------------------------------------------
assi (attr store1 < 2.274 and attr store1 > 2.154)
    ((attr store1 < 2.036 and attr store1 > 1.976)
     and bondedto (attr store1 < 51.215 and attr store1 > 50.015))
6 6 0 peak 7154 volume 0.2268044e+11 hpm1 50.615 ppm1 2.006 ppm2 2.214
!# peak 7155-----------------------------------------------
assi (attr store1 < 3.102 and attr store1 > 2.982)
    ((attr store1 < 1.029 and attr store1 > 0.969)
     and bondedto (attr store1 < 51.837 and attr store1 > 50.637))
6 6 0 peak 7155 volume 80197952 hpm1 51.237 ppm1 0.999 ppm2 3.042
!# peak 7156-----------------------------------------------
assi (attr store1 < 4.338 and attr store1 > 4.218)
    ((attr store1 < 1.188 and attr store1 > 1.128)
     and bondedto (attr store1 < 50.888 and attr store1 > 49.688))
6 6 0 peak 7156 volume 131650000 hpm1 50.288 ppm1 1.158 ppm2 4.278
!# peak 7157-----------------------------------------------
assi (attr store1 < 3.283 and attr store1 > 3.163)
    ((attr store1 < 1.579 and attr store1 > 1.519)
     and bondedto (attr store1 < 50.915 and attr store1 > 49.715))
6 6 0 peak 7157 volume 500135712 hpm1 50.315 ppm1 1.549 ppm2 3.223
!# peak 7158-----------------------------------------------
assi (attr store1 < 1.959 and attr store1 > 1.839)
    ((attr store1 < 0.281 and attr store1 > 0.221)
     and bondedto (attr store1 < 51.098 and attr store1 > 49.898))
6 6 0 peak 7158 volume 593807104 hpm1 50.498 ppm1 0.251 ppm2 1.899
!# peak 7159-----------------------------------------------
assi (attr store1 < 4.159 and attr store1 > 4.039)
    ((attr store1 < 1.073 and attr store1 > 1.013)
     and bondedto (attr store1 < 51.312 and attr store1 > 50.112))
6 6 0 peak 7159 volume 181979504 hpm1 50.712 ppm1 1.043 ppm2 4.099
!# peak 7160-----------------------------------------------
assi (attr store1 < 4.562 and attr store1 > 4.442)
    ((attr store1 < 0.282 and attr store1 > 0.222)
     and bondedto (attr store1 < 51.270 and attr store1 > 50.070))
6 6 0 peak 7160 volume 57709660 hpm1 50.670 ppm1 0.252 ppm2 4.502
!# peak 7161-----------------------------------------------
assi (attr store1 < 2.644 and attr store1 > 2.524)
    ((attr store1 < 0.299 and attr store1 > 0.239)
     and bondedto (attr store1 < 51.273 and attr store1 > 50.073))
6 6 0 peak 7161 volume 14228129 hpm1 50.673 ppm1 0.269 ppm2 2.584
!# peak 7162-----------------------------------------------
assi (attr store1 < 2.243 and attr store1 > 2.123)
    ((attr store1 < 0.287 and attr store1 > 0.227)
     and bondedto (attr store1 < 51.236 and attr store1 > 50.036))
6 6 0 peak 7162 volume 30693280 hpm1 50.636 ppm1 0.257 ppm2 2.183
!# peak 7163-----------------------------------------------
assi (attr store1 < 3.103 and attr store1 > 2.983)
    ((attr store1 < 1.415 and attr store1 > 1.355)
     and bondedto (attr store1 < 51.305 and attr store1 > 50.105))
6 6 0 peak 7163 volume 304983808 hpm1 50.705 ppm1 1.385 ppm2 3.043
!# peak 7164-----------------------------------------------
assi (attr store1 < 3.926 and attr store1 > 3.806)
    ((attr store1 < 1.419 and attr store1 > 1.359)
     and bondedto (attr store1 < 51.278 and attr store1 > 50.078))
6 6 0 peak 7164 volume 317698816 hpm1 50.678 ppm1 1.389 ppm2 3.866
!# peak 7165-----------------------------------------------
assi (attr store1 < 4.156 and attr store1 > 4.036)
    ((attr store1 < 1.374 and attr store1 > 1.314)
     and bondedto (attr store1 < 51.305 and attr store1 > 50.105))
6 6 0 peak 7165 volume 258044992 hpm1 50.705 ppm1 1.344 ppm2 4.096
!# peak 7166-----------------------------------------------
assi (attr store1 < 4.064 and attr store1 > 3.944)
    ((attr store1 < 2.033 and attr store1 > 1.973)
     and bondedto (attr store1 < 51.273 and attr store1 > 50.073))
6 6 0 peak 7166 volume 933002688 hpm1 50.673 ppm1 2.003 ppm2 4.004
!# peak 7167-----------------------------------------------
assi (attr store1 < 4.777 and attr store1 > 4.657)
    ((attr store1 < 2.030 and attr store1 > 1.970)
     and bondedto (attr store1 < 51.279 and attr store1 > 50.079))
6 6 0 peak 7167 volume 63454360 hpm1 50.679 ppm1 2.000 ppm2 4.717
!# peak 7168-----------------------------------------------
assi (attr store1 < 3.963 and attr store1 > 3.843)
    ((attr store1 < 1.552 and attr store1 > 1.492)
     and bondedto (attr store1 < 51.496 and attr store1 > 50.296))
6 6 0 peak 7168 volume 298333920 hpm1 50.896 ppm1 1.522 ppm2 3.903
!# peak 7169-----------------------------------------------
assi (attr store1 < 4.427 and attr store1 > 4.307)
    ((attr store1 < 1.643 and attr store1 > 1.583)
     and bondedto (attr store1 < 51.511 and attr store1 > 50.311))
6 6 0 peak 7169 volume 190204208 hpm1 50.911 ppm1 1.613 ppm2 4.367
!# peak 7170-----------------------------------------------
assi (attr store1 < 4.238 and attr store1 > 4.118)
    ((attr store1 < 1.713 and attr store1 > 1.653)
     and bondedto (attr store1 < 51.438 and attr store1 > 50.238))
6 6 0 peak 7170 volume 413793888 hpm1 50.838 ppm1 1.683 ppm2 4.178
!# peak 7171-----------------------------------------------
assi (attr store1 < 3.695 and attr store1 > 3.575)
    ((attr store1 < 1.987 and attr store1 > 1.927)
     and bondedto (attr store1 < 51.825 and attr store1 > 50.625))
6 6 0 peak 7171 volume 1476167040 hpm1 51.225 ppm1 1.957 ppm2 3.635
!# peak 7172-----------------------------------------------
assi (attr store1 < 4.477 and attr store1 > 4.357)
    ((attr store1 < 1.986 and attr store1 > 1.926)
     and bondedto (attr store1 < 51.838 and attr store1 > 50.638))
6 6 0 peak 7172 volume 494870304 hpm1 51.238 ppm1 1.956 ppm2 4.417
!# peak 7173-----------------------------------------------
assi (attr store1 < 6.154 and attr store1 > 6.034)
    ((attr store1 < 0.896 and attr store1 > 0.836)
     and bondedto (attr store1 < 50.724 and attr store1 > 49.524))
6 6 0 peak 7173 volume 9715048 hpm1 50.124 ppm1 0.866 ppm2 6.094
!# peak 7174-----------------------------------------------
assi (attr store1 < 7.233 and attr store1 > 7.113)
    ((attr store1 < 0.894 and attr store1 > 0.834)
     and bondedto (attr store1 < 50.696 and attr store1 > 49.496))
6 6 0 peak 7174 volume 169133200 hpm1 50.096 ppm1 0.864 ppm2 7.173
!# peak 7176-----------------------------------------------
assi (attr store1 < 8.285 and attr store1 > 8.165)
    ((attr store1 < 1.691 and attr store1 > 1.631)
     and bondedto (attr store1 < 51.263 and attr store1 > 50.063))
6 6 0 peak 7176 volume 150637200 hpm1 50.663 ppm1 1.661 ppm2 8.225
!# peak 7177-----------------------------------------------
assi (attr store1 < 8.382 and attr store1 > 8.262)
    ((attr store1 < 1.072 and attr store1 > 1.012)
     and bondedto (attr store1 < 51.315 and attr store1 > 50.115))
6 6 0 peak 7177 volume 87288896 hpm1 50.715 ppm1 1.042 ppm2 8.322
!# peak 7178-----------------------------------------------
assi (attr store1 < 7.236 and attr store1 > 7.116)
    ((attr store1 < 1.530 and attr store1 > 1.470)
     and bondedto (attr store1 < 52.025 and attr store1 > 50.825))
6 6 0 peak 7178 volume 27147358 hpm1 51.425 ppm1 1.500 ppm2 7.176
!# peak 7179-----------------------------------------------
assi (attr store1 < 7.659 and attr store1 > 7.539)
    ((attr store1 < 1.533 and attr store1 > 1.473)
     and bondedto (attr store1 < 52.005 and attr store1 > 50.805))
6 6 0 peak 7179 volume 85335560 hpm1 51.405 ppm1 1.503 ppm2 7.599
!# peak 7180-----------------------------------------------
assi (attr store1 < 8.780 and attr store1 > 8.660)
    ((attr store1 < 1.527 and attr store1 > 1.467)
     and bondedto (attr store1 < 52.022 and attr store1 > 50.822))
6 6 0 peak 7180 volume 12229800 hpm1 51.422 ppm1 1.497 ppm2 8.720
!# peak 7181-----------------------------------------------
assi (attr store1 < 8.754 and attr store1 > 8.634)
    ((attr store1 < 1.050 and attr store1 > 0.990)
     and bondedto (attr store1 < 52.048 and attr store1 > 50.848))
6 6 0 peak 7181 volume 33987080 hpm1 51.448 ppm1 1.020 ppm2 8.694
!# peak 7182-----------------------------------------------
assi (attr store1 < 5.648 and attr store1 > 5.528)
    ((attr store1 < 1.960 and attr store1 > 1.900)
     and bondedto (attr store1 < 52.007 and attr store1 > 50.807))
6 6 0 peak 7182 volume 48629748 hpm1 51.407 ppm1 1.930 ppm2 5.588
!# peak 7183-----------------------------------------------
assi (attr store1 < 7.879 and attr store1 > 7.759)
    ((attr store1 < 1.027 and attr store1 > 0.967)
     and bondedto (attr store1 < 51.752 and attr store1 > 50.552))
6 6 0 peak 7183 volume 135926208 hpm1 51.152 ppm1 0.997 ppm2 7.819
!# peak 7185-----------------------------------------------
assi (attr store1 < 7.102 and attr store1 > 6.982)
    ((attr store1 < 1.004 and attr store1 > 0.944)
     and bondedto (attr store1 < 51.717 and attr store1 > 50.517))
6 6 0 peak 7185 volume 58500432 hpm1 51.117 ppm1 0.974 ppm2 7.042
!# peak 7186-----------------------------------------------
assi (attr store1 < 7.782 and attr store1 > 7.662)
    ((attr store1 < 1.483 and attr store1 > 1.423)
     and bondedto (attr store1 < 51.259 and attr store1 > 50.059))
6 6 0 peak 7186 volume 366999680 hpm1 50.659 ppm1 1.453 ppm2 7.722
!# peak 7187-----------------------------------------------
assi (attr store1 < 7.660 and attr store1 > 7.540)
    ((attr store1 < 1.440 and attr store1 > 1.380)
     and bondedto (attr store1 < 51.270 and attr store1 > 50.070))
6 6 0 peak 7187 volume 328556384 hpm1 50.670 ppm1 1.410 ppm2 7.600
!# peak 7188-----------------------------------------------
assi (attr store1 < 7.338 and attr store1 > 7.218)
    ((attr store1 < 1.444 and attr store1 > 1.384)
     and bondedto (attr store1 < 51.263 and attr store1 > 50.063))
6 6 0 peak 7188 volume 80845488 hpm1 50.663 ppm1 1.414 ppm2 7.278
!# peak 7190-----------------------------------------------
assi (attr store1 < 7.205 and attr store1 > 7.085)
    ((attr store1 < 1.419 and attr store1 > 1.359)
     and bondedto (attr store1 < 51.266 and attr store1 > 50.066))
6 6 0 peak 7190 volume 50419216 hpm1 50.666 ppm1 1.389 ppm2 7.145
!# peak 7191-----------------------------------------------
assi (attr store1 < 7.009 and attr store1 > 6.889)
    ((attr store1 < 1.440 and attr store1 > 1.380)
     and bondedto (attr store1 < 51.285 and attr store1 > 50.085))
6 6 0 peak 7191 volume 39566380 hpm1 50.685 ppm1 1.410 ppm2 6.949
!# peak 7192-----------------------------------------------
assi (attr store1 < 7.428 and attr store1 > 7.308)
    ((attr store1 < 1.760 and attr store1 > 1.700)
     and bondedto (attr store1 < 51.186 and attr store1 > 49.986))
6 6 0 peak 7192 volume 58191980 hpm1 50.586 ppm1 1.730 ppm2 7.368
!# peak 7193-----------------------------------------------
assi (attr store1 < 7.234 and attr store1 > 7.114)
    ((attr store1 < 1.779 and attr store1 > 1.719)
     and bondedto (attr store1 < 51.194 and attr store1 > 49.994))
6 6 0 peak 7193 volume 67209616 hpm1 50.594 ppm1 1.749 ppm2 7.174
!# peak 7194-----------------------------------------------
assi (attr store1 < 7.198 and attr store1 > 7.078)
    ((attr store1 < 1.688 and attr store1 > 1.628)
     and bondedto (attr store1 < 51.229 and attr store1 > 50.029))
6 6 0 peak 7194 volume 96804384 hpm1 50.629 ppm1 1.658 ppm2 7.138
!# peak 7195-----------------------------------------------
assi (attr store1 < 7.016 and attr store1 > 6.896)
    ((attr store1 < 1.781 and attr store1 > 1.721)
     and bondedto (attr store1 < 51.215 and attr store1 > 50.015))
6 6 0 peak 7195 volume 124458904 hpm1 50.615 ppm1 1.751 ppm2 6.956
!# peak 7196-----------------------------------------------
assi (attr store1 < 7.013 and attr store1 > 6.893)
    ((attr store1 < 1.694 and attr store1 > 1.634)
     and bondedto (attr store1 < 51.261 and attr store1 > 50.061))
6 6 0 peak 7196 volume 55630148 hpm1 50.661 ppm1 1.664 ppm2 6.953
!# peak 7197-----------------------------------------------
assi (attr store1 < 8.259 and attr store1 > 8.139)
    ((attr store1 < 1.438 and attr store1 > 1.378)
     and bondedto (attr store1 < 51.269 and attr store1 > 50.069))
6 6 0 peak 7197 volume 77856248 hpm1 50.669 ppm1 1.408 ppm2 8.199
!# peak 7198-----------------------------------------------
assi (attr store1 < 8.020 and attr store1 > 7.900)
    ((attr store1 < 1.190 and attr store1 > 1.130)
     and bondedto (attr store1 < 51.229 and attr store1 > 50.029))
6 6 0 peak 7198 volume 49478032 hpm1 50.629 ppm1 1.160 ppm2 7.960
!# peak 7199-----------------------------------------------
assi (attr store1 < 4.798 and attr store1 > 4.678)
    ((attr store1 < 3.872 and attr store1 > 3.812)
     and bondedto (attr store1 < 52.412 and attr store1 > 51.212))
6 6 0 peak 7199 volume 34148120 hpm1 51.812 ppm1 3.842 ppm2 4.738
!# peak 7200-----------------------------------------------
assi (attr store1 < 4.562 and attr store1 > 4.442)
    ((attr store1 < 3.874 and attr store1 > 3.814)
     and bondedto (attr store1 < 52.465 and attr store1 > 51.265))
6 6 0 peak 7200 volume 180713600 hpm1 51.865 ppm1 3.844 ppm2 4.502
!# peak 7201-----------------------------------------------
assi (attr store1 < 4.559 and attr store1 > 4.439)
    ((attr store1 < 3.759 and attr store1 > 3.699)
     and bondedto (attr store1 < 52.464 and attr store1 > 51.264))
6 6 0 peak 7201 volume 41255260 hpm1 51.864 ppm1 3.729 ppm2 4.499
!# peak 7202-----------------------------------------------
assi (attr store1 < 3.919 and attr store1 > 3.799)
    ((attr store1 < 3.758 and attr store1 > 3.698)
     and bondedto (attr store1 < 52.406 and attr store1 > 51.206))
6 6 0 peak 7202 volume 0.2799909e+10 hpm1 51.806 ppm1 3.728 ppm2 3.859
!# peak 7203-----------------------------------------------
assi (attr store1 < 3.816 and attr store1 > 3.696)
    ((attr store1 < 3.877 and attr store1 > 3.817)
     and bondedto (attr store1 < 52.407 and attr store1 > 51.207))
6 6 0 peak 7203 volume 0.3010607e+10 hpm1 51.807 ppm1 3.847 ppm2 3.756
!# peak 7204-----------------------------------------------
assi (attr store1 < 2.786 and attr store1 > 2.666)
    ((attr store1 < 3.874 and attr store1 > 3.814)
     and bondedto (attr store1 < 52.457 and attr store1 > 51.257))
6 6 0 peak 7204 volume 0.3909334e+06 hpm1 51.857 ppm1 3.844 ppm2 2.726
!# peak 7205-----------------------------------------------
assi (attr store1 < 3.617 and attr store1 > 3.497)
    ((attr store1 < 2.711 and attr store1 > 2.651)
     and bondedto (attr store1 < 51.830 and attr store1 > 50.630))
6 6 0 peak 7205 volume 137442000 hpm1 51.230 ppm1 2.681 ppm2 3.557
!# peak 7206-----------------------------------------------
assi (attr store1 < 0.622 and attr store1 > 0.502)
    ((attr store1 < 2.831 and attr store1 > 2.771)
     and bondedto (attr store1 < 51.841 and attr store1 > 50.641))
6 6 0 peak 7206 volume 47867988 hpm1 51.241 ppm1 2.801 ppm2 0.562
!# peak 7207-----------------------------------------------
assi (attr store1 < 0.632 and attr store1 > 0.512)
    ((attr store1 < 2.710 and attr store1 > 2.650)
     and bondedto (attr store1 < 51.838 and attr store1 > 50.638))
6 6 0 peak 7207 volume 7785805 hpm1 51.238 ppm1 2.680 ppm2 0.572
!# peak 7208-----------------------------------------------
assi (attr store1 < 2.718 and attr store1 > 2.598)
    ((attr store1 < 3.472 and attr store1 > 3.412)
     and bondedto (attr store1 < 52.516 and attr store1 > 51.316))
6 6 0 peak 7208 volume 370697280 hpm1 51.916 ppm1 3.442 ppm2 2.658
!# peak 7209-----------------------------------------------
assi (attr store1 < 3.892 and attr store1 > 3.772)
    ((attr store1 < 3.368 and attr store1 > 3.308)
     and bondedto (attr store1 < 52.512 and attr store1 > 51.312))
6 6 0 peak 7209 volume 241156400 hpm1 51.912 ppm1 3.338 ppm2 3.832
!# peak 7210-----------------------------------------------
assi (attr store1 < 0.854 and attr store1 > 0.734)
    ((attr store1 < 3.378 and attr store1 > 3.318)
     and bondedto (attr store1 < 52.566 and attr store1 > 51.366))
6 6 0 peak 7210 volume 18821320 hpm1 51.966 ppm1 3.348 ppm2 0.794
!# peak 7211-----------------------------------------------
assi (attr store1 < 1.079 and attr store1 > 0.959)
    ((attr store1 < 3.365 and attr store1 > 3.305)
     and bondedto (attr store1 < 52.482 and attr store1 > 51.282))
6 6 0 peak 7211 volume 42564808 hpm1 51.882 ppm1 3.335 ppm2 1.019
!# peak 7212-----------------------------------------------
assi (attr store1 < 1.520 and attr store1 > 1.400)
    ((attr store1 < 3.375 and attr store1 > 3.315)
     and bondedto (attr store1 < 52.417 and attr store1 > 51.217))
6 6 0 peak 7212 volume 26896938 hpm1 51.817 ppm1 3.345 ppm2 1.460
!# peak 7213-----------------------------------------------
assi (attr store1 < 1.857 and attr store1 > 1.737)
    ((attr store1 < 3.375 and attr store1 > 3.315)
     and bondedto (attr store1 < 52.495 and attr store1 > 51.295))
6 6 0 peak 7213 volume 19421870 hpm1 51.895 ppm1 3.345 ppm2 1.797
!# peak 7214-----------------------------------------------
assi (attr store1 < 2.041 and attr store1 > 1.921)
    ((attr store1 < 3.368 and attr store1 > 3.308)
     and bondedto (attr store1 < 52.430 and attr store1 > 51.230))
6 6 0 peak 7214 volume 75991384 hpm1 51.830 ppm1 3.338 ppm2 1.981
!# peak 7215-----------------------------------------------
assi (attr store1 < 5.827 and attr store1 > 5.707)
    ((attr store1 < 3.361 and attr store1 > 3.301)
     and bondedto (attr store1 < 52.547 and attr store1 > 51.347))
6 6 0 peak 7215 volume 50361340 hpm1 51.947 ppm1 3.331 ppm2 5.767
!# peak 7216-----------------------------------------------
assi (attr store1 < 0.847 and attr store1 > 0.727)
    ((attr store1 < 2.560 and attr store1 > 2.500)
     and bondedto (attr store1 < 52.505 and attr store1 > 51.305))
6 6 0 peak 7216 volume 28760600 hpm1 51.905 ppm1 2.530 ppm2 0.787
!# peak 7217-----------------------------------------------
assi (attr store1 < 1.043 and attr store1 > 0.923)
    ((attr store1 < 2.556 and attr store1 > 2.496)
     and bondedto (attr store1 < 52.420 and attr store1 > 51.220))
6 6 0 peak 7217 volume 30174660 hpm1 51.820 ppm1 2.526 ppm2 0.983
!# peak 7218-----------------------------------------------
assi (attr store1 < 1.508 and attr store1 > 1.388)
    ((attr store1 < 2.566 and attr store1 > 2.506)
     and bondedto (attr store1 < 52.390 and attr store1 > 51.190))
6 6 0 peak 7218 volume 45543700 hpm1 51.790 ppm1 2.536 ppm2 1.448
!# peak 7221-----------------------------------------------
assi (attr store1 < 0.462 and attr store1 > 0.342)
    ((attr store1 < 3.492 and attr store1 > 3.432)
     and bondedto (attr store1 < 53.076 and attr store1 > 51.876))
6 6 0 peak 7221 volume 3880512 hpm1 52.476 ppm1 3.462 ppm2 0.402
!# peak 7222-----------------------------------------------
assi (attr store1 < 0.178 and attr store1 > 0.058)
    ((attr store1 < 3.492 and attr store1 > 3.432)
     and bondedto (attr store1 < 53.093 and attr store1 > 51.893))
6 6 0 peak 7222 volume 60765820 hpm1 52.493 ppm1 3.462 ppm2 0.118
!# peak 7223-----------------------------------------------
assi (attr store1 < 4.242 and attr store1 > 4.122)
    ((attr store1 < 2.242 and attr store1 > 2.182)
     and bondedto (attr store1 < 53.030 and attr store1 > 51.830))
6 6 0 peak 7223 volume 45023120 hpm1 52.430 ppm1 2.212 ppm2 4.182
!# peak 7224-----------------------------------------------
assi (attr store1 < 4.240 and attr store1 > 4.120)
    ((attr store1 < 2.199 and attr store1 > 2.139)
     and bondedto (attr store1 < 52.891 and attr store1 > 51.691))
6 6 0 peak 7224 volume 18097540 hpm1 52.291 ppm1 2.169 ppm2 4.180
!# peak 7225-----------------------------------------------
assi (attr store1 < 4.422 and attr store1 > 4.302)
    ((attr store1 < 2.245 and attr store1 > 2.185)
     and bondedto (attr store1 < 52.980 and attr store1 > 51.780))
6 6 0 peak 7225 volume 207185296 hpm1 52.380 ppm1 2.215 ppm2 4.362
!# peak 7226-----------------------------------------------
assi (attr store1 < 4.060 and attr store1 > 3.940)
    ((attr store1 < 2.244 and attr store1 > 2.184)
     and bondedto (attr store1 < 52.984 and attr store1 > 51.784))
6 6 0 peak 7226 volume 109809200 hpm1 52.384 ppm1 2.214 ppm2 4.000
!# peak 7227-----------------------------------------------
assi (attr store1 < 4.051 and attr store1 > 3.931)
    ((attr store1 < 2.189 and attr store1 > 2.129)
     and bondedto (attr store1 < 53.053 and attr store1 > 51.853))
6 6 0 peak 7227 volume 343602976 hpm1 52.453 ppm1 2.159 ppm2 3.991
!# peak 7228-----------------------------------------------
assi (attr store1 < 2.474 and attr store1 > 2.354)
    ((attr store1 < 2.194 and attr store1 > 2.134)
     and bondedto (attr store1 < 52.974 and attr store1 > 51.774))
6 6 0 peak 7228 volume 1289305984 hpm1 52.374 ppm1 2.164 ppm2 2.414
!# peak 7229-----------------------------------------------
assi (attr store1 < 2.640 and attr store1 > 2.520)
    ((attr store1 < 2.194 and attr store1 > 2.134)
     and bondedto (attr store1 < 52.985 and attr store1 > 51.785))
6 6 0 peak 7229 volume 669928320 hpm1 52.385 ppm1 2.164 ppm2 2.580
!# peak 7230-----------------------------------------------
assi (attr store1 < 1.522 and attr store1 > 1.402)
    ((attr store1 < 2.253 and attr store1 > 2.193)
     and bondedto (attr store1 < 53.029 and attr store1 > 51.829))
6 6 0 peak 7230 volume 225095296 hpm1 52.429 ppm1 2.223 ppm2 1.462
!# peak 7231-----------------------------------------------
assi (attr store1 < 1.053 and attr store1 > 0.933)
    ((attr store1 < 1.664 and attr store1 > 1.604)
     and bondedto (attr store1 < 53.291 and attr store1 > 52.091))
6 6 0 peak 7231 volume 1150723968 hpm1 52.691 ppm1 1.634 ppm2 0.993
!# peak 7232-----------------------------------------------
assi (attr store1 < 1.059 and attr store1 > 0.939)
    ((attr store1 < 1.161 and attr store1 > 1.101)
     and bondedto (attr store1 < 53.280 and attr store1 > 52.080))
6 6 0 peak 7232 volume 1975731968 hpm1 52.680 ppm1 1.131 ppm2 0.999
!# peak 7233-----------------------------------------------
assi (attr store1 < 2.205 and attr store1 > 2.085)
    ((attr store1 < 1.152 and attr store1 > 1.092)
     and bondedto (attr store1 < 53.264 and attr store1 > 52.064))
6 6 0 peak 7233 volume 25891020 hpm1 52.664 ppm1 1.122 ppm2 2.145
!# peak 7234-----------------------------------------------
assi (attr store1 < 1.733 and attr store1 > 1.613)
    ((attr store1 < 2.167 and attr store1 > 2.107)
     and bondedto (attr store1 < 53.179 and attr store1 > 51.979))
6 6 0 peak 7234 volume 82522008 hpm1 52.579 ppm1 2.137 ppm2 1.673
!# peak 7235-----------------------------------------------
assi (attr store1 < 1.610 and attr store1 > 1.490)
    ((attr store1 < 2.009 and attr store1 > 1.949)
     and bondedto (attr store1 < 53.189 and attr store1 > 51.989))
6 6 0 peak 7235 volume 562529664 hpm1 52.589 ppm1 1.979 ppm2 1.550
!# peak 7236-----------------------------------------------
assi (attr store1 < 2.066 and attr store1 > 1.946)
    ((attr store1 < 2.164 and attr store1 > 2.104)
     and bondedto (attr store1 < 53.525 and attr store1 > 52.325))
6 6 0 peak 7236 volume 0.7351382e+10 hpm1 52.925 ppm1 2.134 ppm2 2.006
!# peak 7237-----------------------------------------------
assi (attr store1 < 0.469 and attr store1 > 0.349)
    ((attr store1 < 1.420 and attr store1 > 1.360)
     and bondedto (attr store1 < 51.731 and attr store1 > 50.531))
6 6 0 peak 7237 volume 550331776 hpm1 51.131 ppm1 1.390 ppm2 0.409
!# peak 7238-----------------------------------------------
assi (attr store1 < 0.469 and attr store1 > 0.349)
    ((attr store1 < 1.420 and attr store1 > 1.360)
     and bondedto (attr store1 < 51.731 and attr store1 > 50.531))
6 6 0 peak 7238 volume 550331776 hpm1 51.131 ppm1 1.390 ppm2 0.409
!# peak 7239-----------------------------------------------
assi (attr store1 < 0.605 and attr store1 > 0.485)
    ((attr store1 < 1.418 and attr store1 > 1.358)
     and bondedto (attr store1 < 51.709 and attr store1 > 50.509))
6 6 0 peak 7239 volume 292204576 hpm1 51.109 ppm1 1.388 ppm2 0.545
!# peak 7240-----------------------------------------------
assi (attr store1 < 0.782 and attr store1 > 0.662)
    ((attr store1 < 1.030 and attr store1 > 0.970)
     and bondedto (attr store1 < 52.287 and attr store1 > 51.087))
6 6 0 peak 7240 volume 316270208 hpm1 51.687 ppm1 1.000 ppm2 0.722
!# peak 7241-----------------------------------------------
assi (attr store1 < 1.880 and attr store1 > 1.760)
    ((attr store1 < 1.639 and attr store1 > 1.579)
     and bondedto (attr store1 < 51.734 and attr store1 > 50.534))
6 6 0 peak 7241 volume 0.9027682e+10 hpm1 51.134 ppm1 1.609 ppm2 1.820
!# peak 7242-----------------------------------------------
assi (attr store1 < 1.459 and attr store1 > 1.339)
    ((attr store1 < 0.190 and attr store1 > 0.130)
     and bondedto (attr store1 < 53.194 and attr store1 > 51.994))
6 6 0 peak 7242 volume 132819208 hpm1 52.594 ppm1 0.160 ppm2 1.399
!# peak 7243-----------------------------------------------
assi (attr store1 < 0.980 and attr store1 > 0.860)
    ((attr store1 < 0.185 and attr store1 > 0.125)
     and bondedto (attr store1 < 53.091 and attr store1 > 51.891))
6 6 0 peak 7243 volume 93047664 hpm1 52.491 ppm1 0.155 ppm2 0.920
!# peak 7244-----------------------------------------------
assi (attr store1 < 0.461 and attr store1 > 0.341)
    ((attr store1 < 0.640 and attr store1 > 0.580)
     and bondedto (attr store1 < 53.121 and attr store1 > 51.921))
6 6 0 peak 7244 volume 42808028 hpm1 52.521 ppm1 0.610 ppm2 0.401
!# peak 7245-----------------------------------------------
assi (attr store1 < 0.443 and attr store1 > 0.323)
    ((attr store1 < 1.824 and attr store1 > 1.764)
     and bondedto (attr store1 < 52.003 and attr store1 > 50.803))
6 6 0 peak 7245 volume 121200504 hpm1 51.403 ppm1 1.794 ppm2 0.383
!# peak 7246-----------------------------------------------
assi (attr store1 < 4.304 and attr store1 > 4.184)
    ((attr store1 < 1.140 and attr store1 > 1.080)
     and bondedto (attr store1 < 51.799 and attr store1 > 50.599))
6 6 0 peak 7246 volume 104834400 hpm1 51.199 ppm1 1.110 ppm2 4.244
!# peak 7247-----------------------------------------------
assi (attr store1 < 4.080 and attr store1 > 3.960)
    ((attr store1 < 1.144 and attr store1 > 1.084)
     and bondedto (attr store1 < 51.868 and attr store1 > 50.668))
6 6 0 peak 7247 volume 228013104 hpm1 51.268 ppm1 1.114 ppm2 4.020
!# peak 7248-----------------------------------------------
assi (attr store1 < 4.006 and attr store1 > 3.886)
    ((attr store1 < 1.231 and attr store1 > 1.171)
     and bondedto (attr store1 < 51.879 and attr store1 > 50.679))
6 6 0 peak 7248 volume 182694496 hpm1 51.279 ppm1 1.201 ppm2 3.946
!# peak 7249-----------------------------------------------
assi (attr store1 < 4.343 and attr store1 > 4.223)
    ((attr store1 < 1.444 and attr store1 > 1.384)
     and bondedto (attr store1 < 51.705 and attr store1 > 50.505))
6 6 0 peak 7249 volume 104083200 hpm1 51.105 ppm1 1.414 ppm2 4.283
!# peak 7250-----------------------------------------------
assi (attr store1 < 4.030 and attr store1 > 3.910)
    ((attr store1 < 1.369 and attr store1 > 1.309)
     and bondedto (attr store1 < 51.894 and attr store1 > 50.694))
6 6 0 peak 7250 volume 358409184 hpm1 51.294 ppm1 1.339 ppm2 3.970
!# peak 7251-----------------------------------------------
assi (attr store1 < 3.884 and attr store1 > 3.764)
    ((attr store1 < 1.393 and attr store1 > 1.333)
     and bondedto (attr store1 < 51.791 and attr store1 > 50.591))
6 6 0 peak 7251 volume 147144704 hpm1 51.191 ppm1 1.363 ppm2 3.824
!# peak 7252-----------------------------------------------
assi (attr store1 < 4.227 and attr store1 > 4.107)
    ((attr store1 < 1.379 and attr store1 > 1.319)
     and bondedto (attr store1 < 51.910 and attr store1 > 50.710))
6 6 0 peak 7252 volume 206281312 hpm1 51.310 ppm1 1.349 ppm2 4.167
!# peak 7253-----------------------------------------------
assi (attr store1 < 2.880 and attr store1 > 2.760)
    ((attr store1 < 2.700 and attr store1 > 2.640)
     and bondedto (attr store1 < 51.849 and attr store1 > 50.649))
6 6 0 peak 7253 volume 1243131008 hpm1 51.249 ppm1 2.670 ppm2 2.820
!# peak 7254-----------------------------------------------
assi (attr store1 < 3.091 and attr store1 > 2.971)
    ((attr store1 < 1.822 and attr store1 > 1.762)
     and bondedto (attr store1 < 51.934 and attr store1 > 50.734))
6 6 0 peak 7254 volume 487380192 hpm1 51.334 ppm1 1.792 ppm2 3.031
!# peak 7255-----------------------------------------------
assi (attr store1 < 4.266 and attr store1 > 4.146)
    ((attr store1 < 1.822 and attr store1 > 1.762)
     and bondedto (attr store1 < 51.950 and attr store1 > 50.750))
6 6 0 peak 7255 volume 271529120 hpm1 51.350 ppm1 1.792 ppm2 4.206
!# peak 7258-----------------------------------------------
assi (attr store1 < 4.157 and attr store1 > 4.037)
    ((attr store1 < 2.077 and attr store1 > 2.017)
     and bondedto (attr store1 < 53.585 and attr store1 > 52.385))
6 6 0 peak 7258 volume 563373120 hpm1 52.985 ppm1 2.047 ppm2 4.097
!# peak 7259-----------------------------------------------
assi (attr store1 < 4.160 and attr store1 > 4.040)
    ((attr store1 < 1.986 and attr store1 > 1.926)
     and bondedto (attr store1 < 53.556 and attr store1 > 52.356))
6 6 0 peak 7259 volume 228840688 hpm1 52.956 ppm1 1.956 ppm2 4.100
!# peak 7260-----------------------------------------------
assi (attr store1 < 7.927 and attr store1 > 7.807)
    ((attr store1 < 1.238 and attr store1 > 1.178)
     and bondedto (attr store1 < 51.861 and attr store1 > 50.661))
6 6 0 peak 7260 volume 85310072 hpm1 51.261 ppm1 1.208 ppm2 7.867
!# peak 7261-----------------------------------------------
assi (attr store1 < 7.829 and attr store1 > 7.709)
    ((attr store1 < 1.147 and attr store1 > 1.087)
     and bondedto (attr store1 < 51.738 and attr store1 > 50.538))
6 6 0 peak 7261 volume 69778992 hpm1 51.138 ppm1 1.117 ppm2 7.769
!# peak 7262-----------------------------------------------
assi (attr store1 < 7.233 and attr store1 > 7.113)
    ((attr store1 < 1.039 and attr store1 > 0.979)
     and bondedto (attr store1 < 51.857 and attr store1 > 50.657))
6 6 0 peak 7262 volume 69930008 hpm1 51.257 ppm1 1.009 ppm2 7.173
!# peak 7263-----------------------------------------------
assi (attr store1 < 7.518 and attr store1 > 7.398)
    ((attr store1 < 1.142 and attr store1 > 1.082)
     and bondedto (attr store1 < 51.812 and attr store1 > 50.612))
6 6 0 peak 7263 volume 76679560 hpm1 51.212 ppm1 1.112 ppm2 7.458
!# peak 7264-----------------------------------------------
assi (attr store1 < 7.428 and attr store1 > 7.308)
    ((attr store1 < 1.141 and attr store1 > 1.081)
     and bondedto (attr store1 < 51.806 and attr store1 > 50.606))
6 6 0 peak 7264 volume 37982940 hpm1 51.206 ppm1 1.111 ppm2 7.368
!# peak 7265-----------------------------------------------
assi (attr store1 < 7.926 and attr store1 > 7.806)
    ((attr store1 < 1.961 and attr store1 > 1.901)
     and bondedto (attr store1 < 52.038 and attr store1 > 50.838))
6 6 0 peak 7265 volume 56846304 hpm1 51.438 ppm1 1.931 ppm2 7.866
!# peak 7266-----------------------------------------------
assi (attr store1 < 6.929 and attr store1 > 6.809)
    ((attr store1 < 1.391 and attr store1 > 1.331)
     and bondedto (attr store1 < 53.140 and attr store1 > 51.940))
6 6 0 peak 7266 volume 32516370 hpm1 52.540 ppm1 1.361 ppm2 6.869
!# peak 7267-----------------------------------------------
assi (attr store1 < 8.114 and attr store1 > 7.994)
    ((attr store1 < 1.378 and attr store1 > 1.318)
     and bondedto (attr store1 < 53.142 and attr store1 > 51.942))
6 6 0 peak 7267 volume 22108620 hpm1 52.542 ppm1 1.348 ppm2 8.054
!# peak 7268-----------------------------------------------
assi (attr store1 < 7.055 and attr store1 > 6.935)
    ((attr store1 < 2.572 and attr store1 > 2.512)
     and bondedto (attr store1 < 52.558 and attr store1 > 51.358))
6 6 0 peak 7268 volume 50804020 hpm1 51.958 ppm1 2.542 ppm2 6.995
!# peak 7269-----------------------------------------------
assi (attr store1 < 8.695 and attr store1 > 8.575)
    ((attr store1 < 2.076 and attr store1 > 2.016)
     and bondedto (attr store1 < 53.712 and attr store1 > 52.512))
6 6 0 peak 7269 volume 198935600 hpm1 53.112 ppm1 2.046 ppm2 8.635
!# peak 7270-----------------------------------------------
assi (attr store1 < 8.691 and attr store1 > 8.571)
    ((attr store1 < 1.984 and attr store1 > 1.924)
     and bondedto (attr store1 < 53.699 and attr store1 > 52.499))
6 6 0 peak 7270 volume 190029200 hpm1 53.099 ppm1 1.954 ppm2 8.631
!# peak 7271-----------------------------------------------
assi (attr store1 < 8.162 and attr store1 > 8.042)
    ((attr store1 < 1.988 and attr store1 > 1.928)
     and bondedto (attr store1 < 53.687 and attr store1 > 52.487))
6 6 0 peak 7271 volume 271411104 hpm1 53.087 ppm1 1.958 ppm2 8.102
!# peak 7272-----------------------------------------------
assi (attr store1 < 6.973 and attr store1 > 6.853)
    ((attr store1 < 2.333 and attr store1 > 2.273)
     and bondedto (attr store1 < 53.854 and attr store1 > 52.654))
6 6 0 peak 7272 volume 9381587 hpm1 53.254 ppm1 2.303 ppm2 6.913
!# peak 7273-----------------------------------------------
assi (attr store1 < 8.788 and attr store1 > 8.668)
    ((attr store1 < 2.344 and attr store1 > 2.284)
     and bondedto (attr store1 < 53.882 and attr store1 > 52.682))
6 6 0 peak 7273 volume 11781200 hpm1 53.282 ppm1 2.314 ppm2 8.728
!# peak 7274-----------------------------------------------
assi (attr store1 < 7.022 and attr store1 > 6.902)
    ((attr store1 < 3.374 and attr store1 > 3.314)
     and bondedto (attr store1 < 52.538 and attr store1 > 51.338))
6 6 0 peak 7274 volume 18779570 hpm1 51.938 ppm1 3.344 ppm2 6.962
!# peak 7275-----------------------------------------------
assi (attr store1 < 8.695 and attr store1 > 8.575)
    ((attr store1 < 3.255 and attr store1 > 3.195)
     and bondedto (attr store1 < 52.749 and attr store1 > 51.549))
6 6 0 peak 7275 volume 19715610 hpm1 52.149 ppm1 3.225 ppm2 8.635
!# peak 7276-----------------------------------------------
assi (attr store1 < 7.328 and attr store1 > 7.208)
    ((attr store1 < 4.104 and attr store1 > 4.044)
     and bondedto (attr store1 < 55.112 and attr store1 > 53.912))
6 6 0 peak 7276 volume 117501400 hpm1 54.512 ppm1 4.074 ppm2 7.268
!# peak 7277-----------------------------------------------
assi (attr store1 < 8.655 and attr store1 > 8.535)
    ((attr store1 < 2.123 and attr store1 > 2.063)
     and bondedto (attr store1 < 54.277 and attr store1 > 53.077))
6 6 0 peak 7277 volume 304993696 hpm1 53.677 ppm1 2.093 ppm2 8.595
!# peak 7278-----------------------------------------------
assi (attr store1 < 7.690 and attr store1 > 7.570)
    ((attr store1 < 2.187 and attr store1 > 2.127)
     and bondedto (attr store1 < 54.214 and attr store1 > 53.014))
6 6 0 peak 7278 volume 217034800 hpm1 53.614 ppm1 2.157 ppm2 7.630
!# peak 7279-----------------------------------------------
assi (attr store1 < 7.689 and attr store1 > 7.569)
    ((attr store1 < 2.101 and attr store1 > 2.041)
     and bondedto (attr store1 < 54.208 and attr store1 > 53.008))
6 6 0 peak 7279 volume 348912288 hpm1 53.608 ppm1 2.071 ppm2 7.629
!# peak 7280-----------------------------------------------
assi (attr store1 < 7.742 and attr store1 > 7.622)
    ((attr store1 < 1.855 and attr store1 > 1.795)
     and bondedto (attr store1 < 54.370 and attr store1 > 53.170))
6 6 0 peak 7280 volume 136807600 hpm1 53.770 ppm1 1.825 ppm2 7.682
!# peak 7281-----------------------------------------------
assi (attr store1 < 7.212 and attr store1 > 7.092)
    ((attr store1 < 2.193 and attr store1 > 2.133)
     and bondedto (attr store1 < 55.155 and attr store1 > 53.955))
6 6 0 peak 7281 volume 8083501 hpm1 54.555 ppm1 2.163 ppm2 7.152
!# peak 7282-----------------------------------------------
assi (attr store1 < 7.231 and attr store1 > 7.111)
    ((attr store1 < -0.152 and attr store1 > -0.212)
     and bondedto (attr store1 < 55.125 and attr store1 > 53.925))
6 6 0 peak 7282 volume 15744419 hpm1 54.525 ppm1 -0.182 ppm2 7.171
!# peak 7283-----------------------------------------------
assi (attr store1 < 3.073 and attr store1 > 2.953)
    ((attr store1 < 4.441 and attr store1 > 4.381)
     and bondedto (attr store1 < 54.996 and attr store1 > 53.796))
6 6 0 peak 7283 volume 172720800 hpm1 54.396 ppm1 4.411 ppm2 3.013
!# peak 7284-----------------------------------------------
assi (attr store1 < 2.783 and attr store1 > 2.663)
    ((attr store1 < 4.460 and attr store1 > 4.400)
     and bondedto (attr store1 < 55.033 and attr store1 > 53.833))
6 6 0 peak 7284 volume 587427392 hpm1 54.433 ppm1 4.430 ppm2 2.723
!# peak 7285-----------------------------------------------
assi (attr store1 < 2.426 and attr store1 > 2.306)
    ((attr store1 < 4.440 and attr store1 > 4.380)
     and bondedto (attr store1 < 55.007 and attr store1 > 53.807))
6 6 0 peak 7285 volume 382839008 hpm1 54.407 ppm1 4.410 ppm2 2.366
!# peak 7286-----------------------------------------------
assi (attr store1 < 1.830 and attr store1 > 1.710)
    ((attr store1 < 4.442 and attr store1 > 4.382)
     and bondedto (attr store1 < 54.922 and attr store1 > 53.722))
6 6 0 peak 7286 volume 835553984 hpm1 54.322 ppm1 4.412 ppm2 1.770
!# peak 7287-----------------------------------------------
assi (attr store1 < 1.512 and attr store1 > 1.392)
    ((attr store1 < 4.440 and attr store1 > 4.380)
     and bondedto (attr store1 < 54.950 and attr store1 > 53.750))
6 6 0 peak 7287 volume 339347200 hpm1 54.350 ppm1 4.410 ppm2 1.452
!# peak 7288-----------------------------------------------
assi (attr store1 < 0.871 and attr store1 > 0.751)
    ((attr store1 < 4.442 and attr store1 > 4.382)
     and bondedto (attr store1 < 54.940 and attr store1 > 53.740))
6 6 0 peak 7288 volume 991474112 hpm1 54.340 ppm1 4.412 ppm2 0.811
!# peak 7289-----------------------------------------------
assi (attr store1 < 0.702 and attr store1 > 0.582)
    ((attr store1 < 4.442 and attr store1 > 4.382)
     and bondedto (attr store1 < 55.006 and attr store1 > 53.806))
6 6 0 peak 7289 volume 318631488 hpm1 54.406 ppm1 4.412 ppm2 0.642
!# peak 7290-----------------------------------------------
assi (attr store1 < 0.459 and attr store1 > 0.339)
    ((attr store1 < 4.444 and attr store1 > 4.384)
     and bondedto (attr store1 < 55.008 and attr store1 > 53.808))
6 6 0 peak 7290 volume 23913730 hpm1 54.408 ppm1 4.414 ppm2 0.399
!# peak 7291-----------------------------------------------
assi (attr store1 < 1.518 and attr store1 > 1.398)
    ((attr store1 < 4.260 and attr store1 > 4.200)
     and bondedto (attr store1 < 54.436 and attr store1 > 53.236))
6 6 0 peak 7291 volume 176126400 hpm1 53.836 ppm1 4.230 ppm2 1.458
!# peak 7292-----------------------------------------------
assi (attr store1 < 2.191 and attr store1 > 2.071)
    ((attr store1 < 3.217 and attr store1 > 3.157)
     and bondedto (attr store1 < 54.677 and attr store1 > 53.477))
6 6 0 peak 7292 volume 251880288 hpm1 54.077 ppm1 3.187 ppm2 2.131
!# peak 7293-----------------------------------------------
assi (attr store1 < 7.920 and attr store1 > 7.800)
    ((attr store1 < -0.218 and attr store1 > -0.278)
     and bondedto (attr store1 < 47.296 and attr store1 > 46.096))
6 6 0 peak 7293 volume 20697910 hpm1 46.696 ppm1 -0.248 ppm2 7.860
!# peak 7294-----------------------------------------------
assi (attr store1 < 7.575 and attr store1 > 7.455)
    ((attr store1 < -0.219 and attr store1 > -0.279)
     and bondedto (attr store1 < 47.275 and attr store1 > 46.075))
6 6 0 peak 7294 volume 31956882 hpm1 46.675 ppm1 -0.249 ppm2 7.515
!# peak 7295-----------------------------------------------
assi (attr store1 < 6.420 and attr store1 > 6.300)
    ((attr store1 < -0.219 and attr store1 > -0.279)
     and bondedto (attr store1 < 47.250 and attr store1 > 46.050))
6 6 0 peak 7295 volume 14213780 hpm1 46.650 ppm1 -0.249 ppm2 6.360
!# peak 7296-----------------------------------------------
assi (attr store1 < 2.288 and attr store1 > 2.168)
    ((attr store1 < 1.126 and attr store1 > 1.066)
     and bondedto (attr store1 < 42.692 and attr store1 > 41.492))
6 6 0 peak 7296 volume 1169017984 hpm1 42.092 ppm1 1.096 ppm2 2.228
!# peak 7297-----------------------------------------------
assi (attr store1 < 8.257 and attr store1 > 8.137)
    ((attr store1 < 4.014 and attr store1 > 3.954)
     and bondedto (attr store1 < 39.560 and attr store1 > 38.360))
6 6 0 peak 7297 volume 73252488 hpm1 38.960 ppm1 3.984 ppm2 8.197
!# peak 7298-----------------------------------------------
assi (attr store1 < 7.666 and attr store1 > 7.546)
    ((attr store1 < 4.016 and attr store1 > 3.956)
     and bondedto (attr store1 < 39.472 and attr store1 > 38.272))
6 6 0 peak 7298 volume 726597504 hpm1 38.872 ppm1 3.986 ppm2 7.606
!# peak 7299-----------------------------------------------
assi (attr store1 < 8.109 and attr store1 > 7.989)
    ((attr store1 < 3.940 and attr store1 > 3.880)
     and bondedto (attr store1 < 39.415 and attr store1 > 38.215))
6 6 0 peak 7299 volume 47090040 hpm1 38.815 ppm1 3.910 ppm2 8.049
!# peak 7300-----------------------------------------------
assi (attr store1 < 0.743 and attr store1 > 0.623)
    ((attr store1 < 2.373 and attr store1 > 2.313)
     and bondedto (attr store1 < 38.971 and attr store1 > 37.771))
6 6 0 peak 7300 volume 309423904 hpm1 38.371 ppm1 2.343 ppm2 0.683
!# peak 7301-----------------------------------------------
assi (attr store1 < 1.696 and attr store1 > 1.576)
    ((attr store1 < 2.599 and attr store1 > 2.539)
     and bondedto (attr store1 < 38.372 and attr store1 > 37.172))
6 6 0 peak 7301 volume 258340208 hpm1 37.772 ppm1 2.569 ppm2 1.636
!# peak 7302-----------------------------------------------
assi (attr store1 < 3.888 and attr store1 > 3.768)
    ((attr store1 < 2.601 and attr store1 > 2.541)
     and bondedto (attr store1 < 32.990 and attr store1 > 31.790))
6 6 0 peak 7302 volume 168061408 hpm1 32.390 ppm1 2.571 ppm2 3.828
!# peak 7303-----------------------------------------------
assi (attr store1 < 3.426 and attr store1 > 3.306)
    ((attr store1 < 2.600 and attr store1 > 2.540)
     and bondedto (attr store1 < 33.001 and attr store1 > 31.801))
6 6 0 peak 7303 volume 8181655 hpm1 32.401 ppm1 2.570 ppm2 3.366
!# peak 7304-----------------------------------------------
assi (attr store1 < 0.653 and attr store1 > 0.533)
    ((attr store1 < 2.490 and attr store1 > 2.430)
     and bondedto (attr store1 < 32.953 and attr store1 > 31.753))
6 6 0 peak 7304 volume 119650600 hpm1 32.353 ppm1 2.460 ppm2 0.593
!# peak 7305-----------------------------------------------
assi (attr store1 < 7.657 and attr store1 > 7.537)
    ((attr store1 < 4.302 and attr store1 > 4.242)
     and bondedto (attr store1 < 31.929 and attr store1 > 30.729))
6 6 0 peak 7305 volume 113134304 hpm1 31.329 ppm1 4.272 ppm2 7.597
!# peak 7306-----------------------------------------------
assi (attr store1 < 8.241 and attr store1 > 8.121)
    ((attr store1 < 4.303 and attr store1 > 4.243)
     and bondedto (attr store1 < 31.904 and attr store1 > 30.704))
6 6 0 peak 7306 volume 173890496 hpm1 31.304 ppm1 4.273 ppm2 8.181
!# peak 7307-----------------------------------------------
assi (attr store1 < 1.738 and attr store1 > 1.618)
    ((attr store1 < 1.895 and attr store1 > 1.835)
     and bondedto (attr store1 < 54.843 and attr store1 > 53.643))
6 6 0 peak 7307 volume 0.384442e+10 hpm1 54.243 ppm1 1.865 ppm2 1.678
!# peak 7308-----------------------------------------------
assi (attr store1 < 1.999 and attr store1 > 1.879)
    ((attr store1 < 1.733 and attr store1 > 1.673)
     and bondedto (attr store1 < 54.941 and attr store1 > 53.741))
6 6 0 peak 7308 volume 0.3184975e+10 hpm1 54.341 ppm1 1.703 ppm2 1.939
!# peak 7309-----------------------------------------------
assi (attr store1 < 3.432 and attr store1 > 3.312)
    ((attr store1 < 0.990 and attr store1 > 0.930)
     and bondedto (attr store1 < 32.073 and attr store1 > 30.873))
6 6 0 peak 7309 volume 26798030 hpm1 31.473 ppm1 0.960 ppm2 3.372
!# peak 7310-----------------------------------------------
assi (attr store1 < 3.921 and attr store1 > 3.801)
    ((attr store1 < 2.373 and attr store1 > 2.313)
     and bondedto (attr store1 < 33.586 and attr store1 > 32.386))
6 6 0 peak 7310 volume 183065104 hpm1 32.986 ppm1 2.343 ppm2 3.861
!# peak 7311-----------------------------------------------
assi (attr store1 < 3.836 and attr store1 > 3.716)
    ((attr store1 < 2.373 and attr store1 > 2.313)
     and bondedto (attr store1 < 33.581 and attr store1 > 32.381))
6 6 0 peak 7311 volume 208498400 hpm1 32.981 ppm1 2.343 ppm2 3.776
!# peak 7312-----------------------------------------------
assi (attr store1 < 1.791 and attr store1 > 1.671)
    ((attr store1 < 4.012 and attr store1 > 3.952)
     and bondedto (attr store1 < 35.147 and attr store1 > 33.947))
6 6 0 peak 7312 volume 1374918912 hpm1 34.547 ppm1 3.982 ppm2 1.731
!# peak 7313-----------------------------------------------
assi (attr store1 < 1.812 and attr store1 > 1.692)
    ((attr store1 < 3.889 and attr store1 > 3.829)
     and bondedto (attr store1 < 34.777 and attr store1 > 33.577))
6 6 0 peak 7313 volume 1162407936 hpm1 34.177 ppm1 3.859 ppm2 1.752
!# peak 7314-----------------------------------------------
assi (attr store1 < 2.554 and attr store1 > 2.434)
    ((attr store1 < 4.319 and attr store1 > 4.259)
     and bondedto (attr store1 < 35.563 and attr store1 > 34.363))
6 6 0 peak 7314 volume 110769000 hpm1 34.963 ppm1 4.289 ppm2 2.494
!# peak 7315-----------------------------------------------
assi (attr store1 < 2.394 and attr store1 > 2.274)
    ((attr store1 < 4.318 and attr store1 > 4.258)
     and bondedto (attr store1 < 35.583 and attr store1 > 34.383))
6 6 0 peak 7315 volume 444532800 hpm1 34.983 ppm1 4.288 ppm2 2.334
!# peak 7316-----------------------------------------------
assi (attr store1 < 2.163 and attr store1 > 2.043)
    ((attr store1 < 4.319 and attr store1 > 4.259)
     and bondedto (attr store1 < 35.588 and attr store1 > 34.388))
6 6 0 peak 7316 volume 322180384 hpm1 34.988 ppm1 4.289 ppm2 2.103
!# peak 7317-----------------------------------------------
assi (attr store1 < 2.422 and attr store1 > 2.302)
    ((attr store1 < 2.670 and attr store1 > 2.610)
     and bondedto (attr store1 < 39.469 and attr store1 > 38.269))
6 6 0 peak 7317 volume 142455696 hpm1 38.869 ppm1 2.640 ppm2 2.362
! 3Dim peaks from experiment 15nerg_15nednoesy.mat
! peaks entity xpk:noesy
! rough distances bound limits as distance = (&mycal/(volume^(1/6))
!# peak 22-----------------------------------------------
assi (attr store1 < 9.218 and attr store1 > 9.118)
    ((attr store1 < 8.711 and attr store1 > 8.611)
     and bondedto (attr store1 < 129.966 and attr store1 > 128.966))
6 6 0 peak 22 volume 2279525 hpm1 129.466 ppm1 8.661 ppm2 9.168
!# peak 25-----------------------------------------------
assi (attr store1 < 7.865 and attr store1 > 7.765)
    ((attr store1 < 8.713 and attr store1 > 8.613)
     and bondedto (attr store1 < 129.960 and attr store1 > 128.960))
6 6 0 peak 25 volume 12919600 hpm1 129.460 ppm1 8.663 ppm2 7.815
!# peak 26-----------------------------------------------
assi (attr store1 < 7.566 and attr store1 > 7.466)
    ((attr store1 < 8.714 and attr store1 > 8.614)
     and bondedto (attr store1 < 129.960 and attr store1 > 128.960))
6 6 0 peak 26 volume 5130594 hpm1 129.460 ppm1 8.664 ppm2 7.516
!# peak 27-----------------------------------------------
assi (attr store1 < 7.183 and attr store1 > 7.083)
    ((attr store1 < 8.711 and attr store1 > 8.611)
     and bondedto (attr store1 < 129.921 and attr store1 > 128.921))
6 6 0 peak 27 volume 0.1924988e+06 hpm1 129.421 ppm1 8.661 ppm2 7.133
!# peak 28-----------------------------------------------
assi (attr store1 < 5.129 and attr store1 > 5.029)
    ((attr store1 < 8.710 and attr store1 > 8.610)
     and bondedto (attr store1 < 129.947 and attr store1 > 128.947))
6 6 0 peak 28 volume 5162660 hpm1 129.447 ppm1 8.660 ppm2 5.079
!# peak 29-----------------------------------------------
assi (attr store1 < 4.628 and attr store1 > 4.528)
    ((attr store1 < 8.713 and attr store1 > 8.613)
     and bondedto (attr store1 < 129.953 and attr store1 > 128.953))
6 6 0 peak 29 volume 36967488 hpm1 129.453 ppm1 8.663 ppm2 4.578
!# peak 30-----------------------------------------------
assi (attr store1 < 4.636 and attr store1 > 4.536)
    ((attr store1 < 8.541 and attr store1 > 8.441)
     and bondedto (attr store1 < 129.959 and attr store1 > 128.959))
6 6 0 peak 30 volume 2702803 hpm1 129.459 ppm1 8.491 ppm2 4.586
!# peak 31-----------------------------------------------
assi (attr store1 < 4.086 and attr store1 > 3.986)
    ((attr store1 < 8.713 and attr store1 > 8.613)
     and bondedto (attr store1 < 129.955 and attr store1 > 128.955))
6 6 0 peak 31 volume 0.9414163e+06 hpm1 129.455 ppm1 8.663 ppm2 4.036
!# peak 32-----------------------------------------------
assi (attr store1 < 3.875 and attr store1 > 3.775)
    ((attr store1 < 8.715 and attr store1 > 8.615)
     and bondedto (attr store1 < 129.971 and attr store1 > 128.971))
6 6 0 peak 32 volume 1454391 hpm1 129.471 ppm1 8.665 ppm2 3.825
!# peak 33-----------------------------------------------
assi (attr store1 < 3.653 and attr store1 > 3.553)
    ((attr store1 < 8.713 and attr store1 > 8.613)
     and bondedto (attr store1 < 129.954 and attr store1 > 128.954))
6 6 0 peak 33 volume 25096470 hpm1 129.454 ppm1 8.663 ppm2 3.603
!# peak 34-----------------------------------------------
assi (attr store1 < 3.653 and attr store1 > 3.553)
    ((attr store1 < 8.541 and attr store1 > 8.441)
     and bondedto (attr store1 < 130.012 and attr store1 > 129.012))
6 6 0 peak 34 volume 1889028 hpm1 129.512 ppm1 8.491 ppm2 3.603
!# peak 35-----------------------------------------------
assi (attr store1 < 3.43 and attr store1 > 3.33)
    ((attr store1 < 8.714 and attr store1 > 8.614)
     and bondedto (attr store1 < 129.953 and attr store1 > 128.953))
6 6 0 peak 35 volume 34775280 hpm1 129.453 ppm1 8.664 ppm2 3.38
!# peak 36-----------------------------------------------
assi (attr store1 < 3.41 and attr store1 > 3.31)
    ((attr store1 < 8.542 and attr store1 > 8.442)
     and bondedto (attr store1 < 129.967 and attr store1 > 128.967))
6 6 0 peak 36 volume 0.2871031e+07 hpm1 129.467 ppm1 8.492 ppm2 3.36
!# peak 37-----------------------------------------------
assi (attr store1 < 2.796 and attr store1 > 2.696)
    ((attr store1 < 8.714 and attr store1 > 8.614)
     and bondedto (attr store1 < 129.954 and attr store1 > 128.954))
6 6 0 peak 37 volume 17598590 hpm1 129.454 ppm1 8.664 ppm2 2.746
!# peak 38-----------------------------------------------
assi (attr store1 < 2.011 and attr store1 > 1.911)
    ((attr store1 < 8.711 and attr store1 > 8.611)
     and bondedto (attr store1 < 129.965 and attr store1 > 128.965))
6 6 0 peak 38 volume 3670537 hpm1 129.465 ppm1 8.661 ppm2 1.961
!# peak 39-----------------------------------------------
assi (attr store1 < 1.788 and attr store1 > 1.688)
    ((attr store1 < 8.715 and attr store1 > 8.615)
     and bondedto (attr store1 < 129.921 and attr store1 > 128.921))
6 6 0 peak 39 volume 1214166 hpm1 129.421 ppm1 8.665 ppm2 1.738
!# peak 40-----------------------------------------------
assi (attr store1 < 1.482 and attr store1 > 1.382)
    ((attr store1 < 8.714 and attr store1 > 8.614)
     and bondedto (attr store1 < 129.953 and attr store1 > 128.953))
6 6 0 peak 40 volume 10965340 hpm1 129.453 ppm1 8.664 ppm2 1.432
!# peak 41-----------------------------------------------
assi (attr store1 < 1.312 and attr store1 > 1.212)
    ((attr store1 < 8.712 and attr store1 > 8.612)
     and bondedto (attr store1 < 129.972 and attr store1 > 128.972))
6 6 0 peak 41 volume 5471308 hpm1 129.472 ppm1 8.662 ppm2 1.262
!# peak 42-----------------------------------------------
assi (attr store1 < 1.028 and attr store1 > 0.928)
    ((attr store1 < 8.715 and attr store1 > 8.615)
     and bondedto (attr store1 < 129.921 and attr store1 > 128.921))
6 6 0 peak 42 volume 3571951 hpm1 129.421 ppm1 8.665 ppm2 0.978
!# peak 50-----------------------------------------------
assi (attr store1 < 7.25 and attr store1 > 7.15)
    ((attr store1 < 9.921 and attr store1 > 9.821)
     and bondedto (attr store1 < 129.809 and attr store1 > 128.809))
6 6 0 peak 50 volume 58733488 hpm1 129.309 ppm1 9.871 ppm2 7.2
!# peak 53-----------------------------------------------
assi (attr store1 < 4.514 and attr store1 > 4.414)
    ((attr store1 < 9.920 and attr store1 > 9.820)
     and bondedto (attr store1 < 129.814 and attr store1 > 128.814))
6 6 0 peak 53 volume 3271730 hpm1 129.314 ppm1 9.870 ppm2 4.464
!# peak 54-----------------------------------------------
assi (attr store1 < 4.358 and attr store1 > 4.258)
    ((attr store1 < 9.921 and attr store1 > 9.821)
     and bondedto (attr store1 < 129.813 and attr store1 > 128.813))
6 6 0 peak 54 volume 3588736 hpm1 129.313 ppm1 9.871 ppm2 4.308
!# peak 55-----------------------------------------------
assi (attr store1 < 3.566 and attr store1 > 3.466)
    ((attr store1 < 9.919 and attr store1 > 9.819)
     and bondedto (attr store1 < 129.807 and attr store1 > 128.807))
6 6 0 peak 55 volume 1652263 hpm1 129.307 ppm1 9.869 ppm2 3.516
!# peak 56-----------------------------------------------
assi (attr store1 < 3.692 and attr store1 > 3.592)
    ((attr store1 < 9.921 and attr store1 > 9.821)
     and bondedto (attr store1 < 129.801 and attr store1 > 128.801))
6 6 0 peak 56 volume 2235241 hpm1 129.301 ppm1 9.871 ppm2 3.642
!# peak 57-----------------------------------------------
assi (attr store1 < 3.247 and attr store1 > 3.147)
    ((attr store1 < 9.919 and attr store1 > 9.819)
     and bondedto (attr store1 < 129.800 and attr store1 > 128.800))
6 6 0 peak 57 volume 2368167 hpm1 129.300 ppm1 9.869 ppm2 3.197
!# peak 58-----------------------------------------------
assi (attr store1 < 0.796 and attr store1 > 0.696)
    ((attr store1 < 9.920 and attr store1 > 9.820)
     and bondedto (attr store1 < 129.805 and attr store1 > 128.805))
6 6 0 peak 58 volume 4088839 hpm1 129.305 ppm1 9.870 ppm2 0.746
!# peak 59-----------------------------------------------
assi (attr store1 < 1.63 and attr store1 > 1.53)
    ((attr store1 < 9.920 and attr store1 > 9.820)
     and bondedto (attr store1 < 129.855 and attr store1 > 128.855))
6 6 0 peak 59 volume 0.1255536e+07 hpm1 129.355 ppm1 9.870 ppm2 1.58
!# peak 60-----------------------------------------------
assi (attr store1 < 1.403 and attr store1 > 1.303)
    ((attr store1 < 9.918 and attr store1 > 9.818)
     and bondedto (attr store1 < 129.798 and attr store1 > 128.798))
6 6 0 peak 60 volume 1636603 hpm1 129.298 ppm1 9.868 ppm2 1.353





!# peak 62-----------------------------------------------
assi (attr store1 < 0.419 and attr store1 > 0.319)
    ((attr store1 < 9.922 and attr store1 > 9.822)
     and bondedto (attr store1 < 129.798 and attr store1 > 128.798))
6 6 0 peak 62 volume 2158474 hpm1 129.298 ppm1 9.872 ppm2 0.369
!# peak 63-----------------------------------------------
assi (attr store1 < 0.191 and attr store1 > 0.091)
    ((attr store1 < 9.918 and attr store1 > 9.818)
     and bondedto (attr store1 < 129.807 and attr store1 > 128.807))
6 6 0 peak 63 volume 1020187 hpm1 129.307 ppm1 9.868 ppm2 0.141
!# peak 68-----------------------------------------------
assi (attr store1 < 7.903 and attr store1 > 7.803)
    ((attr store1 < 11.444 and attr store1 > 11.344)
     and bondedto (attr store1 < 128.046 and attr store1 > 127.046))
6 6 0 peak 68 volume 4097513 hpm1 127.546 ppm1 11.394 ppm2 7.853
!# peak 69-----------------------------------------------
assi (attr store1 < 6.395 and attr store1 > 6.295)
    ((attr store1 < 11.443 and attr store1 > 11.343)
     and bondedto (attr store1 < 128.058 and attr store1 > 127.058))
6 6 0 peak 69 volume 3595154 hpm1 127.558 ppm1 11.393 ppm2 6.345
!# peak 70-----------------------------------------------
assi (attr store1 < 5.618 and attr store1 > 5.518)
    ((attr store1 < 11.447 and attr store1 > 11.347)
     and bondedto (attr store1 < 128.052 and attr store1 > 127.052))
6 6 0 peak 70 volume 26368872 hpm1 127.552 ppm1 11.397 ppm2 5.568
!# peak 71-----------------------------------------------
assi (attr store1 < 5.13 and attr store1 > 5.03)
    ((attr store1 < 11.446 and attr store1 > 11.346)
     and bondedto (attr store1 < 128.047 and attr store1 > 127.047))
6 6 0 peak 71 volume 0.5619376e+07 hpm1 127.547 ppm1 11.396 ppm2 5.08
!# peak 72-----------------------------------------------
assi (attr store1 < 4.14 and attr store1 > 4.04)
    ((attr store1 < 11.447 and attr store1 > 11.347)
     and bondedto (attr store1 < 128.052 and attr store1 > 127.052))
6 6 0 peak 72 volume 10270380 hpm1 127.552 ppm1 11.397 ppm2 4.09
!# peak 73-----------------------------------------------
assi (attr store1 < 3.624 and attr store1 > 3.524)
    ((attr store1 < 11.445 and attr store1 > 11.345)
     and bondedto (attr store1 < 128.041 and attr store1 > 127.041))
6 6 0 peak 73 volume 6052829 hpm1 127.541 ppm1 11.395 ppm2 3.574
!# peak 74-----------------------------------------------
assi (attr store1 < 3.425 and attr store1 > 3.325)
    ((attr store1 < 11.448 and attr store1 > 11.348)
     and bondedto (attr store1 < 128.052 and attr store1 > 127.052))
6 6 0 peak 74 volume 13650990 hpm1 127.552 ppm1 11.398 ppm2 3.375
!# peak 75-----------------------------------------------
assi (attr store1 < 2.214 and attr store1 > 2.114)
    ((attr store1 < 11.447 and attr store1 > 11.347)
     and bondedto (attr store1 < 128.058 and attr store1 > 127.058))
6 6 0 peak 75 volume 6095400 hpm1 127.558 ppm1 11.397 ppm2 2.164
!# peak 76-----------------------------------------------
assi (attr store1 < 1.853 and attr store1 > 1.753)
    ((attr store1 < 11.448 and attr store1 > 11.348)
     and bondedto (attr store1 < 128.027 and attr store1 > 127.027))
6 6 0 peak 76 volume 2376301 hpm1 127.527 ppm1 11.398 ppm2 1.803
!# peak 77-----------------------------------------------
assi (attr store1 < 1.466 and attr store1 > 1.366)
    ((attr store1 < 11.442 and attr store1 > 11.342)
     and bondedto (attr store1 < 128.050 and attr store1 > 127.050))
6 6 0 peak 77 volume 1988810 hpm1 127.550 ppm1 11.392 ppm2 1.416
!# peak 80-----------------------------------------------
assi (attr store1 < 7.547 and attr store1 > 7.447)
    ((attr store1 < 11.445 and attr store1 > 11.345)
     and bondedto (attr store1 < 128.022 and attr store1 > 127.022))
6 6 0 peak 80 volume 4929306 hpm1 127.522 ppm1 11.395 ppm2 7.497
!# peak 82-----------------------------------------------
assi (attr store1 < 4.586 and attr store1 > 4.486)
    ((attr store1 < 11.447 and attr store1 > 11.347)
     and bondedto (attr store1 < 128.018 and attr store1 > 127.018))
6 6 0 peak 82 volume 6944909 hpm1 127.518 ppm1 11.397 ppm2 4.536
!# peak 87-----------------------------------------------
assi (attr store1 < 8.468 and attr store1 > 8.368)
    ((attr store1 < 8.960 and attr store1 > 8.860)
     and bondedto (attr store1 < 127.223 and attr store1 > 126.223))
6 6 0 peak 87 volume 1408418 hpm1 126.723 ppm1 8.910 ppm2 8.418
!# peak 89-----------------------------------------------
assi (attr store1 < 8.087 and attr store1 > 7.987)
    ((attr store1 < 8.965 and attr store1 > 8.865)
     and bondedto (attr store1 < 127.244 and attr store1 > 126.244))
6 6 0 peak 89 volume 1100935 hpm1 126.744 ppm1 8.915 ppm2 8.037
!# peak 91-----------------------------------------------
assi (attr store1 < 7.891 and attr store1 > 7.791)
    ((attr store1 < 8.339 and attr store1 > 8.239)
     and bondedto (attr store1 < 127.219 and attr store1 > 126.219))
6 6 0 peak 91 volume 0.2652746e+07 hpm1 126.719 ppm1 8.289 ppm2 7.841
!# peak 92-----------------------------------------------
assi (attr store1 < 7.74 and attr store1 > 7.64)
    ((attr store1 < 8.963 and attr store1 > 8.863)
     and bondedto (attr store1 < 127.223 and attr store1 > 126.223))
6 6 0 peak 92 volume 1182667 hpm1 126.723 ppm1 8.913 ppm2 7.69
!# peak 93-----------------------------------------------
assi (attr store1 < 7.691 and attr store1 > 7.591)
    ((attr store1 < 8.335 and attr store1 > 8.235)
     and bondedto (attr store1 < 127.226 and attr store1 > 126.226))
6 6 0 peak 93 volume 6997303 hpm1 126.726 ppm1 8.285 ppm2 7.641
!# peak 94-----------------------------------------------
assi (attr store1 < 7.014 and attr store1 > 6.914)
    ((attr store1 < 8.961 and attr store1 > 8.861)
     and bondedto (attr store1 < 127.223 and attr store1 > 126.223))
6 6 0 peak 94 volume 1886851 hpm1 126.723 ppm1 8.911 ppm2 6.964
!# peak 95-----------------------------------------------
assi (attr store1 < 4.944 and attr store1 > 4.844)
    ((attr store1 < 8.961 and attr store1 > 8.861)
     and bondedto (attr store1 < 127.215 and attr store1 > 126.215))
6 6 0 peak 95 volume 9975006 hpm1 126.715 ppm1 8.911 ppm2 4.894
!# peak 97-----------------------------------------------
assi (attr store1 < 4.267 and attr store1 > 4.167)
    ((attr store1 < 8.342 and attr store1 > 8.242)
     and bondedto (attr store1 < 127.228 and attr store1 > 126.228))
6 6 0 peak 97 volume 6148296 hpm1 126.728 ppm1 8.292 ppm2 4.217
!# peak 98-----------------------------------------------
assi (attr store1 < 4.102 and attr store1 > 4.002)
    ((attr store1 < 8.336 and attr store1 > 8.236)
     and bondedto (attr store1 < 127.225 and attr store1 > 126.225))
6 6 0 peak 98 volume 54886192 hpm1 126.725 ppm1 8.286 ppm2 4.052
!# peak 99-----------------------------------------------
assi (attr store1 < 4.043 and attr store1 > 3.943)
    ((attr store1 < 8.961 and attr store1 > 8.861)
     and bondedto (attr store1 < 127.225 and attr store1 > 126.225))
6 6 0 peak 99 volume 28545668 hpm1 126.725 ppm1 8.911 ppm2 3.993
!# peak 100-----------------------------------------------
assi (attr store1 < 3.28 and attr store1 > 3.18)
    ((attr store1 < 8.961 and attr store1 > 8.861)
     and bondedto (attr store1 < 127.225 and attr store1 > 126.225))
6 6 0 peak 100 volume 11199100 hpm1 126.725 ppm1 8.911 ppm2 3.23
!# peak 101-----------------------------------------------
assi (attr store1 < 2.877 and attr store1 > 2.777)
    ((attr store1 < 8.961 and attr store1 > 8.861)
     and bondedto (attr store1 < 127.225 and attr store1 > 126.225))
6 6 0 peak 101 volume 10849190 hpm1 126.725 ppm1 8.911 ppm2 2.827
!# peak 102-----------------------------------------------
assi (attr store1 < 1.996 and attr store1 > 1.896)
    ((attr store1 < 8.962 and attr store1 > 8.862)
     and bondedto (attr store1 < 127.221 and attr store1 > 126.221))
6 6 0 peak 102 volume 3242201 hpm1 126.721 ppm1 8.912 ppm2 1.946
!# peak 103-----------------------------------------------
assi (attr store1 < 1.845 and attr store1 > 1.745)
    ((attr store1 < 8.335 and attr store1 > 8.235)
     and bondedto (attr store1 < 127.225 and attr store1 > 126.225))
6 6 0 peak 103 volume 22930220 hpm1 126.725 ppm1 8.285 ppm2 1.795
!# peak 104-----------------------------------------------
assi (attr store1 < 1.717 and attr store1 > 1.617)
    ((attr store1 < 8.969 and attr store1 > 8.869)
     and bondedto (attr store1 < 127.229 and attr store1 > 126.229))
6 6 0 peak 104 volume 1988783 hpm1 126.729 ppm1 8.919 ppm2 1.667
!# peak 105-----------------------------------------------
assi (attr store1 < 1.408 and attr store1 > 1.308)
    ((attr store1 < 8.336 and attr store1 > 8.236)
     and bondedto (attr store1 < 127.225 and attr store1 > 126.225))
6 6 0 peak 105 volume 8774538 hpm1 126.725 ppm1 8.286 ppm2 1.358
!# peak 106-----------------------------------------------
assi (attr store1 < 1.216 and attr store1 > 1.116)
    ((attr store1 < 8.962 and attr store1 > 8.862)
     and bondedto (attr store1 < 127.234 and attr store1 > 126.234))
6 6 0 peak 106 volume 2873277 hpm1 126.734 ppm1 8.912 ppm2 1.166
!# peak 107-----------------------------------------------
assi (attr store1 < 1.093 and attr store1 > 0.993)
    ((attr store1 < 8.337 and attr store1 > 8.237)
     and bondedto (attr store1 < 127.231 and attr store1 > 126.231))
6 6 0 peak 107 volume 8505874 hpm1 126.731 ppm1 8.287 ppm2 1.043
!# peak 108-----------------------------------------------
assi (attr store1 < 0.808 and attr store1 > 0.708)
    ((attr store1 < 8.335 and attr store1 > 8.235)
     and bondedto (attr store1 < 127.224 and attr store1 > 126.224))
6 6 0 peak 108 volume 20607070 hpm1 126.724 ppm1 8.285 ppm2 0.758
!# peak 109-----------------------------------------------
assi (attr store1 < 0.67 and attr store1 > 0.57)
    ((attr store1 < 8.961 and attr store1 > 8.861)
     and bondedto (attr store1 < 127.225 and attr store1 > 126.225))
6 6 0 peak 109 volume 8882350 hpm1 126.725 ppm1 8.911 ppm2 0.62
!# peak 110-----------------------------------------------
assi (attr store1 < 0.556 and attr store1 > 0.456)
    ((attr store1 < 8.336 and attr store1 > 8.236)
     and bondedto (attr store1 < 127.212 and attr store1 > 126.212))
6 6 0 peak 110 volume 2666203 hpm1 126.712 ppm1 8.286 ppm2 0.506
!# peak 114-----------------------------------------------
assi (attr store1 < 7.552 and attr store1 > 7.452)
    ((attr store1 < 10.259 and attr store1 > 10.159)
     and bondedto (attr store1 < 126.993 and attr store1 > 125.993))
6 6 0 peak 114 volume 1541983 hpm1 126.493 ppm1 10.209 ppm2 7.502
!# peak 115-----------------------------------------------
assi (attr store1 < 7.075 and attr store1 > 6.975)
    ((attr store1 < 10.258 and attr store1 > 10.158)
     and bondedto (attr store1 < 126.998 and attr store1 > 125.998))
6 6 0 peak 115 volume 14809769 hpm1 126.498 ppm1 10.208 ppm2 7.025
!# peak 116-----------------------------------------------
assi (attr store1 < 6.396 and attr store1 > 6.296)
    ((attr store1 < 10.257 and attr store1 > 10.157)
     and bondedto (attr store1 < 127.000 and attr store1 > 126.000))
6 6 0 peak 116 volume 21992620 hpm1 126.500 ppm1 10.207 ppm2 6.346
!# peak 117-----------------------------------------------
assi (attr store1 < 5.886 and attr store1 > 5.776)
    ((attr store1 < 10.256 and attr store1 > 10.156)
     and bondedto (attr store1 < 126.991 and attr store1 > 125.991))
6 6 0 peak 117 volume 0.9714063e+06 hpm1 126.491 ppm1 10.206 ppm2 5.836
!# peak 118-----------------------------------------------
assi (attr store1 < 5.617 and attr store1 > 5.517)
    ((attr store1 < 10.258 and attr store1 > 10.158)
     and bondedto (attr store1 < 127.007 and attr store1 > 126.007))
6 6 0 peak 118 volume 0.2722228e+07 hpm1 126.507 ppm1 10.208 ppm2 5.567
!# peak 119-----------------------------------------------
assi (attr store1 < 4.174 and attr store1 > 4.074)
    ((attr store1 < 10.260 and attr store1 > 10.160)
     and bondedto (attr store1 < 126.993 and attr store1 > 125.993))
6 6 0 peak 119 volume 5329365 hpm1 126.493 ppm1 10.210 ppm2 4.124
!# peak 120-----------------------------------------------
assi (attr store1 < 3.416 and attr store1 > 3.316)
    ((attr store1 < 10.257 and attr store1 > 10.157)
     and bondedto (attr store1 < 127.005 and attr store1 > 126.005))
6 6 0 peak 120 volume 2221611 hpm1 126.505 ppm1 10.207 ppm2 3.366
!# peak 121-----------------------------------------------
assi (attr store1 < 2.746 and attr store1 > 2.646)
    ((attr store1 < 10.258 and attr store1 > 10.158)
     and bondedto (attr store1 < 127.000 and attr store1 > 126.000))
6 6 0 peak 121 volume 9437320 hpm1 126.500 ppm1 10.208 ppm2 2.696
!# peak 122-----------------------------------------------
assi (attr store1 < 0.544 and attr store1 > 0.444)
    ((attr store1 < 10.259 and attr store1 > 10.159)
     and bondedto (attr store1 < 126.998 and attr store1 > 125.998))
6 6 0 peak 122 volume 12799570 hpm1 126.498 ppm1 10.209 ppm2 0.494
!# peak 123-----------------------------------------------
assi (attr store1 < 2.007 and attr store1 > 1.907)
    ((attr store1 < 10.261 and attr store1 > 10.161)
     and bondedto (attr store1 < 127.002 and attr store1 > 126.002))
6 6 0 peak 123 volume 3644919 hpm1 126.502 ppm1 10.211 ppm2 1.957
!# peak 124-----------------------------------------------
assi (attr store1 < 1.849 and attr store1 > 1.749)
    ((attr store1 < 10.257 and attr store1 > 10.157)
     and bondedto (attr store1 < 127 and attr store1 > 126))
6 6 0 peak 124 volume 18251320 hpm1 126.5 ppm1 10.207 ppm2 1.799
!# peak 125-----------------------------------------------
assi (attr store1 < 1.434 and attr store1 > 1.334)
    ((attr store1 < 10.258 and attr store1 > 10.158)
     and bondedto (attr store1 < 127 and attr store1 > 126))
6 6 0 peak 125 volume 20952320 hpm1 126.5 ppm1 10.208 ppm2 1.384
!# peak 126-----------------------------------------------
assi (attr store1 < 0.987 and attr store1 > 0.887)
    ((attr store1 < 10.257 and attr store1 > 10.157)
     and bondedto (attr store1 < 126.989 and attr store1 > 125.989))
6 6 0 peak 126 volume 4865453 hpm1 126.489 ppm1 10.207 ppm2 0.937
!# peak 127-----------------------------------------------
assi (attr store1 < 0.633 and attr store1 > 0.533)
    ((attr store1 < 10.258 and attr store1 > 10.158)
     and bondedto (attr store1 < 127.000 and attr store1 > 126.000))
6 6 0 peak 127 volume 18593290 hpm1 126.500 ppm1 10.208 ppm2 0.583
!# peak 128-----------------------------------------------
assi (attr store1 < -0.131 and attr store1 > -0.231)
    ((attr store1 < 10.255 and attr store1 > 10.155)
     and bondedto (attr store1 < 127.006 and attr store1 > 126.006))
6 6 0 peak 128 volume 1139251 hpm1 126.506 ppm1 10.205 ppm2 -0.181
!# peak 135-----------------------------------------------
assi (attr store1 < 7.288 and attr store1 > 7.188)
    ((attr store1 < 8.483 and attr store1 > 8.383)
     and bondedto (attr store1 < 125.34 and attr store1 > 124.34))
6 6 0 peak 135 volume 1323124 hpm1 124.84 ppm1 8.433 ppm2 7.238
!# peak 136-----------------------------------------------
assi (attr store1 < 4.319 and attr store1 > 4.219)
    ((attr store1 < 8.489 and attr store1 > 8.389)
     and bondedto (attr store1 < 125.346 and attr store1 > 124.346))
6 6 0 peak 136 volume 5925588 hpm1 124.846 ppm1 8.439 ppm2 4.269
!# peak 137-----------------------------------------------
assi (attr store1 < 4.138 and attr store1 > 4.038)
    ((attr store1 < 8.489 and attr store1 > 8.389)
     and bondedto (attr store1 < 125.343 and attr store1 > 124.343))
6 6 0 peak 137 volume 1294073 hpm1 124.843 ppm1 8.439 ppm2 4.088
!# peak 138-----------------------------------------------
assi (attr store1 < 1.441 and attr store1 > 1.341)
    ((attr store1 < 8.486 and attr store1 > 8.386)
     and bondedto (attr store1 < 125.335 and attr store1 > 124.335))
6 6 0 peak 138 volume 6252865 hpm1 124.835 ppm1 8.436 ppm2 1.391
!# peak 141-----------------------------------------------
assi (attr store1 < 0.519 and attr store1 > 0.419)
    ((attr store1 < 7.677 and attr store1 > 7.577)
     and bondedto (attr store1 < 124.923 and attr store1 > 123.723))
6 6 0 peak 141 volume 1786686 hpm1 124.423 ppm1 7.627 ppm2 0.469
!# peak 142-----------------------------------------------
assi (attr store1 < 8.996 and attr store1 > 8.896)
    ((attr store1 < 8.448 and attr store1 > 8.348)
     and bondedto (attr store1 < 124.782 and attr store1 > 123.782))
6 6 0 peak 142 volume 2106549 hpm1 124.282 ppm1 8.398 ppm2 8.946
!# peak 148-----------------------------------------------
assi (attr store1 < 8.003 and attr store1 > 7.903)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 124.783 and attr store1 > 123.783))
6 6 0 peak 148 volume 13977671 hpm1 124.283 ppm1 8.399 ppm2 7.953
!# peak 149-----------------------------------------------
assi (attr store1 < 7.71 and attr store1 > 7.61)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 124.766 and attr store1 > 123.766))
6 6 0 peak 149 volume 1773657 hpm1 124.266 ppm1 8.399 ppm2 7.66
!# peak 150-----------------------------------------------
assi (attr store1 < 4.94 and attr store1 > 4.84)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 124.783 and attr store1 > 123.783))
6 6 0 peak 150 volume 48742360 hpm1 124.283 ppm1 8.399 ppm2 4.89
!# peak 152-----------------------------------------------
assi (attr store1 < 4.446 and attr store1 > 4.346)
    ((attr store1 < 8.207 and attr store1 > 8.107)
     and bondedto (attr store1 < 124.791 and attr store1 > 123.791))
6 6 0 peak 152 volume 34572352 hpm1 124.291 ppm1 8.157 ppm2 4.396
!# peak 153-----------------------------------------------
assi (attr store1 < 3.744 and attr store1 > 3.644)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 124.782 and attr store1 > 123.782))
6 6 0 peak 153 volume 11352770 hpm1 124.282 ppm1 8.399 ppm2 3.694
!# peak 154-----------------------------------------------
assi (attr store1 < 3.778 and attr store1 > 3.678)
    ((attr store1 < 8.212 and attr store1 > 8.112)
     and bondedto (attr store1 < 124.83 and attr store1 > 123.83))
6 6 0 peak 154 volume 1604992 hpm1 124.33 ppm1 8.162 ppm2 3.728
!# peak 155-----------------------------------------------
assi (attr store1 < 3.28 and attr store1 > 3.18)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 124.772 and attr store1 > 123.772))
6 6 0 peak 155 volume 3333229 hpm1 124.272 ppm1 8.399 ppm2 3.23
!# peak 156-----------------------------------------------
assi (attr store1 < 2.877 and attr store1 > 2.777)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 124.783 and attr store1 > 123.783))
6 6 0 peak 156 volume 4647967 hpm1 124.283 ppm1 8.399 ppm2 2.827
!# peak 157-----------------------------------------------
assi (attr store1 < 1.756 and attr store1 > 1.656)
    ((attr store1 < 8.209 and attr store1 > 8.109)
     and bondedto (attr store1 < 124.790 and attr store1 > 123.790))
6 6 0 peak 157 volume 5176155 hpm1 124.290 ppm1 8.159 ppm2 1.706
!# peak 158-----------------------------------------------
assi (attr store1 < 1.987 and attr store1 > 1.887)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 124.784 and attr store1 > 123.784))
6 6 0 peak 158 volume 27154588 hpm1 124.284 ppm1 8.399 ppm2 1.937
!# peak 159-----------------------------------------------
assi (attr store1 < 1.905 and attr store1 > 1.805)
    ((attr store1 < 8.207 and attr store1 > 8.107)
     and bondedto (attr store1 < 124.794 and attr store1 > 123.794))
6 6 0 peak 159 volume 8464651 hpm1 124.294 ppm1 8.157 ppm2 1.855
!# peak 160-----------------------------------------------
assi (attr store1 < 1.683 and attr store1 > 1.583)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 124.783 and attr store1 > 123.783))
6 6 0 peak 160 volume 21598460 hpm1 124.283 ppm1 8.399 ppm2 1.633
!# peak 161-----------------------------------------------
assi (attr store1 < 1.621 and attr store1 > 1.521)
    ((attr store1 < 8.207 and attr store1 > 8.107)
     and bondedto (attr store1 < 124.791 and attr store1 > 123.791))
6 6 0 peak 161 volume 24912220 hpm1 124.291 ppm1 8.157 ppm2 1.571
!# peak 162-----------------------------------------------
assi (attr store1 < 1.179 and attr store1 > 1.079)
    ((attr store1 < 8.450 and attr store1 > 8.350)
     and bondedto (attr store1 < 124.783 and attr store1 > 123.783))
6 6 0 peak 162 volume 13803791 hpm1 124.283 ppm1 8.400 ppm2 1.129
!# peak 163-----------------------------------------------
assi (attr store1 < 1.174 and attr store1 > 1.074)
    ((attr store1 < 8.210 and attr store1 > 8.110)
     and bondedto (attr store1 < 124.767 and attr store1 > 123.767))
6 6 0 peak 163 volume 1051097 hpm1 124.267 ppm1 8.160 ppm2 1.124
!# peak 164-----------------------------------------------
assi (attr store1 < 1.009 and attr store1 > 0.909)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 124.780 and attr store1 > 123.780))
6 6 0 peak 164 volume 18564080 hpm1 124.280 ppm1 8.399 ppm2 0.959
!# peak 165-----------------------------------------------
assi (attr store1 < 0.946 and attr store1 > 0.846)
    ((attr store1 < 8.205 and attr store1 > 8.105)
     and bondedto (attr store1 < 124.803 and attr store1 > 123.803))
6 6 0 peak 165 volume 2625178 hpm1 124.303 ppm1 8.155 ppm2 0.896
!# peak 166-----------------------------------------------
assi (attr store1 < 0.865 and attr store1 > 0.765)
    ((attr store1 < 8.448 and attr store1 > 8.348)
     and bondedto (attr store1 < 124.779 and attr store1 > 123.779))
6 6 0 peak 166 volume 7551840 hpm1 124.279 ppm1 8.398 ppm2 0.815
!# peak 167-----------------------------------------------
assi (attr store1 < 0.672 and attr store1 > 0.572)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 124.791 and attr store1 > 123.791))
6 6 0 peak 167 volume 3354931 hpm1 124.291 ppm1 8.399 ppm2 0.622
!# peak 169-----------------------------------------------
assi (attr store1 < 9.083 and attr store1 > 8.983)
    ((attr store1 < 7.614 and attr store1 > 7.514)
     and bondedto (attr store1 < 124.342 and attr store1 > 123.342))
6 6 0 peak 169 volume 2846169 hpm1 123.842 ppm1 7.564 ppm2 9.033
!# peak 170-----------------------------------------------
assi (attr store1 < 8.74 and attr store1 > 8.64)
    ((attr store1 < 7.619 and attr store1 > 7.519)
     and bondedto (attr store1 < 124.361 and attr store1 > 123.361))
6 6 0 peak 170 volume 2509310 hpm1 123.861 ppm1 7.569 ppm2 8.69
!# peak 174-----------------------------------------------
assi (attr store1 < 7.859 and attr store1 > 7.759)
    ((attr store1 < 7.623 and attr store1 > 7.523)
     and bondedto (attr store1 < 124.334 and attr store1 > 123.334))
6 6 0 peak 174 volume 18609020 hpm1 123.834 ppm1 7.573 ppm2 7.809
!# peak 176-----------------------------------------------
assi (attr store1 < 4.64 and attr store1 > 4.54)
    ((attr store1 < 7.624 and attr store1 > 7.524)
     and bondedto (attr store1 < 124.356 and attr store1 > 123.356))
6 6 0 peak 176 volume 14614031 hpm1 123.856 ppm1 7.574 ppm2 4.59
!# peak 177-----------------------------------------------
assi (attr store1 < 4.056 and attr store1 > 3.956)
    ((attr store1 < 7.625 and attr store1 > 7.525)
     and bondedto (attr store1 < 124.358 and attr store1 > 123.358))
6 6 0 peak 177 volume 65100656 hpm1 123.858 ppm1 7.575 ppm2 4.006
!# peak 178-----------------------------------------------
assi (attr store1 < 3.439 and attr store1 > 3.339)
    ((attr store1 < 7.623 and attr store1 > 7.523)
     and bondedto (attr store1 < 124.354 and attr store1 > 123.354))
6 6 0 peak 178 volume 7492680 hpm1 123.854 ppm1 7.573 ppm2 3.389
!# peak 179-----------------------------------------------
assi (attr store1 < 1.956 and attr store1 > 1.856)
    ((attr store1 < 7.630 and attr store1 > 7.530)
     and bondedto (attr store1 < 124.354 and attr store1 > 123.354))
6 6 0 peak 179 volume 5670221 hpm1 123.854 ppm1 7.580 ppm2 1.906
!# peak 180-----------------------------------------------
assi (attr store1 < 1.04 and attr store1 > 0.94)
    ((attr store1 < 7.620 and attr store1 > 7.520)
     and bondedto (attr store1 < 124.352 and attr store1 > 123.352))
6 6 0 peak 180 volume 12006010 hpm1 123.852 ppm1 7.570 ppm2 0.99
!# peak 181-----------------------------------------------
assi (attr store1 < 1.533 and attr store1 > 1.433)
    ((attr store1 < 7.623 and attr store1 > 7.523)
     and bondedto (attr store1 < 124.331 and attr store1 > 123.331))
6 6 0 peak 181 volume 5783217 hpm1 123.831 ppm1 7.573 ppm2 1.483
!# peak 182-----------------------------------------------
assi (attr store1 < 1.314 and attr store1 > 1.214)
    ((attr store1 < 7.624 and attr store1 > 7.524)
     and bondedto (attr store1 < 124.363 and attr store1 > 123.363))
6 6 0 peak 182 volume 15596600 hpm1 123.863 ppm1 7.574 ppm2 1.264
!# peak 183-----------------------------------------------
assi (attr store1 < 1.146 and attr store1 > 1.046)
    ((attr store1 < 7.623 and attr store1 > 7.523)
     and bondedto (attr store1 < 124.347 and attr store1 > 123.347))
6 6 0 peak 183 volume 23783490 hpm1 123.847 ppm1 7.573 ppm2 1.096
!# peak 184-----------------------------------------------
assi (attr store1 < 0.749 and attr store1 > 0.649)
    ((attr store1 < 7.627 and attr store1 > 7.527)
     and bondedto (attr store1 < 124.383 and attr store1 > 123.383))
6 6 0 peak 184 volume 2758146 hpm1 123.883 ppm1 7.577 ppm2 0.699
!# peak 185-----------------------------------------------
assi (attr store1 < 8.674 and attr store1 > 8.574)
    ((attr store1 < 9.101 and attr store1 > 9.001)
     and bondedto (attr store1 < 124.278 and attr store1 > 123.278))
6 6 0 peak 185 volume 10434100 hpm1 123.778 ppm1 9.051 ppm2 8.624
!# peak 186-----------------------------------------------
assi (attr store1 < 6.9 and attr store1 > 6.8)
    ((attr store1 < 9.098 and attr store1 > 8.998)
     and bondedto (attr store1 < 124.280 and attr store1 > 123.280))
6 6 0 peak 186 volume 3502377 hpm1 123.780 ppm1 9.048 ppm2 6.85
!# peak 187-----------------------------------------------
assi (attr store1 < 7.959 and attr store1 > 7.859)
    ((attr store1 < 9.091 and attr store1 > 8.991)
     and bondedto (attr store1 < 124.275 and attr store1 > 123.275))
6 6 0 peak 187 volume 16853300 hpm1 123.775 ppm1 9.041 ppm2 7.909
!# peak 188-----------------------------------------------
assi (attr store1 < 7.234 and attr store1 > 7.134)
    ((attr store1 < 9.096 and attr store1 > 8.996)
     and bondedto (attr store1 < 124.276 and attr store1 > 123.276))
6 6 0 peak 188 volume 15735710 hpm1 123.776 ppm1 9.046 ppm2 7.184
!# peak 189-----------------------------------------------
assi (attr store1 < 6.847 and attr store1 > 6.747)
    ((attr store1 < 9.091 and attr store1 > 8.991)
     and bondedto (attr store1 < 124.270 and attr store1 > 123.270))
6 6 0 peak 189 volume 3175899 hpm1 123.770 ppm1 9.041 ppm2 6.797
!# peak 190-----------------------------------------------
assi (attr store1 < 6.561 and attr store1 > 6.461)
    ((attr store1 < 9.100 and attr store1 > 9.000)
     and bondedto (attr store1 < 124.263 and attr store1 > 123.263))
6 6 0 peak 190 volume 1933095 hpm1 123.763 ppm1 9.050 ppm2 6.511
!# peak 191-----------------------------------------------
assi (attr store1 < 4.33 and attr store1 > 4.23)
    ((attr store1 < 9.091 and attr store1 > 8.991)
     and bondedto (attr store1 < 124.272 and attr store1 > 123.272))
6 6 0 peak 191 volume 3355818 hpm1 123.772 ppm1 9.041 ppm2 4.28
!# peak 192-----------------------------------------------
assi (attr store1 < 4.063 and attr store1 > 3.963)
    ((attr store1 < 9.098 and attr store1 > 8.998)
     and bondedto (attr store1 < 124.283 and attr store1 > 123.283))
6 6 0 peak 192 volume 7772178 hpm1 123.783 ppm1 9.048 ppm2 4.013
!# peak 193-----------------------------------------------
assi (attr store1 < 3.414 and attr store1 > 3.314)
    ((attr store1 < 9.095 and attr store1 > 8.995)
     and bondedto (attr store1 < 124.279 and attr store1 > 123.279))
6 6 0 peak 193 volume 10685910 hpm1 123.779 ppm1 9.045 ppm2 3.364
!# peak 194-----------------------------------------------
assi (attr store1 < 3.273 and attr store1 > 3.173)
    ((attr store1 < 9.093 and attr store1 > 8.993)
     and bondedto (attr store1 < 124.276 and attr store1 > 123.276))
6 6 0 peak 194 volume 19715890 hpm1 123.776 ppm1 9.043 ppm2 3.223
!# peak 195-----------------------------------------------
assi (attr store1 < 2.942 and attr store1 > 2.842)
    ((attr store1 < 9.092 and attr store1 > 8.992)
     and bondedto (attr store1 < 124.271 and attr store1 > 123.271))
6 6 0 peak 195 volume 12766141 hpm1 123.771 ppm1 9.042 ppm2 2.892
!# peak 196-----------------------------------------------
assi (attr store1 < 2.164 and attr store1 > 2.064)
    ((attr store1 < 9.099 and attr store1 > 8.999)
     and bondedto (attr store1 < 124.277 and attr store1 > 123.277))
6 6 0 peak 196 volume 4003433 hpm1 123.777 ppm1 9.049 ppm2 2.114
!# peak 197-----------------------------------------------
assi (attr store1 < 1.961 and attr store1 > 1.861)
    ((attr store1 < 9.093 and attr store1 > 8.993)
     and bondedto (attr store1 < 124.262 and attr store1 > 123.262))
6 6 0 peak 197 volume 3378251 hpm1 123.762 ppm1 9.043 ppm2 1.911
!# peak 198-----------------------------------------------
assi (attr store1 < 1.794 and attr store1 > 1.694)
    ((attr store1 < 9.089 and attr store1 > 8.989)
     and bondedto (attr store1 < 124.273 and attr store1 > 123.273))
6 6 0 peak 198 volume 0.2587222e+07 hpm1 123.773 ppm1 9.039 ppm2 1.744
!# peak 199-----------------------------------------------
assi (attr store1 < 0.86 and attr store1 > 0.76)
    ((attr store1 < 9.091 and attr store1 > 8.991)
     and bondedto (attr store1 < 124.273 and attr store1 > 123.273))
6 6 0 peak 199 volume 40465100 hpm1 123.773 ppm1 9.041 ppm2 0.81
!# peak 200-----------------------------------------------
assi (attr store1 < 0.413 and attr store1 > 0.313)
    ((attr store1 < 9.089 and attr store1 > 8.989)
     and bondedto (attr store1 < 124.240 and attr store1 > 123.240))
6 6 0 peak 200 volume 3289524 hpm1 123.740 ppm1 9.039 ppm2 0.363
!# peak 201-----------------------------------------------
assi (attr store1 < 0.184 and attr store1 > 0.084)
    ((attr store1 < 9.089 and attr store1 > 8.989)
     and bondedto (attr store1 < 124.257 and attr store1 > 123.257))
6 6 0 peak 201 volume 2801543 hpm1 123.757 ppm1 9.039 ppm2 0.134
!# peak 202-----------------------------------------------
assi (attr store1 < 2.156 and attr store1 > 2.056)
    ((attr store1 < 7.821 and attr store1 > 7.721)
     and bondedto (attr store1 < 123.992 and attr store1 > 122.992))
6 6 0 peak 202 volume 16676921 hpm1 123.492 ppm1 7.771 ppm2 2.106
!# peak 203-----------------------------------------------
assi (attr store1 < 8.773 and attr store1 > 8.673)
    ((attr store1 < 7.820 and attr store1 > 7.720)
     and bondedto (attr store1 < 123.857 and attr store1 > 122.857))
6 6 0 peak 203 volume 21008330 hpm1 123.357 ppm1 7.770 ppm2 8.723
!# peak 205-----------------------------------------------
assi (attr store1 < 7.445 and attr store1 > 7.345)
    ((attr store1 < 7.821 and attr store1 > 7.721)
     and bondedto (attr store1 < 123.855 and attr store1 > 122.855))
6 6 0 peak 205 volume 1341002 hpm1 123.355 ppm1 7.771 ppm2 7.395
!# peak 206-----------------------------------------------
assi (attr store1 < 7.204 and attr store1 > 7.104)
    ((attr store1 < 7.820 and attr store1 > 7.720)
     and bondedto (attr store1 < 123.861 and attr store1 > 122.861))
6 6 0 peak 206 volume 1317541 hpm1 123.361 ppm1 7.770 ppm2 7.154
!# peak 207-----------------------------------------------
assi (attr store1 < 5.003 and attr store1 > 4.903)
    ((attr store1 < 7.820 and attr store1 > 7.720)
     and bondedto (attr store1 < 123.856 and attr store1 > 122.856))
6 6 0 peak 207 volume 11846880 hpm1 123.356 ppm1 7.770 ppm2 4.953
!# peak 209-----------------------------------------------
assi (attr store1 < 4.514 and attr store1 > 4.414)
    ((attr store1 < 7.820 and attr store1 > 7.720)
     and bondedto (attr store1 < 123.859 and attr store1 > 122.859))
6 6 0 peak 209 volume 11983160 hpm1 123.359 ppm1 7.770 ppm2 4.464
!# peak 210-----------------------------------------------
assi (attr store1 < 4.363 and attr store1 > 4.263)
    ((attr store1 < 7.821 and attr store1 > 7.721)
     and bondedto (attr store1 < 123.858 and attr store1 > 122.858))
6 6 0 peak 210 volume 9752587 hpm1 123.358 ppm1 7.771 ppm2 4.313
!# peak 211-----------------------------------------------
assi (attr store1 < 4.054 and attr store1 > 3.954)
    ((attr store1 < 7.820 and attr store1 > 7.720)
     and bondedto (attr store1 < 123.862 and attr store1 > 122.862))
6 6 0 peak 211 volume 17541320 hpm1 123.362 ppm1 7.770 ppm2 4.004
!# peak 212-----------------------------------------------
assi (attr store1 < 3.42 and attr store1 > 3.32)
    ((attr store1 < 7.821 and attr store1 > 7.721)
     and bondedto (attr store1 < 123.871 and attr store1 > 122.871))
6 6 0 peak 212 volume 0.201752e+07 hpm1 123.371 ppm1 7.771 ppm2 3.37
!# peak 213-----------------------------------------------
assi (attr store1 < 3.063 and attr store1 > 2.963)
    ((attr store1 < 7.820 and attr store1 > 7.720)
     and bondedto (attr store1 < 123.861 and attr store1 > 122.861))
6 6 0 peak 213 volume 5072674 hpm1 123.361 ppm1 7.770 ppm2 3.013
!# peak 214-----------------------------------------------
assi (attr store1 < 2.689 and attr store1 > 2.589)
    ((attr store1 < 7.820 and attr store1 > 7.720)
     and bondedto (attr store1 < 123.844 and attr store1 > 122.844))
6 6 0 peak 214 volume 0.5893518e+07 hpm1 123.344 ppm1 7.770 ppm2 2.639
!# peak 215-----------------------------------------------
assi (attr store1 < 2.284 and attr store1 > 2.184)
    ((attr store1 < 7.820 and attr store1 > 7.720)
     and bondedto (attr store1 < 123.854 and attr store1 > 122.854))
6 6 0 peak 215 volume 38333080 hpm1 123.354 ppm1 7.770 ppm2 2.234
!# peak 216-----------------------------------------------
assi (attr store1 < 1.053 and attr store1 > 0.953)
    ((attr store1 < 7.822 and attr store1 > 7.722)
     and bondedto (attr store1 < 123.853 and attr store1 > 122.853))
6 6 0 peak 216 volume 20253630 hpm1 123.353 ppm1 7.772 ppm2 1.003
!# peak 217-----------------------------------------------
assi (attr store1 < 1.313 and attr store1 > 1.213)
    ((attr store1 < 7.820 and attr store1 > 7.720)
     and bondedto (attr store1 < 123.858 and attr store1 > 122.858))
6 6 0 peak 217 volume 16650259 hpm1 123.358 ppm1 7.770 ppm2 1.263
!# peak 218-----------------------------------------------
assi (attr store1 < 1.12 and attr store1 > 1.02)
    ((attr store1 < 7.819 and attr store1 > 7.719)
     and bondedto (attr store1 < 123.858 and attr store1 > 122.858))
6 6 0 peak 218 volume 22686760 hpm1 123.358 ppm1 7.769 ppm2 1.07
!# peak 219-----------------------------------------------
assi (attr store1 < 0.753 and attr store1 > 0.653)
    ((attr store1 < 7.820 and attr store1 > 7.720)
     and bondedto (attr store1 < 123.856 and attr store1 > 122.856))
6 6 0 peak 219 volume 7455400 hpm1 123.356 ppm1 7.770 ppm2 0.703
!# peak 223-----------------------------------------------
assi (attr store1 < 0.87 and attr store1 > 0.77)
    ((attr store1 < 8.126 and attr store1 > 8.026)
     and bondedto (attr store1 < 123.492 and attr store1 > 122.492))
6 6 0 peak 223 volume 0.9552244e+06 hpm1 122.992 ppm1 8.076 ppm2 0.82
!# peak 224-----------------------------------------------
assi (attr store1 < 8.567 and attr store1 > 8.467)
    ((attr store1 < 8.126 and attr store1 > 8.026)
     and bondedto (attr store1 < 123.398 and attr store1 > 122.398))
6 6 0 peak 224 volume 17400900 hpm1 122.898 ppm1 8.076 ppm2 8.517
!# peak 226-----------------------------------------------
assi (attr store1 < 7.804 and attr store1 > 7.704)
    ((attr store1 < 8.127 and attr store1 > 8.027)
     and bondedto (attr store1 < 123.397 and attr store1 > 122.397))
6 6 0 peak 226 volume 14308110 hpm1 122.897 ppm1 8.077 ppm2 7.754
!# peak 227-----------------------------------------------
assi (attr store1 < 7.264 and attr store1 > 7.164)
    ((attr store1 < 8.123 and attr store1 > 8.023)
     and bondedto (attr store1 < 123.380 and attr store1 > 122.380))
6 6 0 peak 227 volume 0.3396623e+07 hpm1 122.880 ppm1 8.073 ppm2 7.214
!# peak 228-----------------------------------------------
assi (attr store1 < 6.112 and attr store1 > 6.012)
    ((attr store1 < 8.592 and attr store1 > 8.492)
     and bondedto (attr store1 < 123.234 and attr store1 > 122.234))
6 6 0 peak 228 volume 1358180 hpm1 122.734 ppm1 8.542 ppm2 6.062
!# peak 229-----------------------------------------------
assi (attr store1 < 4.588 and attr store1 > 4.488)
    ((attr store1 < 8.126 and attr store1 > 8.026)
     and bondedto (attr store1 < 123.390 and attr store1 > 122.390))
6 6 0 peak 229 volume 13183860 hpm1 122.890 ppm1 8.076 ppm2 4.538
!# peak 230-----------------------------------------------
assi (attr store1 < 4.271 and attr store1 > 4.171)
    ((attr store1 < 8.125 and attr store1 > 8.025)
     and bondedto (attr store1 < 123.386 and attr store1 > 122.386))
6 6 0 peak 230 volume 0.5578604e+07 hpm1 122.886 ppm1 8.075 ppm2 4.221
!# peak 231-----------------------------------------------
assi (attr store1 < 4.02 and attr store1 > 3.92)
    ((attr store1 < 8.128 and attr store1 > 8.028)
     and bondedto (attr store1 < 123.401 and attr store1 > 122.401))
6 6 0 peak 231 volume 23988930 hpm1 122.901 ppm1 8.078 ppm2 3.97
!# peak 232-----------------------------------------------
assi (attr store1 < 3.699 and attr store1 > 3.599)
    ((attr store1 < 8.126 and attr store1 > 8.026)
     and bondedto (attr store1 < 123.391 and attr store1 > 122.391))
6 6 0 peak 232 volume 26959508 hpm1 122.891 ppm1 8.076 ppm2 3.649
!# peak 233-----------------------------------------------
assi (attr store1 < 3.478 and attr store1 > 3.378)
    ((attr store1 < 8.127 and attr store1 > 8.027)
     and bondedto (attr store1 < 123.395 and attr store1 > 122.395))
6 6 0 peak 233 volume 27038910 hpm1 122.895 ppm1 8.077 ppm2 3.428
!# peak 234-----------------------------------------------
assi (attr store1 < 3.252 and attr store1 > 3.152)
    ((attr store1 < 8.120 and attr store1 > 8.020)
     and bondedto (attr store1 < 123.348 and attr store1 > 122.348))
6 6 0 peak 234 volume 0.2066418e+07 hpm1 122.848 ppm1 8.070 ppm2 3.202
!# peak 235-----------------------------------------------
assi (attr store1 < 1.756 and attr store1 > 1.656)
    ((attr store1 < 8.126 and attr store1 > 8.026)
     and bondedto (attr store1 < 123.359 and attr store1 > 122.359))
6 6 0 peak 235 volume 5415918 hpm1 122.859 ppm1 8.076 ppm2 1.706
!# peak 236-----------------------------------------------
assi (attr store1 < 0.627 and attr store1 > 0.527)
    ((attr store1 < 8.146 and attr store1 > 8.046)
     and bondedto (attr store1 < 123.301 and attr store1 > 122.301))
6 6 0 peak 236 volume 1024333 hpm1 122.801 ppm1 8.096 ppm2 0.577
!# peak 237-----------------------------------------------
assi (attr store1 < 0.388 and attr store1 > 0.288)
    ((attr store1 < 8.132 and attr store1 > 8.032)
     and bondedto (attr store1 < 123.401 and attr store1 > 122.401))
6 6 0 peak 237 volume 2787217 hpm1 122.901 ppm1 8.082 ppm2 0.338
!# peak 238-----------------------------------------------
assi (attr store1 < 9.198 and attr store1 > 9.098)
    ((attr store1 < 7.751 and attr store1 > 7.651)
     and bondedto (attr store1 < 123.138 and attr store1 > 122.138))
6 6 0 peak 238 volume 3422352 hpm1 122.638 ppm1 7.701 ppm2 9.148
!# peak 241-----------------------------------------------
assi (attr store1 < 8.134 and attr store1 > 8.034)
    ((attr store1 < 7.747 and attr store1 > 7.647)
     and bondedto (attr store1 < 123.153 and attr store1 > 122.153))
6 6 0 peak 241 volume 2178662 hpm1 122.653 ppm1 7.697 ppm2 8.084
!# peak 242-----------------------------------------------
assi (attr store1 < 8.117 and attr store1 > 8.017)
    ((attr store1 < 8.595 and attr store1 > 8.495)
     and bondedto (attr store1 < 123.166 and attr store1 > 122.166))
6 6 0 peak 242 volume 12927070 hpm1 122.666 ppm1 8.545 ppm2 8.067
!# peak 243-----------------------------------------------
assi (attr store1 < 7.897 and attr store1 > 7.797)
    ((attr store1 < 8.593 and attr store1 > 8.493)
     and bondedto (attr store1 < 123.186 and attr store1 > 122.186))
6 6 0 peak 243 volume 5458548 hpm1 122.686 ppm1 8.543 ppm2 7.847
!# peak 245-----------------------------------------------
assi (attr store1 < 7.602 and attr store1 > 7.502)
    ((attr store1 < 8.594 and attr store1 > 8.494)
     and bondedto (attr store1 < 123.148 and attr store1 > 122.148))
6 6 0 peak 245 volume 0.2035994e+07 hpm1 122.648 ppm1 8.544 ppm2 7.552
!# peak 246-----------------------------------------------
assi (attr store1 < 7.507 and attr store1 > 7.407)
    ((attr store1 < 8.253 and attr store1 > 8.153)
     and bondedto (attr store1 < 123.130 and attr store1 > 122.130))
6 6 0 peak 246 volume 1043765 hpm1 122.630 ppm1 8.203 ppm2 7.457
!# peak 247-----------------------------------------------
assi (attr store1 < 7.534 and attr store1 > 7.434)
    ((attr store1 < 7.754 and attr store1 > 7.654)
     and bondedto (attr store1 < 123.139 and attr store1 > 122.139))
6 6 0 peak 247 volume 8348166 hpm1 122.639 ppm1 7.704 ppm2 7.484
!# peak 248-----------------------------------------------
assi (attr store1 < 7.256 and attr store1 > 7.156)
    ((attr store1 < 8.598 and attr store1 > 8.498)
     and bondedto (attr store1 < 123.16 and attr store1 > 122.16))
6 6 0 peak 248 volume 2477740 hpm1 122.66 ppm1 8.548 ppm2 7.206
!# peak 249-----------------------------------------------
assi (attr store1 < 7.208 and attr store1 > 7.108)
    ((attr store1 < 8.258 and attr store1 > 8.158)
     and bondedto (attr store1 < 123.104 and attr store1 > 122.104))
6 6 0 peak 249 volume 23237410 hpm1 122.604 ppm1 8.208 ppm2 7.158
!# peak 250-----------------------------------------------
assi (attr store1 < 7.042 and attr store1 > 6.942)
    ((attr store1 < 8.590 and attr store1 > 8.490)
     and bondedto (attr store1 < 123.171 and attr store1 > 122.171))
6 6 0 peak 250 volume 1628332 hpm1 122.671 ppm1 8.540 ppm2 6.992
!# peak 251-----------------------------------------------
assi (attr store1 < 6.608 and attr store1 > 6.508)
    ((attr store1 < 8.258 and attr store1 > 8.158)
     and bondedto (attr store1 < 123.092 and attr store1 > 122.092))
6 6 0 peak 251 volume 1630759 hpm1 122.592 ppm1 8.208 ppm2 6.558
!# peak 252-----------------------------------------------
assi (attr store1 < 5.138 and attr store1 > 5.038)
    ((attr store1 < 7.755 and attr store1 > 7.655)
     and bondedto (attr store1 < 123.142 and attr store1 > 122.142))
6 6 0 peak 252 volume 1489739 hpm1 122.642 ppm1 7.705 ppm2 5.088
!# peak 253-----------------------------------------------
assi (attr store1 < 5.051 and attr store1 > 4.951)
    ((attr store1 < 8.257 and attr store1 > 8.157)
     and bondedto (attr store1 < 123.142 and attr store1 > 122.142))
6 6 0 peak 253 volume 0.8740293e+06 hpm1 122.642 ppm1 8.207 ppm2 5.001
!# peak 256-----------------------------------------------
assi (attr store1 < 4.586 and attr store1 > 4.486)
    ((attr store1 < 7.754 and attr store1 > 7.654)
     and bondedto (attr store1 < 123.135 and attr store1 > 122.135))
6 6 0 peak 256 volume 12832759 hpm1 122.635 ppm1 7.704 ppm2 4.536
!# peak 257-----------------------------------------------
assi (attr store1 < 4.451 and attr store1 > 4.351)
    ((attr store1 < 8.259 and attr store1 > 8.159)
     and bondedto (attr store1 < 123.102 and attr store1 > 122.102))
6 6 0 peak 257 volume 13484330 hpm1 122.602 ppm1 8.209 ppm2 4.401
!# peak 259-----------------------------------------------
assi (attr store1 < 4.329 and attr store1 > 4.229)
    ((attr store1 < 8.595 and attr store1 > 8.495)
     and bondedto (attr store1 < 123.163 and attr store1 > 122.163))
6 6 0 peak 259 volume 13060661 hpm1 122.663 ppm1 8.545 ppm2 4.279
!# peak 260-----------------------------------------------
assi (attr store1 < 4.144 and attr store1 > 4.044)
    ((attr store1 < 8.597 and attr store1 > 8.497)
     and bondedto (attr store1 < 123.146 and attr store1 > 122.146))
6 6 0 peak 260 volume 4256919 hpm1 122.646 ppm1 8.547 ppm2 4.094
!# peak 261-----------------------------------------------
assi (attr store1 < 4.141 and attr store1 > 4.041)
    ((attr store1 < 7.754 and attr store1 > 7.654)
     and bondedto (attr store1 < 123.122 and attr store1 > 122.122))
6 6 0 peak 261 volume 5593619 hpm1 122.622 ppm1 7.704 ppm2 4.091
!# peak 262-----------------------------------------------
assi (attr store1 < 3.266 and attr store1 > 3.166)
    ((attr store1 < 8.596 and attr store1 > 8.496)
     and bondedto (attr store1 < 123.097 and attr store1 > 122.097))
6 6 0 peak 262 volume 12076130 hpm1 122.597 ppm1 8.546 ppm2 3.216
!# peak 263-----------------------------------------------
assi (attr store1 < 3.914 and attr store1 > 3.814)
    ((attr store1 < 8.595 and attr store1 > 8.495)
     and bondedto (attr store1 < 123.168 and attr store1 > 122.168))
6 6 0 peak 263 volume 13573921 hpm1 122.668 ppm1 8.545 ppm2 3.864
!# peak 264-----------------------------------------------
assi (attr store1 < 3.691 and attr store1 > 3.591)
    ((attr store1 < 8.597 and attr store1 > 8.497)
     and bondedto (attr store1 < 123.163 and attr store1 > 122.163))
6 6 0 peak 264 volume 3386248 hpm1 122.663 ppm1 8.547 ppm2 3.641
!# peak 265-----------------------------------------------
assi (attr store1 < 3.249 and attr store1 > 3.149)
    ((attr store1 < 8.253 and attr store1 > 8.153)
     and bondedto (attr store1 < 123.107 and attr store1 > 122.107))
6 6 0 peak 265 volume 3075749 hpm1 122.607 ppm1 8.203 ppm2 3.199
!# peak 266-----------------------------------------------
assi (attr store1 < 3.422 and attr store1 > 3.322)
    ((attr store1 < 8.596 and attr store1 > 8.496)
     and bondedto (attr store1 < 123.165 and attr store1 > 122.165))
6 6 0 peak 266 volume 30001458 hpm1 122.665 ppm1 8.546 ppm2 3.372
!# peak 267-----------------------------------------------
assi (attr store1 < 3.066 and attr store1 > 2.966)
    ((attr store1 < 8.258 and attr store1 > 8.158)
     and bondedto (attr store1 < 123.107 and attr store1 > 122.107))
6 6 0 peak 267 volume 16374961 hpm1 122.607 ppm1 8.208 ppm2 3.016
!# peak 268-----------------------------------------------
assi (attr store1 < 2.609 and attr store1 > 2.509)
    ((attr store1 < 8.595 and attr store1 > 8.495)
     and bondedto (attr store1 < 123.167 and attr store1 > 122.167))
6 6 0 peak 268 volume 26835710 hpm1 122.667 ppm1 8.545 ppm2 2.559
!# peak 269-----------------------------------------------
assi (attr store1 < 1.492 and attr store1 > 1.392)
    ((attr store1 < 8.596 and attr store1 > 8.496)
     and bondedto (attr store1 < 123.110 and attr store1 > 122.110))
6 6 0 peak 269 volume 1926271 hpm1 122.610 ppm1 8.546 ppm2 1.442
!# peak 270-----------------------------------------------
assi (attr store1 < 2.424 and attr store1 > 2.324)
    ((attr store1 < 7.754 and attr store1 > 7.654)
     and bondedto (attr store1 < 123.134 and attr store1 > 122.134))
6 6 0 peak 270 volume 20324270 hpm1 122.634 ppm1 7.704 ppm2 2.374
!# peak 271-----------------------------------------------
assi (attr store1 < 2.264 and attr store1 > 2.164)
    ((attr store1 < 8.601 and attr store1 > 8.501)
     and bondedto (attr store1 < 123.103 and attr store1 > 122.103))
6 6 0 peak 271 volume 22906160 hpm1 122.603 ppm1 8.551 ppm2 2.214
!# peak 272-----------------------------------------------
assi (attr store1 < 2.067 and attr store1 > 1.967)
    ((attr store1 < 8.595 and attr store1 > 8.495)
     and bondedto (attr store1 < 123.170 and attr store1 > 122.170))
6 6 0 peak 272 volume 31831500 hpm1 122.670 ppm1 8.545 ppm2 2.017
!# peak 274-----------------------------------------------
assi (attr store1 < 1.802 and attr store1 > 1.702)
    ((attr store1 < 8.594 and attr store1 > 8.494)
     and bondedto (attr store1 < 123.170 and attr store1 > 122.170))
6 6 0 peak 274 volume 4185051 hpm1 122.670 ppm1 8.544 ppm2 1.752
!# peak 275-----------------------------------------------
assi (attr store1 < 0.816 and attr store1 > 0.716)
    ((attr store1 < 8.254 and attr store1 > 8.154)
     and bondedto (attr store1 < 123.109 and attr store1 > 122.109))
6 6 0 peak 275 volume 4190726 hpm1 122.609 ppm1 8.204 ppm2 0.766
!# peak 276-----------------------------------------------
assi (attr store1 < 1.358 and attr store1 > 1.258)
    ((attr store1 < 8.594 and attr store1 > 8.494)
     and bondedto (attr store1 < 123.150 and attr store1 > 122.150))
6 6 0 peak 276 volume 3103450 hpm1 122.650 ppm1 8.544 ppm2 1.308
!# peak 277-----------------------------------------------
assi (attr store1 < 1.31 and attr store1 > 1.21)
    ((attr store1 < 8.259 and attr store1 > 8.159)
     and bondedto (attr store1 < 123.105 and attr store1 > 122.105))
6 6 0 peak 277 volume 13209960 hpm1 122.605 ppm1 8.209 ppm2 1.26
!# peak 278-----------------------------------------------
assi (attr store1 < 1.309 and attr store1 > 1.209)
    ((attr store1 < 7.755 and attr store1 > 7.655)
     and bondedto (attr store1 < 123.159 and attr store1 > 122.159))
6 6 0 peak 278 volume 1835013 hpm1 122.659 ppm1 7.705 ppm2 1.259
!# peak 279-----------------------------------------------
assi (attr store1 < 1.035 and attr store1 > 0.935)
    ((attr store1 < 8.597 and attr store1 > 8.497)
     and bondedto (attr store1 < 123.151 and attr store1 > 122.151))
6 6 0 peak 279 volume 2023379 hpm1 122.651 ppm1 8.547 ppm2 0.985
!# peak 280-----------------------------------------------
assi (attr store1 < 0.847 and attr store1 > 0.747)
    ((attr store1 < 8.593 and attr store1 > 8.493)
     and bondedto (attr store1 < 123.160 and attr store1 > 122.160))
6 6 0 peak 280 volume 2903501 hpm1 122.660 ppm1 8.543 ppm2 0.797
!# peak 281-----------------------------------------------
assi (attr store1 < 0.699 and attr store1 > 0.599)
    ((attr store1 < 8.248 and attr store1 > 8.148)
     and bondedto (attr store1 < 123.087 and attr store1 > 122.087))
6 6 0 peak 281 volume 4326032 hpm1 122.587 ppm1 8.198 ppm2 0.649
!# peak 282-----------------------------------------------
assi (attr store1 < 0.542 and attr store1 > 0.442)
    ((attr store1 < 8.596 and attr store1 > 8.496)
     and bondedto (attr store1 < 123.160 and attr store1 > 122.160))
6 6 0 peak 282 volume 6592954 hpm1 122.660 ppm1 8.546 ppm2 0.492
!# peak 286-----------------------------------------------
assi (attr store1 < 7.881 and attr store1 > 7.781)
    ((attr store1 < 9.045 and attr store1 > 8.945)
     and bondedto (attr store1 < 122.709 and attr store1 > 121.709))
6 6 0 peak 286 volume 23535890 hpm1 122.209 ppm1 8.995 ppm2 7.831
!# peak 287-----------------------------------------------
assi (attr store1 < 7.648 and attr store1 > 7.548)
    ((attr store1 < 9.044 and attr store1 > 8.944)
     and bondedto (attr store1 < 122.708 and attr store1 > 121.708))
6 6 0 peak 287 volume 2023381 hpm1 122.208 ppm1 8.994 ppm2 7.598
!# peak 288-----------------------------------------------
assi (attr store1 < 7.421 and attr store1 > 7.321)
    ((attr store1 < 9.048 and attr store1 > 8.948)
     and bondedto (attr store1 < 122.701 and attr store1 > 121.701))
6 6 0 peak 288 volume 2702980 hpm1 122.201 ppm1 8.998 ppm2 7.371
!# peak 290-----------------------------------------------
assi (attr store1 < 4.608 and attr store1 > 4.508)
    ((attr store1 < 9.045 and attr store1 > 8.945)
     and bondedto (attr store1 < 122.720 and attr store1 > 121.720))
6 6 0 peak 290 volume 4142363 hpm1 122.220 ppm1 8.995 ppm2 4.558
!# peak 291-----------------------------------------------
assi (attr store1 < 4.282 and attr store1 > 4.182)
    ((attr store1 < 8.384 and attr store1 > 8.284)
     and bondedto (attr store1 < 122.790 and attr store1 > 121.790))
6 6 0 peak 291 volume 7639068 hpm1 122.290 ppm1 8.334 ppm2 4.232
!# peak 292-----------------------------------------------
assi (attr store1 < 4.188 and attr store1 > 4.088)
    ((attr store1 < 9.045 and attr store1 > 8.945)
     and bondedto (attr store1 < 122.708 and attr store1 > 121.708))
6 6 0 peak 292 volume 20288060 hpm1 122.208 ppm1 8.995 ppm2 4.138
!# peak 293-----------------------------------------------
assi (attr store1 < 3.878 and attr store1 > 3.778)
    ((attr store1 < 9.046 and attr store1 > 8.946)
     and bondedto (attr store1 < 122.693 and attr store1 > 121.693))
6 6 0 peak 293 volume 1143529 hpm1 122.193 ppm1 8.996 ppm2 3.828
!# peak 294-----------------------------------------------
assi (attr store1 < 4.087 and attr store1 > 3.987)
    ((attr store1 < 9.042 and attr store1 > 8.942)
     and bondedto (attr store1 < 122.703 and attr store1 > 121.703))
6 6 0 peak 294 volume 15427040 hpm1 122.203 ppm1 8.992 ppm2 4.037
!# peak 295-----------------------------------------------
assi (attr store1 < 2.71 and attr store1 > 2.61)
    ((attr store1 < 9.045 and attr store1 > 8.945)
     and bondedto (attr store1 < 122.681 and attr store1 > 121.681))
6 6 0 peak 295 volume 1220049 hpm1 122.181 ppm1 8.995 ppm2 2.66
!# peak 296-----------------------------------------------
assi (attr store1 < 3.076 and attr store1 > 2.976)
    ((attr store1 < 9.028 and attr store1 > 8.928)
     and bondedto (attr store1 < 122.73 and attr store1 > 121.73))
6 6 0 peak 296 volume 1914421 hpm1 122.23 ppm1 8.978 ppm2 3.026
!# peak 297-----------------------------------------------
assi (attr store1 < 2.833 and attr store1 > 2.733)
    ((attr store1 < 9.046 and attr store1 > 8.946)
     and bondedto (attr store1 < 122.732 and attr store1 > 121.732))
6 6 0 peak 297 volume 2634220 hpm1 122.232 ppm1 8.996 ppm2 2.783
!# peak 298-----------------------------------------------
assi (attr store1 < 2.374 and attr store1 > 2.274)
    ((attr store1 < 9.044 and attr store1 > 8.944)
     and bondedto (attr store1 < 122.703 and attr store1 > 121.703))
6 6 0 peak 298 volume 0.613561e+07 hpm1 122.203 ppm1 8.994 ppm2 2.324
!# peak 299-----------------------------------------------
assi (attr store1 < 2.26 and attr store1 > 2.16)
    ((attr store1 < 8.386 and attr store1 > 8.286)
     and bondedto (attr store1 < 122.820 and attr store1 > 121.820))
6 6 0 peak 299 volume 1316865 hpm1 122.320 ppm1 8.336 ppm2 2.21
!# peak 300-----------------------------------------------
assi (attr store1 < 2.072 and attr store1 > 1.972)
    ((attr store1 < 9.045 and attr store1 > 8.945)
     and bondedto (attr store1 < 122.701 and attr store1 > 121.701))
6 6 0 peak 300 volume 50938736 hpm1 122.201 ppm1 8.995 ppm2 2.022
!# peak 301-----------------------------------------------
assi (attr store1 < 1.981 and attr store1 > 1.881)
    ((attr store1 < 8.385 and attr store1 > 8.285)
     and bondedto (attr store1 < 122.755 and attr store1 > 121.755))
6 6 0 peak 301 volume 8415482 hpm1 122.255 ppm1 8.335 ppm2 1.931
!# peak 302-----------------------------------------------
assi (attr store1 < 1.787 and attr store1 > 1.687)
    ((attr store1 < 9.044 and attr store1 > 8.944)
     and bondedto (attr store1 < 122.702 and attr store1 > 121.702))
6 6 0 peak 302 volume 37855340 hpm1 122.202 ppm1 8.994 ppm2 1.737
!# peak 303-----------------------------------------------
assi (attr store1 < 1.361 and attr store1 > 1.261)
    ((attr store1 < 9.045 and attr store1 > 8.945)
     and bondedto (attr store1 < 122.711 and attr store1 > 121.711))
6 6 0 peak 303 volume 29234158 hpm1 122.211 ppm1 8.995 ppm2 1.311
!# peak 304-----------------------------------------------
assi (attr store1 < 1.158 and attr store1 > 1.058)
    ((attr store1 < 9.044 and attr store1 > 8.944)
     and bondedto (attr store1 < 122.703 and attr store1 > 121.703))
6 6 0 peak 304 volume 26477968 hpm1 122.203 ppm1 8.994 ppm2 1.108
!# peak 306-----------------------------------------------
assi (attr store1 < 8.356 and attr store1 > 8.256)
    ((attr store1 < 7.893 and attr store1 > 7.793)
     and bondedto (attr store1 < 122.351 and attr store1 > 121.351))
6 6 0 peak 306 volume 3209776 hpm1 121.851 ppm1 7.843 ppm2 8.306
!# peak 308-----------------------------------------------
assi (attr store1 < 4.448 and attr store1 > 4.348)
    ((attr store1 < 8.409 and attr store1 > 8.309)
     and bondedto (attr store1 < 122.379 and attr store1 > 121.379))
6 6 0 peak 308 volume 0.2675194e+07 hpm1 121.879 ppm1 8.359 ppm2 4.398
!# peak 310-----------------------------------------------
assi (attr store1 < 7.88 and attr store1 > 7.78)
    ((attr store1 < 8.321 and attr store1 > 8.221)
     and bondedto (attr store1 < 122.200 and attr store1 > 121.200))
6 6 0 peak 310 volume 13450330 hpm1 121.700 ppm1 8.271 ppm2 7.83
!# peak 311-----------------------------------------------
assi (attr store1 < 7.248 and attr store1 > 7.148)
    ((attr store1 < 8.323 and attr store1 > 8.223)
     and bondedto (attr store1 < 122.180 and attr store1 > 121.180))
6 6 0 peak 311 volume 2715920 hpm1 121.680 ppm1 8.273 ppm2 7.198
!# peak 313-----------------------------------------------
assi (attr store1 < 6.839 and attr store1 > 6.739)
    ((attr store1 < 8.320 and attr store1 > 8.220)
     and bondedto (attr store1 < 122.200 and attr store1 > 121.200))
6 6 0 peak 313 volume 22635940 hpm1 121.700 ppm1 8.270 ppm2 6.789
!# peak 316-----------------------------------------------
assi (attr store1 < 4.354 and attr store1 > 4.254)
    ((attr store1 < 7.883 and attr store1 > 7.783)
     and bondedto (attr store1 < 122.264 and attr store1 > 121.264))
6 6 0 peak 316 volume 27694852 hpm1 121.764 ppm1 7.833 ppm2 4.304
!# peak 317-----------------------------------------------
assi (attr store1 < 4.274 and attr store1 > 4.174)
    ((attr store1 < 8.271 and attr store1 > 8.171)
     and bondedto (attr store1 < 122.163 and attr store1 > 121.163))
6 6 0 peak 317 volume 21824190 hpm1 121.663 ppm1 8.221 ppm2 4.224
!# peak 318-----------------------------------------------
assi (attr store1 < 4.101 and attr store1 > 4.001)
    ((attr store1 < 7.882 and attr store1 > 7.782)
     and bondedto (attr store1 < 122.243 and attr store1 > 121.243))
6 6 0 peak 318 volume 7421024 hpm1 121.743 ppm1 7.832 ppm2 4.051
!# peak 319-----------------------------------------------
assi (attr store1 < 4.044 and attr store1 > 3.944)
    ((attr store1 < 8.321 and attr store1 > 8.221)
     and bondedto (attr store1 < 122.200 and attr store1 > 121.200))
6 6 0 peak 319 volume 7871459 hpm1 121.700 ppm1 8.271 ppm2 3.994
!# peak 320-----------------------------------------------
assi (attr store1 < 3.754 and attr store1 > 3.654)
    ((attr store1 < 8.320 and attr store1 > 8.220)
     and bondedto (attr store1 < 122.257 and attr store1 > 121.257))
6 6 0 peak 320 volume 2313351 hpm1 121.757 ppm1 8.270 ppm2 3.704
!# peak 321-----------------------------------------------
assi (attr store1 < 3.522 and attr store1 > 3.422)
    ((attr store1 < 8.321 and attr store1 > 8.221)
     and bondedto (attr store1 < 122.199 and attr store1 > 121.199))
6 6 0 peak 321 volume 16046000 hpm1 121.699 ppm1 8.271 ppm2 3.472
!# peak 322-----------------------------------------------
assi (attr store1 < 3.247 and attr store1 > 3.147)
    ((attr store1 < 8.317 and attr store1 > 8.217)
     and bondedto (attr store1 < 122.171 and attr store1 > 121.171))
6 6 0 peak 322 volume 2392331 hpm1 121.671 ppm1 8.267 ppm2 3.197
!# peak 323-----------------------------------------------
assi (attr store1 < 2.941 and attr store1 > 2.841)
    ((attr store1 < 8.320 and attr store1 > 8.220)
     and bondedto (attr store1 < 122.201 and attr store1 > 121.201))
6 6 0 peak 323 volume 8020850 hpm1 121.701 ppm1 8.270 ppm2 2.891
!# peak 324-----------------------------------------------
assi (attr store1 < 1.025 and attr store1 > 0.925)
    ((attr store1 < 8.320 and attr store1 > 8.220)
     and bondedto (attr store1 < 122.207 and attr store1 > 121.207))
6 6 0 peak 324 volume 4276720 hpm1 121.707 ppm1 8.270 ppm2 0.975
!# peak 325-----------------------------------------------
assi (attr store1 < 1.773 and attr store1 > 1.673)
    ((attr store1 < 8.316 and attr store1 > 8.216)
     and bondedto (attr store1 < 122.193 and attr store1 > 121.193))
6 6 0 peak 325 volume 50431840 hpm1 121.693 ppm1 8.266 ppm2 1.723
!# peak 326-----------------------------------------------
assi (attr store1 < 1.404 and attr store1 > 1.304)
    ((attr store1 < 8.319 and attr store1 > 8.219)
     and bondedto (attr store1 < 122.204 and attr store1 > 121.204))
6 6 0 peak 326 volume 13259371 hpm1 121.704 ppm1 8.269 ppm2 1.354
!# peak 327-----------------------------------------------
assi (attr store1 < 0.907 and attr store1 > 0.807)
    ((attr store1 < 8.320 and attr store1 > 8.220)
     and bondedto (attr store1 < 122.212 and attr store1 > 121.212))
6 6 0 peak 327 volume 10529660 hpm1 121.712 ppm1 8.270 ppm2 0.857
!# peak 328-----------------------------------------------
assi (attr store1 < 0.846 and attr store1 > 0.746)
    ((attr store1 < 7.883 and attr store1 > 7.783)
     and bondedto (attr store1 < 122.262 and attr store1 > 121.262))
6 6 0 peak 328 volume 13818599 hpm1 121.762 ppm1 7.833 ppm2 0.796
!# peak 329-----------------------------------------------
assi (attr store1 < 1.852 and attr store1 > 1.752)
    ((attr store1 < 7.882 and attr store1 > 7.782)
     and bondedto (attr store1 < 122.204 and attr store1 > 121.204))
6 6 0 peak 329 volume 50933360 hpm1 121.704 ppm1 7.832 ppm2 1.802
!# peak 330-----------------------------------------------
assi (attr store1 < 1.623 and attr store1 > 1.523)
    ((attr store1 < 7.877 and attr store1 > 7.777)
     and bondedto (attr store1 < 122.200 and attr store1 > 121.200))
6 6 0 peak 330 volume 15555100 hpm1 121.700 ppm1 7.827 ppm2 1.573
!# peak 335-----------------------------------------------
assi (attr store1 < 4.05 and attr store1 > 3.95)
    ((attr store1 < 9.207 and attr store1 > 9.107)
     and bondedto (attr store1 < 121.993 and attr store1 > 120.993))
6 6 0 peak 335 volume 1901181 hpm1 121.493 ppm1 9.157 ppm2 4
!# peak 336-----------------------------------------------
assi (attr store1 < 1.925 and attr store1 > 1.825)
    ((attr store1 < 9.209 and attr store1 > 9.109)
     and bondedto (attr store1 < 122.018 and attr store1 > 121.018))
6 6 0 peak 336 volume 6688206 hpm1 121.518 ppm1 9.159 ppm2 1.875
!# peak 337-----------------------------------------------
assi (attr store1 < 1.436 and attr store1 > 1.336)
    ((attr store1 < 9.208 and attr store1 > 9.108)
     and bondedto (attr store1 < 121.998 and attr store1 > 120.998))
6 6 0 peak 337 volume 0.2773125e+07 hpm1 121.498 ppm1 9.158 ppm2 1.386
!# peak 338-----------------------------------------------
assi (attr store1 < 0.815 and attr store1 > 0.715)
    ((attr store1 < 9.207 and attr store1 > 9.107)
     and bondedto (attr store1 < 121.978 and attr store1 > 120.978))
6 6 0 peak 338 volume 1438598 hpm1 121.478 ppm1 9.157 ppm2 0.765
!# peak 339-----------------------------------------------
assi (attr store1 < 9.072 and attr store1 > 8.972)
    ((attr store1 < 7.830 and attr store1 > 7.730)
     and bondedto (attr store1 < 121.798 and attr store1 > 120.798))
6 6 0 peak 339 volume 4422542 hpm1 121.298 ppm1 7.780 ppm2 9.022
!# peak 340-----------------------------------------------
assi (attr store1 < 8.736 and attr store1 > 8.636)
    ((attr store1 < 7.826 and attr store1 > 7.726)
     and bondedto (attr store1 < 121.796 and attr store1 > 120.796))
6 6 0 peak 340 volume 12626250 hpm1 121.296 ppm1 7.776 ppm2 8.686
!# peak 341-----------------------------------------------
assi (attr store1 < 8.233 and attr store1 > 8.133)
    ((attr store1 < 7.867 and attr store1 > 7.767)
     and bondedto (attr store1 < 121.792 and attr store1 > 120.792))
6 6 0 peak 341 volume 14044110 hpm1 121.292 ppm1 7.817 ppm2 8.183
!# peak 343-----------------------------------------------
assi (attr store1 < 7.558 and attr store1 > 7.458)
    ((attr store1 < 7.822 and attr store1 > 7.722)
     and bondedto (attr store1 < 121.777 and attr store1 > 120.777))
6 6 0 peak 343 volume 0.5970216e+06 hpm1 121.277 ppm1 7.772 ppm2 7.508
!# peak 344-----------------------------------------------
assi (attr store1 < 4.609 and attr store1 > 4.509)
    ((attr store1 < 7.827 and attr store1 > 7.727)
     and bondedto (attr store1 < 121.788 and attr store1 > 120.788))
6 6 0 peak 344 volume 24300350 hpm1 121.288 ppm1 7.777 ppm2 4.559
!# peak 345-----------------------------------------------
assi (attr store1 < 3.879 and attr store1 > 3.779)
    ((attr store1 < 7.826 and attr store1 > 7.726)
     and bondedto (attr store1 < 121.794 and attr store1 > 120.794))
6 6 0 peak 345 volume 23724590 hpm1 121.294 ppm1 7.776 ppm2 3.829
!# peak 346-----------------------------------------------
assi (attr store1 < 3.645 and attr store1 > 3.545)
    ((attr store1 < 7.828 and attr store1 > 7.728)
     and bondedto (attr store1 < 121.789 and attr store1 > 120.789))
6 6 0 peak 346 volume 13776439 hpm1 121.289 ppm1 7.778 ppm2 3.595
!# peak 347-----------------------------------------------
assi (attr store1 < 3.423 and attr store1 > 3.323)
    ((attr store1 < 7.826 and attr store1 > 7.726)
     and bondedto (attr store1 < 121.790 and attr store1 > 120.790))
6 6 0 peak 347 volume 10192890 hpm1 121.290 ppm1 7.776 ppm2 3.373
!# peak 348-----------------------------------------------
assi (attr store1 < 1.761 and attr store1 > 1.661)
    ((attr store1 < 7.836 and attr store1 > 7.736)
     and bondedto (attr store1 < 121.801 and attr store1 > 120.801))
6 6 0 peak 348 volume 9687647 hpm1 121.301 ppm1 7.786 ppm2 1.711
!# peak 349-----------------------------------------------
assi (attr store1 < 2.176 and attr store1 > 2.076)
    ((attr store1 < 7.835 and attr store1 > 7.735)
     and bondedto (attr store1 < 121.795 and attr store1 > 120.795))
6 6 0 peak 349 volume 9225143 hpm1 121.295 ppm1 7.785 ppm2 2.126
!# peak 350-----------------------------------------------
assi (attr store1 < 1.322 and attr store1 > 1.222)
    ((attr store1 < 7.826 and attr store1 > 7.726)
     and bondedto (attr store1 < 121.823 and attr store1 > 120.823))
6 6 0 peak 350 volume 1647732 hpm1 121.323 ppm1 7.776 ppm2 1.272
!# peak 351-----------------------------------------------
assi (attr store1 < 1.973 and attr store1 > 1.873)
    ((attr store1 < 7.828 and attr store1 > 7.728)
     and bondedto (attr store1 < 121.788 and attr store1 > 120.788))
6 6 0 peak 351 volume 77279000 hpm1 121.288 ppm1 7.778 ppm2 1.923
!# peak 352-----------------------------------------------
assi (attr store1 < 1.61 and attr store1 > 1.51)
    ((attr store1 < 7.830 and attr store1 > 7.730)
     and bondedto (attr store1 < 121.791 and attr store1 > 120.791))
6 6 0 peak 352 volume 31433010 hpm1 121.291 ppm1 7.780 ppm2 1.56
!# peak 353-----------------------------------------------
assi (attr store1 < 1.507 and attr store1 > 1.407)
    ((attr store1 < 7.829 and attr store1 > 7.729)
     and bondedto (attr store1 < 121.778 and attr store1 > 120.778))
6 6 0 peak 353 volume 16231130 hpm1 121.278 ppm1 7.779 ppm2 1.457
!# peak 354-----------------------------------------------
assi (attr store1 < 1.177 and attr store1 > 1.077)
    ((attr store1 < 7.830 and attr store1 > 7.730)
     and bondedto (attr store1 < 121.778 and attr store1 > 120.778))
6 6 0 peak 354 volume 2141677 hpm1 121.278 ppm1 7.780 ppm2 1.127
!# peak 355-----------------------------------------------
assi (attr store1 < 9.188 and attr store1 > 9.088)
    ((attr store1 < 7.510 and attr store1 > 7.410)
     and bondedto (attr store1 < 121.682 and attr store1 > 120.682))
6 6 0 peak 355 volume 1871272 hpm1 121.182 ppm1 7.460 ppm2 9.138
!# peak 356-----------------------------------------------
assi (attr store1 < 8.113 and attr store1 > 8.013)
    ((attr store1 < 7.514 and attr store1 > 7.414)
     and bondedto (attr store1 < 121.668 and attr store1 > 120.668))
6 6 0 peak 356 volume 18272950 hpm1 121.168 ppm1 7.464 ppm2 8.063
!# peak 357-----------------------------------------------
assi (attr store1 < 7.788 and attr store1 > 7.688)
    ((attr store1 < 7.515 and attr store1 > 7.415)
     and bondedto (attr store1 < 121.657 and attr store1 > 120.657))
6 6 0 peak 357 volume 39921112 hpm1 121.157 ppm1 7.465 ppm2 7.738
!# peak 359-----------------------------------------------
assi (attr store1 < 7.904 and attr store1 > 7.804)
    ((attr store1 < 7.516 and attr store1 > 7.416)
     and bondedto (attr store1 < 121.661 and attr store1 > 120.661))
6 6 0 peak 359 volume 11541650 hpm1 121.161 ppm1 7.466 ppm2 7.854
!# peak 360-----------------------------------------------
assi (attr store1 < 5.625 and attr store1 > 5.525)
    ((attr store1 < 7.517 and attr store1 > 7.417)
     and bondedto (attr store1 < 121.650 and attr store1 > 120.650))
6 6 0 peak 360 volume 1966418 hpm1 121.150 ppm1 7.467 ppm2 5.575
!# peak 361-----------------------------------------------
assi (attr store1 < 5.134 and attr store1 > 5.034)
    ((attr store1 < 7.511 and attr store1 > 7.411)
     and bondedto (attr store1 < 121.675 and attr store1 > 120.675))
6 6 0 peak 361 volume 1378270 hpm1 121.175 ppm1 7.461 ppm2 5.084
!# peak 363-----------------------------------------------
assi (attr store1 < 4.586 and attr store1 > 4.486)
    ((attr store1 < 7.514 and attr store1 > 7.414)
     and bondedto (attr store1 < 121.670 and attr store1 > 120.670))
6 6 0 peak 363 volume 14647160 hpm1 121.170 ppm1 7.464 ppm2 4.536
!# peak 364-----------------------------------------------
assi (attr store1 < 4.375 and attr store1 > 4.275)
    ((attr store1 < 7.511 and attr store1 > 7.411)
     and bondedto (attr store1 < 121.702 and attr store1 > 120.702))
6 6 0 peak 364 volume 2074187 hpm1 121.202 ppm1 7.461 ppm2 4.325
!# peak 365-----------------------------------------------
assi (attr store1 < 4.143 and attr store1 > 4.043)
    ((attr store1 < 7.515 and attr store1 > 7.415)
     and bondedto (attr store1 < 121.662 and attr store1 > 120.662))
6 6 0 peak 365 volume 16524130 hpm1 121.162 ppm1 7.465 ppm2 4.093
!# peak 366-----------------------------------------------
assi (attr store1 < 3.876 and attr store1 > 3.776)
    ((attr store1 < 7.516 and attr store1 > 7.416)
     and bondedto (attr store1 < 121.657 and attr store1 > 120.657))
6 6 0 peak 366 volume 1477007 hpm1 121.157 ppm1 7.466 ppm2 3.826
!# peak 367-----------------------------------------------
assi (attr store1 < 3.634 and attr store1 > 3.534)
    ((attr store1 < 7.514 and attr store1 > 7.414)
     and bondedto (attr store1 < 121.669 and attr store1 > 120.669))
6 6 0 peak 367 volume 7077806 hpm1 121.169 ppm1 7.464 ppm2 3.584
!# peak 368-----------------------------------------------
assi (attr store1 < 3.427 and attr store1 > 3.327)
    ((attr store1 < 7.514 and attr store1 > 7.414)
     and bondedto (attr store1 < 121.666 and attr store1 > 120.666))
6 6 0 peak 368 volume 21798830 hpm1 121.166 ppm1 7.464 ppm2 3.377
!# peak 369-----------------------------------------------
assi (attr store1 < 1.352 and attr store1 > 1.252)
    ((attr store1 < 7.513 and attr store1 > 7.413)
     and bondedto (attr store1 < 121.666 and attr store1 > 120.666))
6 6 0 peak 369 volume 5676298 hpm1 121.166 ppm1 7.463 ppm2 1.302
!# peak 370-----------------------------------------------
assi (attr store1 < 2.403 and attr store1 > 2.303)
    ((attr store1 < 7.514 and attr store1 > 7.414)
     and bondedto (attr store1 < 121.670 and attr store1 > 120.670))
6 6 0 peak 370 volume 26404110 hpm1 121.170 ppm1 7.464 ppm2 2.353
!# peak 371-----------------------------------------------
assi (attr store1 < 2.212 and attr store1 > 2.112)
    ((attr store1 < 7.514 and attr store1 > 7.414)
     and bondedto (attr store1 < 121.667 and attr store1 > 120.667))
6 6 0 peak 371 volume 18317220 hpm1 121.167 ppm1 7.464 ppm2 2.162
!# peak 372-----------------------------------------------
assi (attr store1 < 1.481 and attr store1 > 1.381)
    ((attr store1 < 7.515 and attr store1 > 7.415)
     and bondedto (attr store1 < 121.661 and attr store1 > 120.661))
6 6 0 peak 372 volume 6112204 hpm1 121.161 ppm1 7.465 ppm2 1.431
!# peak 373-----------------------------------------------
assi (attr store1 < 0.54 and attr store1 > 0.44)
    ((attr store1 < 7.513 and attr store1 > 7.413)
     and bondedto (attr store1 < 121.637 and attr store1 > 120.637))
6 6 0 peak 373 volume 1592848 hpm1 121.137 ppm1 7.463 ppm2 0.49
!# peak 374-----------------------------------------------
assi (attr store1 < 11.517 and attr store1 > 11.417)
    ((attr store1 < 7.514 and attr store1 > 7.414)
     and bondedto (attr store1 < 121.674 and attr store1 > 120.674))
6 6 0 peak 374 volume 8638687 hpm1 121.174 ppm1 7.464 ppm2 11.467
!# peak 377-----------------------------------------------
assi (attr store1 < 9.444 and attr store1 > 9.344)
    ((attr store1 < 7.365 and attr store1 > 7.265)
     and bondedto (attr store1 < 121.126 and attr store1 > 120.126))
6 6 0 peak 377 volume 4213049 hpm1 120.626 ppm1 7.315 ppm2 9.394
!# peak 378-----------------------------------------------
assi (attr store1 < 9.126 and attr store1 > 9.026)
    ((attr store1 < 7.933 and attr store1 > 7.833)
     and bondedto (attr store1 < 121.067 and attr store1 > 120.067))
6 6 0 peak 378 volume 17205070 hpm1 120.567 ppm1 7.883 ppm2 9.076
!# peak 379-----------------------------------------------
assi (attr store1 < 8.643 and attr store1 > 8.543)
    ((attr store1 < 7.934 and attr store1 > 7.834)
     and bondedto (attr store1 < 121.069 and attr store1 > 120.069))
6 6 0 peak 379 volume 36445268 hpm1 120.569 ppm1 7.884 ppm2 8.593
!# peak 380-----------------------------------------------
assi (attr store1 < 8.01 and attr store1 > 7.91)
    ((attr store1 < 8.377 and attr store1 > 8.277)
     and bondedto (attr store1 < 121.061 and attr store1 > 120.061))
6 6 0 peak 380 volume 4975224 hpm1 120.561 ppm1 8.327 ppm2 7.96
!# peak 382-----------------------------------------------
assi (attr store1 < 7.338 and attr store1 > 7.238)
    ((attr store1 < 7.935 and attr store1 > 7.835)
     and bondedto (attr store1 < 121.065 and attr store1 > 120.065))
6 6 0 peak 382 volume 6431915 hpm1 120.565 ppm1 7.885 ppm2 7.288
!# peak 384-----------------------------------------------
assi (attr store1 < 4.201 and attr store1 > 4.101)
    ((attr store1 < 7.367 and attr store1 > 7.267)
     and bondedto (attr store1 < 121.026 and attr store1 > 120.026))
6 6 0 peak 384 volume 10448660 hpm1 120.526 ppm1 7.317 ppm2 4.151
!# peak 385-----------------------------------------------
assi (attr store1 < 4.462 and attr store1 > 4.362)
    ((attr store1 < 7.365 and attr store1 > 7.265)
     and bondedto (attr store1 < 121.113 and attr store1 > 120.113))
6 6 0 peak 385 volume 27588410 hpm1 120.613 ppm1 7.315 ppm2 4.412
!# peak 386-----------------------------------------------
assi (attr store1 < 4.098 and attr store1 > 3.998)
    ((attr store1 < 7.365 and attr store1 > 7.265)
     and bondedto (attr store1 < 121.118 and attr store1 > 120.118))
6 6 0 peak 386 volume 9831487 hpm1 120.618 ppm1 7.315 ppm2 4.048
!# peak 387-----------------------------------------------
assi (attr store1 < 4.063 and attr store1 > 3.963)
    ((attr store1 < 7.934 and attr store1 > 7.834)
     and bondedto (attr store1 < 121.068 and attr store1 > 120.068))
6 6 0 peak 387 volume 42840960 hpm1 120.568 ppm1 7.884 ppm2 4.013
!# peak 388-----------------------------------------------
assi (attr store1 < 3.73 and attr store1 > 3.63)
    ((attr store1 < 7.936 and attr store1 > 7.836)
     and bondedto (attr store1 < 121.060 and attr store1 > 120.060))
6 6 0 peak 388 volume 41256020 hpm1 120.560 ppm1 7.886 ppm2 3.68
!# peak 389-----------------------------------------------
assi (attr store1 < 3.274 and attr store1 > 3.174)
    ((attr store1 < 7.934 and attr store1 > 7.834)
     and bondedto (attr store1 < 121.066 and attr store1 > 120.066))
6 6 0 peak 389 volume 44337020 hpm1 120.566 ppm1 7.884 ppm2 3.224
!# peak 390-----------------------------------------------
assi (attr store1 < 3.064 and attr store1 > 2.964)
    ((attr store1 < 7.365 and attr store1 > 7.265)
     and bondedto (attr store1 < 121.114 and attr store1 > 120.114))
6 6 0 peak 390 volume 27538640 hpm1 120.614 ppm1 7.315 ppm2 3.014
!# peak 391-----------------------------------------------
assi (attr store1 < 2.93 and attr store1 > 2.83)
    ((attr store1 < 7.950 and attr store1 > 7.850)
     and bondedto (attr store1 < 120.993 and attr store1 > 119.993))
6 6 0 peak 391 volume 3605626 hpm1 120.493 ppm1 7.900 ppm2 2.88
!# peak 392-----------------------------------------------
assi (attr store1 < 2.479 and attr store1 > 2.379)
    ((attr store1 < 7.369 and attr store1 > 7.269)
     and bondedto (attr store1 < 121.134 and attr store1 > 120.134))
6 6 0 peak 392 volume 40471320 hpm1 120.634 ppm1 7.319 ppm2 2.429
!# peak 393-----------------------------------------------
assi (attr store1 < 1.964 and attr store1 > 1.864)
    ((attr store1 < 7.920 and attr store1 > 7.820)
     and bondedto (attr store1 < 121.063 and attr store1 > 120.063))
6 6 0 peak 393 volume 54215788 hpm1 120.563 ppm1 7.870 ppm2 1.914
!# peak 394-----------------------------------------------
assi (attr store1 < 2.357 and attr store1 > 2.257)
    ((attr store1 < 7.365 and attr store1 > 7.265)
     and bondedto (attr store1 < 121.118 and attr store1 > 120.118))
6 6 0 peak 394 volume 66599916 hpm1 120.618 ppm1 7.315 ppm2 2.307
!# peak 395-----------------------------------------------
assi (attr store1 < 2.164 and attr store1 > 2.064)
    ((attr store1 < 7.934 and attr store1 > 7.834)
     and bondedto (attr store1 < 121.068 and attr store1 > 120.068))
6 6 0 peak 395 volume 18341450 hpm1 120.568 ppm1 7.884 ppm2 2.114
!# peak 396-----------------------------------------------
assi (attr store1 < 2.086 and attr store1 > 1.986)
    ((attr store1 < 7.366 and attr store1 > 7.266)
     and bondedto (attr store1 < 121.115 and attr store1 > 120.115))
6 6 0 peak 396 volume 26484880 hpm1 120.615 ppm1 7.316 ppm2 2.036
!# peak 397-----------------------------------------------
assi (attr store1 < 0.859 and attr store1 > 0.759)
    ((attr store1 < 7.933 and attr store1 > 7.833)
     and bondedto (attr store1 < 121.053 and attr store1 > 120.053))
6 6 0 peak 397 volume 16782080 hpm1 120.553 ppm1 7.883 ppm2 0.809
!# peak 398-----------------------------------------------
assi (attr store1 < 1.936 and attr store1 > 1.836)
    ((attr store1 < 7.365 and attr store1 > 7.265)
     and bondedto (attr store1 < 121.116 and attr store1 > 120.116))
6 6 0 peak 398 volume 28120772 hpm1 120.616 ppm1 7.315 ppm2 1.886
!# peak 399-----------------------------------------------
assi (attr store1 < 1.626 and attr store1 > 1.526)
    ((attr store1 < 7.365 and attr store1 > 7.265)
     and bondedto (attr store1 < 121.094 and attr store1 > 120.094))
6 6 0 peak 399 volume 4935133 hpm1 120.594 ppm1 7.315 ppm2 1.576
!# peak 400-----------------------------------------------
assi (attr store1 < 1.39 and attr store1 > 1.29)
    ((attr store1 < 7.365 and attr store1 > 7.265)
     and bondedto (attr store1 < 121.118 and attr store1 > 120.118))
6 6 0 peak 400 volume 5668710 hpm1 120.618 ppm1 7.315 ppm2 1.34
!# peak 401-----------------------------------------------
assi (attr store1 < 8.474 and attr store1 > 8.374)
    ((attr store1 < 7.969 and attr store1 > 7.869)
     and bondedto (attr store1 < 120.916 and attr store1 > 119.916))
6 6 0 peak 401 volume 23201310 hpm1 120.416 ppm1 7.919 ppm2 8.424
!# peak 402-----------------------------------------------
assi (attr store1 < 8.181 and attr store1 > 8.081)
    ((attr store1 < 7.082 and attr store1 > 6.982)
     and bondedto (attr store1 < 120.990 and attr store1 > 119.990))
6 6 0 peak 402 volume 30256140 hpm1 120.490 ppm1 7.032 ppm2 8.131
!# peak 404-----------------------------------------------
assi (attr store1 < 7.78 and attr store1 > 7.68)
    ((attr store1 < 7.076 and attr store1 > 6.976)
     and bondedto (attr store1 < 120.918 and attr store1 > 119.918))
6 6 0 peak 404 volume 2554005 hpm1 120.418 ppm1 7.026 ppm2 7.73
!# peak 405-----------------------------------------------
assi (attr store1 < 7.7 and attr store1 > 7.6)
    ((attr store1 < 7.970 and attr store1 > 7.870)
     and bondedto (attr store1 < 120.917 and attr store1 > 119.917))
6 6 0 peak 405 volume 17192450 hpm1 120.417 ppm1 7.920 ppm2 7.65
!# peak 407-----------------------------------------------
assi (attr store1 < 3.657 and attr store1 > 3.557)
    ((attr store1 < 7.824 and attr store1 > 7.724)
     and bondedto (attr store1 < 120.908 and attr store1 > 119.908))
6 6 0 peak 407 volume 2763520 hpm1 120.408 ppm1 7.774 ppm2 3.607
!# peak 409-----------------------------------------------
assi (attr store1 < 4.454 and attr store1 > 4.354)
    ((attr store1 < 7.078 and attr store1 > 6.978)
     and bondedto (attr store1 < 120.990 and attr store1 > 119.990))
6 6 0 peak 409 volume 6002820 hpm1 120.490 ppm1 7.028 ppm2 4.404
!# peak 410-----------------------------------------------
assi (attr store1 < 4.29 and attr store1 > 4.19)
    ((attr store1 < 7.081 and attr store1 > 6.981)
     and bondedto (attr store1 < 120.978 and attr store1 > 119.978))
6 6 0 peak 410 volume 5434914 hpm1 120.478 ppm1 7.031 ppm2 4.24
!# peak 411-----------------------------------------------
assi (attr store1 < 4.195 and attr store1 > 4.095)
    ((attr store1 < 7.969 and attr store1 > 7.869)
     and bondedto (attr store1 < 120.917 and attr store1 > 119.917))
6 6 0 peak 411 volume 46670520 hpm1 120.417 ppm1 7.919 ppm2 4.145
!# peak 412-----------------------------------------------
assi (attr store1 < 4.061 and attr store1 > 3.961)
    ((attr store1 < 7.086 and attr store1 > 6.986)
     and bondedto (attr store1 < 120.961 and attr store1 > 119.961))
6 6 0 peak 412 volume 2404662 hpm1 120.461 ppm1 7.036 ppm2 4.011
!# peak 413-----------------------------------------------
assi (attr store1 < 3.618 and attr store1 > 3.518)
    ((attr store1 < 7.081 and attr store1 > 6.981)
     and bondedto (attr store1 < 120.985 and attr store1 > 119.985))
6 6 0 peak 413 volume 13859551 hpm1 120.485 ppm1 7.031 ppm2 3.568
!# peak 414-----------------------------------------------
assi (attr store1 < 0.855 and attr store1 > 0.755)
    ((attr store1 < 7.082 and attr store1 > 6.982)
     and bondedto (attr store1 < 120.992 and attr store1 > 119.992))
6 6 0 peak 414 volume 6084340 hpm1 120.492 ppm1 7.032 ppm2 0.805
!# peak 415-----------------------------------------------
assi (attr store1 < 1.937 and attr store1 > 1.837)
    ((attr store1 < 7.968 and attr store1 > 7.868)
     and bondedto (attr store1 < 120.922 and attr store1 > 119.922))
6 6 0 peak 415 volume 109403200 hpm1 120.422 ppm1 7.918 ppm2 1.887
!# peak 416-----------------------------------------------
assi (attr store1 < 1.711 and attr store1 > 1.611)
    ((attr store1 < 7.083 and attr store1 > 6.983)
     and bondedto (attr store1 < 120.977 and attr store1 > 119.977))
6 6 0 peak 416 volume 34197060 hpm1 120.477 ppm1 7.033 ppm2 1.661
!# peak 417-----------------------------------------------
assi (attr store1 < 1.679 and attr store1 > 1.579)
    ((attr store1 < 7.970 and attr store1 > 7.870)
     and bondedto (attr store1 < 120.914 and attr store1 > 119.914))
6 6 0 peak 417 volume 57979828 hpm1 120.414 ppm1 7.920 ppm2 1.629
!# peak 418-----------------------------------------------
assi (attr store1 < 1.402 and attr store1 > 1.302)
    ((attr store1 < 7.083 and attr store1 > 6.983)
     and bondedto (attr store1 < 120.979 and attr store1 > 119.979))
6 6 0 peak 418 volume 16178940 hpm1 120.479 ppm1 7.033 ppm2 1.352
!# peak 419-----------------------------------------------
assi (attr store1 < 0.996 and attr store1 > 0.896)
    ((attr store1 < 7.968 and attr store1 > 7.868)
     and bondedto (attr store1 < 120.924 and attr store1 > 119.924))
6 6 0 peak 419 volume 36835832 hpm1 120.424 ppm1 7.918 ppm2 0.946
!# peak 420-----------------------------------------------
assi (attr store1 < 0.995 and attr store1 > 0.895)
    ((attr store1 < 7.085 and attr store1 > 6.985)
     and bondedto (attr store1 < 120.979 and attr store1 > 119.979))
6 6 0 peak 420 volume 11247090 hpm1 120.479 ppm1 7.035 ppm2 0.945
!# peak 421-----------------------------------------------
assi (attr store1 < 0.658 and attr store1 > 0.558)
    ((attr store1 < 7.081 and attr store1 > 6.981)
     and bondedto (attr store1 < 120.970 and attr store1 > 119.970))
6 6 0 peak 421 volume 6114551 hpm1 120.470 ppm1 7.031 ppm2 0.608
!# peak 422-----------------------------------------------
assi (attr store1 < 0.379 and attr store1 > 0.279)
    ((attr store1 < 7.081 and attr store1 > 6.981)
     and bondedto (attr store1 < 120.994 and attr store1 > 119.994))
6 6 0 peak 422 volume 7365639 hpm1 120.494 ppm1 7.031 ppm2 0.329
!# peak 423-----------------------------------------------
assi (attr store1 < 8.568 and attr store1 > 8.468)
    ((attr store1 < 7.819 and attr store1 > 7.719)
     and bondedto (attr store1 < 120.733 and attr store1 > 119.733))
6 6 0 peak 423 volume 0.3241622e+07 hpm1 120.233 ppm1 7.769 ppm2 8.518
!# peak 424-----------------------------------------------
assi (attr store1 < 8.329 and attr store1 > 8.229)
    ((attr store1 < 7.818 and attr store1 > 7.718)
     and bondedto (attr store1 < 120.733 and attr store1 > 119.733))
6 6 0 peak 424 volume 15159540 hpm1 120.233 ppm1 7.768 ppm2 8.279
!# peak 425-----------------------------------------------
assi (attr store1 < 8.108 and attr store1 > 8.008)
    ((attr store1 < 7.819 and attr store1 > 7.719)
     and bondedto (attr store1 < 120.730 and attr store1 > 119.730))
6 6 0 peak 425 volume 248092704 hpm1 120.230 ppm1 7.769 ppm2 8.058
!# peak 427-----------------------------------------------
assi (attr store1 < 7.421 and attr store1 > 7.321)
    ((attr store1 < 7.070 and attr store1 > 6.970)
     and bondedto (attr store1 < 120.743 and attr store1 > 119.743))
6 6 0 peak 427 volume 7644947 hpm1 120.243 ppm1 7.020 ppm2 7.371
!# peak 428-----------------------------------------------
assi (attr store1 < 7.123 and attr store1 > 7.023)
    ((attr store1 < 7.818 and attr store1 > 7.718)
     and bondedto (attr store1 < 120.740 and attr store1 > 119.740))
6 6 0 peak 428 volume 7028076 hpm1 120.240 ppm1 7.768 ppm2 7.073
!# peak 429-----------------------------------------------
assi (attr store1 < 6.939 and attr store1 > 6.839)
    ((attr store1 < 7.818 and attr store1 > 7.718)
     and bondedto (attr store1 < 120.725 and attr store1 > 119.725))
6 6 0 peak 429 volume 1700981 hpm1 120.225 ppm1 7.768 ppm2 6.889
!# peak 430-----------------------------------------------
assi (attr store1 < 4.202 and attr store1 > 4.102)
    ((attr store1 < 7.821 and attr store1 > 7.721)
     and bondedto (attr store1 < 120.731 and attr store1 > 119.731))
6 6 0 peak 430 volume 13856740 hpm1 120.231 ppm1 7.771 ppm2 4.152
!# peak 431-----------------------------------------------
assi (attr store1 < 3.381 and attr store1 > 3.281)
    ((attr store1 < 7.821 and attr store1 > 7.721)
     and bondedto (attr store1 < 120.732 and attr store1 > 119.732))
6 6 0 peak 431 volume 56474792 hpm1 120.232 ppm1 7.771 ppm2 3.331
!# peak 432-----------------------------------------------
assi (attr store1 < 4.321 and attr store1 > 4.221)
    ((attr store1 < 7.819 and attr store1 > 7.719)
     and bondedto (attr store1 < 120.738 and attr store1 > 119.738))
6 6 0 peak 432 volume 67719480 hpm1 120.238 ppm1 7.769 ppm2 4.271
!# peak 433-----------------------------------------------
assi (attr store1 < 3.916 and attr store1 > 3.816)
    ((attr store1 < 7.817 and attr store1 > 7.717)
     and bondedto (attr store1 < 120.734 and attr store1 > 119.734))
6 6 0 peak 433 volume 0.3657497e+07 hpm1 120.234 ppm1 7.767 ppm2 3.866
!# peak 434-----------------------------------------------
assi (attr store1 < 3.255 and attr store1 > 3.155)
    ((attr store1 < 7.819 and attr store1 > 7.719)
     and bondedto (attr store1 < 120.735 and attr store1 > 119.735))
6 6 0 peak 434 volume 102815096 hpm1 120.235 ppm1 7.769 ppm2 3.205
!# peak 435-----------------------------------------------
assi (attr store1 < 10.299 and attr store1 > 10.199)
    ((attr store1 < 7.529 and attr store1 > 7.429)
     and bondedto (attr store1 < 120.480 and attr store1 > 119.480))
6 6 0 peak 435 volume 1380566 hpm1 119.980 ppm1 7.479 ppm2 10.249
!# peak 436-----------------------------------------------
assi (attr store1 < 8.731 and attr store1 > 8.631)
    ((attr store1 < 7.523 and attr store1 > 7.423)
     and bondedto (attr store1 < 120.477 and attr store1 > 119.477))
6 6 0 peak 436 volume 6034991 hpm1 119.977 ppm1 7.473 ppm2 8.681
!# peak 438-----------------------------------------------
assi (attr store1 < 8.368 and attr store1 > 8.268)
    ((attr store1 < 7.663 and attr store1 > 7.563)
     and bondedto (attr store1 < 120.524 and attr store1 > 119.524))
6 6 0 peak 438 volume 6903748 hpm1 120.024 ppm1 7.613 ppm2 8.318
!# peak 439-----------------------------------------------
assi (attr store1 < 8.327 and attr store1 > 8.227)
    ((attr store1 < 8.540 and attr store1 > 8.440)
     and bondedto (attr store1 < 120.496 and attr store1 > 119.496))
6 6 0 peak 439 volume 14872929 hpm1 119.996 ppm1 8.490 ppm2 8.277
!# peak 440-----------------------------------------------
assi (attr store1 < 8.153 and attr store1 > 8.053)
    ((attr store1 < 8.540 and attr store1 > 8.440)
     and bondedto (attr store1 < 120.496 and attr store1 > 119.496))
6 6 0 peak 440 volume 14487541 hpm1 119.996 ppm1 8.490 ppm2 8.103
!# peak 441-----------------------------------------------
assi (attr store1 < 7.851 and attr store1 > 7.751)
    ((attr store1 < 8.540 and attr store1 > 8.440)
     and bondedto (attr store1 < 120.494 and attr store1 > 119.494))
6 6 0 peak 441 volume 11544270 hpm1 119.994 ppm1 8.490 ppm2 7.801
!# peak 442-----------------------------------------------
assi (attr store1 < 7.755 and attr store1 > 7.655)
    ((attr store1 < 7.522 and attr store1 > 7.422)
     and bondedto (attr store1 < 120.483 and attr store1 > 119.483))
6 6 0 peak 442 volume 203513808 hpm1 119.983 ppm1 7.472 ppm2 7.705
!# peak 445-----------------------------------------------
assi (attr store1 < 7.193 and attr store1 > 7.093)
    ((attr store1 < 7.523 and attr store1 > 7.423)
     and bondedto (attr store1 < 120.473 and attr store1 > 119.473))
6 6 0 peak 445 volume 2611400 hpm1 119.973 ppm1 7.473 ppm2 7.143
!# peak 446-----------------------------------------------
assi (attr store1 < 7.286 and attr store1 > 7.186)
    ((attr store1 < 8.538 and attr store1 > 8.438)
     and bondedto (attr store1 < 120.486 and attr store1 > 119.486))
6 6 0 peak 446 volume 2263974 hpm1 119.986 ppm1 8.488 ppm2 7.236
!# peak 447-----------------------------------------------
assi (attr store1 < 6.993 and attr store1 > 6.893)
    ((attr store1 < 8.540 and attr store1 > 8.440)
     and bondedto (attr store1 < 120.535 and attr store1 > 119.535))
6 6 0 peak 447 volume 0.1293877e+07 hpm1 120.035 ppm1 8.490 ppm2 6.943
!# peak 448-----------------------------------------------
assi (attr store1 < 6.395 and attr store1 > 6.295)
    ((attr store1 < 7.728 and attr store1 > 7.628)
     and bondedto (attr store1 < 120.487 and attr store1 > 119.487))
6 6 0 peak 448 volume 2316511 hpm1 119.987 ppm1 7.678 ppm2 6.345
!# peak 449-----------------------------------------------
assi (attr store1 < 6.396 and attr store1 > 6.296)
    ((attr store1 < 7.523 and attr store1 > 7.423)
     and bondedto (attr store1 < 120.484 and attr store1 > 119.484))
6 6 0 peak 449 volume 8412361 hpm1 119.984 ppm1 7.473 ppm2 6.346
!# peak 451-----------------------------------------------
assi (attr store1 < 4.467 and attr store1 > 4.367)
    ((attr store1 < 7.524 and attr store1 > 7.424)
     and bondedto (attr store1 < 120.481 and attr store1 > 119.481))
6 6 0 peak 451 volume 12286410 hpm1 119.981 ppm1 7.474 ppm2 4.417
!# peak 453-----------------------------------------------
assi (attr store1 < 4.588 and attr store1 > 4.488)
    ((attr store1 < 8.541 and attr store1 > 8.441)
     and bondedto (attr store1 < 120.500 and attr store1 > 119.500))
6 6 0 peak 453 volume 4673572 hpm1 120.000 ppm1 8.491 ppm2 4.538
!# peak 454-----------------------------------------------
assi (attr store1 < 4.603 and attr store1 > 4.503)
    ((attr store1 < 7.523 and attr store1 > 7.423)
     and bondedto (attr store1 < 120.480 and attr store1 > 119.480))
6 6 0 peak 454 volume 24115660 hpm1 119.980 ppm1 7.473 ppm2 4.553
!# peak 455-----------------------------------------------
assi (attr store1 < 4.463 and attr store1 > 4.363)
    ((attr store1 < 7.728 and attr store1 > 7.628)
     and bondedto (attr store1 < 120.497 and attr store1 > 119.497))
6 6 0 peak 455 volume 32008860 hpm1 119.997 ppm1 7.678 ppm2 4.413
!# peak 456-----------------------------------------------
assi (attr store1 < 4.052 and attr store1 > 3.952)
    ((attr store1 < 7.729 and attr store1 > 7.629)
     and bondedto (attr store1 < 120.532 and attr store1 > 119.532))
6 6 0 peak 456 volume 37102800 hpm1 120.032 ppm1 7.679 ppm2 4.002
!# peak 457-----------------------------------------------
assi (attr store1 < 4.08 and attr store1 > 3.98)
    ((attr store1 < 8.541 and attr store1 > 8.441)
     and bondedto (attr store1 < 120.499 and attr store1 > 119.499))
6 6 0 peak 457 volume 7635407 hpm1 119.999 ppm1 8.491 ppm2 4.03
!# peak 458-----------------------------------------------
assi (attr store1 < 3.886 and attr store1 > 3.786)
    ((attr store1 < 8.541 and attr store1 > 8.441)
     and bondedto (attr store1 < 120.491 and attr store1 > 119.491))
6 6 0 peak 458 volume 27344200 hpm1 119.991 ppm1 8.491 ppm2 3.836
!# peak 459-----------------------------------------------
assi (attr store1 < 3.878 and attr store1 > 3.778)
    ((attr store1 < 7.524 and attr store1 > 7.424)
     and bondedto (attr store1 < 120.479 and attr store1 > 119.479))
6 6 0 peak 459 volume 1795276 hpm1 119.979 ppm1 7.474 ppm2 3.828
!# peak 460-----------------------------------------------
assi (attr store1 < 3.698 and attr store1 > 3.598)
    ((attr store1 < 8.540 and attr store1 > 8.440)
     and bondedto (attr store1 < 120.496 and attr store1 > 119.496))
6 6 0 peak 460 volume 11225980 hpm1 119.996 ppm1 8.490 ppm2 3.648
!# peak 461-----------------------------------------------
assi (attr store1 < 3.635 and attr store1 > 3.535)
    ((attr store1 < 7.523 and attr store1 > 7.423)
     and bondedto (attr store1 < 120.478 and attr store1 > 119.478))
6 6 0 peak 461 volume 30551902 hpm1 119.978 ppm1 7.473 ppm2 3.585
!# peak 462-----------------------------------------------
assi (attr store1 < 3.574 and attr store1 > 3.474)
    ((attr store1 < 7.730 and attr store1 > 7.630)
     and bondedto (attr store1 < 120.496 and attr store1 > 119.496))
6 6 0 peak 462 volume 11863900 hpm1 119.996 ppm1 7.680 ppm2 3.524
!# peak 463-----------------------------------------------
assi (attr store1 < 3.476 and attr store1 > 3.376)
    ((attr store1 < 8.540 and attr store1 > 8.440)
     and bondedto (attr store1 < 120.494 and attr store1 > 119.494))
6 6 0 peak 463 volume 11168700 hpm1 119.994 ppm1 8.490 ppm2 3.426
!# peak 464-----------------------------------------------
assi (attr store1 < 3.388 and attr store1 > 3.288)
    ((attr store1 < 7.523 and attr store1 > 7.423)
     and bondedto (attr store1 < 120.480 and attr store1 > 119.480))
6 6 0 peak 464 volume 30297440 hpm1 119.980 ppm1 7.473 ppm2 3.338
!# peak 465-----------------------------------------------
assi (attr store1 < 3.25 and attr store1 > 3.15)
    ((attr store1 < 8.542 and attr store1 > 8.442)
     and bondedto (attr store1 < 120.495 and attr store1 > 119.495))
6 6 0 peak 465 volume 3291879 hpm1 119.995 ppm1 8.492 ppm2 3.2
!# peak 466-----------------------------------------------
assi (attr store1 < 2.867 and attr store1 > 2.767)
    ((attr store1 < 7.726 and attr store1 > 7.626)
     and bondedto (attr store1 < 120.483 and attr store1 > 119.483))
6 6 0 peak 466 volume 10293490 hpm1 119.983 ppm1 7.676 ppm2 2.817
!# peak 467-----------------------------------------------
assi (attr store1 < 2.83 and attr store1 > 2.73)
    ((attr store1 < 7.524 and attr store1 > 7.424)
     and bondedto (attr store1 < 120.495 and attr store1 > 119.495))
6 6 0 peak 467 volume 2906641 hpm1 119.995 ppm1 7.474 ppm2 2.78
!# peak 468-----------------------------------------------
assi (attr store1 < 1.996 and attr store1 > 1.896)
    ((attr store1 < 7.729 and attr store1 > 7.629)
     and bondedto (attr store1 < 120.480 and attr store1 > 119.480))
6 6 0 peak 468 volume 5286993 hpm1 119.980 ppm1 7.679 ppm2 1.946
!# peak 469-----------------------------------------------
assi (attr store1 < 1.836 and attr store1 > 1.736)
    ((attr store1 < 7.728 and attr store1 > 7.628)
     and bondedto (attr store1 < 120.488 and attr store1 > 119.488))
6 6 0 peak 469 volume 98916016 hpm1 119.988 ppm1 7.678 ppm2 1.786
!# peak 470-----------------------------------------------
assi (attr store1 < 1.837 and attr store1 > 1.737)
    ((attr store1 < 7.523 and attr store1 > 7.423)
     and bondedto (attr store1 < 120.486 and attr store1 > 119.486))
6 6 0 peak 470 volume 15277471 hpm1 119.986 ppm1 7.473 ppm2 1.787
!# peak 471-----------------------------------------------
assi (attr store1 < 1.765 and attr store1 > 1.665)
    ((attr store1 < 8.540 and attr store1 > 8.440)
     and bondedto (attr store1 < 120.489 and attr store1 > 119.489))
6 6 0 peak 471 volume 55838120 hpm1 119.989 ppm1 8.490 ppm2 1.715
!# peak 472-----------------------------------------------
assi (attr store1 < 1.434 and attr store1 > 1.334)
    ((attr store1 < 7.664 and attr store1 > 7.564)
     and bondedto (attr store1 < 120.495 and attr store1 > 119.495))
6 6 0 peak 472 volume 37229380 hpm1 119.995 ppm1 7.614 ppm2 1.384
!# peak 473-----------------------------------------------
assi (attr store1 < 1.449 and attr store1 > 1.349)
    ((attr store1 < 8.540 and attr store1 > 8.440)
     and bondedto (attr store1 < 120.493 and attr store1 > 119.493))
6 6 0 peak 473 volume 10411290 hpm1 119.993 ppm1 8.490 ppm2 1.399
!# peak 474-----------------------------------------------
assi (attr store1 < 1.443 and attr store1 > 1.343)
    ((attr store1 < 7.523 and attr store1 > 7.423)
     and bondedto (attr store1 < 120.481 and attr store1 > 119.481))
6 6 0 peak 474 volume 16412380 hpm1 119.981 ppm1 7.473 ppm2 1.393
!# peak 475-----------------------------------------------
assi (attr store1 < 1.106 and attr store1 > 1.006)
    ((attr store1 < 7.669 and attr store1 > 7.569)
     and bondedto (attr store1 < 120.495 and attr store1 > 119.495))
6 6 0 peak 475 volume 12158030 hpm1 119.995 ppm1 7.619 ppm2 1.056
!# peak 476-----------------------------------------------
assi (attr store1 < 1.21 and attr store1 > 1.11)
    ((attr store1 < 7.519 and attr store1 > 7.419)
     and bondedto (attr store1 < 120.504 and attr store1 > 119.504))
6 6 0 peak 476 volume 2338539 hpm1 120.004 ppm1 7.469 ppm2 1.16
!# peak 477-----------------------------------------------
assi (attr store1 < 1.009 and attr store1 > 0.909)
    ((attr store1 < 7.729 and attr store1 > 7.629)
     and bondedto (attr store1 < 120.485 and attr store1 > 119.485))
6 6 0 peak 477 volume 11403200 hpm1 119.985 ppm1 7.679 ppm2 0.959
!# peak 478-----------------------------------------------
assi (attr store1 < 1.006 and attr store1 > 0.906)
    ((attr store1 < 7.522 and attr store1 > 7.422)
     and bondedto (attr store1 < 120.473 and attr store1 > 119.473))
6 6 0 peak 478 volume 4261193 hpm1 119.973 ppm1 7.472 ppm2 0.956
!# peak 479-----------------------------------------------
assi (attr store1 < 0.867 and attr store1 > 0.767)
    ((attr store1 < 8.539 and attr store1 > 8.439)
     and bondedto (attr store1 < 120.498 and attr store1 > 119.498))
6 6 0 peak 479 volume 5985864 hpm1 119.998 ppm1 8.489 ppm2 0.817
!# peak 480-----------------------------------------------
assi (attr store1 < 0.808 and attr store1 > 0.708)
    ((attr store1 < 7.667 and attr store1 > 7.567)
     and bondedto (attr store1 < 120.530 and attr store1 > 119.530))
6 6 0 peak 480 volume 25955438 hpm1 120.030 ppm1 7.617 ppm2 0.758
!# peak 481-----------------------------------------------
assi (attr store1 < 0.821 and attr store1 > 0.721)
    ((attr store1 < 7.522 and attr store1 > 7.422)
     and bondedto (attr store1 < 120.489 and attr store1 > 119.489))
6 6 0 peak 481 volume 2695291 hpm1 119.989 ppm1 7.472 ppm2 0.771
!# peak 482-----------------------------------------------
assi (attr store1 < 0.637 and attr store1 > 0.537)
    ((attr store1 < 7.663 and attr store1 > 7.563)
     and bondedto (attr store1 < 120.531 and attr store1 > 119.531))
6 6 0 peak 482 volume 47602860 hpm1 120.031 ppm1 7.613 ppm2 0.587
!# peak 483-----------------------------------------------
assi (attr store1 < 0.591 and attr store1 > 0.491)
    ((attr store1 < 8.541 and attr store1 > 8.441)
     and bondedto (attr store1 < 120.496 and attr store1 > 119.496))
6 6 0 peak 483 volume 5210376 hpm1 119.996 ppm1 8.491 ppm2 0.541
!# peak 484-----------------------------------------------
assi (attr store1 < 0.501 and attr store1 > 0.401)
    ((attr store1 < 7.523 and attr store1 > 7.423)
     and bondedto (attr store1 < 120.513 and attr store1 > 119.513))
6 6 0 peak 484 volume 1656431 hpm1 120.013 ppm1 7.473 ppm2 0.451
!# peak 485-----------------------------------------------
assi (attr store1 < 0.402 and attr store1 > 0.302)
    ((attr store1 < 8.540 and attr store1 > 8.440)
     and bondedto (attr store1 < 120.499 and attr store1 > 119.499))
6 6 0 peak 485 volume 4949864 hpm1 119.999 ppm1 8.490 ppm2 0.352
!# peak 486-----------------------------------------------
assi (attr store1 < 11.517 and attr store1 > 11.417)
    ((attr store1 < 7.524 and attr store1 > 7.424)
     and bondedto (attr store1 < 120.489 and attr store1 > 119.489))
6 6 0 peak 486 volume 2556071 hpm1 119.989 ppm1 7.474 ppm2 11.467
!# peak 487-----------------------------------------------
assi (attr store1 < 8.772 and attr store1 > 8.672)
    ((attr store1 < 7.422 and attr store1 > 7.322)
     and bondedto (attr store1 < 120.393 and attr store1 > 119.393))
6 6 0 peak 487 volume 8799421 hpm1 119.893 ppm1 7.372 ppm2 8.722
!# peak 490-----------------------------------------------
assi (attr store1 < 7.974 and attr store1 > 7.874)
    ((attr store1 < 7.421 and attr store1 > 7.321)
     and bondedto (attr store1 < 120.391 and attr store1 > 119.391))
6 6 0 peak 490 volume 36532220 hpm1 119.891 ppm1 7.371 ppm2 7.924
!# peak 491-----------------------------------------------
assi (attr store1 < 7.907 and attr store1 > 7.807)
    ((attr store1 < 8.661 and attr store1 > 8.561)
     and bondedto (attr store1 < 120.293 and attr store1 > 119.293))
6 6 0 peak 491 volume 10357770 hpm1 119.793 ppm1 8.611 ppm2 7.857
!# peak 492-----------------------------------------------
assi (attr store1 < 7.478 and attr store1 > 7.378)
    ((attr store1 < 8.064 and attr store1 > 7.964)
     and bondedto (attr store1 < 120.353 and attr store1 > 119.353))
6 6 0 peak 492 volume 1457132 hpm1 119.853 ppm1 8.014 ppm2 7.428
!# peak 494-----------------------------------------------
assi (attr store1 < 7.112 and attr store1 > 7.012)
    ((attr store1 < 8.064 and attr store1 > 7.964)
     and bondedto (attr store1 < 120.371 and attr store1 > 119.371))
6 6 0 peak 494 volume 26719010 hpm1 119.871 ppm1 8.014 ppm2 7.062
!# peak 495-----------------------------------------------
assi (attr store1 < 7.026 and attr store1 > 6.926)
    ((attr store1 < 8.667 and attr store1 > 8.567)
     and bondedto (attr store1 < 120.324 and attr store1 > 119.324))
6 6 0 peak 495 volume 0.1300518e+07 hpm1 119.824 ppm1 8.617 ppm2 6.976
!# peak 497-----------------------------------------------
assi (attr store1 < 5.008 and attr store1 > 4.908)
    ((attr store1 < 7.423 and attr store1 > 7.323)
     and bondedto (attr store1 < 120.400 and attr store1 > 119.400))
6 6 0 peak 497 volume 1738639 hpm1 119.900 ppm1 7.373 ppm2 4.958
!# peak 499-----------------------------------------------
assi (attr store1 < 4.353 and attr store1 > 4.253)
    ((attr store1 < 7.421 and attr store1 > 7.321)
     and bondedto (attr store1 < 120.399 and attr store1 > 119.399))
6 6 0 peak 499 volume 33051262 hpm1 119.899 ppm1 7.371 ppm2 4.303
!# peak 500-----------------------------------------------
assi (attr store1 < 3.74 and attr store1 > 3.64)
    ((attr store1 < 8.662 and attr store1 > 8.562)
     and bondedto (attr store1 < 120.293 and attr store1 > 119.293))
6 6 0 peak 500 volume 5610587 hpm1 119.793 ppm1 8.612 ppm2 3.69
!# peak 501-----------------------------------------------
assi (attr store1 < 4.055 and attr store1 > 3.955)
    ((attr store1 < 8.062 and attr store1 > 7.962)
     and bondedto (attr store1 < 120.305 and attr store1 > 119.305))
6 6 0 peak 501 volume 48677968 hpm1 119.805 ppm1 8.012 ppm2 4.005
!# peak 502-----------------------------------------------
assi (attr store1 < 3.918 and attr store1 > 3.818)
    ((attr store1 < 8.661 and attr store1 > 8.561)
     and bondedto (attr store1 < 120.292 and attr store1 > 119.292))
6 6 0 peak 502 volume 12116020 hpm1 119.792 ppm1 8.611 ppm2 3.868
!# peak 503-----------------------------------------------
assi (attr store1 < 3.656 and attr store1 > 3.556)
    ((attr store1 < 8.067 and attr store1 > 7.967)
     and bondedto (attr store1 < 120.384 and attr store1 > 119.384))
6 6 0 peak 503 volume 11260330 hpm1 119.884 ppm1 8.017 ppm2 3.606
!# peak 504-----------------------------------------------
assi (attr store1 < 3.421 and attr store1 > 3.321)
    ((attr store1 < 8.662 and attr store1 > 8.562)
     and bondedto (attr store1 < 120.297 and attr store1 > 119.297))
6 6 0 peak 504 volume 15752301 hpm1 119.797 ppm1 8.612 ppm2 3.371
!# peak 505-----------------------------------------------
assi (attr store1 < 3.283 and attr store1 > 3.183)
    ((attr store1 < 8.661 and attr store1 > 8.561)
     and bondedto (attr store1 < 120.290 and attr store1 > 119.290))
6 6 0 peak 505 volume 17282550 hpm1 119.790 ppm1 8.611 ppm2 3.233
!# peak 506-----------------------------------------------
assi (attr store1 < 2.971 and attr store1 > 2.871)
    ((attr store1 < 7.422 and attr store1 > 7.322)
     and bondedto (attr store1 < 120.395 and attr store1 > 119.395))
6 6 0 peak 506 volume 5497430 hpm1 119.895 ppm1 7.372 ppm2 2.921
!# peak 507-----------------------------------------------
assi (attr store1 < 2.704 and attr store1 > 2.604)
    ((attr store1 < 7.417 and attr store1 > 7.317)
     and bondedto (attr store1 < 120.385 and attr store1 > 119.385))
6 6 0 peak 507 volume 1387662 hpm1 119.885 ppm1 7.367 ppm2 2.654
!# peak 508-----------------------------------------------
assi (attr store1 < 2.612 and attr store1 > 2.512)
    ((attr store1 < 8.662 and attr store1 > 8.562)
     and bondedto (attr store1 < 120.295 and attr store1 > 119.295))
6 6 0 peak 508 volume 10364620 hpm1 119.795 ppm1 8.612 ppm2 2.562
!# peak 509-----------------------------------------------
assi (attr store1 < 0.819 and attr store1 > 0.719)
    ((attr store1 < 8.069 and attr store1 > 7.969)
     and bondedto (attr store1 < 120.349 and attr store1 > 119.349))
6 6 0 peak 509 volume 39361272 hpm1 119.849 ppm1 8.019 ppm2 0.769
!# peak 510-----------------------------------------------
assi (attr store1 < 2.381 and attr store1 > 2.281)
    ((attr store1 < 7.422 and attr store1 > 7.322)
     and bondedto (attr store1 < 120.392 and attr store1 > 119.392))
6 6 0 peak 510 volume 64176268 hpm1 119.892 ppm1 7.372 ppm2 2.331
!# peak 511-----------------------------------------------
assi (attr store1 < 2.156 and attr store1 > 2.056)
    ((attr store1 < 8.661 and attr store1 > 8.561)
     and bondedto (attr store1 < 120.298 and attr store1 > 119.298))
6 6 0 peak 511 volume 6770789 hpm1 119.798 ppm1 8.611 ppm2 2.106
!# peak 512-----------------------------------------------
assi (attr store1 < 2.133 and attr store1 > 2.033)
    ((attr store1 < 7.421 and attr store1 > 7.321)
     and bondedto (attr store1 < 120.394 and attr store1 > 119.394))
6 6 0 peak 512 volume 28986200 hpm1 119.894 ppm1 7.371 ppm2 2.083
!# peak 513-----------------------------------------------
assi (attr store1 < 1.934 and attr store1 > 1.834)
    ((attr store1 < 8.662 and attr store1 > 8.562)
     and bondedto (attr store1 < 120.293 and attr store1 > 119.293))
6 6 0 peak 513 volume 49992640 hpm1 119.793 ppm1 8.612 ppm2 1.884
!# peak 514-----------------------------------------------
assi (attr store1 < 1.803 and attr store1 > 1.703)
    ((attr store1 < 8.661 and attr store1 > 8.561)
     and bondedto (attr store1 < 120.291 and attr store1 > 119.291))
6 6 0 peak 514 volume 30608172 hpm1 119.791 ppm1 8.611 ppm2 1.753
!# peak 515-----------------------------------------------
assi (attr store1 < 0.685 and attr store1 > 0.585)
    ((attr store1 < 8.065 and attr store1 > 7.965)
     and bondedto (attr store1 < 120.373 and attr store1 > 119.373))
6 6 0 peak 515 volume 53986012 hpm1 119.873 ppm1 8.015 ppm2 0.635
!# peak 516-----------------------------------------------
assi (attr store1 < 1.476 and attr store1 > 1.376)
    ((attr store1 < 8.666 and attr store1 > 8.566)
     and bondedto (attr store1 < 120.286 and attr store1 > 119.286))
6 6 0 peak 516 volume 3637121 hpm1 119.786 ppm1 8.616 ppm2 1.426
!# peak 517-----------------------------------------------
assi (attr store1 < 1.034 and attr store1 > 0.934)
    ((attr store1 < 8.661 and attr store1 > 8.561)
     and bondedto (attr store1 < 120.300 and attr store1 > 119.300))
6 6 0 peak 517 volume 17925190 hpm1 119.800 ppm1 8.611 ppm2 0.984
!# peak 518-----------------------------------------------
assi (attr store1 < 0.991 and attr store1 > 0.891)
    ((attr store1 < 7.420 and attr store1 > 7.320)
     and bondedto (attr store1 < 120.394 and attr store1 > 119.394))
6 6 0 peak 518 volume 8395898 hpm1 119.894 ppm1 7.370 ppm2 0.941
!# peak 519-----------------------------------------------
assi (attr store1 < 0.742 and attr store1 > 0.642)
    ((attr store1 < 7.423 and attr store1 > 7.323)
     and bondedto (attr store1 < 120.378 and attr store1 > 119.378))
6 6 0 peak 519 volume 1616150 hpm1 119.878 ppm1 7.373 ppm2 0.692
!# peak 520-----------------------------------------------
assi (attr store1 < 2.628 and attr store1 > 2.528)
    ((attr store1 < 8.063 and attr store1 > 7.963)
     and bondedto (attr store1 < 120.377 and attr store1 > 119.377))
6 6 0 peak 520 volume 7740494 hpm1 119.877 ppm1 8.013 ppm2 2.578
!# peak 521-----------------------------------------------
assi (attr store1 < 0.303 and attr store1 > 0.203)
    ((attr store1 < 8.662 and attr store1 > 8.562)
     and bondedto (attr store1 < 120.293 and attr store1 > 119.293))
6 6 0 peak 521 volume 15059111 hpm1 119.793 ppm1 8.612 ppm2 0.253
!# peak 522-----------------------------------------------
assi (attr store1 < 8.995 and attr store1 > 8.895)
    ((attr store1 < 8.057 and attr store1 > 7.957)
     and bondedto (attr store1 < 120.209 and attr store1 > 119.209))
6 6 0 peak 522 volume 2452169 hpm1 119.709 ppm1 8.007 ppm2 8.945
!# peak 523-----------------------------------------------
assi (attr store1 < 8.362 and attr store1 > 8.262)
    ((attr store1 < 8.060 and attr store1 > 7.960)
     and bondedto (attr store1 < 120.219 and attr store1 > 119.219))
6 6 0 peak 523 volume 43047200 hpm1 119.719 ppm1 8.010 ppm2 8.312
!# peak 525-----------------------------------------------
assi (attr store1 < 6.611 and attr store1 > 6.511)
    ((attr store1 < 8.058 and attr store1 > 7.958)
     and bondedto (attr store1 < 120.233 and attr store1 > 119.233))
6 6 0 peak 525 volume 1169421 hpm1 119.733 ppm1 8.008 ppm2 6.561
!# peak 526-----------------------------------------------
assi (attr store1 < 3.903 and attr store1 > 3.803)
    ((attr store1 < 8.057 and attr store1 > 7.957)
     and bondedto (attr store1 < 120.174 and attr store1 > 119.174))
6 6 0 peak 526 volume 25134280 hpm1 119.674 ppm1 8.007 ppm2 3.853
!# peak 527-----------------------------------------------
assi (attr store1 < 4.476 and attr store1 > 4.376)
    ((attr store1 < 8.060 and attr store1 > 7.960)
     and bondedto (attr store1 < 120.213 and attr store1 > 119.213))
6 6 0 peak 527 volume 34226760 hpm1 119.713 ppm1 8.010 ppm2 4.426
!# peak 528-----------------------------------------------
assi (attr store1 < 2.75 and attr store1 > 2.65)
    ((attr store1 < 8.059 and attr store1 > 7.959)
     and bondedto (attr store1 < 120.206 and attr store1 > 119.206))
6 6 0 peak 528 volume 8395926 hpm1 119.706 ppm1 8.009 ppm2 2.7
!# peak 529-----------------------------------------------
assi (attr store1 < 1.024 and attr store1 > 0.924)
    ((attr store1 < 8.062 and attr store1 > 7.962)
     and bondedto (attr store1 < 120.199 and attr store1 > 119.199))
6 6 0 peak 529 volume 24724900 hpm1 119.699 ppm1 8.012 ppm2 0.974
!# peak 530-----------------------------------------------
assi (attr store1 < 0.829 and attr store1 > 0.729)
    ((attr store1 < 8.034 and attr store1 > 7.934)
     and bondedto (attr store1 < 120.212 and attr store1 > 119.212))
6 6 0 peak 530 volume 52028692 hpm1 119.712 ppm1 7.984 ppm2 0.779
!# peak 531-----------------------------------------------
assi (attr store1 < 7.802 and attr store1 > 7.702)
    ((attr store1 < 8.086 and attr store1 > 7.986)
     and bondedto (attr store1 < 119.809 and attr store1 > 118.809))
6 6 0 peak 531 volume 23023500 hpm1 119.309 ppm1 8.036 ppm2 7.752
!# peak 532-----------------------------------------------
assi (attr store1 < 4.591 and attr store1 > 4.491)
    ((attr store1 < 8.090 and attr store1 > 7.990)
     and bondedto (attr store1 < 119.812 and attr store1 > 118.812))
6 6 0 peak 532 volume 9521939 hpm1 119.312 ppm1 8.040 ppm2 4.541
!# peak 533-----------------------------------------------
assi (attr store1 < 4.325 and attr store1 > 4.225)
    ((attr store1 < 8.089 and attr store1 > 7.989)
     and bondedto (attr store1 < 119.808 and attr store1 > 118.808))
6 6 0 peak 533 volume 14312370 hpm1 119.308 ppm1 8.039 ppm2 4.275
!# peak 534-----------------------------------------------
assi (attr store1 < 4.214 and attr store1 > 4.114)
    ((attr store1 < 8.087 and attr store1 > 7.987)
     and bondedto (attr store1 < 119.801 and attr store1 > 118.801))
6 6 0 peak 534 volume 4478381 hpm1 119.301 ppm1 8.037 ppm2 4.164
!# peak 535-----------------------------------------------
assi (attr store1 < 1.763 and attr store1 > 1.663)
    ((attr store1 < 8.085 and attr store1 > 7.985)
     and bondedto (attr store1 < 119.818 and attr store1 > 118.818))
6 6 0 peak 535 volume 88846600 hpm1 119.318 ppm1 8.035 ppm2 1.713
!# peak 536-----------------------------------------------
assi (attr store1 < 1.855 and attr store1 > 1.755)
    ((attr store1 < 8.092 and attr store1 > 7.992)
     and bondedto (attr store1 < 119.817 and attr store1 > 118.817))
6 6 0 peak 536 volume 122880400 hpm1 119.317 ppm1 8.042 ppm2 1.805
!# peak 537-----------------------------------------------
assi (attr store1 < 9.065 and attr store1 > 8.965)
    ((attr store1 < 7.854 and attr store1 > 7.754)
     and bondedto (attr store1 < 119.568 and attr store1 > 118.568))
6 6 0 peak 537 volume 19307010 hpm1 119.068 ppm1 7.804 ppm2 9.015
!# peak 538-----------------------------------------------
assi (attr store1 < 8.739 and attr store1 > 8.639)
    ((attr store1 < 7.853 and attr store1 > 7.753)
     and bondedto (attr store1 < 119.562 and attr store1 > 118.562))
6 6 0 peak 538 volume 0.160636e+07 hpm1 119.062 ppm1 7.803 ppm2 8.689
!# peak 540-----------------------------------------------
assi (attr store1 < 7.422 and attr store1 > 7.322)
    ((attr store1 < 7.850 and attr store1 > 7.750)
     and bondedto (attr store1 < 119.579 and attr store1 > 118.579))
6 6 0 peak 540 volume 1071667 hpm1 119.079 ppm1 7.800 ppm2 7.372
!# peak 542-----------------------------------------------
assi (attr store1 < 4.099 and attr store1 > 3.999)
    ((attr store1 < 7.853 and attr store1 > 7.753)
     and bondedto (attr store1 < 119.563 and attr store1 > 118.563))
6 6 0 peak 542 volume 33886148 hpm1 119.063 ppm1 7.803 ppm2 4.049
!# peak 543-----------------------------------------------
assi (attr store1 < 2.379 and attr store1 > 2.279)
    ((attr store1 < 7.854 and attr store1 > 7.754)
     and bondedto (attr store1 < 119.565 and attr store1 > 118.565))
6 6 0 peak 543 volume 17438400 hpm1 119.065 ppm1 7.804 ppm2 2.329
!# peak 544-----------------------------------------------
assi (attr store1 < 2.171 and attr store1 > 2.071)
    ((attr store1 < 7.854 and attr store1 > 7.754)
     and bondedto (attr store1 < 119.562 and attr store1 > 118.562))
6 6 0 peak 544 volume 62277280 hpm1 119.062 ppm1 7.804 ppm2 2.121
!# peak 545-----------------------------------------------
assi (attr store1 < 1.948 and attr store1 > 1.848)
    ((attr store1 < 7.854 and attr store1 > 7.754)
     and bondedto (attr store1 < 119.560 and attr store1 > 118.560))
6 6 0 peak 545 volume 103163000 hpm1 119.060 ppm1 7.804 ppm2 1.898
!# peak 546-----------------------------------------------
assi (attr store1 < 1.158 and attr store1 > 1.058)
    ((attr store1 < 7.853 and attr store1 > 7.753)
     and bondedto (attr store1 < 119.572 and attr store1 > 118.572))
6 6 0 peak 546 volume 10519390 hpm1 119.072 ppm1 7.803 ppm2 1.108
!# peak 547-----------------------------------------------
assi (attr store1 < 9.448 and attr store1 > 9.348)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 119.404 and attr store1 > 118.404))
6 6 0 peak 547 volume 1817629 hpm1 118.904 ppm1 8.399 ppm2 9.398
!# peak 549-----------------------------------------------
assi (attr store1 < 8.147 and attr store1 > 8.047)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 119.382 and attr store1 > 118.382))
6 6 0 peak 549 volume 1128095 hpm1 118.882 ppm1 8.399 ppm2 8.097
!# peak 550-----------------------------------------------
assi (attr store1 < 8.117 and attr store1 > 8.017)
    ((attr store1 < 7.584 and attr store1 > 7.484)
     and bondedto (attr store1 < 119.404 and attr store1 > 118.404))
6 6 0 peak 550 volume 45207988 hpm1 118.904 ppm1 7.534 ppm2 8.067
!# peak 551-----------------------------------------------
assi (attr store1 < 7.606 and attr store1 > 7.506)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 119.405 and attr store1 > 118.405))
6 6 0 peak 551 volume 20447330 hpm1 118.905 ppm1 8.399 ppm2 7.556
!# peak 552-----------------------------------------------
assi (attr store1 < 7.378 and attr store1 > 7.278)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 119.403 and attr store1 > 118.403))
6 6 0 peak 552 volume 14448310 hpm1 118.903 ppm1 8.399 ppm2 7.328
!# peak 553-----------------------------------------------
assi (attr store1 < 5.036 and attr store1 > 4.936)
    ((attr store1 < 8.448 and attr store1 > 8.348)
     and bondedto (attr store1 < 119.412 and attr store1 > 118.412))
6 6 0 peak 553 volume 1368937 hpm1 118.912 ppm1 8.398 ppm2 4.986
!# peak 555-----------------------------------------------
assi (attr store1 < 4.424 and attr store1 > 4.324)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 119.400 and attr store1 > 118.400))
6 6 0 peak 555 volume 9396704 hpm1 118.900 ppm1 8.399 ppm2 4.374
!# peak 556-----------------------------------------------
assi (attr store1 < 4.044 and attr store1 > 3.944)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 119.405 and attr store1 > 118.405))
6 6 0 peak 556 volume 20845210 hpm1 118.905 ppm1 8.399 ppm2 3.994
!# peak 557-----------------------------------------------
assi (attr store1 < 3.41 and attr store1 > 3.31)
    ((attr store1 < 7.592 and attr store1 > 7.492)
     and bondedto (attr store1 < 119.451 and attr store1 > 118.451))
6 6 0 peak 557 volume 10300940 hpm1 118.951 ppm1 7.542 ppm2 3.36
!# peak 558-----------------------------------------------
assi (attr store1 < 3.281 and attr store1 > 3.181)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 119.407 and attr store1 > 118.407))
6 6 0 peak 558 volume 31377370 hpm1 118.907 ppm1 8.399 ppm2 3.231
!# peak 559-----------------------------------------------
assi (attr store1 < 3.055 and attr store1 > 2.955)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 119.404 and attr store1 > 118.404))
6 6 0 peak 559 volume 33295280 hpm1 118.904 ppm1 8.399 ppm2 3.005
!# peak 560-----------------------------------------------
assi (attr store1 < 2.712 and attr store1 > 2.612)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 119.404 and attr store1 > 118.404))
6 6 0 peak 560 volume 27626420 hpm1 118.904 ppm1 8.399 ppm2 2.662
!# peak 561-----------------------------------------------
assi (attr store1 < 2.616 and attr store1 > 2.516)
    ((attr store1 < 7.582 and attr store1 > 7.482)
     and bondedto (attr store1 < 119.357 and attr store1 > 118.357))
6 6 0 peak 561 volume 67725344 hpm1 118.857 ppm1 7.532 ppm2 2.566
!# peak 562-----------------------------------------------
assi (attr store1 < 2.297 and attr store1 > 2.197)
    ((attr store1 < 8.451 and attr store1 > 8.351)
     and bondedto (attr store1 < 119.393 and attr store1 > 118.393))
6 6 0 peak 562 volume 7081217 hpm1 118.893 ppm1 8.401 ppm2 2.247
!# peak 563-----------------------------------------------
assi (attr store1 < 2.197 and attr store1 > 2.097)
    ((attr store1 < 7.587 and attr store1 > 7.487)
     and bondedto (attr store1 < 119.446 and attr store1 > 118.446))
6 6 0 peak 563 volume 78833376 hpm1 118.946 ppm1 7.537 ppm2 2.147
!# peak 564-----------------------------------------------
assi (attr store1 < 2.107 and attr store1 > 2.007)
    ((attr store1 < 8.448 and attr store1 > 8.348)
     and bondedto (attr store1 < 119.416 and attr store1 > 118.416))
6 6 0 peak 564 volume 3997953 hpm1 118.916 ppm1 8.398 ppm2 2.057
!# peak 565-----------------------------------------------
assi (attr store1 < 2.032 and attr store1 > 1.932)
    ((attr store1 < 7.586 and attr store1 > 7.486)
     and bondedto (attr store1 < 119.440 and attr store1 > 118.440))
6 6 0 peak 565 volume 77300336 hpm1 118.940 ppm1 7.536 ppm2 1.982
!# peak 566-----------------------------------------------
assi (attr store1 < 1.934 and attr store1 > 1.834)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 119.407 and attr store1 > 118.407))
6 6 0 peak 566 volume 0.3389418e+07 hpm1 118.907 ppm1 8.399 ppm2 1.884
!# peak 567-----------------------------------------------
assi (attr store1 < 1.666 and attr store1 > 1.566)
    ((attr store1 < 8.448 and attr store1 > 8.348)
     and bondedto (attr store1 < 119.399 and attr store1 > 118.399))
6 6 0 peak 567 volume 1670910 hpm1 118.899 ppm1 8.398 ppm2 1.616
!# peak 568-----------------------------------------------
assi (attr store1 < 1.406 and attr store1 > 1.306)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 119.401 and attr store1 > 118.401))
6 6 0 peak 568 volume 11666680 hpm1 118.901 ppm1 8.399 ppm2 1.356
!# peak 569-----------------------------------------------
assi (attr store1 < 1.359 and attr store1 > 1.259)
    ((attr store1 < 7.584 and attr store1 > 7.484)
     and bondedto (attr store1 < 119.410 and attr store1 > 118.410))
6 6 0 peak 569 volume 28689480 hpm1 118.910 ppm1 7.534 ppm2 1.309
!# peak 570-----------------------------------------------
assi (attr store1 < 1.024 and attr store1 > 0.924)
    ((attr store1 < 7.583 and attr store1 > 7.483)
     and bondedto (attr store1 < 119.459 and attr store1 > 118.459))
6 6 0 peak 570 volume 3039280 hpm1 118.959 ppm1 7.533 ppm2 0.974
!# peak 571-----------------------------------------------
assi (attr store1 < 2.461 and attr store1 > 2.361)
    ((attr store1 < 8.455 and attr store1 > 8.355)
     and bondedto (attr store1 < 119.398 and attr store1 > 118.398))
6 6 0 peak 571 volume 5010642 hpm1 118.898 ppm1 8.405 ppm2 2.411
!# peak 572-----------------------------------------------
assi (attr store1 < 1.485 and attr store1 > 1.385)
    ((attr store1 < 7.592 and attr store1 > 7.492)
     and bondedto (attr store1 < 119.467 and attr store1 > 118.467))
6 6 0 peak 572 volume 13330220 hpm1 118.967 ppm1 7.542 ppm2 1.435
!# peak 573-----------------------------------------------
assi (attr store1 < 9.447 and attr store1 > 9.347)
    ((attr store1 < 7.578 and attr store1 > 7.478)
     and bondedto (attr store1 < 119.232 and attr store1 > 118.232))
6 6 0 peak 573 volume 7658969 hpm1 118.732 ppm1 7.528 ppm2 9.397
!# peak 574-----------------------------------------------
assi (attr store1 < 8.552 and attr store1 > 8.452)
    ((attr store1 < 7.893 and attr store1 > 7.793)
     and bondedto (attr store1 < 119.210 and attr store1 > 118.210))
6 6 0 peak 574 volume 1485218 hpm1 118.710 ppm1 7.843 ppm2 8.502
!# peak 575-----------------------------------------------
assi (attr store1 < 8.473 and attr store1 > 8.373)
    ((attr store1 < 7.578 and attr store1 > 7.478)
     and bondedto (attr store1 < 119.234 and attr store1 > 118.234))
6 6 0 peak 575 volume 28966340 hpm1 118.734 ppm1 7.528 ppm2 8.423
!# peak 576-----------------------------------------------
assi (attr store1 < 8.285 and attr store1 > 8.185)
    ((attr store1 < 7.918 and attr store1 > 7.818)
     and bondedto (attr store1 < 119.269 and attr store1 > 118.269))
6 6 0 peak 576 volume 2428071 hpm1 118.769 ppm1 7.868 ppm2 8.235
!# peak 578-----------------------------------------------
assi (attr store1 < 7.606 and attr store1 > 7.506)
    ((attr store1 < 6.928 and attr store1 > 6.828)
     and bondedto (attr store1 < 119.258 and attr store1 > 118.258))
6 6 0 peak 578 volume 1328705 hpm1 118.758 ppm1 6.878 ppm2 7.556
!# peak 579-----------------------------------------------
assi (attr store1 < 7.248 and attr store1 > 7.148)
    ((attr store1 < 6.805 and attr store1 > 6.705)
     and bondedto (attr store1 < 119.214 and attr store1 > 118.214))
6 6 0 peak 579 volume 1167360 hpm1 118.714 ppm1 6.755 ppm2 7.198
!# peak 580-----------------------------------------------
assi (attr store1 < 7.219 and attr store1 > 7.119)
    ((attr store1 < 7.903 and attr store1 > 7.803)
     and bondedto (attr store1 < 119.230 and attr store1 > 118.230))
6 6 0 peak 580 volume 24353800 hpm1 118.730 ppm1 7.853 ppm2 7.169
!# peak 581-----------------------------------------------
assi (attr store1 < 6.873 and attr store1 > 6.773)
    ((attr store1 < 7.906 and attr store1 > 7.806)
     and bondedto (attr store1 < 119.224 and attr store1 > 118.224))
6 6 0 peak 581 volume 2223080 hpm1 118.724 ppm1 7.856 ppm2 6.823
!# peak 582-----------------------------------------------
assi (attr store1 < 3.979 and attr store1 > 3.879)
    ((attr store1 < 7.910 and attr store1 > 7.810)
     and bondedto (attr store1 < 119.250 and attr store1 > 118.250))
6 6 0 peak 582 volume 33092750 hpm1 118.750 ppm1 7.860 ppm2 3.929
!# peak 584-----------------------------------------------
assi (attr store1 < 4.426 and attr store1 > 4.326)
    ((attr store1 < 7.926 and attr store1 > 7.826)
     and bondedto (attr store1 < 119.260 and attr store1 > 118.260))
6 6 0 peak 584 volume 11690080 hpm1 118.760 ppm1 7.876 ppm2 4.376
!# peak 585-----------------------------------------------
assi (attr store1 < 4.421 and attr store1 > 4.321)
    ((attr store1 < 7.578 and attr store1 > 7.478)
     and bondedto (attr store1 < 119.237 and attr store1 > 118.237))
6 6 0 peak 585 volume 43771900 hpm1 118.737 ppm1 7.528 ppm2 4.371
!# peak 586-----------------------------------------------
assi (attr store1 < 3.873 and attr store1 > 3.773)
    ((attr store1 < 7.887 and attr store1 > 7.787)
     and bondedto (attr store1 < 119.240 and attr store1 > 118.240))
6 6 0 peak 586 volume 62972896 hpm1 118.740 ppm1 7.837 ppm2 3.823
!# peak 587-----------------------------------------------
assi (attr store1 < 3.416 and attr store1 > 3.316)
    ((attr store1 < 7.888 and attr store1 > 7.788)
     and bondedto (attr store1 < 119.221 and attr store1 > 118.221))
6 6 0 peak 587 volume 22884500 hpm1 118.721 ppm1 7.838 ppm2 3.366
!# peak 588-----------------------------------------------
assi (attr store1 < 3.278 and attr store1 > 3.178)
    ((attr store1 < 7.581 and attr store1 > 7.481)
     and bondedto (attr store1 < 119.299 and attr store1 > 118.299))
6 6 0 peak 588 volume 14322349 hpm1 118.799 ppm1 7.531 ppm2 3.228
!# peak 589-----------------------------------------------
assi (attr store1 < 3.206 and attr store1 > 3.106)
    ((attr store1 < 7.917 and attr store1 > 7.817)
     and bondedto (attr store1 < 119.247 and attr store1 > 118.247))
6 6 0 peak 589 volume 17123390 hpm1 118.747 ppm1 7.867 ppm2 3.156
!# peak 590-----------------------------------------------
assi (attr store1 < 3.027 and attr store1 > 2.927)
    ((attr store1 < 7.577 and attr store1 > 7.477)
     and bondedto (attr store1 < 119.231 and attr store1 > 118.231))
6 6 0 peak 590 volume 27053490 hpm1 118.731 ppm1 7.527 ppm2 2.977
!# peak 591-----------------------------------------------
assi (attr store1 < 2.93 and attr store1 > 2.83)
    ((attr store1 < 7.927 and attr store1 > 7.827)
     and bondedto (attr store1 < 119.250 and attr store1 > 118.250))
6 6 0 peak 591 volume 11135410 hpm1 118.750 ppm1 7.877 ppm2 2.88
!# peak 592-----------------------------------------------
assi (attr store1 < 1.809 and attr store1 > 1.709)
    ((attr store1 < 7.885 and attr store1 > 7.785)
     and bondedto (attr store1 < 119.246 and attr store1 > 118.246))
6 6 0 peak 592 volume 82088176 hpm1 118.746 ppm1 7.835 ppm2 1.759
!# peak 593-----------------------------------------------
assi (attr store1 < 1.622 and attr store1 > 1.522)
    ((attr store1 < 7.888 and attr store1 > 7.788)
     and bondedto (attr store1 < 119.227 and attr store1 > 118.227))
6 6 0 peak 593 volume 46042640 hpm1 118.727 ppm1 7.838 ppm2 1.572
!# peak 594-----------------------------------------------
assi (attr store1 < 1.381 and attr store1 > 1.281)
    ((attr store1 < 7.890 and attr store1 > 7.790)
     and bondedto (attr store1 < 119.219 and attr store1 > 118.219))
6 6 0 peak 594 volume 17940510 hpm1 118.719 ppm1 7.840 ppm2 1.331
!# peak 595-----------------------------------------------
assi (attr store1 < 1.003 and attr store1 > 0.903)
    ((attr store1 < 7.888 and attr store1 > 7.788)
     and bondedto (attr store1 < 119.218 and attr store1 > 118.218))
6 6 0 peak 595 volume 26359638 hpm1 118.718 ppm1 7.838 ppm2 0.953
!# peak 596-----------------------------------------------
assi (attr store1 < 1.682 and attr store1 > 1.582)
    ((attr store1 < 7.594 and attr store1 > 7.494)
     and bondedto (attr store1 < 119.304 and attr store1 > 118.304))
6 6 0 peak 596 volume 11161270 hpm1 118.804 ppm1 7.544 ppm2 1.632
!# peak 597-----------------------------------------------
assi (attr store1 < 0.896 and attr store1 > 0.796)
    ((attr store1 < 7.886 and attr store1 > 7.786)
     and bondedto (attr store1 < 119.222 and attr store1 > 118.222))
6 6 0 peak 597 volume 19894230 hpm1 118.722 ppm1 7.836 ppm2 0.846
!# peak 598-----------------------------------------------
assi (attr store1 < 9.131 and attr store1 > 9.031)
    ((attr store1 < 6.804 and attr store1 > 6.704)
     and bondedto (attr store1 < 119.124 and attr store1 > 118.124))
6 6 0 peak 598 volume 1259309 hpm1 118.624 ppm1 6.754 ppm2 9.081
!# peak 599-----------------------------------------------
assi (attr store1 < 8.555 and attr store1 > 8.455)
    ((attr store1 < 6.803 and attr store1 > 6.703)
     and bondedto (attr store1 < 119.108 and attr store1 > 118.108))
6 6 0 peak 599 volume 17051480 hpm1 118.608 ppm1 6.753 ppm2 8.505
!# peak 600-----------------------------------------------
assi (attr store1 < 8.341 and attr store1 > 8.241)
    ((attr store1 < 6.804 and attr store1 > 6.704)
     and bondedto (attr store1 < 119.114 and attr store1 > 118.114))
6 6 0 peak 600 volume 20118520 hpm1 118.614 ppm1 6.754 ppm2 8.291
!# peak 601-----------------------------------------------
assi (attr store1 < 7.898 and attr store1 > 7.798)
    ((attr store1 < 6.808 and attr store1 > 6.708)
     and bondedto (attr store1 < 119.135 and attr store1 > 118.135))
6 6 0 peak 601 volume 4485579 hpm1 118.635 ppm1 6.758 ppm2 7.848
!# peak 604-----------------------------------------------
assi (attr store1 < 4.042 and attr store1 > 3.942)
    ((attr store1 < 6.804 and attr store1 > 6.704)
     and bondedto (attr store1 < 119.109 and attr store1 > 118.109))
6 6 0 peak 604 volume 21559400 hpm1 118.609 ppm1 6.754 ppm2 3.992
!# peak 605-----------------------------------------------
assi (attr store1 < 3.744 and attr store1 > 3.644)
    ((attr store1 < 6.802 and attr store1 > 6.702)
     and bondedto (attr store1 < 119.100 and attr store1 > 118.100))
6 6 0 peak 605 volume 2296979 hpm1 118.600 ppm1 6.752 ppm2 3.694
!# peak 606-----------------------------------------------
assi (attr store1 < 3.521 and attr store1 > 3.421)
    ((attr store1 < 6.807 and attr store1 > 6.707)
     and bondedto (attr store1 < 119.122 and attr store1 > 118.122))
6 6 0 peak 606 volume 6427133 hpm1 118.622 ppm1 6.757 ppm2 3.471
!# peak 607-----------------------------------------------
assi (attr store1 < 2.946 and attr store1 > 2.846)
    ((attr store1 < 6.804 and attr store1 > 6.704)
     and bondedto (attr store1 < 119.127 and attr store1 > 118.127))
6 6 0 peak 607 volume 0.3057801e+07 hpm1 118.627 ppm1 6.754 ppm2 2.896
!# peak 608-----------------------------------------------
assi (attr store1 < 2.167 and attr store1 > 2.067)
    ((attr store1 < 6.803 and attr store1 > 6.703)
     and bondedto (attr store1 < 119.104 and attr store1 > 118.104))
6 6 0 peak 608 volume 19041340 hpm1 118.604 ppm1 6.753 ppm2 2.117
!# peak 609-----------------------------------------------
assi (attr store1 < 1.771 and attr store1 > 1.671)
    ((attr store1 < 6.804 and attr store1 > 6.704)
     and bondedto (attr store1 < 119.112 and attr store1 > 118.112))
6 6 0 peak 609 volume 55907880 hpm1 118.612 ppm1 6.754 ppm2 1.721
!# peak 610-----------------------------------------------
assi (attr store1 < 1.427 and attr store1 > 1.327)
    ((attr store1 < 6.806 and attr store1 > 6.706)
     and bondedto (attr store1 < 119.109 and attr store1 > 118.109))
6 6 0 peak 610 volume 12207790 hpm1 118.609 ppm1 6.756 ppm2 1.377
!# peak 611-----------------------------------------------
assi (attr store1 < 1.025 and attr store1 > 0.925)
    ((attr store1 < 6.804 and attr store1 > 6.704)
     and bondedto (attr store1 < 119.115 and attr store1 > 118.115))
6 6 0 peak 611 volume 21295230 hpm1 118.615 ppm1 6.754 ppm2 0.975
!# peak 612-----------------------------------------------
assi (attr store1 < 0.666 and attr store1 > 0.566)
    ((attr store1 < 6.802 and attr store1 > 6.702)
     and bondedto (attr store1 < 119.114 and attr store1 > 118.114))
6 6 0 peak 612 volume 1128067 hpm1 118.614 ppm1 6.752 ppm2 0.616
!# peak 613-----------------------------------------------
assi (attr store1 < 0.427 and attr store1 > 0.327)
    ((attr store1 < 6.805 and attr store1 > 6.705)
     and bondedto (attr store1 < 119.144 and attr store1 > 118.144))
6 6 0 peak 613 volume 2526614 hpm1 118.644 ppm1 6.755 ppm2 0.377
!# peak 614-----------------------------------------------
assi (attr store1 < 0.186 and attr store1 > 0.086)
    ((attr store1 < 6.805 and attr store1 > 6.705)
     and bondedto (attr store1 < 119.108 and attr store1 > 118.108))
6 6 0 peak 614 volume 2177289 hpm1 118.608 ppm1 6.755 ppm2 0.136
!# peak 617-----------------------------------------------
assi (attr store1 < 4.234 and attr store1 > 4.134)
    ((attr store1 < 7.670 and attr store1 > 7.570)
     and bondedto (attr store1 < 118.870 and attr store1 > 117.870))
6 6 0 peak 617 volume 36974940 hpm1 118.370 ppm1 7.620 ppm2 4.184
!# peak 618-----------------------------------------------
assi (attr store1 < 3.978 and attr store1 > 3.878)
    ((attr store1 < 7.672 and attr store1 > 7.572)
     and bondedto (attr store1 < 118.860 and attr store1 > 117.860))
6 6 0 peak 618 volume 17092470 hpm1 118.360 ppm1 7.622 ppm2 3.928
!# peak 619-----------------------------------------------
assi (attr store1 < 1.892 and attr store1 > 1.792)
    ((attr store1 < 7.671 and attr store1 > 7.571)
     and bondedto (attr store1 < 118.873 and attr store1 > 117.873))
6 6 0 peak 619 volume 54420860 hpm1 118.373 ppm1 7.621 ppm2 1.842
!# peak 620-----------------------------------------------
assi (attr store1 < 1.749 and attr store1 > 1.649)
    ((attr store1 < 7.671 and attr store1 > 7.571)
     and bondedto (attr store1 < 118.87 and attr store1 > 117.87))
6 6 0 peak 620 volume 30664810 hpm1 118.37 ppm1 7.621 ppm2 1.699
!# peak 622-----------------------------------------------
assi (attr store1 < 7.568 and attr store1 > 7.468)
    ((attr store1 < 8.090 and attr store1 > 7.990)
     and bondedto (attr store1 < 118.716 and attr store1 > 117.716))
6 6 0 peak 622 volume 26398938 hpm1 118.216 ppm1 8.040 ppm2 7.518
!# peak 623-----------------------------------------------
assi (attr store1 < 7.197 and attr store1 > 7.097)
    ((attr store1 < 8.088 and attr store1 > 7.988)
     and bondedto (attr store1 < 118.719 and attr store1 > 117.719))
6 6 0 peak 623 volume 2656894 hpm1 118.219 ppm1 8.038 ppm2 7.147
!# peak 624-----------------------------------------------
assi (attr store1 < 5.621 and attr store1 > 5.521)
    ((attr store1 < 8.089 and attr store1 > 7.989)
     and bondedto (attr store1 < 118.738 and attr store1 > 117.738))
6 6 0 peak 624 volume 1296227 hpm1 118.238 ppm1 8.039 ppm2 5.571
!# peak 625-----------------------------------------------
assi (attr store1 < 4.552 and attr store1 > 4.452)
    ((attr store1 < 8.090 and attr store1 > 7.990)
     and bondedto (attr store1 < 118.710 and attr store1 > 117.710))
6 6 0 peak 625 volume 14147320 hpm1 118.210 ppm1 8.040 ppm2 4.502
!# peak 626-----------------------------------------------
assi (attr store1 < 4.144 and attr store1 > 4.044)
    ((attr store1 < 8.091 and attr store1 > 7.991)
     and bondedto (attr store1 < 118.714 and attr store1 > 117.714))
6 6 0 peak 626 volume 5228953 hpm1 118.214 ppm1 8.041 ppm2 4.094
!# peak 627-----------------------------------------------
assi (attr store1 < 3.878 and attr store1 > 3.778)
    ((attr store1 < 8.089 and attr store1 > 7.989)
     and bondedto (attr store1 < 118.712 and attr store1 > 117.712))
6 6 0 peak 627 volume 11192230 hpm1 118.212 ppm1 8.039 ppm2 3.828
!# peak 628-----------------------------------------------
assi (attr store1 < 3.637 and attr store1 > 3.537)
    ((attr store1 < 8.091 and attr store1 > 7.990)
     and bondedto (attr store1 < 118.717 and attr store1 > 117.717))
6 6 0 peak 628 volume 5682760 hpm1 118.217 ppm1 8.040 ppm2 3.587
!# peak 629-----------------------------------------------
assi (attr store1 < 3.424 and attr store1 > 3.324)
    ((attr store1 < 8.089 and attr store1 > 7.989)
     and bondedto (attr store1 < 118.713 and attr store1 > 117.713))
6 6 0 peak 629 volume 15733550 hpm1 118.213 ppm1 8.039 ppm2 3.374
!# peak 630-----------------------------------------------
assi (attr store1 < 1.658 and attr store1 > 1.558)
    ((attr store1 < 8.101 and attr store1 > 8.001)
     and bondedto (attr store1 < 118.715 and attr store1 > 117.715))
6 6 0 peak 630 volume 1724397 hpm1 118.215 ppm1 8.051 ppm2 1.608
!# peak 631-----------------------------------------------
assi (attr store1 < 1.345 and attr store1 > 1.245)
    ((attr store1 < 8.090 and attr store1 > 7.990)
     and bondedto (attr store1 < 118.716 and attr store1 > 117.716))
6 6 0 peak 631 volume 32251990 hpm1 118.216 ppm1 8.040 ppm2 1.295
!# peak 632-----------------------------------------------
assi (attr store1 < 1.483 and attr store1 > 1.383)
    ((attr store1 < 8.090 and attr store1 > 7.990)
     and bondedto (attr store1 < 118.712 and attr store1 > 117.712))
6 6 0 peak 632 volume 40181572 hpm1 118.212 ppm1 8.040 ppm2 1.433
!# peak 633-----------------------------------------------
assi (attr store1 < 1.027 and attr store1 > 0.927)
    ((attr store1 < 8.090 and attr store1 > 7.990)
     and bondedto (attr store1 < 118.720 and attr store1 > 117.720))
6 6 0 peak 633 volume 1542109 hpm1 118.220 ppm1 8.040 ppm2 0.977
!# peak 634-----------------------------------------------
assi (attr store1 < 11.517 and attr store1 > 11.417)
    ((attr store1 < 8.088 and attr store1 > 7.988)
     and bondedto (attr store1 < 118.703 and attr store1 > 117.703))
6 6 0 peak 634 volume 4837751 hpm1 118.203 ppm1 8.038 ppm2 11.467
!# peak 635-----------------------------------------------
assi (attr store1 < 7.489 and attr store1 > 7.389)
    ((attr store1 < 8.250 and attr store1 > 8.150)
     and bondedto (attr store1 < 118.188 and attr store1 > 117.188))
6 6 0 peak 635 volume 0.8624983e+06 hpm1 117.688 ppm1 8.200 ppm2 7.439
!# peak 636-----------------------------------------------
assi (attr store1 < 8.555 and attr store1 > 8.455)
    ((attr store1 < 8.247 and attr store1 > 8.147)
     and bondedto (attr store1 < 118.108 and attr store1 > 117.108))
6 6 0 peak 636 volume 0.8958494e+06 hpm1 117.608 ppm1 8.197 ppm2 8.505
!# peak 638-----------------------------------------------
assi (attr store1 < 8.016 and attr store1 > 7.916)
    ((attr store1 < 7.397 and attr store1 > 7.297)
     and bondedto (attr store1 < 118.155 and attr store1 > 117.155))
6 6 0 peak 638 volume 17821450 hpm1 117.655 ppm1 7.347 ppm2 7.966
!# peak 639-----------------------------------------------
assi (attr store1 < 7.798 and attr store1 > 7.698)
    ((attr store1 < 8.243 and attr store1 > 8.143)
     and bondedto (attr store1 < 118.102 and attr store1 > 117.102))
6 6 0 peak 639 volume 15603080 hpm1 117.602 ppm1 8.193 ppm2 7.748
!# peak 642-----------------------------------------------
assi (attr store1 < 7.39 and attr store1 > 7.29)
    ((attr store1 < 8.244 and attr store1 > 8.144)
     and bondedto (attr store1 < 118.110 and attr store1 > 117.110))
6 6 0 peak 642 volume 1429027 hpm1 117.610 ppm1 8.194 ppm2 7.34
!# peak 643-----------------------------------------------
assi (attr store1 < 7.112 and attr store1 > 7.012)
    ((attr store1 < 8.242 and attr store1 > 8.142)
     and bondedto (attr store1 < 118.108 and attr store1 > 117.108))
6 6 0 peak 643 volume 0.3713028e+07 hpm1 117.608 ppm1 8.192 ppm2 7.062
!# peak 645-----------------------------------------------
assi (attr store1 < 3.827 and attr store1 > 3.727)
    ((attr store1 < 7.732 and attr store1 > 7.632)
     and bondedto (attr store1 < 118.111 and attr store1 > 117.111))
6 6 0 peak 645 volume 7324966 hpm1 117.611 ppm1 7.682 ppm2 3.777
!# peak 647-----------------------------------------------
assi (attr store1 < 4.448 and attr store1 > 4.348)
    ((attr store1 < 8.417 and attr store1 > 8.317)
     and bondedto (attr store1 < 118.136 and attr store1 > 117.136))
6 6 0 peak 647 volume 0.3507144e+07 hpm1 117.636 ppm1 8.367 ppm2 4.398
!# peak 648-----------------------------------------------
assi (attr store1 < 4.461 and attr store1 > 4.361)
    ((attr store1 < 7.727 and attr store1 > 7.627)
     and bondedto (attr store1 < 118.115 and attr store1 > 117.115))
6 6 0 peak 648 volume 12548280 hpm1 117.615 ppm1 7.677 ppm2 4.411
!# peak 649-----------------------------------------------
assi (attr store1 < 4.45 and attr store1 > 4.35)
    ((attr store1 < 7.397 and attr store1 > 7.297)
     and bondedto (attr store1 < 118.160 and attr store1 > 117.160))
6 6 0 peak 649 volume 23168420 hpm1 117.660 ppm1 7.347 ppm2 4.4
!# peak 650-----------------------------------------------
assi (attr store1 < 4.284 and attr store1 > 4.184)
    ((attr store1 < 8.243 and attr store1 > 8.143)
     and bondedto (attr store1 < 118.099 and attr store1 > 117.099))
6 6 0 peak 650 volume 7422639 hpm1 117.599 ppm1 8.193 ppm2 4.234
!# peak 651-----------------------------------------------
assi (attr store1 < 4.233 and attr store1 > 4.133)
    ((attr store1 < 7.728 and attr store1 > 7.628)
     and bondedto (attr store1 < 118.112 and attr store1 > 117.112))
6 6 0 peak 651 volume 19546300 hpm1 117.612 ppm1 7.678 ppm2 4.183
!# peak 652-----------------------------------------------
assi (attr store1 < 4.094 and attr store1 > 3.994)
    ((attr store1 < 7.397 and attr store1 > 7.297)
     and bondedto (attr store1 < 118.158 and attr store1 > 117.158))
6 6 0 peak 652 volume 18682000 hpm1 117.658 ppm1 7.347 ppm2 4.044
!# peak 653-----------------------------------------------
assi (attr store1 < 4.067 and attr store1 > 3.967)
    ((attr store1 < 8.244 and attr store1 > 8.144)
     and bondedto (attr store1 < 118.093 and attr store1 > 117.093))
6 6 0 peak 653 volume 8006010 hpm1 117.593 ppm1 8.194 ppm2 4.017
!# peak 654-----------------------------------------------
assi (attr store1 < 3.968 and attr store1 > 3.868)
    ((attr store1 < 7.727 and attr store1 > 7.627)
     and bondedto (attr store1 < 118.111 and attr store1 > 117.111))
6 6 0 peak 654 volume 25718098 hpm1 117.611 ppm1 7.677 ppm2 3.918
!# peak 655-----------------------------------------------
assi (attr store1 < 3.874 and attr store1 > 3.774)
    ((attr store1 < 8.242 and attr store1 > 8.142)
     and bondedto (attr store1 < 118.101 and attr store1 > 117.101))
6 6 0 peak 655 volume 18880750 hpm1 117.601 ppm1 8.192 ppm2 3.824
!# peak 656-----------------------------------------------
assi (attr store1 < 3.877 and attr store1 > 3.777)
    ((attr store1 < 7.400 and attr store1 > 7.300)
     and bondedto (attr store1 < 118.133 and attr store1 > 117.133))
6 6 0 peak 656 volume 1110277 hpm1 117.633 ppm1 7.350 ppm2 3.827
!# peak 657-----------------------------------------------
assi (attr store1 < 3.683 and attr store1 > 3.583)
    ((attr store1 < 8.243 and attr store1 > 8.143)
     and bondedto (attr store1 < 118.088 and attr store1 > 117.088))
6 6 0 peak 657 volume 6454723 hpm1 117.588 ppm1 8.193 ppm2 3.633
!# peak 658-----------------------------------------------
assi (attr store1 < 3.661 and attr store1 > 3.561)
    ((attr store1 < 7.729 and attr store1 > 7.629)
     and bondedto (attr store1 < 118.109 and attr store1 > 117.109))
6 6 0 peak 658 volume 1813971 hpm1 117.609 ppm1 7.679 ppm2 3.611
!# peak 659-----------------------------------------------
assi (attr store1 < 3.061 and attr store1 > 2.961)
    ((attr store1 < 7.397 and attr store1 > 7.297)
     and bondedto (attr store1 < 118.158 and attr store1 > 117.158))
6 6 0 peak 659 volume 5002932 hpm1 117.658 ppm1 7.347 ppm2 3.011
!# peak 660-----------------------------------------------
assi (attr store1 < 2.845 and attr store1 > 2.745)
    ((attr store1 < 8.416 and attr store1 > 8.316)
     and bondedto (attr store1 < 118.141 and attr store1 > 117.141))
6 6 0 peak 660 volume 1138731 hpm1 117.641 ppm1 8.366 ppm2 2.795
!# peak 661-----------------------------------------------
assi (attr store1 < 2.849 and attr store1 > 2.749)
    ((attr store1 < 7.396 and attr store1 > 7.296)
     and bondedto (attr store1 < 118.174 and attr store1 > 117.174))
6 6 0 peak 661 volume 15696010 hpm1 117.674 ppm1 7.346 ppm2 2.799
!# peak 662-----------------------------------------------
assi (attr store1 < 2.74 and attr store1 > 2.64)
    ((attr store1 < 7.395 and attr store1 > 7.295)
     and bondedto (attr store1 < 118.077 and attr store1 > 117.077))
6 6 0 peak 662 volume 9749771 hpm1 117.577 ppm1 7.345 ppm2 2.69
!# peak 663-----------------------------------------------
assi (attr store1 < 2.382 and attr store1 > 2.282)
    ((attr store1 < 7.398 and attr store1 > 7.298)
     and bondedto (attr store1 < 118.176 and attr store1 > 117.176))
6 6 0 peak 663 volume 8881340 hpm1 117.676 ppm1 7.348 ppm2 2.332
!# peak 664-----------------------------------------------
assi (attr store1 < 2.201 and attr store1 > 2.101)
    ((attr store1 < 7.730 and attr store1 > 7.630)
     and bondedto (attr store1 < 118.110 and attr store1 > 117.110))
6 6 0 peak 664 volume 2461171 hpm1 117.610 ppm1 7.680 ppm2 2.151
!# peak 665-----------------------------------------------
assi (attr store1 < 2.029 and attr store1 > 1.929)
    ((attr store1 < 7.727 and attr store1 > 7.627)
     and bondedto (attr store1 < 118.111 and attr store1 > 117.111))
6 6 0 peak 665 volume 6625526 hpm1 117.611 ppm1 7.677 ppm2 1.979
!# peak 666-----------------------------------------------
assi (attr store1 < 1.93 and attr store1 > 1.83)
    ((attr store1 < 7.397 and attr store1 > 7.297)
     and bondedto (attr store1 < 118.161 and attr store1 > 117.161))
6 6 0 peak 666 volume 58598144 hpm1 117.661 ppm1 7.347 ppm2 1.88
!# peak 667-----------------------------------------------
assi (attr store1 < 1.892 and attr store1 > 1.792)
    ((attr store1 < 7.729 and attr store1 > 7.629)
     and bondedto (attr store1 < 118.116 and attr store1 > 117.116))
6 6 0 peak 667 volume 9653141 hpm1 117.616 ppm1 7.679 ppm2 1.842
!# peak 668-----------------------------------------------
assi (attr store1 < 1.614 and attr store1 > 1.514)
    ((attr store1 < 7.398 and attr store1 > 7.298)
     and bondedto (attr store1 < 118.159 and attr store1 > 117.159))
6 6 0 peak 668 volume 22065210 hpm1 117.659 ppm1 7.348 ppm2 1.564
!# peak 669-----------------------------------------------
assi (attr store1 < 1.427 and attr store1 > 1.327)
    ((attr store1 < 8.249 and attr store1 > 8.149)
     and bondedto (attr store1 < 118.094 and attr store1 > 117.094))
6 6 0 peak 669 volume 38851432 hpm1 117.594 ppm1 8.199 ppm2 1.377
!# peak 670-----------------------------------------------
assi (attr store1 < 1.365 and attr store1 > 1.265)
    ((attr store1 < 7.402 and attr store1 > 7.302)
     and bondedto (attr store1 < 118.135 and attr store1 > 117.135))
6 6 0 peak 670 volume 0.1605298e+07 hpm1 117.635 ppm1 7.352 ppm2 1.315
!# peak 671-----------------------------------------------
assi (attr store1 < 1.165 and attr store1 > 1.065)
    ((attr store1 < 8.243 and attr store1 > 8.143)
     and bondedto (attr store1 < 118.096 and attr store1 > 117.096))
6 6 0 peak 671 volume 14032871 hpm1 117.596 ppm1 8.193 ppm2 1.115
!# peak 672-----------------------------------------------
assi (attr store1 < 2.099 and attr store1 > 1.999)
    ((attr store1 < 7.397 and attr store1 > 7.297)
     and bondedto (attr store1 < 118.103 and attr store1 > 117.103))
6 6 0 peak 672 volume 6991164 hpm1 117.603 ppm1 7.347 ppm2 2.049
!# peak 673-----------------------------------------------
assi (attr store1 < 0.807 and attr store1 > 0.707)
    ((attr store1 < 8.243 and attr store1 > 8.143)
     and bondedto (attr store1 < 118.101 and attr store1 > 117.101))
6 6 0 peak 673 volume 14753219 hpm1 117.601 ppm1 8.193 ppm2 0.757
!# peak 674-----------------------------------------------
assi (attr store1 < 0.406 and attr store1 > 0.306)
    ((attr store1 < 8.242 and attr store1 > 8.142)
     and bondedto (attr store1 < 118.113 and attr store1 > 117.113))
6 6 0 peak 674 volume 3203412 hpm1 117.613 ppm1 8.192 ppm2 0.356
!# peak 676-----------------------------------------------
assi (attr store1 < 8.106 and attr store1 > 8.006)
    ((attr store1 < 7.787 and attr store1 > 7.687)
     and bondedto (attr store1 < 117.966 and attr store1 > 116.966))
6 6 0 peak 676 volume 1491957 hpm1 117.466 ppm1 7.737 ppm2 8.056
!# peak 677-----------------------------------------------
assi (attr store1 < 8.482 and attr store1 > 8.382)
    ((attr store1 < 8.102 and attr store1 > 8.002)
     and bondedto (attr store1 < 117.704 and attr store1 > 116.704))
6 6 0 peak 677 volume 9374695 hpm1 117.204 ppm1 8.052 ppm2 8.432
!# peak 680-----------------------------------------------
assi (attr store1 < 4.586 and attr store1 > 4.486)
    ((attr store1 < 8.096 and attr store1 > 7.996)
     and bondedto (attr store1 < 117.708 and attr store1 > 116.708))
6 6 0 peak 680 volume 5194325 hpm1 117.208 ppm1 8.046 ppm2 4.536
!# peak 681-----------------------------------------------
assi (attr store1 < 4.383 and attr store1 > 4.283)
    ((attr store1 < 8.093 and attr store1 > 7.993)
     and bondedto (attr store1 < 117.695 and attr store1 > 116.695))
6 6 0 peak 681 volume 14392950 hpm1 117.195 ppm1 8.043 ppm2 4.333
!# peak 682-----------------------------------------------
assi (attr store1 < 3.027 and attr store1 > 2.927)
    ((attr store1 < 8.098 and attr store1 > 7.998)
     and bondedto (attr store1 < 117.701 and attr store1 > 116.701))
6 6 0 peak 682 volume 1582250 hpm1 117.201 ppm1 8.048 ppm2 2.977
!# peak 683-----------------------------------------------
assi (attr store1 < 8.296 and attr store1 > 8.196)
    ((attr store1 < 8.092 and attr store1 > 7.992)
     and bondedto (attr store1 < 117.525 and attr store1 > 116.525))
6 6 0 peak 683 volume 25752130 hpm1 117.025 ppm1 8.042 ppm2 8.246
!# peak 684-----------------------------------------------
assi (attr store1 < 8.495 and attr store1 > 8.395)
    ((attr store1 < 7.285 and attr store1 > 7.185)
     and bondedto (attr store1 < 117.505 and attr store1 > 116.505))
6 6 0 peak 684 volume 20103670 hpm1 117.005 ppm1 7.235 ppm2 8.445
!# peak 685-----------------------------------------------
assi (attr store1 < 8.281 and attr store1 > 8.181)
    ((attr store1 < 7.186 and attr store1 > 7.086)
     and bondedto (attr store1 < 117.539 and attr store1 > 116.539))
6 6 0 peak 685 volume 25480152 hpm1 117.039 ppm1 7.136 ppm2 8.231
!# peak 687-----------------------------------------------
assi (attr store1 < 7.956 and attr store1 > 7.856)
    ((attr store1 < 7.187 and attr store1 > 7.087)
     and bondedto (attr store1 < 117.518 and attr store1 > 116.518))
6 6 0 peak 687 volume 0.277997e+07 hpm1 117.018 ppm1 7.137 ppm2 7.906
!# peak 688-----------------------------------------------
assi (attr store1 < 7.638 and attr store1 > 7.538)
    ((attr store1 < 7.286 and attr store1 > 7.186)
     and bondedto (attr store1 < 117.515 and attr store1 > 116.515))
6 6 0 peak 688 volume 31742362 hpm1 117.015 ppm1 7.236 ppm2 7.588
!# peak 689-----------------------------------------------
assi (attr store1 < 7.61 and attr store1 > 7.51)
    ((attr store1 < 8.093 and attr store1 > 7.993)
     and bondedto (attr store1 < 117.580 and attr store1 > 116.580))
6 6 0 peak 689 volume 25913140 hpm1 117.080 ppm1 8.043 ppm2 7.56
!# peak 690-----------------------------------------------
assi (attr store1 < 7.456 and attr store1 > 7.356)
    ((attr store1 < 7.190 and attr store1 > 7.090)
     and bondedto (attr store1 < 117.509 and attr store1 > 116.509))
6 6 0 peak 690 volume 18348170 hpm1 117.009 ppm1 7.140 ppm2 7.406
!# peak 691-----------------------------------------------
assi (attr store1 < 6.613 and attr store1 > 6.513)
    ((attr store1 < 7.180 and attr store1 > 7.080)
     and bondedto (attr store1 < 117.573 and attr store1 > 116.573))
6 6 0 peak 691 volume 1027674 hpm1 117.073 ppm1 7.130 ppm2 6.563
!# peak 692-----------------------------------------------
assi (attr store1 < 5.039 and attr store1 > 4.939)
    ((attr store1 < 7.283 and attr store1 > 7.183)
     and bondedto (attr store1 < 117.518 and attr store1 > 116.518))
6 6 0 peak 692 volume 6830746 hpm1 117.018 ppm1 7.233 ppm2 4.989
!# peak 694-----------------------------------------------
assi (attr store1 < 4.448 and attr store1 > 4.348)
    ((attr store1 < 7.188 and attr store1 > 7.088)
     and bondedto (attr store1 < 117.538 and attr store1 > 116.538))
6 6 0 peak 694 volume 13455160 hpm1 117.038 ppm1 7.138 ppm2 4.398
!# peak 695-----------------------------------------------
assi (attr store1 < 4.417 and attr store1 > 4.317)
    ((attr store1 < 7.282 and attr store1 > 7.182)
     and bondedto (attr store1 < 117.518 and attr store1 > 116.518))
6 6 0 peak 695 volume 12027930 hpm1 117.018 ppm1 7.232 ppm2 4.367
!# peak 696-----------------------------------------------
assi (attr store1 < 4.22 and attr store1 > 4.12)
    ((attr store1 < 7.285 and attr store1 > 7.185)
     and bondedto (attr store1 < 117.513 and attr store1 > 116.513))
6 6 0 peak 696 volume 22802010 hpm1 117.013 ppm1 7.235 ppm2 4.17
!# peak 697-----------------------------------------------
assi (attr store1 < 3.183 and attr store1 > 3.083)
    ((attr store1 < 7.189 and attr store1 > 7.089)
     and bondedto (attr store1 < 117.564 and attr store1 > 116.564))
6 6 0 peak 697 volume 5660637 hpm1 117.064 ppm1 7.139 ppm2 3.133
!# peak 698-----------------------------------------------
assi (attr store1 < 3.97 and attr store1 > 3.87)
    ((attr store1 < 8.094 and attr store1 > 7.994)
     and bondedto (attr store1 < 117.539 and attr store1 > 116.539))
6 6 0 peak 698 volume 27482160 hpm1 117.039 ppm1 8.044 ppm2 3.92
!# peak 699-----------------------------------------------
assi (attr store1 < 3.065 and attr store1 > 2.965)
    ((attr store1 < 7.288 and attr store1 > 7.188)
     and bondedto (attr store1 < 117.557 and attr store1 > 116.557))
6 6 0 peak 699 volume 2217141 hpm1 117.057 ppm1 7.238 ppm2 3.015
!# peak 700-----------------------------------------------
assi (attr store1 < 3.277 and attr store1 > 3.177)
    ((attr store1 < 8.097 and attr store1 > 7.997)
     and bondedto (attr store1 < 117.547 and attr store1 > 116.547))
6 6 0 peak 700 volume 5003041 hpm1 117.047 ppm1 8.047 ppm2 3.227
!# peak 701-----------------------------------------------
assi (attr store1 < 3.286 and attr store1 > 3.186)
    ((attr store1 < 7.285 and attr store1 > 7.185)
     and bondedto (attr store1 < 117.515 and attr store1 > 116.515))
6 6 0 peak 701 volume 4678582 hpm1 117.015 ppm1 7.235 ppm2 3.236
!# peak 702-----------------------------------------------
assi (attr store1 < 2.942 and attr store1 > 2.842)
    ((attr store1 < 7.187 and attr store1 > 7.087)
     and bondedto (attr store1 < 117.532 and attr store1 > 116.532))
6 6 0 peak 702 volume 10374100 hpm1 117.032 ppm1 7.137 ppm2 2.892
!# peak 703-----------------------------------------------
assi (attr store1 < 2.61 and attr store1 > 2.51)
    ((attr store1 < 7.281 and attr store1 > 7.181)
     and bondedto (attr store1 < 117.512 and attr store1 > 116.512))
6 6 0 peak 703 volume 3973157 hpm1 117.012 ppm1 7.231 ppm2 2.56
!# peak 704-----------------------------------------------
assi (attr store1 < 2.576 and attr store1 > 2.476)
    ((attr store1 < 8.093 and attr store1 > 7.993)
     and bondedto (attr store1 < 117.590 and attr store1 > 116.590))
6 6 0 peak 704 volume 61667920 hpm1 117.090 ppm1 8.043 ppm2 2.526
!# peak 705-----------------------------------------------
assi (attr store1 < 2.389 and attr store1 > 2.289)
    ((attr store1 < 7.187 and attr store1 > 7.087)
     and bondedto (attr store1 < 117.541 and attr store1 > 116.541))
6 6 0 peak 705 volume 13032970 hpm1 117.041 ppm1 7.137 ppm2 2.339
!# peak 706-----------------------------------------------
assi (attr store1 < 2.245 and attr store1 > 2.145)
    ((attr store1 < 7.285 and attr store1 > 7.185)
     and bondedto (attr store1 < 117.511 and attr store1 > 116.511))
6 6 0 peak 706 volume 12517101 hpm1 117.011 ppm1 7.235 ppm2 2.195
!# peak 707-----------------------------------------------
assi (attr store1 < 2.047 and attr store1 > 1.947)
    ((attr store1 < 8.096 and attr store1 > 7.996)
     and bondedto (attr store1 < 117.529 and attr store1 > 116.529))
6 6 0 peak 707 volume 90298440 hpm1 117.029 ppm1 8.046 ppm2 1.997
!# peak 708-----------------------------------------------
assi (attr store1 < 1.926 and attr store1 > 1.826)
    ((attr store1 < 7.285 and attr store1 > 7.185)
     and bondedto (attr store1 < 117.508 and attr store1 > 116.508))
6 6 0 peak 708 volume 61076520 hpm1 117.008 ppm1 7.235 ppm2 1.876
!# peak 709-----------------------------------------------
assi (attr store1 < 1.705 and attr store1 > 1.605)
    ((attr store1 < 8.093 and attr store1 > 7.993)
     and bondedto (attr store1 < 117.559 and attr store1 > 116.559))
6 6 0 peak 709 volume 5475114 hpm1 117.059 ppm1 8.043 ppm2 1.655
!# peak 710-----------------------------------------------
assi (attr store1 < 1.696 and attr store1 > 1.596)
    ((attr store1 < 7.287 and attr store1 > 7.187)
     and bondedto (attr store1 < 117.511 and attr store1 > 116.511))
6 6 0 peak 710 volume 12784030 hpm1 117.011 ppm1 7.237 ppm2 1.646
!# peak 711-----------------------------------------------
assi (attr store1 < 1.506 and attr store1 > 1.406)
    ((attr store1 < 7.188 and attr store1 > 7.088)
     and bondedto (attr store1 < 117.539 and attr store1 > 116.539))
6 6 0 peak 711 volume 6426657 hpm1 117.039 ppm1 7.138 ppm2 1.456
!# peak 712-----------------------------------------------
assi (attr store1 < 1.444 and attr store1 > 1.344)
    ((attr store1 < 8.095 and attr store1 > 7.995)
     and bondedto (attr store1 < 117.643 and attr store1 > 116.643))
6 6 0 peak 712 volume 12233210 hpm1 117.143 ppm1 8.045 ppm2 1.394
!# peak 713-----------------------------------------------
assi (attr store1 < 1.463 and attr store1 > 1.363)
    ((attr store1 < 7.284 and attr store1 > 7.184)
     and bondedto (attr store1 < 117.518 and attr store1 > 116.518))
6 6 0 peak 713 volume 12383390 hpm1 117.018 ppm1 7.234 ppm2 1.413
!# peak 714-----------------------------------------------
assi (attr store1 < 1.318 and attr store1 > 1.218)
    ((attr store1 < 7.185 and attr store1 > 7.085)
     and bondedto (attr store1 < 117.540 and attr store1 > 116.540))
6 6 0 peak 714 volume 2473515 hpm1 117.040 ppm1 7.135 ppm2 1.268
!# peak 715-----------------------------------------------
assi (attr store1 < 1.132 and attr store1 > 1.032)
    ((attr store1 < 7.282 and attr store1 > 7.182)
     and bondedto (attr store1 < 117.532 and attr store1 > 116.532))
6 6 0 peak 715 volume 1042015 hpm1 117.032 ppm1 7.232 ppm2 1.082
!# peak 716-----------------------------------------------
assi (attr store1 < 1.038 and attr store1 > 0.938)
    ((attr store1 < 8.096 and attr store1 > 7.996)
     and bondedto (attr store1 < 117.520 and attr store1 > 116.520))
6 6 0 peak 716 volume 1176965 hpm1 117.020 ppm1 8.046 ppm2 0.988
!# peak 717-----------------------------------------------
assi (attr store1 < 0.818 and attr store1 > 0.718)
    ((attr store1 < 8.093 and attr store1 > 7.993)
     and bondedto (attr store1 < 117.585 and attr store1 > 116.585))
6 6 0 peak 717 volume 2083246 hpm1 117.085 ppm1 8.043 ppm2 0.768
!# peak 718-----------------------------------------------
assi (attr store1 < 2.262 and attr store1 > 2.162)
    ((attr store1 < 8.096 and attr store1 > 7.996)
     and bondedto (attr store1 < 117.527 and attr store1 > 116.527))
6 6 0 peak 718 volume 61642772 hpm1 117.027 ppm1 8.046 ppm2 2.212
!# peak 719-----------------------------------------------
assi (attr store1 < 0.492 and attr store1 > 0.392)
    ((attr store1 < 7.282 and attr store1 > 7.182)
     and bondedto (attr store1 < 117.510 and attr store1 > 116.510))
6 6 0 peak 719 volume 0.9381359e+06 hpm1 117.010 ppm1 7.232 ppm2 0.442
!# peak 720-----------------------------------------------
assi (attr store1 < 1.328 and attr store1 > 1.228)
    ((attr store1 < 7.293 and attr store1 > 7.193)
     and bondedto (attr store1 < 117.518 and attr store1 > 116.518))
6 6 0 peak 720 volume 2623289 hpm1 117.018 ppm1 7.243 ppm2 1.278
!# peak 721-----------------------------------------------
assi (attr store1 < 8.497 and attr store1 > 8.397)
    ((attr store1 < 7.613 and attr store1 > 7.513)
     and bondedto (attr store1 < 117.321 and attr store1 > 116.321))
6 6 0 peak 721 volume 5981915 hpm1 116.821 ppm1 7.563 ppm2 8.447
!# peak 722-----------------------------------------------
assi (attr store1 < 8.233 and attr store1 > 8.133)
    ((attr store1 < 7.608 and attr store1 > 7.508)
     and bondedto (attr store1 < 117.366 and attr store1 > 116.366))
6 6 0 peak 722 volume 38878692 hpm1 116.866 ppm1 7.558 ppm2 8.183
!# peak 723-----------------------------------------------
assi (attr store1 < 6.952 and attr store1 > 6.852)
    ((attr store1 < 7.619 and attr store1 > 7.519)
     and bondedto (attr store1 < 117.360 and attr store1 > 116.360))
6 6 0 peak 723 volume 4713137 hpm1 116.860 ppm1 7.569 ppm2 6.902
!# peak 724-----------------------------------------------
assi (attr store1 < 7.016 and attr store1 > 6.916)
    ((attr store1 < 8.091 and attr store1 > 7.991)
     and bondedto (attr store1 < 117.477 and attr store1 > 116.477))
6 6 0 peak 724 volume 2241236 hpm1 116.977 ppm1 8.041 ppm2 6.966
!# peak 725-----------------------------------------------
assi (attr store1 < 5.041 and attr store1 > 4.941)
    ((attr store1 < 7.609 and attr store1 > 7.509)
     and bondedto (attr store1 < 117.363 and attr store1 > 116.363))
6 6 0 peak 725 volume 8975819 hpm1 116.863 ppm1 7.559 ppm2 4.991
!# peak 726-----------------------------------------------
assi (attr store1 < 1.658 and attr store1 > 1.558)
    ((attr store1 < 7.610 and attr store1 > 7.510)
     and bondedto (attr store1 < 117.354 and attr store1 > 116.354))
6 6 0 peak 726 volume 71452120 hpm1 116.854 ppm1 7.560 ppm2 1.608
!# peak 727-----------------------------------------------
assi (attr store1 < 1.461 and attr store1 > 1.361)
    ((attr store1 < 7.611 and attr store1 > 7.511)
     and bondedto (attr store1 < 117.353 and attr store1 > 116.353))
6 6 0 peak 727 volume 42807128 hpm1 116.853 ppm1 7.561 ppm2 1.411
!# peak 728-----------------------------------------------
assi (attr store1 < 1.131 and attr store1 > 1.031)
    ((attr store1 < 7.609 and attr store1 > 7.509)
     and bondedto (attr store1 < 117.358 and attr store1 > 116.358))
6 6 0 peak 728 volume 28159698 hpm1 116.858 ppm1 7.559 ppm2 1.081
!# peak 729-----------------------------------------------
assi (attr store1 < 0.497 and attr store1 > 0.397)
    ((attr store1 < 7.609 and attr store1 > 7.509)
     and bondedto (attr store1 < 117.361 and attr store1 > 116.361))
6 6 0 peak 729 volume 0.724785e+07 hpm1 116.861 ppm1 7.559 ppm2 0.447
!# peak 730-----------------------------------------------
assi (attr store1 < 0.134 and attr store1 > 0.035)
    ((attr store1 < 7.609 and attr store1 > 7.509)
     and bondedto (attr store1 < 117.357 and attr store1 > 116.357))
6 6 0 peak 730 volume 7889605 hpm1 116.857 ppm1 7.559 ppm2 0.084
!# peak 732-----------------------------------------------
assi (attr store1 < 7.982 and attr store1 > 7.882)
    ((attr store1 < 7.673 and attr store1 > 7.573)
     and bondedto (attr store1 < 117.215 and attr store1 > 116.215))
6 6 0 peak 732 volume 41846188 hpm1 116.715 ppm1 7.623 ppm2 7.932
!# peak 735-----------------------------------------------
assi (attr store1 < 7.613 and attr store1 > 7.513)
    ((attr store1 < 8.471 and attr store1 > 8.371)
     and bondedto (attr store1 < 117.186 and attr store1 > 116.186))
6 6 0 peak 735 volume 0.6105583e+07 hpm1 116.686 ppm1 8.421 ppm2 7.563
!# peak 736-----------------------------------------------
assi (attr store1 < 7.321 and attr store1 > 7.221)
    ((attr store1 < 8.468 and attr store1 > 8.368)
     and bondedto (attr store1 < 117.173 and attr store1 > 116.173))
6 6 0 peak 736 volume 19226560 hpm1 116.673 ppm1 8.418 ppm2 7.271
!# peak 737-----------------------------------------------
assi (attr store1 < 8.478 and attr store1 > 8.378)
    ((attr store1 < 7.667 and attr store1 > 7.567)
     and bondedto (attr store1 < 117.227 and attr store1 > 116.227))
6 6 0 peak 737 volume 4710999 hpm1 116.727 ppm1 7.617 ppm2 8.428
!# peak 738-----------------------------------------------
assi (attr store1 < 5.04 and attr store1 > 4.94)
    ((attr store1 < 8.469 and attr store1 > 8.369)
     and bondedto (attr store1 < 117.175 and attr store1 > 116.175))
6 6 0 peak 738 volume 16920650 hpm1 116.675 ppm1 8.419 ppm2 4.99
!# peak 740-----------------------------------------------
assi (attr store1 < 4.395 and attr store1 > 4.295)
    ((attr store1 < 8.468 and attr store1 > 8.368)
     and bondedto (attr store1 < 117.175 and attr store1 > 116.175))
6 6 0 peak 740 volume 10884250 hpm1 116.675 ppm1 8.418 ppm2 4.345
!# peak 741-----------------------------------------------
assi (attr store1 < 4.219 and attr store1 > 4.119)
    ((attr store1 < 7.670 and attr store1 > 7.570)
     and bondedto (attr store1 < 117.223 and attr store1 > 116.223))
6 6 0 peak 741 volume 50251256 hpm1 116.723 ppm1 7.620 ppm2 4.169
!# peak 742-----------------------------------------------
assi (attr store1 < 4.039 and attr store1 > 3.939)
    ((attr store1 < 8.468 and attr store1 > 8.368)
     and bondedto (attr store1 < 117.171 and attr store1 > 116.171))
6 6 0 peak 742 volume 9796786 hpm1 116.671 ppm1 8.418 ppm2 3.989
!# peak 743-----------------------------------------------
assi (attr store1 < 3.414 and attr store1 > 3.314)
    ((attr store1 < 7.674 and attr store1 > 7.574)
     and bondedto (attr store1 < 117.216 and attr store1 > 116.216))
6 6 0 peak 743 volume 2930147 hpm1 116.716 ppm1 7.624 ppm2 3.364
!# peak 744-----------------------------------------------
assi (attr store1 < 3.279 and attr store1 > 3.179)
    ((attr store1 < 8.469 and attr store1 > 8.369)
     and bondedto (attr store1 < 117.173 and attr store1 > 116.173))
6 6 0 peak 744 volume 12413180 hpm1 116.673 ppm1 8.419 ppm2 3.229
!# peak 745-----------------------------------------------
assi (attr store1 < 3.283 and attr store1 > 3.183)
    ((attr store1 < 7.670 and attr store1 > 7.570)
     and bondedto (attr store1 < 117.226 and attr store1 > 116.226))
6 6 0 peak 745 volume 8092968 hpm1 116.726 ppm1 7.620 ppm2 3.233
!# peak 746-----------------------------------------------
assi (attr store1 < 3.059 and attr store1 > 2.959)
    ((attr store1 < 8.470 and attr store1 > 8.370)
     and bondedto (attr store1 < 117.174 and attr store1 > 116.174))
6 6 0 peak 746 volume 10981910 hpm1 116.674 ppm1 8.420 ppm2 3.009
!# peak 747-----------------------------------------------
assi (attr store1 < 2.919 and attr store1 > 2.819)
    ((attr store1 < 7.672 and attr store1 > 7.572)
     and bondedto (attr store1 < 117.211 and attr store1 > 116.211))
6 6 0 peak 747 volume 6421517 hpm1 116.711 ppm1 7.622 ppm2 2.869
!# peak 748-----------------------------------------------
assi (attr store1 < 2.614 and attr store1 > 2.514)
    ((attr store1 < 8.469 and attr store1 > 8.369)
     and bondedto (attr store1 < 117.168 and attr store1 > 116.168))
6 6 0 peak 748 volume 16869840 hpm1 116.668 ppm1 8.419 ppm2 2.564
!# peak 749-----------------------------------------------
assi (attr store1 < 2.252 and attr store1 > 2.152)
    ((attr store1 < 8.469 and attr store1 > 8.369)
     and bondedto (attr store1 < 117.170 and attr store1 > 116.170))
6 6 0 peak 749 volume 43791648 hpm1 116.670 ppm1 8.419 ppm2 2.202
!# peak 750-----------------------------------------------
assi (attr store1 < 2.439 and attr store1 > 2.339)
    ((attr store1 < 8.470 and attr store1 > 8.370)
     and bondedto (attr store1 < 117.159 and attr store1 > 116.159))
6 6 0 peak 750 volume 14508671 hpm1 116.659 ppm1 8.420 ppm2 2.389
!# peak 751-----------------------------------------------
assi (attr store1 < 1.907 and attr store1 > 1.807)
    ((attr store1 < 7.670 and attr store1 > 7.570)
     and bondedto (attr store1 < 117.223 and attr store1 > 116.223))
6 6 0 peak 751 volume 106764000 hpm1 116.723 ppm1 7.620 ppm2 1.857
!# peak 752-----------------------------------------------
assi (attr store1 < 1.344 and attr store1 > 1.244)
    ((attr store1 < 8.468 and attr store1 > 8.368)
     and bondedto (attr store1 < 117.178 and attr store1 > 116.178))
6 6 0 peak 752 volume 2847063 hpm1 116.678 ppm1 8.418 ppm2 1.294
!# peak 753-----------------------------------------------
assi (attr store1 < 1.498 and attr store1 > 1.398)
    ((attr store1 < 7.666 and attr store1 > 7.566)
     and bondedto (attr store1 < 117.220 and attr store1 > 116.220))
6 6 0 peak 753 volume 52867092 hpm1 116.720 ppm1 7.616 ppm2 1.448
!# peak 754-----------------------------------------------
assi (attr store1 < 1.481 and attr store1 > 1.381)
    ((attr store1 < 8.470 and attr store1 > 8.370)
     and bondedto (attr store1 < 117.176 and attr store1 > 116.176))
6 6 0 peak 754 volume 12389710 hpm1 116.676 ppm1 8.420 ppm2 1.431
!# peak 755-----------------------------------------------
assi (attr store1 < 0.502 and attr store1 > 0.402)
    ((attr store1 < 7.675 and attr store1 > 7.575)
     and bondedto (attr store1 < 117.214 and attr store1 > 116.214))
6 6 0 peak 755 volume 5873379 hpm1 116.714 ppm1 7.625 ppm2 0.452
!# peak 756-----------------------------------------------
assi (attr store1 < 0.793 and attr store1 > 0.693)
    ((attr store1 < 8.467 and attr store1 > 8.367)
     and bondedto (attr store1 < 117.181 and attr store1 > 116.181))
6 6 0 peak 756 volume 1056983 hpm1 116.681 ppm1 8.417 ppm2 0.743
!# peak 757-----------------------------------------------
assi (attr store1 < 9.121 and attr store1 > 9.021)
    ((attr store1 < 8.614 and attr store1 > 8.514)
     and bondedto (attr store1 < 116.790 and attr store1 > 115.790))
6 6 0 peak 757 volume 0.192355e+07 hpm1 116.290 ppm1 8.564 ppm2 9.071
!# peak 758-----------------------------------------------
assi (attr store1 < 8.563 and attr store1 > 8.463)
    ((attr store1 < 8.301 and attr store1 > 8.201)
     and bondedto (attr store1 < 116.855 and attr store1 > 115.855))
6 6 0 peak 758 volume 35243920 hpm1 116.355 ppm1 8.251 ppm2 8.513
!# peak 760-----------------------------------------------
assi (attr store1 < 8.089 and attr store1 > 7.989)
    ((attr store1 < 8.335 and attr store1 > 8.235)
     and bondedto (attr store1 < 116.777 and attr store1 > 115.777))
6 6 0 peak 760 volume 15050329 hpm1 116.277 ppm1 8.285 ppm2 8.039
!# peak 761-----------------------------------------------
assi (attr store1 < 7.839 and attr store1 > 7.739)
    ((attr store1 < 8.302 and attr store1 > 8.202)
     and bondedto (attr store1 < 116.854 and attr store1 > 115.854))
6 6 0 peak 761 volume 15570270 hpm1 116.354 ppm1 8.252 ppm2 7.789
!# peak 763-----------------------------------------------
assi (attr store1 < 7.506 and attr store1 > 7.406)
    ((attr store1 < 8.338 and attr store1 > 8.238)
     and bondedto (attr store1 < 116.796 and attr store1 > 115.796))
6 6 0 peak 763 volume 2151455 hpm1 116.296 ppm1 8.288 ppm2 7.456
!# peak 764-----------------------------------------------
assi (attr store1 < 6.967 and attr store1 > 6.867)
    ((attr store1 < 8.304 and attr store1 > 8.204)
     and bondedto (attr store1 < 116.843 and attr store1 > 115.843))
6 6 0 peak 764 volume 2688861 hpm1 116.343 ppm1 8.254 ppm2 6.917
!# peak 765-----------------------------------------------
assi (attr store1 < 6.884 and attr store1 > 6.784)
    ((attr store1 < 8.346 and attr store1 > 8.246)
     and bondedto (attr store1 < 116.785 and attr store1 > 115.785))
6 6 0 peak 765 volume 2054519 hpm1 116.285 ppm1 8.296 ppm2 6.834
!# peak 767-----------------------------------------------
assi (attr store1 < 4.514 and attr store1 > 4.414)
    ((attr store1 < 8.337 and attr store1 > 8.237)
     and bondedto (attr store1 < 116.768 and attr store1 > 115.768))
6 6 0 peak 767 volume 61171020 hpm1 116.268 ppm1 8.287 ppm2 4.464
!# peak 768-----------------------------------------------
assi (attr store1 < 4.322 and attr store1 > 4.222)
    ((attr store1 < 8.619 and attr store1 > 8.519)
     and bondedto (attr store1 < 116.776 and attr store1 > 115.776))
6 6 0 peak 768 volume 1285051 hpm1 116.276 ppm1 8.569 ppm2 4.272
!# peak 769-----------------------------------------------
assi (attr store1 < 4.198 and attr store1 > 4.098)
    ((attr store1 < 8.302 and attr store1 > 8.202)
     and bondedto (attr store1 < 116.852 and attr store1 > 115.852))
6 6 0 peak 769 volume 32375758 hpm1 116.352 ppm1 8.252 ppm2 4.148
!# peak 770-----------------------------------------------
assi (attr store1 < 3.964 and attr store1 > 3.864)
    ((attr store1 < 8.616 and attr store1 > 8.516)
     and bondedto (attr store1 < 116.752 and attr store1 > 115.752))
6 6 0 peak 770 volume 12478950 hpm1 116.252 ppm1 8.566 ppm2 3.914
!# peak 771-----------------------------------------------
assi (attr store1 < 3.89 and attr store1 > 3.79)
    ((attr store1 < 8.305 and attr store1 > 8.205)
     and bondedto (attr store1 < 116.844 and attr store1 > 115.844))
6 6 0 peak 771 volume 18458130 hpm1 116.344 ppm1 8.255 ppm2 3.84
!# peak 772-----------------------------------------------
assi (attr store1 < 3.414 and attr store1 > 3.314)
    ((attr store1 < 8.310 and attr store1 > 8.210)
     and bondedto (attr store1 < 116.853 and attr store1 > 115.853))
6 6 0 peak 772 volume 52438032 hpm1 116.353 ppm1 8.260 ppm2 3.364
!# peak 773-----------------------------------------------
assi (attr store1 < 2.753 and attr store1 > 2.653)
    ((attr store1 < 8.336 and attr store1 > 8.236)
     and bondedto (attr store1 < 116.774 and attr store1 > 115.774))
6 6 0 peak 773 volume 18961080 hpm1 116.274 ppm1 8.286 ppm2 2.703
!# peak 774-----------------------------------------------
assi (attr store1 < 2.219 and attr store1 > 2.119)
    ((attr store1 < 8.336 and attr store1 > 8.236)
     and bondedto (attr store1 < 116.777 and attr store1 > 115.777))
6 6 0 peak 774 volume 16507401 hpm1 116.277 ppm1 8.286 ppm2 2.169
!# peak 775-----------------------------------------------
assi (attr store1 < 2.031 and attr store1 > 1.931)
    ((attr store1 < 8.337 and attr store1 > 8.237)
     and bondedto (attr store1 < 116.772 and attr store1 > 115.772))
6 6 0 peak 775 volume 22346340 hpm1 116.272 ppm1 8.287 ppm2 1.981
!# peak 776-----------------------------------------------
assi (attr store1 < 1.752 and attr store1 > 1.652)
    ((attr store1 < 8.303 and attr store1 > 8.203)
     and bondedto (attr store1 < 116.852 and attr store1 > 115.852))
6 6 0 peak 776 volume 28468590 hpm1 116.352 ppm1 8.253 ppm2 1.702
!# peak 777-----------------------------------------------
assi (attr store1 < 1.438 and attr store1 > 1.338)
    ((attr store1 < 8.307 and attr store1 > 8.207)
     and bondedto (attr store1 < 116.843 and attr store1 > 115.843))
6 6 0 peak 777 volume 6625936 hpm1 116.343 ppm1 8.257 ppm2 1.388
!# peak 778-----------------------------------------------
assi (attr store1 < 0.828 and attr store1 > 0.728)
    ((attr store1 < 8.331 and attr store1 > 8.231)
     and bondedto (attr store1 < 116.797 and attr store1 > 115.797))
6 6 0 peak 778 volume 8114208 hpm1 116.297 ppm1 8.281 ppm2 0.778
!# peak 779-----------------------------------------------
assi (attr store1 < 0.596 and attr store1 > 0.496)
    ((attr store1 < 8.309 and attr store1 > 8.209)
     and bondedto (attr store1 < 116.839 and attr store1 > 115.839))
6 6 0 peak 779 volume 2299338 hpm1 116.339 ppm1 8.259 ppm2 0.546
!# peak 780-----------------------------------------------
assi (attr store1 < 0.397 and attr store1 > 0.297)
    ((attr store1 < 8.302 and attr store1 > 8.202)
     and bondedto (attr store1 < 116.888 and attr store1 > 115.888))
6 6 0 peak 780 volume 1812897 hpm1 116.388 ppm1 8.252 ppm2 0.347
!# peak 781-----------------------------------------------
assi (attr store1 < 0.277 and attr store1 > 0.177)
    ((attr store1 < 8.613 and attr store1 > 8.513)
     and bondedto (attr store1 < 116.763 and attr store1 > 115.763))
6 6 0 peak 781 volume 4736214 hpm1 116.263 ppm1 8.563 ppm2 0.227
!# peak 784-----------------------------------------------
assi (attr store1 < 7.955 and attr store1 > 7.855)
    ((attr store1 < 8.615 and attr store1 > 8.515)
     and bondedto (attr store1 < 116.744 and attr store1 > 115.744))
6 6 0 peak 784 volume 14521240 hpm1 116.244 ppm1 8.565 ppm2 7.905
!# peak 785-----------------------------------------------
assi (attr store1 < 7.639 and attr store1 > 7.539)
    ((attr store1 < 8.203 and attr store1 > 8.103)
     and bondedto (attr store1 < 116.592 and attr store1 > 115.592))
6 6 0 peak 785 volume 34023520 hpm1 116.092 ppm1 8.153 ppm2 7.589
!# peak 786-----------------------------------------------
assi (attr store1 < 7.323 and attr store1 > 7.223)
    ((attr store1 < 8.201 and attr store1 > 8.101)
     and bondedto (attr store1 < 116.603 and attr store1 > 115.603))
6 6 0 peak 786 volume 4761202 hpm1 116.103 ppm1 8.151 ppm2 7.273
!# peak 787-----------------------------------------------
assi (attr store1 < 5.041 and attr store1 > 4.941)
    ((attr store1 < 8.204 and attr store1 > 8.104)
     and bondedto (attr store1 < 116.603 and attr store1 > 115.603))
6 6 0 peak 787 volume 23579780 hpm1 116.103 ppm1 8.154 ppm2 4.991
!# peak 788-----------------------------------------------
assi (attr store1 < 4.274 and attr store1 > 4.174)
    ((attr store1 < 8.204 and attr store1 > 8.104)
     and bondedto (attr store1 < 116.591 and attr store1 > 115.591))
6 6 0 peak 788 volume 37444560 hpm1 116.091 ppm1 8.154 ppm2 4.224
!# peak 789-----------------------------------------------
assi (attr store1 < 3.748 and attr store1 > 3.648)
    ((attr store1 < 8.616 and attr store1 > 8.516)
     and bondedto (attr store1 < 116.739 and attr store1 > 115.739))
6 6 0 peak 789 volume 17595850 hpm1 116.239 ppm1 8.566 ppm2 3.698
!# peak 790-----------------------------------------------
assi (attr store1 < 3.275 and attr store1 > 3.175)
    ((attr store1 < 8.617 and attr store1 > 8.517)
     and bondedto (attr store1 < 116.727 and attr store1 > 115.727))
6 6 0 peak 790 volume 6236086 hpm1 116.227 ppm1 8.567 ppm2 3.225
!# peak 791-----------------------------------------------
assi (attr store1 < 2.625 and attr store1 > 2.525)
    ((attr store1 < 8.616 and attr store1 > 8.516)
     and bondedto (attr store1 < 116.733 and attr store1 > 115.733))
6 6 0 peak 791 volume 20570860 hpm1 116.233 ppm1 8.566 ppm2 2.575
!# peak 792-----------------------------------------------
assi (attr store1 < 2.213 and attr store1 > 2.113)
    ((attr store1 < 8.201 and attr store1 > 8.101)
     and bondedto (attr store1 < 116.583 and attr store1 > 115.583))
6 6 0 peak 792 volume 4228930 hpm1 116.083 ppm1 8.151 ppm2 2.163
!# peak 795-----------------------------------------------
assi (attr store1 < 1.929 and attr store1 > 1.829)
    ((attr store1 < 8.204 and attr store1 > 8.104)
     and bondedto (attr store1 < 116.581 and attr store1 > 115.581))
6 6 0 peak 795 volume 3098206 hpm1 116.081 ppm1 8.154 ppm2 1.879
!# peak 796-----------------------------------------------
assi (attr store1 < 1.656 and attr store1 > 1.556)
    ((attr store1 < 8.203 and attr store1 > 8.103)
     and bondedto (attr store1 < 116.592 and attr store1 > 115.592))
6 6 0 peak 796 volume 18246690 hpm1 116.092 ppm1 8.153 ppm2 1.606
!# peak 797-----------------------------------------------
assi (attr store1 < 1.473 and attr store1 > 1.373)
    ((attr store1 < 8.203 and attr store1 > 8.103)
     and bondedto (attr store1 < 116.586 and attr store1 > 115.586))
6 6 0 peak 797 volume 8296754 hpm1 116.086 ppm1 8.153 ppm2 1.423
!# peak 798-----------------------------------------------
assi (attr store1 < 1.31 and attr store1 > 1.21)
    ((attr store1 < 8.204 and attr store1 > 8.104)
     and bondedto (attr store1 < 116.601 and attr store1 > 115.601))
6 6 0 peak 798 volume 34337920 hpm1 116.101 ppm1 8.154 ppm2 1.26
!# peak 799-----------------------------------------------
assi (attr store1 < 1.127 and attr store1 > 1.027)
    ((attr store1 < 8.204 and attr store1 > 8.104)
     and bondedto (attr store1 < 116.599 and attr store1 > 115.599))
6 6 0 peak 799 volume 6409524 hpm1 116.099 ppm1 8.154 ppm2 1.077
!# peak 800-----------------------------------------------
assi (attr store1 < 1.031 and attr store1 > 0.931)
    ((attr store1 < 8.617 and attr store1 > 8.517)
     and bondedto (attr store1 < 116.739 and attr store1 > 115.739))
6 6 0 peak 800 volume 15767699 hpm1 116.239 ppm1 8.567 ppm2 0.981
!# peak 801-----------------------------------------------
assi (attr store1 < 0.865 and attr store1 > 0.765)
    ((attr store1 < 8.618 and attr store1 > 8.518)
     and bondedto (attr store1 < 116.726 and attr store1 > 115.726))
6 6 0 peak 801 volume 7919835 hpm1 116.226 ppm1 8.568 ppm2 0.815
!# peak 802-----------------------------------------------
assi (attr store1 < 0.132 and attr store1 > 0.033)
    ((attr store1 < 8.204 and attr store1 > 8.104)
     and bondedto (attr store1 < 116.604 and attr store1 > 115.604))
6 6 0 peak 802 volume 1562017 hpm1 116.104 ppm1 8.154 ppm2 0.082
!# peak 803-----------------------------------------------
assi (attr store1 < 8.11 and attr store1 > 8.01)
    ((attr store1 < 7.757 and attr store1 > 7.657)
     and bondedto (attr store1 < 116.467 and attr store1 > 115.467))
6 6 0 peak 803 volume 13956790 hpm1 115.967 ppm1 7.707 ppm2 8.06
!# peak 807-----------------------------------------------
assi (attr store1 < 4.194 and attr store1 > 4.094)
    ((attr store1 < 7.757 and attr store1 > 7.657)
     and bondedto (attr store1 < 116.473 and attr store1 > 115.473))
6 6 0 peak 807 volume 24173790 hpm1 115.973 ppm1 7.707 ppm2 4.144
!# peak 808-----------------------------------------------
assi (attr store1 < 3.969 and attr store1 > 3.869)
    ((attr store1 < 7.758 and attr store1 > 7.658)
     and bondedto (attr store1 < 116.468 and attr store1 > 115.468))
6 6 0 peak 808 volume 25378070 hpm1 115.968 ppm1 7.708 ppm2 3.919
!# peak 809-----------------------------------------------
assi (attr store1 < 3.432 and attr store1 > 3.332)
    ((attr store1 < 7.758 and attr store1 > 7.658)
     and bondedto (attr store1 < 116.485 and attr store1 > 115.485))
6 6 0 peak 809 volume 1659043 hpm1 115.985 ppm1 7.708 ppm2 3.382
!# peak 810-----------------------------------------------
assi (attr store1 < 3.257 and attr store1 > 3.157)
    ((attr store1 < 7.758 and attr store1 > 7.658)
     and bondedto (attr store1 < 116.459 and attr store1 > 115.459))
6 6 0 peak 810 volume 2162673 hpm1 115.959 ppm1 7.708 ppm2 3.207
!# peak 811-----------------------------------------------
assi (attr store1 < 3.026 and attr store1 > 2.926)
    ((attr store1 < 7.759 and attr store1 > 7.659)
     and bondedto (attr store1 < 116.472 and attr store1 > 115.472))
6 6 0 peak 811 volume 4491141 hpm1 115.972 ppm1 7.709 ppm2 2.976
!# peak 812-----------------------------------------------
assi (attr store1 < 2.743 and attr store1 > 2.643)
    ((attr store1 < 7.133 and attr store1 > 7.033)
     and bondedto (attr store1 < 116.429 and attr store1 > 115.429))
6 6 0 peak 812 volume 1843958 hpm1 115.929 ppm1 7.083 ppm2 2.693
!# peak 813-----------------------------------------------
assi (attr store1 < 2.499 and attr store1 > 2.399)
    ((attr store1 < 7.137 and attr store1 > 7.037)
     and bondedto (attr store1 < 116.423 and attr store1 > 115.423))
6 6 0 peak 813 volume 0.2091685e+07 hpm1 115.923 ppm1 7.087 ppm2 2.449
!# peak 815-----------------------------------------------
assi (attr store1 < 1.486 and attr store1 > 1.386)
    ((attr store1 < 7.138 and attr store1 > 7.038)
     and bondedto (attr store1 < 116.408 and attr store1 > 115.408))
6 6 0 peak 815 volume 0.1654199e+07 hpm1 115.908 ppm1 7.088 ppm2 1.436
!# peak 816-----------------------------------------------
assi (attr store1 < 1.351 and attr store1 > 1.251)
    ((attr store1 < 7.757 and attr store1 > 7.657)
     and bondedto (attr store1 < 116.47 and attr store1 > 115.47))
6 6 0 peak 816 volume 16727090 hpm1 115.97 ppm1 7.707 ppm2 1.301
!# peak 817-----------------------------------------------
assi (attr store1 < 0.942 and attr store1 > 0.842)
    ((attr store1 < 7.758 and attr store1 > 7.658)
     and bondedto (attr store1 < 116.461 and attr store1 > 115.461))
6 6 0 peak 817 volume 5186929 hpm1 115.961 ppm1 7.708 ppm2 0.892
!# peak 818-----------------------------------------------
assi (attr store1 < 0.495 and attr store1 > 0.395)
    ((attr store1 < 8.205 and attr store1 > 8.105)
     and bondedto (attr store1 < 116.526 and attr store1 > 115.526))
6 6 0 peak 818 volume 2111282 hpm1 116.026 ppm1 8.155 ppm2 0.445
!# peak 820-----------------------------------------------
assi (attr store1 < 7.699 and attr store1 > 7.599)
    ((attr store1 < 7.944 and attr store1 > 7.844)
     and bondedto (attr store1 < 116.319 and attr store1 > 115.319))
6 6 0 peak 820 volume 16309100 hpm1 115.819 ppm1 7.894 ppm2 7.649
!# peak 821-----------------------------------------------
assi (attr store1 < 7.441 and attr store1 > 7.341)
    ((attr store1 < 7.945 and attr store1 > 7.845)
     and bondedto (attr store1 < 116.331 and attr store1 > 115.331))
6 6 0 peak 821 volume 24500590 hpm1 115.831 ppm1 7.895 ppm2 7.391
!# peak 822-----------------------------------------------
assi (attr store1 < 7.203 and attr store1 > 7.103)
    ((attr store1 < 7.945 and attr store1 > 7.845)
     and bondedto (attr store1 < 116.320 and attr store1 > 115.320))
6 6 0 peak 822 volume 27381008 hpm1 115.820 ppm1 7.895 ppm2 7.153
!# peak 823-----------------------------------------------
assi (attr store1 < 7.015 and attr store1 > 6.915)
    ((attr store1 < 7.945 and attr store1 > 7.845)
     and bondedto (attr store1 < 116.317 and attr store1 > 115.317))
6 6 0 peak 823 volume 4787480 hpm1 115.817 ppm1 7.895 ppm2 6.965
!# peak 824-----------------------------------------------
assi (attr store1 < 4.514 and attr store1 > 4.414)
    ((attr store1 < 7.945 and attr store1 > 7.845)
     and bondedto (attr store1 < 116.327 and attr store1 > 115.327))
6 6 0 peak 824 volume 12639029 hpm1 115.827 ppm1 7.895 ppm2 4.464
!# peak 825-----------------------------------------------
assi (attr store1 < 4.205 and attr store1 > 4.105)
    ((attr store1 < 7.945 and attr store1 > 7.845)
     and bondedto (attr store1 < 116.328 and attr store1 > 115.328))
6 6 0 peak 825 volume 15389539 hpm1 115.828 ppm1 7.895 ppm2 4.155
!# peak 826-----------------------------------------------
assi (attr store1 < 3.746 and attr store1 > 3.646)
    ((attr store1 < 7.946 and attr store1 > 7.846)
     and bondedto (attr store1 < 116.316 and attr store1 > 115.316))
6 6 0 peak 826 volume 5702158 hpm1 115.816 ppm1 7.896 ppm2 3.696
!# peak 827-----------------------------------------------
assi (attr store1 < 3.416 and attr store1 > 3.316)
    ((attr store1 < 7.946 and attr store1 > 7.846)
     and bondedto (attr store1 < 116.324 and attr store1 > 115.324))
6 6 0 peak 827 volume 15658320 hpm1 115.824 ppm1 7.896 ppm2 3.366
!# peak 828-----------------------------------------------
assi (attr store1 < 2.969 and attr store1 > 2.869)
    ((attr store1 < 7.945 and attr store1 > 7.845)
     and bondedto (attr store1 < 116.323 and attr store1 > 115.323))
6 6 0 peak 828 volume 25670910 hpm1 115.823 ppm1 7.895 ppm2 2.919
!# peak 829-----------------------------------------------
assi (attr store1 < 2.492 and attr store1 > 2.392)
    ((attr store1 < 7.955 and attr store1 > 7.855)
     and bondedto (attr store1 < 116.328 and attr store1 > 115.328))
6 6 0 peak 829 volume 4475426 hpm1 115.828 ppm1 7.905 ppm2 2.442
!# peak 830-----------------------------------------------
assi (attr store1 < 2.153 and attr store1 > 2.053)
    ((attr store1 < 7.949 and attr store1 > 7.849)
     and bondedto (attr store1 < 116.349 and attr store1 > 115.349))
6 6 0 peak 830 volume 3745581 hpm1 115.849 ppm1 7.899 ppm2 2.103
!# peak 831-----------------------------------------------
assi (attr store1 < 1.91 and attr store1 > 1.81)
    ((attr store1 < 7.945 and attr store1 > 7.845)
     and bondedto (attr store1 < 116.322 and attr store1 > 115.322))
6 6 0 peak 831 volume 10803650 hpm1 115.822 ppm1 7.895 ppm2 1.86
!# peak 832-----------------------------------------------
assi (attr store1 < 1.715 and attr store1 > 1.615)
    ((attr store1 < 7.947 and attr store1 > 7.847)
     and bondedto (attr store1 < 116.317 and attr store1 > 115.317))
6 6 0 peak 832 volume 7466134 hpm1 115.817 ppm1 7.897 ppm2 1.665
!# peak 833-----------------------------------------------
assi (attr store1 < 1.372 and attr store1 > 1.272)
    ((attr store1 < 7.943 and attr store1 > 7.843)
     and bondedto (attr store1 < 116.319 and attr store1 > 115.319))
6 6 0 peak 833 volume 5963641 hpm1 115.819 ppm1 7.893 ppm2 1.322
!# peak 834-----------------------------------------------
assi (attr store1 < 1.206 and attr store1 > 1.106)
    ((attr store1 < 7.944 and attr store1 > 7.844)
     and bondedto (attr store1 < 116.338 and attr store1 > 115.338))
6 6 0 peak 834 volume 4097345 hpm1 115.838 ppm1 7.894 ppm2 1.156
!# peak 835-----------------------------------------------
assi (attr store1 < 1.023 and attr store1 > 0.923)
    ((attr store1 < 7.945 and attr store1 > 7.845)
     and bondedto (attr store1 < 116.312 and attr store1 > 115.312))
6 6 0 peak 835 volume 5148985 hpm1 115.812 ppm1 7.895 ppm2 0.973
!# peak 836-----------------------------------------------
assi (attr store1 < 0.905 and attr store1 > 0.805)
    ((attr store1 < 7.944 and attr store1 > 7.844)
     and bondedto (attr store1 < 116.314 and attr store1 > 115.314))
6 6 0 peak 836 volume 5058346 hpm1 115.814 ppm1 7.894 ppm2 0.855
!# peak 837-----------------------------------------------
assi (attr store1 < 0.305 and attr store1 > 0.205)
    ((attr store1 < 7.947 and attr store1 > 7.847)
     and bondedto (attr store1 < 116.327 and attr store1 > 115.327))
6 6 0 peak 837 volume 0.380437e+07 hpm1 115.827 ppm1 7.897 ppm2 0.255
!# peak 838-----------------------------------------------
assi (attr store1 < 0.139 and attr store1 > -0.477)
    ((attr store1 < 7.952 and attr store1 > 7.852)
     and bondedto (attr store1 < 116.334 and attr store1 > 115.334))
6 6 0 peak 838 volume 1119295 hpm1 115.834 ppm1 7.902 ppm2 0.089
!# peak 839-----------------------------------------------
assi (attr store1 < 9.126 and attr store1 > 9.026)
    ((attr store1 < 8.531 and attr store1 > 8.431)
     and bondedto (attr store1 < 116.059 and attr store1 > 115.059))
6 6 0 peak 839 volume 11497070 hpm1 115.559 ppm1 8.481 ppm2 9.076
!# peak 842-----------------------------------------------
assi (attr store1 < 7.342 and attr store1 > 7.242)
    ((attr store1 < 8.537 and attr store1 > 8.437)
     and bondedto (attr store1 < 116.113 and attr store1 > 115.113))
6 6 0 peak 842 volume 1542197 hpm1 115.613 ppm1 8.487 ppm2 7.292
!# peak 843-----------------------------------------------
assi (attr store1 < 6.839 and attr store1 > 6.739)
    ((attr store1 < 8.532 and attr store1 > 8.432)
     and bondedto (attr store1 < 116.062 and attr store1 > 115.062))
6 6 0 peak 843 volume 15352850 hpm1 115.562 ppm1 8.482 ppm2 6.789
!# peak 845-----------------------------------------------
assi (attr store1 < 4.044 and attr store1 > 3.944)
    ((attr store1 < 8.531 and attr store1 > 8.431)
     and bondedto (attr store1 < 116.054 and attr store1 > 115.054))
6 6 0 peak 845 volume 3302027 hpm1 115.554 ppm1 8.481 ppm2 3.994
!# peak 846-----------------------------------------------
assi (attr store1 < 3.744 and attr store1 > 3.644)
    ((attr store1 < 8.532 and attr store1 > 8.432)
     and bondedto (attr store1 < 116.057 and attr store1 > 115.057))
6 6 0 peak 846 volume 7167892 hpm1 115.557 ppm1 8.482 ppm2 3.694
!# peak 847-----------------------------------------------
assi (attr store1 < 3.276 and attr store1 > 3.176)
    ((attr store1 < 8.530 and attr store1 > 8.430)
     and bondedto (attr store1 < 116.055 and attr store1 > 115.055))
6 6 0 peak 847 volume 16392730 hpm1 115.555 ppm1 8.480 ppm2 3.226
!# peak 848-----------------------------------------------
assi (attr store1 < 2.941 and attr store1 > 2.841)
    ((attr store1 < 8.531 and attr store1 > 8.431)
     and bondedto (attr store1 < 116.064 and attr store1 > 115.064))
6 6 0 peak 848 volume 4045831 hpm1 115.564 ppm1 8.481 ppm2 2.891
!# peak 849-----------------------------------------------
assi (attr store1 < 2.167 and attr store1 > 2.067)
    ((attr store1 < 8.532 and attr store1 > 8.432)
     and bondedto (attr store1 < 116.058 and attr store1 > 115.058))
6 6 0 peak 849 volume 34817932 hpm1 115.558 ppm1 8.482 ppm2 2.117
!# peak 850-----------------------------------------------
assi (attr store1 < 1.884 and attr store1 > 1.784)
    ((attr store1 < 7.598 and attr store1 > 7.498)
     and bondedto (attr store1 < 116.090 and attr store1 > 115.090))
6 6 0 peak 850 volume 3559921 hpm1 115.590 ppm1 7.548 ppm2 1.834
!# peak 851-----------------------------------------------
assi (attr store1 < 1.789 and attr store1 > 1.689)
    ((attr store1 < 8.530 and attr store1 > 8.430)
     and bondedto (attr store1 < 116.053 and attr store1 > 115.053))
6 6 0 peak 851 volume 9435710 hpm1 115.553 ppm1 8.480 ppm2 1.739
!# peak 852-----------------------------------------------
assi (attr store1 < 1.4 and attr store1 > 1.3)
    ((attr store1 < 8.532 and attr store1 > 8.432)
     and bondedto (attr store1 < 116.079 and attr store1 > 115.079))
6 6 0 peak 852 volume 2141389 hpm1 115.579 ppm1 8.482 ppm2 1.35
!# peak 853-----------------------------------------------
assi (attr store1 < 1.029 and attr store1 > 0.929)
    ((attr store1 < 8.531 and attr store1 > 8.431)
     and bondedto (attr store1 < 116.058 and attr store1 > 115.058))
6 6 0 peak 853 volume 56913196 hpm1 115.558 ppm1 8.481 ppm2 0.979
!# peak 854-----------------------------------------------
assi (attr store1 < 0.86 and attr store1 > 0.76)
    ((attr store1 < 8.531 and attr store1 > 8.431)
     and bondedto (attr store1 < 116.059 and attr store1 > 115.059))
6 6 0 peak 854 volume 43279112 hpm1 115.559 ppm1 8.481 ppm2 0.81
!# peak 855-----------------------------------------------
assi (attr store1 < 0.677 and attr store1 > 0.577)
    ((attr store1 < 8.532 and attr store1 > 8.432)
     and bondedto (attr store1 < 116.060 and attr store1 > 115.060))
6 6 0 peak 855 volume 4961725 hpm1 115.560 ppm1 8.482 ppm2 0.627
!# peak 856-----------------------------------------------
assi (attr store1 < 0.413 and attr store1 > 0.313)
    ((attr store1 < 8.529 and attr store1 > 8.429)
     and bondedto (attr store1 < 116.058 and attr store1 > 115.058))
6 6 0 peak 856 volume 2370778 hpm1 115.558 ppm1 8.479 ppm2 0.363
!# peak 857-----------------------------------------------
assi (attr store1 < 0.184 and attr store1 > 0.084)
    ((attr store1 < 8.527 and attr store1 > 8.427)
     and bondedto (attr store1 < 116.061 and attr store1 > 115.061))
6 6 0 peak 857 volume 1080567 hpm1 115.561 ppm1 8.477 ppm2 0.134
!# peak 859-----------------------------------------------
assi (attr store1 < 7.21 and attr store1 > 7.11)
    ((attr store1 < 8.165 and attr store1 > 8.065)
     and bondedto (attr store1 < 115.899 and attr store1 > 114.899))
6 6 0 peak 859 volume 17283660 hpm1 115.399 ppm1 8.115 ppm2 7.16
!# peak 860-----------------------------------------------
assi (attr store1 < 4.287 and attr store1 > 4.187)
    ((attr store1 < 8.170 and attr store1 > 8.070)
     and bondedto (attr store1 < 115.901 and attr store1 > 114.901))
6 6 0 peak 860 volume 26815190 hpm1 115.401 ppm1 8.120 ppm2 4.237
!# peak 861-----------------------------------------------
assi (attr store1 < 4.02 and attr store1 > 3.92)
    ((attr store1 < 8.169 and attr store1 > 8.069)
     and bondedto (attr store1 < 115.887 and attr store1 > 114.887))
6 6 0 peak 861 volume 8105840 hpm1 115.387 ppm1 8.119 ppm2 3.97
!# peak 862-----------------------------------------------
assi (attr store1 < 3.681 and attr store1 > 3.581)
    ((attr store1 < 8.167 and attr store1 > 8.067)
     and bondedto (attr store1 < 115.890 and attr store1 > 114.890))
6 6 0 peak 862 volume 8661880 hpm1 115.390 ppm1 8.117 ppm2 3.631
!# peak 863-----------------------------------------------
assi (attr store1 < 3.015 and attr store1 > 2.915)
    ((attr store1 < 8.169 and attr store1 > 8.069)
     and bondedto (attr store1 < 115.880 and attr store1 > 114.880))
6 6 0 peak 863 volume 9459831 hpm1 115.380 ppm1 8.119 ppm2 2.965
!# peak 864-----------------------------------------------
assi (attr store1 < 2.646 and attr store1 > 2.546)
    ((attr store1 < 8.169 and attr store1 > 8.069)
     and bondedto (attr store1 < 115.896 and attr store1 > 114.896))
6 6 0 peak 864 volume 50704800 hpm1 115.396 ppm1 8.119 ppm2 2.596
!# peak 865-----------------------------------------------
assi (attr store1 < 2.41 and attr store1 > 2.31)
    ((attr store1 < 8.168 and attr store1 > 8.068)
     and bondedto (attr store1 < 115.876 and attr store1 > 114.876))
6 6 0 peak 865 volume 2659354 hpm1 115.376 ppm1 8.118 ppm2 2.36
!# peak 866-----------------------------------------------
assi (attr store1 < 1.707 and attr store1 > 1.607)
    ((attr store1 < 8.171 and attr store1 > 8.071)
     and bondedto (attr store1 < 115.905 and attr store1 > 114.905))
6 6 0 peak 866 volume 7483408 hpm1 115.405 ppm1 8.121 ppm2 1.657
!# peak 867-----------------------------------------------
assi (attr store1 < 1.487 and attr store1 > 1.387)
    ((attr store1 < 8.170 and attr store1 > 8.070)
     and bondedto (attr store1 < 115.899 and attr store1 > 114.899))
6 6 0 peak 867 volume 50427360 hpm1 115.399 ppm1 8.120 ppm2 1.437
!# peak 868-----------------------------------------------
assi (attr store1 < 0.814 and attr store1 > 0.714)
    ((attr store1 < 8.166 and attr store1 > 8.066)
     and bondedto (attr store1 < 115.909 and attr store1 > 114.909))
6 6 0 peak 868 volume 0.2570111e+07 hpm1 115.409 ppm1 8.116 ppm2 0.764
!# peak 870-----------------------------------------------
assi (attr store1 < 10.277 and attr store1 > 10.177)
    ((attr store1 < 7.265 and attr store1 > 7.165)
     and bondedto (attr store1 < 115.496 and attr store1 > 114.496))
6 6 0 peak 870 volume 1505017 hpm1 114.996 ppm1 7.215 ppm2 10.227
!# peak 871-----------------------------------------------
assi (attr store1 < 8.511 and attr store1 > 8.411)
    ((attr store1 < 7.251 and attr store1 > 7.151)
     and bondedto (attr store1 < 115.495 and attr store1 > 114.495))
6 6 0 peak 871 volume 3546700 hpm1 114.995 ppm1 7.201 ppm2 8.461
!# peak 872-----------------------------------------------
assi (attr store1 < 7.759 and attr store1 > 7.659)
    ((attr store1 < 7.255 and attr store1 > 7.155)
     and bondedto (attr store1 < 115.493 and attr store1 > 114.493))
6 6 0 peak 872 volume 1636667 hpm1 114.993 ppm1 7.205 ppm2 7.709
!# peak 875-----------------------------------------------
assi (attr store1 < 4.319 and attr store1 > 4.219)
    ((attr store1 < 7.250 and attr store1 > 7.150)
     and bondedto (attr store1 < 115.498 and attr store1 > 114.498))
6 6 0 peak 875 volume 8978505 hpm1 114.998 ppm1 7.200 ppm2 4.269
!# peak 876-----------------------------------------------
assi (attr store1 < 4.137 and attr store1 > 4.037)
    ((attr store1 < 7.251 and attr store1 > 7.151)
     and bondedto (attr store1 < 115.508 and attr store1 > 114.508))
6 6 0 peak 876 volume 9114067 hpm1 115.008 ppm1 7.201 ppm2 4.087
!# peak 877-----------------------------------------------
assi (attr store1 < 3.831 and attr store1 > 3.731)
    ((attr store1 < 7.251 and attr store1 > 7.151)
     and bondedto (attr store1 < 115.505 and attr store1 > 114.505))
6 6 0 peak 877 volume 4353924 hpm1 115.005 ppm1 7.201 ppm2 3.781
!# peak 878-----------------------------------------------
assi (attr store1 < 3.463 and attr store1 > 3.363)
    ((attr store1 < 7.253 and attr store1 > 7.153)
     and bondedto (attr store1 < 115.522 and attr store1 > 114.522))
6 6 0 peak 878 volume 2592814 hpm1 115.022 ppm1 7.203 ppm2 3.413
!# peak 879-----------------------------------------------
assi (attr store1 < 2.855 and attr store1 > 2.755)
    ((attr store1 < 7.252 and attr store1 > 7.152)
     and bondedto (attr store1 < 115.507 and attr store1 > 114.507))
6 6 0 peak 879 volume 30460458 hpm1 115.007 ppm1 7.202 ppm2 2.805
!# peak 880-----------------------------------------------
assi (attr store1 < 2.45 and attr store1 > 2.35)
    ((attr store1 < 7.252 and attr store1 > 7.152)
     and bondedto (attr store1 < 115.507 and attr store1 > 114.507))
6 6 0 peak 880 volume 30768282 hpm1 115.007 ppm1 7.202 ppm2 2.4
!# peak 881-----------------------------------------------
assi (attr store1 < 1.962 and attr store1 > 1.862)
    ((attr store1 < 7.262 and attr store1 > 7.162)
     and bondedto (attr store1 < 115.510 and attr store1 > 114.510))
6 6 0 peak 881 volume 13240650 hpm1 115.010 ppm1 7.212 ppm2 1.912
!# peak 882-----------------------------------------------
assi (attr store1 < 1.442 and attr store1 > 1.342)
    ((attr store1 < 7.252 and attr store1 > 7.152)
     and bondedto (attr store1 < 115.513 and attr store1 > 114.513))
6 6 0 peak 882 volume 19794230 hpm1 115.013 ppm1 7.202 ppm2 1.392
!# peak 883-----------------------------------------------
assi (attr store1 < 1.007 and attr store1 > 0.907)
    ((attr store1 < 7.252 and attr store1 > 7.152)
     and bondedto (attr store1 < 115.501 and attr store1 > 114.501))
6 6 0 peak 883 volume 7293440 hpm1 115.001 ppm1 7.202 ppm2 0.957
!# peak 886-----------------------------------------------
assi (attr store1 < 7.844 and attr store1 > 7.744)
    ((attr store1 < 8.743 and attr store1 > 8.643)
     and bondedto (attr store1 < 115.115 and attr store1 > 114.115))
6 6 0 peak 886 volume 20263710 hpm1 114.615 ppm1 8.693 ppm2 7.794
!# peak 887-----------------------------------------------
assi (attr store1 < 7.444 and attr store1 > 7.344)
    ((attr store1 < 8.743 and attr store1 > 8.643)
     and bondedto (attr store1 < 115.109 and attr store1 > 114.109))
6 6 0 peak 887 volume 8355505 hpm1 114.609 ppm1 8.693 ppm2 7.394
!# peak 888-----------------------------------------------
assi (attr store1 < 6.942 and attr store1 > 6.842)
    ((attr store1 < 8.743 and attr store1 > 8.643)
     and bondedto (attr store1 < 115.091 and attr store1 > 114.091))
6 6 0 peak 888 volume 1887333 hpm1 114.591 ppm1 8.693 ppm2 6.892
!# peak 889-----------------------------------------------
assi (attr store1 < 5.004 and attr store1 > 4.904)
    ((attr store1 < 8.743 and attr store1 > 8.643)
     and bondedto (attr store1 < 115.105 and attr store1 > 114.105))
6 6 0 peak 889 volume 16909160 hpm1 114.605 ppm1 8.693 ppm2 4.954
!# peak 891-----------------------------------------------
assi (attr store1 < 4.351 and attr store1 > 4.251)
    ((attr store1 < 8.743 and attr store1 > 8.643)
     and bondedto (attr store1 < 115.098 and attr store1 > 114.098))
6 6 0 peak 891 volume 16808290 hpm1 114.598 ppm1 8.693 ppm2 4.301
!# peak 892-----------------------------------------------
assi (attr store1 < 3.069 and attr store1 > 2.969)
    ((attr store1 < 8.744 and attr store1 > 8.644)
     and bondedto (attr store1 < 115.110 and attr store1 > 114.110))
6 6 0 peak 892 volume 9007581 hpm1 114.610 ppm1 8.694 ppm2 3.019
!# peak 893-----------------------------------------------
assi (attr store1 < 2.692 and attr store1 > 2.592)
    ((attr store1 < 8.742 and attr store1 > 8.642)
     and bondedto (attr store1 < 115.100 and attr store1 > 114.100))
6 6 0 peak 893 volume 14816999 hpm1 114.600 ppm1 8.692 ppm2 2.642
!# peak 894-----------------------------------------------
assi (attr store1 < 2.504 and attr store1 > 2.404)
    ((attr store1 < 8.744 and attr store1 > 8.644)
     and bondedto (attr store1 < 115.092 and attr store1 > 114.092))
6 6 0 peak 894 volume 17634010 hpm1 114.592 ppm1 8.694 ppm2 2.454
!# peak 895-----------------------------------------------
assi (attr store1 < 1.544 and attr store1 > 1.444)
    ((attr store1 < 8.745 and attr store1 > 8.645)
     and bondedto (attr store1 < 115.097 and attr store1 > 114.097))
6 6 0 peak 895 volume 4516638 hpm1 114.597 ppm1 8.695 ppm2 1.494
!# peak 896-----------------------------------------------
assi (attr store1 < 1.307 and attr store1 > 1.207)
    ((attr store1 < 8.741 and attr store1 > 8.641)
     and bondedto (attr store1 < 115.100 and attr store1 > 114.100))
6 6 0 peak 896 volume 2980574 hpm1 114.600 ppm1 8.691 ppm2 1.257
!# peak 898-----------------------------------------------
assi (attr store1 < 2.139 and attr store1 > 2.039)
    ((attr store1 < 8.742 and attr store1 > 8.642)
     and bondedto (attr store1 < 115.071 and attr store1 > 114.071))
6 6 0 peak 898 volume 6423275 hpm1 114.571 ppm1 8.692 ppm2 2.089
!# peak 899-----------------------------------------------
assi (attr store1 < 1.048 and attr store1 > 0.948)
    ((attr store1 < 8.742 and attr store1 > 8.642)
     and bondedto (attr store1 < 115.064 and attr store1 > 114.064))
6 6 0 peak 899 volume 2365079 hpm1 114.564 ppm1 8.692 ppm2 0.998
!# peak 900-----------------------------------------------
assi (attr store1 < 0.749 and attr store1 > 0.649)
    ((attr store1 < 8.744 and attr store1 > 8.644)
     and bondedto (attr store1 < 115.036 and attr store1 > 114.036))
6 6 0 peak 900 volume 1388748 hpm1 114.536 ppm1 8.694 ppm2 0.699
!# peak 904-----------------------------------------------
assi (attr store1 < 8.477 and attr store1 > 8.377)
    ((attr store1 < 9.417 and attr store1 > 9.317)
     and bondedto (attr store1 < 114.625 and attr store1 > 113.625))
6 6 0 peak 904 volume 2356103 hpm1 114.125 ppm1 9.367 ppm2 8.427
!# peak 905-----------------------------------------------
assi (attr store1 < 7.607 and attr store1 > 7.507)
    ((attr store1 < 9.412 and attr store1 > 9.312)
     and bondedto (attr store1 < 114.618 and attr store1 > 113.618))
6 6 0 peak 905 volume 7289684 hpm1 114.118 ppm1 9.362 ppm2 7.557
!# peak 907-----------------------------------------------
assi (attr store1 < 7.389 and attr store1 > 7.289)
    ((attr store1 < 9.412 and attr store1 > 9.312)
     and bondedto (attr store1 < 114.635 and attr store1 > 113.635))
6 6 0 peak 907 volume 5653028 hpm1 114.135 ppm1 9.362 ppm2 7.339
!# peak 909-----------------------------------------------
assi (attr store1 < 4.469 and attr store1 > 4.369)
    ((attr store1 < 9.412 and attr store1 > 9.312)
     and bondedto (attr store1 < 114.626 and attr store1 > 113.626))
6 6 0 peak 909 volume 49709260 hpm1 114.126 ppm1 9.362 ppm2 4.419
!# peak 910-----------------------------------------------
assi (attr store1 < 3.031 and attr store1 > 2.931)
    ((attr store1 < 9.412 and attr store1 > 9.312)
     and bondedto (attr store1 < 114.629 and attr store1 > 113.629))
6 6 0 peak 910 volume 22468080 hpm1 114.129 ppm1 9.362 ppm2 2.981
!# peak 911-----------------------------------------------
assi (attr store1 < 2.714 and attr store1 > 2.614)
    ((attr store1 < 9.413 and attr store1 > 9.313)
     and bondedto (attr store1 < 114.625 and attr store1 > 113.625))
6 6 0 peak 911 volume 9797533 hpm1 114.125 ppm1 9.363 ppm2 2.664
!# peak 912-----------------------------------------------
assi (attr store1 < 2.389 and attr store1 > 2.289)
    ((attr store1 < 9.416 and attr store1 > 9.316)
     and bondedto (attr store1 < 114.635 and attr store1 > 113.635))
6 6 0 peak 912 volume 13693640 hpm1 114.135 ppm1 9.366 ppm2 2.339
!# peak 913-----------------------------------------------
assi (attr store1 < 1.96 and attr store1 > 1.86)
    ((attr store1 < 9.416 and attr store1 > 9.316)
     and bondedto (attr store1 < 114.627 and attr store1 > 113.627))
6 6 0 peak 913 volume 11487940 hpm1 114.127 ppm1 9.366 ppm2 1.91
!# peak 914-----------------------------------------------
assi (attr store1 < 1.437 and attr store1 > 1.337)
    ((attr store1 < 9.413 and attr store1 > 9.313)
     and bondedto (attr store1 < 114.627 and attr store1 > 113.627))
6 6 0 peak 914 volume 25313280 hpm1 114.127 ppm1 9.363 ppm2 1.387
!# peak 915-----------------------------------------------
assi (attr store1 < 8.563 and attr store1 > 8.463)
    ((attr store1 < 7.780 and attr store1 > 7.680)
     and bondedto (attr store1 < 114.446 and attr store1 > 113.446))
6 6 0 peak 915 volume 1705589 hpm1 113.946 ppm1 7.730 ppm2 8.513
!# peak 916-----------------------------------------------
assi (attr store1 < 8.256 and attr store1 > 8.156)
    ((attr store1 < 7.775 and attr store1 > 7.675)
     and bondedto (attr store1 < 114.434 and attr store1 > 113.434))
6 6 0 peak 916 volume 35177780 hpm1 113.934 ppm1 7.725 ppm2 8.206
!# peak 920-----------------------------------------------
assi (attr store1 < 7.106 and attr store1 > 7.006)
    ((attr store1 < 7.769 and attr store1 > 7.669)
     and bondedto (attr store1 < 114.475 and attr store1 > 113.475))
6 6 0 peak 920 volume 1342924 hpm1 113.975 ppm1 7.719 ppm2 7.056
!# peak 922-----------------------------------------------
assi (attr store1 < 4.593 and attr store1 > 4.493)
    ((attr store1 < 7.776 and attr store1 > 7.676)
     and bondedto (attr store1 < 114.413 and attr store1 > 113.413))
6 6 0 peak 922 volume 1841080 hpm1 113.913 ppm1 7.726 ppm2 4.543
!# peak 923-----------------------------------------------
assi (attr store1 < 4.272 and attr store1 > 4.172)
    ((attr store1 < 7.779 and attr store1 > 7.679)
     and bondedto (attr store1 < 114.435 and attr store1 > 113.435))
6 6 0 peak 923 volume 21887980 hpm1 113.935 ppm1 7.729 ppm2 4.222
!# peak 925-----------------------------------------------
assi (attr store1 < 4.009 and attr store1 > 3.909)
    ((attr store1 < 7.779 and attr store1 > 7.679)
     and bondedto (attr store1 < 114.436 and attr store1 > 113.436))
6 6 0 peak 925 volume 63950540 hpm1 113.936 ppm1 7.729 ppm2 3.959
!# peak 926-----------------------------------------------
assi (attr store1 < 3.619 and attr store1 > 3.519)
    ((attr store1 < 7.778 and attr store1 > 7.678)
     and bondedto (attr store1 < 114.450 and attr store1 > 113.450))
6 6 0 peak 926 volume 9034608 hpm1 113.950 ppm1 7.728 ppm2 3.569
!# peak 927-----------------------------------------------
assi (attr store1 < 3.249 and attr store1 > 3.149)
    ((attr store1 < 7.778 and attr store1 > 7.678)
     and bondedto (attr store1 < 114.446 and attr store1 > 113.446))
6 6 0 peak 927 volume 1490425 hpm1 113.946 ppm1 7.728 ppm2 3.199
!# peak 928-----------------------------------------------
assi (attr store1 < 2.63 and attr store1 > 2.53)
    ((attr store1 < 7.767 and attr store1 > 7.667)
     and bondedto (attr store1 < 114.424 and attr store1 > 113.424))
6 6 0 peak 928 volume 1315320 hpm1 113.924 ppm1 7.717 ppm2 2.58
!# peak 929-----------------------------------------------
assi (attr store1 < 1.72 and attr store1 > 1.62)
    ((attr store1 < 7.777 and attr store1 > 7.677)
     and bondedto (attr store1 < 114.436 and attr store1 > 113.436))
6 6 0 peak 929 volume 12354510 hpm1 113.936 ppm1 7.727 ppm2 1.67
!# peak 930-----------------------------------------------
assi (attr store1 < 1.414 and attr store1 > 1.314)
    ((attr store1 < 7.779 and attr store1 > 7.679)
     and bondedto (attr store1 < 114.438 and attr store1 > 113.438))
6 6 0 peak 930 volume 17743960 hpm1 113.938 ppm1 7.729 ppm2 1.364
!# peak 931-----------------------------------------------
assi (attr store1 < 1.158 and attr store1 > 1.058)
    ((attr store1 < 7.775 and attr store1 > 7.675)
     and bondedto (attr store1 < 114.415 and attr store1 > 113.415))
6 6 0 peak 931 volume 2659644 hpm1 113.915 ppm1 7.725 ppm2 1.108
!# peak 932-----------------------------------------------
assi (attr store1 < 0.813 and attr store1 > 0.713)
    ((attr store1 < 7.779 and attr store1 > 7.679)
     and bondedto (attr store1 < 114.434 and attr store1 > 113.434))
6 6 0 peak 932 volume 5774532 hpm1 113.934 ppm1 7.729 ppm2 0.763
!# peak 933-----------------------------------------------
assi (attr store1 < 0.394 and attr store1 > 0.294)
    ((attr store1 < 7.782 and attr store1 > 7.682)
     and bondedto (attr store1 < 114.455 and attr store1 > 113.455))
6 6 0 peak 933 volume 1822812 hpm1 113.955 ppm1 7.732 ppm2 0.344
!# peak 936-----------------------------------------------
assi (attr store1 < 7.615 and attr store1 > 7.515)
    ((attr store1 < 6.916 and attr store1 > 6.816)
     and bondedto (attr store1 < 113.473 and attr store1 > 112.473))
6 6 0 peak 936 volume 148703792 hpm1 112.973 ppm1 6.866 ppm2 7.565
!# peak 937-----------------------------------------------
assi (attr store1 < 6.939 and attr store1 > 6.839)
    ((attr store1 < 7.586 and attr store1 > 7.486)
     and bondedto (attr store1 < 113.463 and attr store1 > 112.463))
6 6 0 peak 937 volume 139116096 hpm1 112.963 ppm1 7.536 ppm2 6.889
!# peak 939-----------------------------------------------
assi (attr store1 < 3.076 and attr store1 > 2.976)
    ((attr store1 < 7.577 and attr store1 > 7.477)
     and bondedto (attr store1 < 113.503 and attr store1 > 112.503))
6 6 0 peak 939 volume 2658908 hpm1 113.003 ppm1 7.527 ppm2 3.026
!# peak 940-----------------------------------------------
assi (attr store1 < 3.068 and attr store1 > 2.968)
    ((attr store1 < 6.919 and attr store1 > 6.819)
     and bondedto (attr store1 < 113.531 and attr store1 > 112.531))
6 6 0 peak 940 volume 1259188 hpm1 113.031 ppm1 6.869 ppm2 3.018
!# peak 941-----------------------------------------------
assi (attr store1 < 2.696 and attr store1 > 2.596)
    ((attr store1 < 7.579 and attr store1 > 7.479)
     and bondedto (attr store1 < 113.502 and attr store1 > 112.502))
6 6 0 peak 941 volume 9948217 hpm1 113.002 ppm1 7.529 ppm2 2.646
!# peak 942-----------------------------------------------
assi (attr store1 < 2.694 and attr store1 > 2.594)
    ((attr store1 < 6.921 and attr store1 > 6.821)
     and bondedto (attr store1 < 113.517 and attr store1 > 112.517))
6 6 0 peak 942 volume 5714282 hpm1 113.017 ppm1 6.871 ppm2 2.644
!# peak 943-----------------------------------------------
assi (attr store1 < 2.395 and attr store1 > 2.295)
    ((attr store1 < 7.578 and attr store1 > 7.478)
     and bondedto (attr store1 < 113.516 and attr store1 > 112.516))
6 6 0 peak 943 volume 1794446 hpm1 113.016 ppm1 7.528 ppm2 2.345
!# peak 944-----------------------------------------------
assi (attr store1 < 2.391 and attr store1 > 2.291)
    ((attr store1 < 6.920 and attr store1 > 6.820)
     and bondedto (attr store1 < 113.505 and attr store1 > 112.505))
6 6 0 peak 944 volume 1696142 hpm1 113.005 ppm1 6.870 ppm2 2.341
!# peak 948-----------------------------------------------
assi (attr store1 < 2.842 and attr store1 > 2.742)
    ((attr store1 < 6.886 and attr store1 > 6.786)
     and bondedto (attr store1 < 113.276 and attr store1 > 112.276))
6 6 0 peak 948 volume 0.3587289e+07 hpm1 112.776 ppm1 6.836 ppm2 2.792
!# peak 950-----------------------------------------------
assi (attr store1 < 8.34 and attr store1 > 8.24)
    ((attr store1 < 7.850 and attr store1 > 7.750)
     and bondedto (attr store1 < 112.555 and attr store1 > 111.555))
6 6 0 peak 950 volume 13707919 hpm1 112.055 ppm1 7.800 ppm2 8.29
!# peak 952-----------------------------------------------
assi (attr store1 < 7.245 and attr store1 > 7.145)
    ((attr store1 < 7.850 and attr store1 > 7.750)
     and bondedto (attr store1 < 112.562 and attr store1 > 111.562))
6 6 0 peak 952 volume 20455710 hpm1 112.062 ppm1 7.800 ppm2 7.195
!# peak 953-----------------------------------------------
assi (attr store1 < 6.926 and attr store1 > 6.826)
    ((attr store1 < 7.850 and attr store1 > 7.750)
     and bondedto (attr store1 < 112.556 and attr store1 > 111.556))
6 6 0 peak 953 volume 14660691 hpm1 112.056 ppm1 7.800 ppm2 6.876
!# peak 954-----------------------------------------------
assi (attr store1 < 6.576 and attr store1 > 6.476)
    ((attr store1 < 7.852 and attr store1 > 7.752)
     and bondedto (attr store1 < 112.546 and attr store1 > 111.546))
6 6 0 peak 954 volume 1996620 hpm1 112.046 ppm1 7.802 ppm2 6.526
!# peak 955-----------------------------------------------
assi (attr store1 < 4.549 and attr store1 > 4.449)
    ((attr store1 < 7.850 and attr store1 > 7.750)
     and bondedto (attr store1 < 112.558 and attr store1 > 111.558))
6 6 0 peak 955 volume 12384220 hpm1 112.058 ppm1 7.800 ppm2 4.499
!# peak 956-----------------------------------------------
assi (attr store1 < 4.039 and attr store1 > 3.939)
    ((attr store1 < 7.850 and attr store1 > 7.750)
     and bondedto (attr store1 < 112.540 and attr store1 > 111.540))
6 6 0 peak 956 volume 2979036 hpm1 112.040 ppm1 7.800 ppm2 3.989
!# peak 957-----------------------------------------------
assi (attr store1 < 3.845 and attr store1 > 3.745)
    ((attr store1 < 7.851 and attr store1 > 7.751)
     and bondedto (attr store1 < 112.556 and attr store1 > 111.556))
6 6 0 peak 957 volume 5392809 hpm1 112.056 ppm1 7.801 ppm2 3.795
!# peak 958-----------------------------------------------
assi (attr store1 < 3.517 and attr store1 > 3.417)
    ((attr store1 < 7.851 and attr store1 > 7.751)
     and bondedto (attr store1 < 112.561 and attr store1 > 111.561))
6 6 0 peak 958 volume 8983524 hpm1 112.061 ppm1 7.801 ppm2 3.467
!# peak 959-----------------------------------------------
assi (attr store1 < 3.247 and attr store1 > 3.147)
    ((attr store1 < 7.850 and attr store1 > 7.750)
     and bondedto (attr store1 < 112.556 and attr store1 > 111.556))
6 6 0 peak 959 volume 13826090 hpm1 112.056 ppm1 7.800 ppm2 3.197
!# peak 960-----------------------------------------------
assi (attr store1 < 2.941 and attr store1 > 2.841)
    ((attr store1 < 7.852 and attr store1 > 7.752)
     and bondedto (attr store1 < 112.548 and attr store1 > 111.548))
6 6 0 peak 960 volume 4803510 hpm1 112.048 ppm1 7.802 ppm2 2.891
!# peak 961-----------------------------------------------
assi (attr store1 < 2.487 and attr store1 > 2.387)
    ((attr store1 < 7.850 and attr store1 > 7.750)
     and bondedto (attr store1 < 112.555 and attr store1 > 111.555))
6 6 0 peak 961 volume 20055970 hpm1 112.055 ppm1 7.800 ppm2 2.437
!# peak 962-----------------------------------------------
assi (attr store1 < 1.626 and attr store1 > 1.526)
    ((attr store1 < 7.849 and attr store1 > 7.749)
     and bondedto (attr store1 < 112.550 and attr store1 > 111.550))
6 6 0 peak 962 volume 5022691 hpm1 112.050 ppm1 7.799 ppm2 1.576
!# peak 963-----------------------------------------------
assi (attr store1 < 1.4 and attr store1 > 1.3)
    ((attr store1 < 7.851 and attr store1 > 7.751)
     and bondedto (attr store1 < 112.562 and attr store1 > 111.562))
6 6 0 peak 963 volume 5369267 hpm1 112.062 ppm1 7.801 ppm2 1.35
!# peak 964-----------------------------------------------
assi (attr store1 < 0.99 and attr store1 > 0.89)
    ((attr store1 < 7.850 and attr store1 > 7.750)
     and bondedto (attr store1 < 112.545 and attr store1 > 111.545))
6 6 0 peak 964 volume 10934590 hpm1 112.045 ppm1 7.800 ppm2 0.94
!# peak 965-----------------------------------------------
assi (attr store1 < 0.671 and attr store1 > 0.571)
    ((attr store1 < 7.852 and attr store1 > 7.752)
     and bondedto (attr store1 < 112.559 and attr store1 > 111.559))
6 6 0 peak 965 volume 5338562 hpm1 112.059 ppm1 7.802 ppm2 0.621
!# peak 966-----------------------------------------------
assi (attr store1 < 0.414 and attr store1 > 0.314)
    ((attr store1 < 7.850 and attr store1 > 7.750)
     and bondedto (attr store1 < 112.554 and attr store1 > 111.554))
6 6 0 peak 966 volume 13916880 hpm1 112.054 ppm1 7.800 ppm2 0.364
!# peak 967-----------------------------------------------
assi (attr store1 < 0.191 and attr store1 > 0.091)
    ((attr store1 < 7.851 and attr store1 > 7.751)
     and bondedto (attr store1 < 112.556 and attr store1 > 111.556))
6 6 0 peak 967 volume 15605129 hpm1 112.056 ppm1 7.801 ppm2 0.141
!# peak 970-----------------------------------------------
assi (attr store1 < 8.745 and attr store1 > 8.645)
    ((attr store1 < 9.173 and attr store1 > 9.073)
     and bondedto (attr store1 < 112.000 and attr store1 > 111.000))
6 6 0 peak 970 volume 1168949 hpm1 111.500 ppm1 9.123 ppm2 8.695
!# peak 971-----------------------------------------------
assi (attr store1 < 7.783 and attr store1 > 7.683)
    ((attr store1 < 9.172 and attr store1 > 9.072)
     and bondedto (attr store1 < 111.989 and attr store1 > 110.989))
6 6 0 peak 971 volume 4833914 hpm1 111.489 ppm1 9.122 ppm2 7.733
!# peak 972-----------------------------------------------
assi (attr store1 < 7.564 and attr store1 > 7.464)
    ((attr store1 < 9.169 and attr store1 > 9.069)
     and bondedto (attr store1 < 111.959 and attr store1 > 110.959))
6 6 0 peak 972 volume 1128153 hpm1 111.459 ppm1 9.119 ppm2 7.514
!# peak 973-----------------------------------------------
assi (attr store1 < 5.133 and attr store1 > 5.033)
    ((attr store1 < 9.173 and attr store1 > 9.073)
     and bondedto (attr store1 < 111.987 and attr store1 > 110.987))
6 6 0 peak 973 volume 21059470 hpm1 111.487 ppm1 9.123 ppm2 5.083
!# peak 975-----------------------------------------------
assi (attr store1 < 4.579 and attr store1 > 4.479)
    ((attr store1 < 9.173 and attr store1 > 9.073)
     and bondedto (attr store1 < 111.982 and attr store1 > 110.982))
6 6 0 peak 975 volume 33013210 hpm1 111.482 ppm1 9.123 ppm2 4.529
!# peak 976-----------------------------------------------
assi (attr store1 < 4.384 and attr store1 > 4.284)
    ((attr store1 < 9.173 and attr store1 > 9.073)
     and bondedto (attr store1 < 111.987 and attr store1 > 110.987))
6 6 0 peak 976 volume 5602813 hpm1 111.487 ppm1 9.123 ppm2 4.334
!# peak 977-----------------------------------------------
assi (attr store1 < 4.139 and attr store1 > 4.039)
    ((attr store1 < 9.173 and attr store1 > 9.073)
     and bondedto (attr store1 < 111.983 and attr store1 > 110.983))
6 6 0 peak 977 volume 11278920 hpm1 111.483 ppm1 9.123 ppm2 4.089
!# peak 978-----------------------------------------------
assi (attr store1 < 3.436 and attr store1 > 3.336)
    ((attr store1 < 9.173 and attr store1 > 9.073)
     and bondedto (attr store1 < 111.978 and attr store1 > 110.978))
6 6 0 peak 978 volume 4405065 hpm1 111.478 ppm1 9.123 ppm2 3.386
!# peak 979-----------------------------------------------
assi (attr store1 < 2.796 and attr store1 > 2.696)
    ((attr store1 < 9.172 and attr store1 > 9.072)
     and bondedto (attr store1 < 111.988 and attr store1 > 110.988))
6 6 0 peak 979 volume 4619675 hpm1 111.488 ppm1 9.122 ppm2 2.746
!# peak 980-----------------------------------------------
assi (attr store1 < 2.403 and attr store1 > 2.303)
    ((attr store1 < 9.173 and attr store1 > 9.073)
     and bondedto (attr store1 < 111.956 and attr store1 > 110.956))
6 6 0 peak 980 volume 0.8586564e+06 hpm1 111.456 ppm1 9.123 ppm2 2.353
!# peak 981-----------------------------------------------
assi (attr store1 < 1.309 and attr store1 > 1.209)
    ((attr store1 < 9.172 and attr store1 > 9.072)
     and bondedto (attr store1 < 111.990 and attr store1 > 110.990))
6 6 0 peak 981 volume 24977710 hpm1 111.490 ppm1 9.122 ppm2 1.259
!# peak 982-----------------------------------------------
assi (attr store1 < 11.517 and attr store1 > 11.417)
    ((attr store1 < 9.171 and attr store1 > 9.071)
     and bondedto (attr store1 < 111.976 and attr store1 > 110.976))
6 6 0 peak 982 volume 1332028 hpm1 111.476 ppm1 9.121 ppm2 11.467
!# peak 984-----------------------------------------------
assi (attr store1 < 7.549 and attr store1 > 7.449)
    ((attr store1 < 6.862 and attr store1 > 6.762)
     and bondedto (attr store1 < 111.792 and attr store1 > 110.792))
6 6 0 peak 984 volume 145419104 hpm1 111.292 ppm1 6.812 ppm2 7.499
!# peak 986-----------------------------------------------
assi (attr store1 < 6.891 and attr store1 > 6.791)
    ((attr store1 < 7.517 and attr store1 > 7.417)
     and bondedto (attr store1 < 111.806 and attr store1 > 110.806))
6 6 0 peak 986 volume 159913088 hpm1 111.306 ppm1 7.467 ppm2 6.841
!# peak 990-----------------------------------------------
assi (attr store1 < 2.516 and attr store1 > 2.416)
    ((attr store1 < 7.517 and attr store1 > 7.417)
     and bondedto (attr store1 < 111.789 and attr store1 > 110.789))
6 6 0 peak 990 volume 11426170 hpm1 111.289 ppm1 7.467 ppm2 2.466
!# peak 991-----------------------------------------------
assi (attr store1 < 2.412 and attr store1 > 2.312)
    ((attr store1 < 6.868 and attr store1 > 6.768)
     and bondedto (attr store1 < 111.812 and attr store1 > 110.812))
6 6 0 peak 991 volume 4468470 hpm1 111.312 ppm1 6.818 ppm2 2.362
!# peak 992-----------------------------------------------
assi (attr store1 < 1.8 and attr store1 > 1.7)
    ((attr store1 < 7.517 and attr store1 > 7.417)
     and bondedto (attr store1 < 111.785 and attr store1 > 110.785))
6 6 0 peak 992 volume 2220583 hpm1 111.285 ppm1 7.467 ppm2 1.75
!# peak 993-----------------------------------------------
assi (attr store1 < 1.684 and attr store1 > 1.584)
    ((attr store1 < 7.520 and attr store1 > 7.420)
     and bondedto (attr store1 < 111.802 and attr store1 > 110.802))
6 6 0 peak 993 volume 1049051 hpm1 111.302 ppm1 7.470 ppm2 1.634
!# peak 994-----------------------------------------------
assi (attr store1 < 0.986 and attr store1 > 0.886)
    ((attr store1 < 7.516 and attr store1 > 7.416)
     and bondedto (attr store1 < 111.823 and attr store1 > 110.823))
6 6 0 peak 994 volume 1865378 hpm1 111.323 ppm1 7.466 ppm2 0.936
!# peak 995-----------------------------------------------
assi (attr store1 < 0.963 and attr store1 > 0.863)
    ((attr store1 < 6.859 and attr store1 > 6.759)
     and bondedto (attr store1 < 111.794 and attr store1 > 110.794))
6 6 0 peak 995 volume 1479076 hpm1 111.294 ppm1 6.809 ppm2 0.913
!# peak 996-----------------------------------------------
assi (attr store1 < 9.065 and attr store1 > 8.965)
    ((attr store1 < 7.991 and attr store1 > 7.891)
     and bondedto (attr store1 < 111.629 and attr store1 > 110.629))
6 6 0 peak 996 volume 12774681 hpm1 111.129 ppm1 7.941 ppm2 9.015
!# peak 998-----------------------------------------------
assi (attr store1 < 7.421 and attr store1 > 7.321)
    ((attr store1 < 7.992 and attr store1 > 7.892)
     and bondedto (attr store1 < 111.636 and attr store1 > 110.636))
6 6 0 peak 998 volume 17922440 hpm1 111.136 ppm1 7.942 ppm2 7.371
!# peak 1000-----------------------------------------------
assi (attr store1 < 4.446 and attr store1 > 4.346)
    ((attr store1 < 7.992 and attr store1 > 7.892)
     and bondedto (attr store1 < 111.641 and attr store1 > 110.641))
6 6 0 peak 1000 volume 2050474 hpm1 111.141 ppm1 7.942 ppm2 4.396
!# peak 1001-----------------------------------------------
assi (attr store1 < 4.209 and attr store1 > 4.109)
    ((attr store1 < 7.992 and attr store1 > 7.892)
     and bondedto (attr store1 < 111.626 and attr store1 > 110.626))
6 6 0 peak 1001 volume 12884140 hpm1 111.126 ppm1 7.942 ppm2 4.159
!# peak 1002-----------------------------------------------
assi (attr store1 < 3.877 and attr store1 > 3.777)
    ((attr store1 < 7.993 and attr store1 > 7.893)
     and bondedto (attr store1 < 111.637 and attr store1 > 110.637))
6 6 0 peak 1002 volume 4678653 hpm1 111.137 ppm1 7.943 ppm2 3.827
!# peak 1003-----------------------------------------------
assi (attr store1 < 3.653 and attr store1 > 3.553)
    ((attr store1 < 7.991 and attr store1 > 7.891)
     and bondedto (attr store1 < 111.624 and attr store1 > 110.624))
6 6 0 peak 1003 volume 4599617 hpm1 111.124 ppm1 7.941 ppm2 3.603
!# peak 1004-----------------------------------------------
assi (attr store1 < 2.853 and attr store1 > 2.753)
    ((attr store1 < 7.991 and attr store1 > 7.891)
     and bondedto (attr store1 < 111.629 and attr store1 > 110.629))
6 6 0 peak 1004 volume 42768128 hpm1 111.129 ppm1 7.941 ppm2 2.803
!# peak 1005-----------------------------------------------
assi (attr store1 < 2.399 and attr store1 > 2.299)
    ((attr store1 < 7.992 and attr store1 > 7.892)
     and bondedto (attr store1 < 111.601 and attr store1 > 110.601))
6 6 0 peak 1005 volume 2787350 hpm1 111.101 ppm1 7.942 ppm2 2.349
!# peak 1006-----------------------------------------------
assi (attr store1 < 2.04 and attr store1 > 1.94)
    ((attr store1 < 7.991 and attr store1 > 7.891)
     and bondedto (attr store1 < 111.631 and attr store1 > 110.631))
6 6 0 peak 1006 volume 36458700 hpm1 111.131 ppm1 7.941 ppm2 1.99
!# peak 1007-----------------------------------------------
assi (attr store1 < 1.789 and attr store1 > 1.689)
    ((attr store1 < 7.991 and attr store1 > 7.891)
     and bondedto (attr store1 < 111.630 and attr store1 > 110.630))
6 6 0 peak 1007 volume 37404112 hpm1 111.130 ppm1 7.941 ppm2 1.739
!# peak 1008-----------------------------------------------
assi (attr store1 < 1.366 and attr store1 > 1.266)
    ((attr store1 < 7.992 and attr store1 > 7.892)
     and bondedto (attr store1 < 111.637 and attr store1 > 110.637))
6 6 0 peak 1008 volume 4415866 hpm1 111.137 ppm1 7.942 ppm2 1.316
!# peak 1009-----------------------------------------------
assi (attr store1 < 1.179 and attr store1 > 1.079)
    ((attr store1 < 7.992 and attr store1 > 7.892)
     and bondedto (attr store1 < 111.628 and attr store1 > 110.628))
6 6 0 peak 1009 volume 5837781 hpm1 111.128 ppm1 7.942 ppm2 1.129
!# peak 1010-----------------------------------------------
assi (attr store1 < 1.03 and attr store1 > 0.93)
    ((attr store1 < 7.991 and attr store1 > 7.891)
     and bondedto (attr store1 < 111.630 and attr store1 > 110.630))
6 6 0 peak 1010 volume 5665830 hpm1 111.130 ppm1 7.941 ppm2 0.98
!# peak 1011-----------------------------------------------
assi (attr store1 < 0.575 and attr store1 > 0.475)
    ((attr store1 < 7.991 and attr store1 > 7.891)
     and bondedto (attr store1 < 111.633 and attr store1 > 110.633))
6 6 0 peak 1011 volume 2553674 hpm1 111.133 ppm1 7.941 ppm2 0.525
!# peak 1012-----------------------------------------------
assi (attr store1 < 0.417 and attr store1 > 0.317)
    ((attr store1 < 7.992 and attr store1 > 7.892)
     and bondedto (attr store1 < 111.593 and attr store1 > 110.593))
6 6 0 peak 1012 volume 0.1265985e+07 hpm1 111.093 ppm1 7.942 ppm2 0.367
!# peak 1013-----------------------------------------------
assi (attr store1 < 8.316 and attr store1 > 8.216)
    ((attr store1 < 7.465 and attr store1 > 7.365)
     and bondedto (attr store1 < 111.214 and attr store1 > 110.214))
6 6 0 peak 1013 volume 2326626 hpm1 110.714 ppm1 7.415 ppm2 8.266
!# peak 1014-----------------------------------------------
assi (attr store1 < 7.512 and attr store1 > 7.412)
    ((attr store1 < 6.582 and attr store1 > 6.482)
     and bondedto (attr store1 < 111.279 and attr store1 > 110.279))
6 6 0 peak 1014 volume 37075800 hpm1 110.779 ppm1 6.532 ppm2 7.462
!# peak 1015-----------------------------------------------
assi (attr store1 < 7.201 and attr store1 > 7.101)
    ((attr store1 < 6.581 and attr store1 > 6.481)
     and bondedto (attr store1 < 111.254 and attr store1 > 110.254))
6 6 0 peak 1015 volume 2552739 hpm1 110.754 ppm1 6.531 ppm2 7.151
!# peak 1016-----------------------------------------------
assi (attr store1 < 6.612 and attr store1 > 6.512)
    ((attr store1 < 7.483 and attr store1 > 7.383)
     and bondedto (attr store1 < 111.282 and attr store1 > 110.282))
6 6 0 peak 1016 volume 37337088 hpm1 110.782 ppm1 7.433 ppm2 6.562
!# peak 1018-----------------------------------------------
assi (attr store1 < 5.048 and attr store1 > 4.948)
    ((attr store1 < 7.456 and attr store1 > 7.356)
     and bondedto (attr store1 < 111.253 and attr store1 > 110.253))
6 6 0 peak 1018 volume 1418381 hpm1 110.753 ppm1 7.406 ppm2 4.998
!# peak 1021-----------------------------------------------
assi (attr store1 < 4.406 and attr store1 > 4.306)
    ((attr store1 < 7.453 and attr store1 > 7.353)
     and bondedto (attr store1 < 111.253 and attr store1 > 110.253))
6 6 0 peak 1021 volume 2846734 hpm1 110.753 ppm1 7.403 ppm2 4.356
!# peak 1022-----------------------------------------------
assi (attr store1 < 4 and attr store1 > 3.9)
    ((attr store1 < 7.462 and attr store1 > 7.362)
     and bondedto (attr store1 < 111.259 and attr store1 > 110.259))
6 6 0 peak 1022 volume 7276542 hpm1 110.759 ppm1 7.412 ppm2 3.95
!# peak 1023-----------------------------------------------
assi (attr store1 < 3.965 and attr store1 > 3.865)
    ((attr store1 < 6.920 and attr store1 > 6.820)
     and bondedto (attr store1 < 111.268 and attr store1 > 110.268))
6 6 0 peak 1023 volume 1222285 hpm1 110.768 ppm1 6.870 ppm2 3.915
!# peak 1024-----------------------------------------------
assi (attr store1 < 3.783 and attr store1 > 3.683)
    ((attr store1 < 7.483 and attr store1 > 7.383)
     and bondedto (attr store1 < 111.289 and attr store1 > 110.289))
6 6 0 peak 1024 volume 4717471 hpm1 110.789 ppm1 7.433 ppm2 3.733
!# peak 1025-----------------------------------------------
assi (attr store1 < 4.037 and attr store1 > 3.937)
    ((attr store1 < 6.582 and attr store1 > 6.482)
     and bondedto (attr store1 < 111.288 and attr store1 > 110.288))
6 6 0 peak 1025 volume 4054928 hpm1 110.788 ppm1 6.532 ppm2 3.987
!# peak 1026-----------------------------------------------
assi (attr store1 < 3.067 and attr store1 > 2.967)
    ((attr store1 < 7.483 and attr store1 > 7.383)
     and bondedto (attr store1 < 111.281 and attr store1 > 110.281))
6 6 0 peak 1026 volume 6010421 hpm1 110.781 ppm1 7.433 ppm2 3.017
!# peak 1027-----------------------------------------------
assi (attr store1 < 3.065 and attr store1 > 2.965)
    ((attr store1 < 6.581 and attr store1 > 6.481)
     and bondedto (attr store1 < 111.257 and attr store1 > 110.257))
6 6 0 peak 1027 volume 6272669 hpm1 110.757 ppm1 6.531 ppm2 3.015
!# peak 1028-----------------------------------------------
assi (attr store1 < 2.396 and attr store1 > 2.296)
    ((attr store1 < 7.474 and attr store1 > 7.374)
     and bondedto (attr store1 < 111.275 and attr store1 > 110.275))
6 6 0 peak 1028 volume 24643180 hpm1 110.775 ppm1 7.424 ppm2 2.346
!# peak 1029-----------------------------------------------
assi (attr store1 < 2.384 and attr store1 > 2.284)
    ((attr store1 < 6.581 and attr store1 > 6.481)
     and bondedto (attr store1 < 111.273 and attr store1 > 110.273))
6 6 0 peak 1029 volume 5084728 hpm1 110.773 ppm1 6.531 ppm2 2.334
!# peak 1030-----------------------------------------------
assi (attr store1 < 2.251 and attr store1 > 2.151)
    ((attr store1 < 6.919 and attr store1 > 6.819)
     and bondedto (attr store1 < 111.214 and attr store1 > 110.214))
6 6 0 peak 1030 volume 1966406 hpm1 110.714 ppm1 6.869 ppm2 2.201
!# peak 1031-----------------------------------------------
assi (attr store1 < 2.075 and attr store1 > 1.975)
    ((attr store1 < 7.484 and attr store1 > 7.384)
     and bondedto (attr store1 < 111.301 and attr store1 > 110.301))
6 6 0 peak 1031 volume 4475537 hpm1 110.801 ppm1 7.434 ppm2 2.025
!# peak 1032-----------------------------------------------
assi (attr store1 < 2.067 and attr store1 > 1.967)
    ((attr store1 < 6.585 and attr store1 > 6.485)
     and bondedto (attr store1 < 111.290 and attr store1 > 110.290))
6 6 0 peak 1032 volume 1389517 hpm1 110.790 ppm1 6.535 ppm2 2.017
!# peak 1033-----------------------------------------------
assi (attr store1 < 1.449 and attr store1 > 1.349)
    ((attr store1 < 6.936 and attr store1 > 6.836)
     and bondedto (attr store1 < 111.278 and attr store1 > 110.278))
6 6 0 peak 1033 volume 1193911 hpm1 110.778 ppm1 6.886 ppm2 1.399
!# peak 1034-----------------------------------------------
assi (attr store1 < 1.348 and attr store1 > 1.248)
    ((attr store1 < 7.475 and attr store1 > 7.375)
     and bondedto (attr store1 < 111.254 and attr store1 > 110.254))
6 6 0 peak 1034 volume 3964911 hpm1 110.754 ppm1 7.425 ppm2 1.298
!# peak 1036-----------------------------------------------
assi (attr store1 < 0.821 and attr store1 > 0.721)
    ((attr store1 < 7.482 and attr store1 > 7.382)
     and bondedto (attr store1 < 111.276 and attr store1 > 110.276))
6 6 0 peak 1036 volume 10592350 hpm1 110.776 ppm1 7.432 ppm2 0.771
!# peak 1039-----------------------------------------------
assi (attr store1 < 1.476 and attr store1 > 1.376)
    ((attr store1 < 7.452 and attr store1 > 7.352)
     and bondedto (attr store1 < 111.185 and attr store1 > 110.185))
6 6 0 peak 1039 volume 4610586 hpm1 110.685 ppm1 7.402 ppm2 1.426
!# peak 1040-----------------------------------------------
assi (attr store1 < 8.34 and attr store1 > 8.24)
    ((attr store1 < 7.214 and attr store1 > 7.114)
     and bondedto (attr store1 < 110.953 and attr store1 > 109.953))
6 6 0 peak 1040 volume 2431936 hpm1 110.453 ppm1 7.164 ppm2 8.29
!# peak 1041-----------------------------------------------
assi (attr store1 < 7.889 and attr store1 > 7.789)
    ((attr store1 < 7.215 and attr store1 > 7.115)
     and bondedto (attr store1 < 110.94 and attr store1 > 109.94))
6 6 0 peak 1041 volume 40222380 hpm1 110.44 ppm1 7.165 ppm2 7.839
!# peak 1043-----------------------------------------------
assi (attr store1 < 6.923 and attr store1 > 6.823)
    ((attr store1 < 7.214 and attr store1 > 7.114)
     and bondedto (attr store1 < 110.933 and attr store1 > 109.933))
6 6 0 peak 1043 volume 2076901 hpm1 110.433 ppm1 7.164 ppm2 6.873
!# peak 1044-----------------------------------------------
assi (attr store1 < 6.939 and attr store1 > 6.839)
    ((attr store1 < 6.585 and attr store1 > 6.485)
     and bondedto (attr store1 < 110.864 and attr store1 > 109.864))
6 6 0 peak 1044 volume 1307465 hpm1 110.364 ppm1 6.535 ppm2 6.889
!# peak 1046-----------------------------------------------
assi (attr store1 < 4.548 and attr store1 > 4.448)
    ((attr store1 < 7.215 and attr store1 > 7.115)
     and bondedto (attr store1 < 110.936 and attr store1 > 109.936))
6 6 0 peak 1046 volume 7277637 hpm1 110.436 ppm1 7.165 ppm2 4.498
!# peak 1047-----------------------------------------------
assi (attr store1 < 4.038 and attr store1 > 3.938)
    ((attr store1 < 7.219 and attr store1 > 7.119)
     and bondedto (attr store1 < 110.940 and attr store1 > 109.940))
6 6 0 peak 1047 volume 39919700 hpm1 110.440 ppm1 7.169 ppm2 3.988
!# peak 1048-----------------------------------------------
assi (attr store1 < 3.425 and attr store1 > 3.325)
    ((attr store1 < 7.215 and attr store1 > 7.115)
     and bondedto (attr store1 < 110.943 and attr store1 > 109.943))
6 6 0 peak 1048 volume 9252925 hpm1 110.443 ppm1 7.165 ppm2 3.375
!# peak 1049-----------------------------------------------
assi (attr store1 < 3.246 and attr store1 > 3.146)
    ((attr store1 < 7.215 and attr store1 > 7.115)
     and bondedto (attr store1 < 110.928 and attr store1 > 109.928))
6 6 0 peak 1049 volume 0.3437856e+07 hpm1 110.428 ppm1 7.165 ppm2 3.196
!# peak 1050-----------------------------------------------
assi (attr store1 < 2.485 and attr store1 > 2.385)
    ((attr store1 < 7.215 and attr store1 > 7.115)
     and bondedto (attr store1 < 110.937 and attr store1 > 109.937))
6 6 0 peak 1050 volume 5575219 hpm1 110.437 ppm1 7.165 ppm2 2.435
!# peak 1051-----------------------------------------------
assi (attr store1 < 1.796 and attr store1 > 1.696)
    ((attr store1 < 7.216 and attr store1 > 7.116)
     and bondedto (attr store1 < 110.940 and attr store1 > 109.940))
6 6 0 peak 1051 volume 3127492 hpm1 110.440 ppm1 7.166 ppm2 1.746
!# peak 1052-----------------------------------------------
assi (attr store1 < 1.627 and attr store1 > 1.527)
    ((attr store1 < 7.215 and attr store1 > 7.115)
     and bondedto (attr store1 < 110.936 and attr store1 > 109.936))
6 6 0 peak 1052 volume 6608703 hpm1 110.436 ppm1 7.165 ppm2 1.577
!# peak 1053-----------------------------------------------
assi (attr store1 < 1.396 and attr store1 > 1.296)
    ((attr store1 < 7.217 and attr store1 > 7.117)
     and bondedto (attr store1 < 110.946 and attr store1 > 109.946))
6 6 0 peak 1053 volume 3205584 hpm1 110.446 ppm1 7.167 ppm2 1.346
!# peak 1054-----------------------------------------------
assi (attr store1 < 0.896 and attr store1 > 0.796)
    ((attr store1 < 7.217 and attr store1 > 7.117)
     and bondedto (attr store1 < 110.930 and attr store1 > 109.930))
6 6 0 peak 1054 volume 5451975 hpm1 110.430 ppm1 7.167 ppm2 0.846
!# peak 1055-----------------------------------------------
assi (attr store1 < 0.674 and attr store1 > 0.574)
    ((attr store1 < 7.215 and attr store1 > 7.115)
     and bondedto (attr store1 < 110.926 and attr store1 > 109.926))
6 6 0 peak 1055 volume 1842230 hpm1 110.426 ppm1 7.165 ppm2 0.624
!# peak 1056-----------------------------------------------
assi (attr store1 < 0.417 and attr store1 > 0.317)
    ((attr store1 < 7.218 and attr store1 > 7.118)
     and bondedto (attr store1 < 110.952 and attr store1 > 109.952))
6 6 0 peak 1056 volume 1913925 hpm1 110.452 ppm1 7.168 ppm2 0.367
!# peak 1057-----------------------------------------------
assi (attr store1 < 0.19 and attr store1 > 0.09)
    ((attr store1 < 7.212 and attr store1 > 7.112)
     and bondedto (attr store1 < 110.900 and attr store1 > 109.900))
6 6 0 peak 1057 volume 1262473 hpm1 110.400 ppm1 7.162 ppm2 0.14
!# peak 1060-----------------------------------------------
assi (attr store1 < 7.039 and attr store1 > 6.939)
    ((attr store1 < 6.734 and attr store1 > 6.634)
     and bondedto (attr store1 < 110.573 and attr store1 > 109.573))
6 6 0 peak 1060 volume 112370600 hpm1 110.073 ppm1 6.684 ppm2 6.989
!# peak 1061-----------------------------------------------
assi (attr store1 < 6.759 and attr store1 > 6.659)
    ((attr store1 < 7.017 and attr store1 > 6.917)
     and bondedto (attr store1 < 110.576 and attr store1 > 109.576))
6 6 0 peak 1061 volume 104878400 hpm1 110.076 ppm1 6.967 ppm2 6.709
!# peak 1064-----------------------------------------------
assi (attr store1 < 4.144 and attr store1 > 4.044)
    ((attr store1 < 7.029 and attr store1 > 6.929)
     and bondedto (attr store1 < 110.556 and attr store1 > 109.556))
6 6 0 peak 1064 volume 1418857 hpm1 110.056 ppm1 6.979 ppm2 4.094
!# peak 1065-----------------------------------------------
assi (attr store1 < 2.579 and attr store1 > 2.479)
    ((attr store1 < 7.016 and attr store1 > 6.916)
     and bondedto (attr store1 < 110.583 and attr store1 > 109.583))
6 6 0 peak 1065 volume 6740530 hpm1 110.083 ppm1 6.966 ppm2 2.529
!# peak 1066-----------------------------------------------
assi (attr store1 < 2.576 and attr store1 > 2.476)
    ((attr store1 < 6.734 and attr store1 > 6.634)
     and bondedto (attr store1 < 110.566 and attr store1 > 109.566))
6 6 0 peak 1066 volume 5368251 hpm1 110.066 ppm1 6.684 ppm2 2.526
!# peak 1067-----------------------------------------------
assi (attr store1 < 2.34 and attr store1 > 2.24)
    ((attr store1 < 6.735 and attr store1 > 6.635)
     and bondedto (attr store1 < 110.553 and attr store1 > 109.553))
6 6 0 peak 1067 volume 4724398 hpm1 110.053 ppm1 6.685 ppm2 2.29
!# peak 1068-----------------------------------------------
assi (attr store1 < 2.318 and attr store1 > 2.218)
    ((attr store1 < 7.017 and attr store1 > 6.917)
     and bondedto (attr store1 < 110.572 and attr store1 > 109.572))
6 6 0 peak 1068 volume 5581970 hpm1 110.072 ppm1 6.967 ppm2 2.268
!# peak 1069-----------------------------------------------
assi (attr store1 < 2.056 and attr store1 > 1.956)
    ((attr store1 < 7.018 and attr store1 > 6.918)
     and bondedto (attr store1 < 110.580 and attr store1 > 109.580))
6 6 0 peak 1069 volume 4026129 hpm1 110.080 ppm1 6.968 ppm2 2.006
!# peak 1070-----------------------------------------------
assi (attr store1 < 2.04 and attr store1 > 1.94)
    ((attr store1 < 6.737 and attr store1 > 6.637)
     and bondedto (attr store1 < 110.579 and attr store1 > 109.579))
6 6 0 peak 1070 volume 2225483 hpm1 110.079 ppm1 6.687 ppm2 1.99
!# peak 1071-----------------------------------------------
assi (attr store1 < 7.85 and attr store1 > 7.75)
    ((attr store1 < 11.916 and attr store1 > 11.816)
     and bondedto (attr store1 < 110.215 and attr store1 > 109.215))
6 6 0 peak 1071 volume 5921443 hpm1 109.715 ppm1 11.866 ppm2 7.8
!# peak 1072-----------------------------------------------
assi (attr store1 < 7.267 and attr store1 > 7.167)
    ((attr store1 < 11.914 and attr store1 > 11.814)
     and bondedto (attr store1 < 110.217 and attr store1 > 109.217))
6 6 0 peak 1072 volume 12641831 hpm1 109.717 ppm1 11.864 ppm2 7.217
!# peak 1073-----------------------------------------------
assi (attr store1 < 0.907 and attr store1 > 0.807)
    ((attr store1 < 11.896 and attr store1 > 11.796)
     and bondedto (attr store1 < 110.156 and attr store1 > 109.156))
6 6 0 peak 1073 volume 2080871 hpm1 109.656 ppm1 11.846 ppm2 0.857
!# peak 1074-----------------------------------------------
assi (attr store1 < 0.426 and attr store1 > 0.326)
    ((attr store1 < 11.919 and attr store1 > 11.819)
     and bondedto (attr store1 < 110.234 and attr store1 > 109.234))
6 6 0 peak 1074 volume 34410488 hpm1 109.734 ppm1 11.869 ppm2 0.376
!# peak 1076-----------------------------------------------
assi (attr store1 < 7.738 and attr store1 > 7.638)
    ((attr store1 < 6.970 and attr store1 > 6.870)
     and bondedto (attr store1 < 109.973 and attr store1 > 108.973))
6 6 0 peak 1076 volume 71745440 hpm1 109.473 ppm1 6.920 ppm2 7.688
!# peak 1077-----------------------------------------------
assi (attr store1 < 6.989 and attr store1 > 6.889)
    ((attr store1 < 7.704 and attr store1 > 7.604)
     and bondedto (attr store1 < 109.971 and attr store1 > 108.971))
6 6 0 peak 1077 volume 63227688 hpm1 109.471 ppm1 7.654 ppm2 6.939
!# peak 1081-----------------------------------------------
assi (attr store1 < 3.277 and attr store1 > 3.177)
    ((attr store1 < 7.706 and attr store1 > 7.606)
     and bondedto (attr store1 < 109.957 and attr store1 > 108.957))
6 6 0 peak 1081 volume 9292719 hpm1 109.457 ppm1 7.656 ppm2 3.227
!# peak 1082-----------------------------------------------
assi (attr store1 < 3.282 and attr store1 > 3.182)
    ((attr store1 < 6.971 and attr store1 > 6.871)
     and bondedto (attr store1 < 109.970 and attr store1 > 108.970))
6 6 0 peak 1082 volume 5244410 hpm1 109.470 ppm1 6.921 ppm2 3.232
!# peak 1083-----------------------------------------------
assi (attr store1 < 2.875 and attr store1 > 2.775)
    ((attr store1 < 7.704 and attr store1 > 7.604)
     and bondedto (attr store1 < 109.962 and attr store1 > 108.962))
6 6 0 peak 1083 volume 11604240 hpm1 109.462 ppm1 7.654 ppm2 2.825
!# peak 1084-----------------------------------------------
assi (attr store1 < 2.878 and attr store1 > 2.778)
    ((attr store1 < 6.971 and attr store1 > 6.871)
     and bondedto (attr store1 < 109.966 and attr store1 > 108.966))
6 6 0 peak 1084 volume 8513793 hpm1 109.466 ppm1 6.921 ppm2 2.828
!# peak 1085-----------------------------------------------
assi (attr store1 < 1.922 and attr store1 > 1.822)
    ((attr store1 < 7.701 and attr store1 > 7.601)
     and bondedto (attr store1 < 109.984 and attr store1 > 108.984))
6 6 0 peak 1085 volume 1357620 hpm1 109.484 ppm1 7.651 ppm2 1.872
!# peak 1086-----------------------------------------------
assi (attr store1 < 1.911 and attr store1 > 1.811)
    ((attr store1 < 6.967 and attr store1 > 6.867)
     and bondedto (attr store1 < 109.969 and attr store1 > 108.969))
6 6 0 peak 1086 volume 3461510 hpm1 109.469 ppm1 6.917 ppm2 1.861
!# peak 1087-----------------------------------------------
assi (attr store1 < 1.721 and attr store1 > 1.621)
    ((attr store1 < 7.706 and attr store1 > 7.606)
     and bondedto (attr store1 < 109.958 and attr store1 > 108.958))
6 6 0 peak 1087 volume 4845210 hpm1 109.458 ppm1 7.656 ppm2 1.671
!# peak 1088-----------------------------------------------
assi (attr store1 < 1.72 and attr store1 > 1.62)
    ((attr store1 < 6.969 and attr store1 > 6.869)
     and bondedto (attr store1 < 109.961 and attr store1 > 108.961))
6 6 0 peak 1088 volume 6630549 hpm1 109.461 ppm1 6.919 ppm2 1.67
!# peak 1089-----------------------------------------------
assi (attr store1 < 1.218 and attr store1 > 1.118)
    ((attr store1 < 7.704 and attr store1 > 7.604)
     and bondedto (attr store1 < 109.970 and attr store1 > 108.970))
6 6 0 peak 1089 volume 3392908 hpm1 109.470 ppm1 7.654 ppm2 1.168
!# peak 1090-----------------------------------------------
assi (attr store1 < 1.217 and attr store1 > 1.117)
    ((attr store1 < 6.971 and attr store1 > 6.871)
     and bondedto (attr store1 < 109.969 and attr store1 > 108.969))
6 6 0 peak 1090 volume 2948072 hpm1 109.469 ppm1 6.921 ppm2 1.167
!# peak 1091-----------------------------------------------
assi (attr store1 < 0.901 and attr store1 > 0.801)
    ((attr store1 < 7.703 and attr store1 > 7.603)
     and bondedto (attr store1 < 109.966 and attr store1 > 108.966))
6 6 0 peak 1091 volume 3864929 hpm1 109.466 ppm1 7.653 ppm2 0.851
!# peak 1092-----------------------------------------------
assi (attr store1 < 0.903 and attr store1 > 0.803)
    ((attr store1 < 6.971 and attr store1 > 6.871)
     and bondedto (attr store1 < 109.958 and attr store1 > 108.958))
6 6 0 peak 1092 volume 8445638 hpm1 109.458 ppm1 6.921 ppm2 0.853
!# peak 1097-----------------------------------------------
assi (attr store1 < 7.762 and attr store1 > 7.662)
    ((attr store1 < 7.877 and attr store1 > 7.777)
     and bondedto (attr store1 < 108.312 and attr store1 > 107.312))
6 6 0 peak 1097 volume 104335000 hpm1 107.812 ppm1 7.827 ppm2 7.712
!# peak 1098-----------------------------------------------
assi (attr store1 < 7.552 and attr store1 > 7.452)
    ((attr store1 < 7.873 and attr store1 > 7.773)
     and bondedto (attr store1 < 108.319 and attr store1 > 107.319))
6 6 0 peak 1098 volume 1626673 hpm1 107.819 ppm1 7.823 ppm2 7.502
!# peak 1100-----------------------------------------------
assi (attr store1 < 4.042 and attr store1 > 3.942)
    ((attr store1 < 7.874 and attr store1 > 7.774)
     and bondedto (attr store1 < 108.312 and attr store1 > 107.312))
6 6 0 peak 1100 volume 8470011 hpm1 107.812 ppm1 7.824 ppm2 3.992
!# peak 1101-----------------------------------------------
assi (attr store1 < 3.84 and attr store1 > 3.74)
    ((attr store1 < 7.874 and attr store1 > 7.774)
     and bondedto (attr store1 < 108.308 and attr store1 > 107.308))
6 6 0 peak 1101 volume 4824169 hpm1 107.808 ppm1 7.824 ppm2 3.79
!# peak 1102-----------------------------------------------
assi (attr store1 < 3.457 and attr store1 > 3.357)
    ((attr store1 < 7.871 and attr store1 > 7.771)
     and bondedto (attr store1 < 108.314 and attr store1 > 107.314))
6 6 0 peak 1102 volume 15001750 hpm1 107.814 ppm1 7.821 ppm2 3.407
!# peak 1103-----------------------------------------------
assi (attr store1 < 2.847 and attr store1 > 2.747)
    ((attr store1 < 7.874 and attr store1 > 7.774)
     and bondedto (attr store1 < 108.303 and attr store1 > 107.303))
6 6 0 peak 1103 volume 4331598 hpm1 107.803 ppm1 7.824 ppm2 2.797
!# peak 1104-----------------------------------------------
assi (attr store1 < 2.446 and attr store1 > 2.346)
    ((attr store1 < 7.874 and attr store1 > 7.774)
     and bondedto (attr store1 < 108.304 and attr store1 > 107.304))
6 6 0 peak 1104 volume 1671364 hpm1 107.804 ppm1 7.824 ppm2 2.396
!# peak 1105-----------------------------------------------
assi (attr store1 < 1.839 and attr store1 > 1.739)
    ((attr store1 < 7.875 and attr store1 > 7.775)
     and bondedto (attr store1 < 108.317 and attr store1 > 107.317))
6 6 0 peak 1105 volume 5714588 hpm1 107.817 ppm1 7.825 ppm2 1.789
!# peak 1106-----------------------------------------------
assi (attr store1 < 1.439 and attr store1 > 1.339)
    ((attr store1 < 7.874 and attr store1 > 7.774)
     and bondedto (attr store1 < 108.311 and attr store1 > 107.311))
6 6 0 peak 1106 volume 10958850 hpm1 107.811 ppm1 7.824 ppm2 1.389
!# peak 1107-----------------------------------------------
assi (attr store1 < 1.209 and attr store1 > 1.109)
    ((attr store1 < 7.874 and attr store1 > 7.774)
     and bondedto (attr store1 < 108.313 and attr store1 > 107.313))
6 6 0 peak 1107 volume 32560890 hpm1 107.813 ppm1 7.824 ppm2 1.159
!# peak 1108-----------------------------------------------
assi (attr store1 < 1.01 and attr store1 > 0.91)
    ((attr store1 < 7.872 and attr store1 > 7.772)
     and bondedto (attr store1 < 108.314 and attr store1 > 107.314))
6 6 0 peak 1108 volume 5338736 hpm1 107.814 ppm1 7.822 ppm2 0.96
!# peak 1109-----------------------------------------------
assi (attr store1 < 0.498 and attr store1 > 0.398)
    ((attr store1 < 7.874 and attr store1 > 7.774)
     and bondedto (attr store1 < 108.310 and attr store1 > 107.310))
6 6 0 peak 1109 volume 4278946 hpm1 107.810 ppm1 7.824 ppm2 0.448
!# peak 1110-----------------------------------------------
assi (attr store1 < -0.129 and attr store1 > -0.229)
    ((attr store1 < 7.874 and attr store1 > 7.774)
     and bondedto (attr store1 < 108.31 and attr store1 > 107.31))
6 6 0 peak 1110 volume 2145789 hpm1 107.81 ppm1 7.824 ppm2 -0.179
!# peak 1122-----------------------------------------------
assi (attr store1 < 3.252 and attr store1 > 3.152)
    ((attr store1 < 7.352 and attr store1 > 7.252)
     and bondedto (attr store1 < 107.835 and attr store1 > 106.835))
6 6 0 peak 1122 volume 6959004 hpm1 107.335 ppm1 7.302 ppm2 3.202
!# peak 1123-----------------------------------------------
assi (attr store1 < 2.195 and attr store1 > 2.095)
    ((attr store1 < 7.344 and attr store1 > 7.244)
     and bondedto (attr store1 < 107.807 and attr store1 > 106.807))
6 6 0 peak 1123 volume 2309204 hpm1 107.307 ppm1 7.294 ppm2 2.145
!# peak 1124-----------------------------------------------
assi (attr store1 < 2.027 and attr store1 > 1.927)
    ((attr store1 < 7.349 and attr store1 > 7.249)
     and bondedto (attr store1 < 107.809 and attr store1 > 106.809))
6 6 0 peak 1124 volume 2313238 hpm1 107.309 ppm1 7.299 ppm2 1.977
!# peak 1125-----------------------------------------------
assi (attr store1 < 1.689 and attr store1 > 1.589)
    ((attr store1 < 7.353 and attr store1 > 7.253)
     and bondedto (attr store1 < 107.843 and attr store1 > 106.843))
6 6 0 peak 1125 volume 2775051 hpm1 107.343 ppm1 7.303 ppm2 1.639
!# peak 1126-----------------------------------------------
assi (attr store1 < 0.823 and attr store1 > 0.723)
    ((attr store1 < 7.867 and attr store1 > 7.767)
     and bondedto (attr store1 < 108.293 and attr store1 > 107.293))
6 6 0 peak 1126 volume 1768956 hpm1 107.793 ppm1 7.817 ppm2 0.773
!# peak 1127-----------------------------------------------
assi (attr store1 < 4.461 and attr store1 > 4.361)
    ((attr store1 < 7.878 and attr store1 > 7.778)
     and bondedto (attr store1 < 108.326 and attr store1 > 107.326))
6 6 0 peak 1127 volume 2499100 hpm1 107.826 ppm1 7.828 ppm2 4.411
!# peak 1128-----------------------------------------------
assi (attr store1 < 3.563 and attr store1 > 3.463)
    ((attr store1 < 7.873 and attr store1 > 7.773)
     and bondedto (attr store1 < 108.316 and attr store1 > 107.316))
6 6 0 peak 1128 volume 21878920 hpm1 107.816 ppm1 7.823 ppm2 3.513
!# peak 1129-----------------------------------------------
assi (attr store1 < 7.298 and attr store1 > 7.198)
    ((attr store1 < 7.880 and attr store1 > 7.780)
     and bondedto (attr store1 < 108.313 and attr store1 > 107.313))
6 6 0 peak 1129 volume 1175904 hpm1 107.813 ppm1 7.830 ppm2 7.248
!# peak 1132-----------------------------------------------
assi (attr store1 < 4.941 and attr store1 > 4.841)
    ((attr store1 < 7.709 and attr store1 > 7.609)
     and bondedto (attr store1 < 109.961 and attr store1 > 108.961))
6 6 0 peak 1132 volume 0.6736006e+06 hpm1 109.461 ppm1 7.659 ppm2 4.891
!# peak 1133-----------------------------------------------
assi (attr store1 < 4.937 and attr store1 > 4.837)
    ((attr store1 < 6.968 and attr store1 > 6.868)
     and bondedto (attr store1 < 110.009 and attr store1 > 109.009))
6 6 0 peak 1133 volume 1044434 hpm1 109.509 ppm1 6.918 ppm2 4.887
!# peak 1134-----------------------------------------------
assi (attr store1 < 8.995 and attr store1 > 8.895)
    ((attr store1 < 7.698 and attr store1 > 7.598)
     and bondedto (attr store1 < 109.964 and attr store1 > 108.964))
6 6 0 peak 1134 volume 1941746 hpm1 109.464 ppm1 7.648 ppm2 8.945
!# peak 1135-----------------------------------------------
assi (attr store1 < 8.993 and attr store1 > 8.893)
    ((attr store1 < 6.966 and attr store1 > 6.866)
     and bondedto (attr store1 < 110.031 and attr store1 > 109.031))
6 6 0 peak 1135 volume 0.4757383e+06 hpm1 109.531 ppm1 6.916 ppm2 8.943
!# peak 1136-----------------------------------------------
assi (attr store1 < 8.506 and attr store1 > 8.406)
    ((attr store1 < 7.722 and attr store1 > 7.622)
     and bondedto (attr store1 < 109.975 and attr store1 > 108.975))
6 6 0 peak 1136 volume 1420805 hpm1 109.475 ppm1 7.672 ppm2 8.456
!# peak 1137-----------------------------------------------
assi (attr store1 < 8.503 and attr store1 > 8.403)
    ((attr store1 < 6.971 and attr store1 > 6.871)
     and bondedto (attr store1 < 109.990 and attr store1 > 108.990))
6 6 0 peak 1137 volume 0.2754236e+07 hpm1 109.490 ppm1 6.921 ppm2 8.453
!# peak 1138-----------------------------------------------
assi (attr store1 < 0.806 and attr store1 > 0.706)
    ((attr store1 < 6.735 and attr store1 > 6.635)
     and bondedto (attr store1 < 110.552 and attr store1 > 109.552))
6 6 0 peak 1138 volume 1122070 hpm1 110.052 ppm1 6.685 ppm2 0.756
!# peak 1139-----------------------------------------------
assi (attr store1 < 0.777 and attr store1 > 0.677)
    ((attr store1 < 7.027 and attr store1 > 6.927)
     and bondedto (attr store1 < 110.564 and attr store1 > 109.564))
6 6 0 peak 1139 volume 0.9592824e+06 hpm1 110.064 ppm1 6.977 ppm2 0.727
!# peak 1140-----------------------------------------------
assi (attr store1 < 4.144 and attr store1 > 4.044)
    ((attr store1 < 6.736 and attr store1 > 6.636)
     and bondedto (attr store1 < 110.561 and attr store1 > 109.561))
6 6 0 peak 1140 volume 0.5140102e+06 hpm1 110.061 ppm1 6.686 ppm2 4.094
!# peak 1141-----------------------------------------------
assi (attr store1 < 3.96 and attr store1 > 3.86)
    ((attr store1 < 6.731 and attr store1 > 6.631)
     and bondedto (attr store1 < 110.553 and attr store1 > 109.553))
6 6 0 peak 1141 volume 0.7851298e+06 hpm1 110.053 ppm1 6.681 ppm2 3.91
!# peak 1142-----------------------------------------------
assi (attr store1 < 8.111 and attr store1 > 8.011)
    ((attr store1 < 7.011 and attr store1 > 6.911)
     and bondedto (attr store1 < 110.524 and attr store1 > 109.524))
6 6 0 peak 1142 volume 2801111 hpm1 110.024 ppm1 6.961 ppm2 8.061
!# peak 1143-----------------------------------------------
assi (attr store1 < 0.993 and attr store1 > 0.893)
    ((attr store1 < 7.216 and attr store1 > 7.116)
     and bondedto (attr store1 < 110.928 and attr store1 > 109.928))
6 6 0 peak 1143 volume 6089601 hpm1 110.428 ppm1 7.166 ppm2 0.943
!# peak 1144-----------------------------------------------
assi (attr store1 < 2.166 and attr store1 > 2.066)
    ((attr store1 < 7.220 and attr store1 > 7.120)
     and bondedto (attr store1 < 110.972 and attr store1 > 109.972))
6 6 0 peak 1144 volume 3087686 hpm1 110.472 ppm1 7.170 ppm2 2.116
!# peak 1145-----------------------------------------------
assi (attr store1 < 2.937 and attr store1 > 2.837)
    ((attr store1 < 7.216 and attr store1 > 7.116)
     and bondedto (attr store1 < 110.928 and attr store1 > 109.928))
6 6 0 peak 1145 volume 1561849 hpm1 110.428 ppm1 7.166 ppm2 2.887
!# peak 1146-----------------------------------------------
assi (attr store1 < 3.868 and attr store1 > 3.768)
    ((attr store1 < 7.215 and attr store1 > 7.115)
     and bondedto (attr store1 < 110.934 and attr store1 > 109.934))
6 6 0 peak 1146 volume 67146936 hpm1 110.434 ppm1 7.165 ppm2 3.818
!# peak 1147-----------------------------------------------
assi (attr store1 < 0.684 and attr store1 > 0.584)
    ((attr store1 < 7.486 and attr store1 > 7.386)
     and bondedto (attr store1 < 111.260 and attr store1 > 110.260))
6 6 0 peak 1147 volume 5598271 hpm1 110.760 ppm1 7.436 ppm2 0.634
!# peak 1148-----------------------------------------------
assi (attr store1 < 1.619 and attr store1 > 1.519)
    ((attr store1 < 7.484 and attr store1 > 7.384)
     and bondedto (attr store1 < 111.247 and attr store1 > 110.247))
6 6 0 peak 1148 volume 5066895 hpm1 110.747 ppm1 7.434 ppm2 1.569
!# peak 1149-----------------------------------------------
assi (attr store1 < 2.743 and attr store1 > 2.643)
    ((attr store1 < 7.485 and attr store1 > 7.385)
     and bondedto (attr store1 < 111.262 and attr store1 > 110.262))
6 6 0 peak 1149 volume 3956018 hpm1 110.762 ppm1 7.435 ppm2 2.693
!# peak 1150-----------------------------------------------
assi (attr store1 < 4.485 and attr store1 > 4.385)
    ((attr store1 < 7.474 and attr store1 > 7.374)
     and bondedto (attr store1 < 111.263 and attr store1 > 110.263))
6 6 0 peak 1150 volume 3647632 hpm1 110.763 ppm1 7.424 ppm2 4.435
!# peak 1151-----------------------------------------------
assi (attr store1 < 3.939 and attr store1 > 3.839)
    ((attr store1 < 7.487 and attr store1 > 7.387)
     and bondedto (attr store1 < 111.269 and attr store1 > 110.269))
6 6 0 peak 1151 volume 3760530 hpm1 110.769 ppm1 7.437 ppm2 3.889
!# peak 1153-----------------------------------------------
assi (attr store1 < 6.94 and attr store1 > 6.84)
    ((attr store1 < 7.448 and attr store1 > 7.348)
     and bondedto (attr store1 < 111.261 and attr store1 > 110.261))
6 6 0 peak 1153 volume 124837800 hpm1 110.761 ppm1 7.398 ppm2 6.89
!# peak 1154-----------------------------------------------
assi (attr store1 < 6.897 and attr store1 > 6.797)
    ((attr store1 < 7.502 and attr store1 > 7.402)
     and bondedto (attr store1 < 111.319 and attr store1 > 110.319))
6 6 0 peak 1154 volume 189631696 hpm1 110.819 ppm1 7.452 ppm2 6.847
!# peak 1155-----------------------------------------------
assi (attr store1 < 1.581 and attr store1 > 1.481)
    ((attr store1 < 6.580 and attr store1 > 6.480)
     and bondedto (attr store1 < 111.267 and attr store1 > 110.267))
6 6 0 peak 1155 volume 1101343 hpm1 110.767 ppm1 6.530 ppm2 1.531
!# peak 1156-----------------------------------------------
assi (attr store1 < 1.318 and attr store1 > 1.218)
    ((attr store1 < 6.583 and attr store1 > 6.483)
     and bondedto (attr store1 < 111.292 and attr store1 > 110.292))
6 6 0 peak 1156 volume 2315800 hpm1 110.792 ppm1 6.533 ppm2 1.268
!# peak 1157-----------------------------------------------
assi (attr store1 < 0.819 and attr store1 > 0.719)
    ((attr store1 < 6.584 and attr store1 > 6.484)
     and bondedto (attr store1 < 111.285 and attr store1 > 110.285))
6 6 0 peak 1157 volume 6976011 hpm1 110.785 ppm1 6.534 ppm2 0.769
!# peak 1158-----------------------------------------------
assi (attr store1 < 0.644 and attr store1 > 0.544)
    ((attr store1 < 6.585 and attr store1 > 6.485)
     and bondedto (attr store1 < 111.298 and attr store1 > 110.298))
6 6 0 peak 1158 volume 0.7629048e+06 hpm1 110.798 ppm1 6.535 ppm2 0.594
!# peak 1159-----------------------------------------------
assi (attr store1 < 4.452 and attr store1 > 4.352)
    ((attr store1 < 6.588 and attr store1 > 6.488)
     and bondedto (attr store1 < 111.250 and attr store1 > 110.250))
6 6 0 peak 1159 volume 2406558 hpm1 110.750 ppm1 6.538 ppm2 4.402
!# peak 1160-----------------------------------------------
assi (attr store1 < 3.917 and attr store1 > 3.817)
    ((attr store1 < 6.581 and attr store1 > 6.481)
     and bondedto (attr store1 < 111.265 and attr store1 > 110.265))
6 6 0 peak 1160 volume 8205831 hpm1 110.765 ppm1 6.531 ppm2 3.867
!# peak 1161-----------------------------------------------
assi (attr store1 < 3.786 and attr store1 > 3.686)
    ((attr store1 < 6.582 and attr store1 > 6.482)
     and bondedto (attr store1 < 111.289 and attr store1 > 110.289))
6 6 0 peak 1161 volume 6606289 hpm1 110.789 ppm1 6.532 ppm2 3.736
!# peak 1162-----------------------------------------------
assi (attr store1 < 2.616 and attr store1 > 2.516)
    ((attr store1 < 6.922 and attr store1 > 6.822)
     and bondedto (attr store1 < 111.246 and attr store1 > 110.246))
6 6 0 peak 1162 volume 5242574 hpm1 110.746 ppm1 6.872 ppm2 2.566
!# peak 1163-----------------------------------------------
assi (attr store1 < 2.439 and attr store1 > 2.339)
    ((attr store1 < 6.914 and attr store1 > 6.814)
     and bondedto (attr store1 < 111.260 and attr store1 > 110.260))
6 6 0 peak 1163 volume 6474991 hpm1 110.760 ppm1 6.864 ppm2 2.389
!# peak 1164-----------------------------------------------
assi (attr store1 < 1.719 and attr store1 > 1.619)
    ((attr store1 < 6.913 and attr store1 > 6.813)
     and bondedto (attr store1 < 111.289 and attr store1 > 110.289))
6 6 0 peak 1164 volume 0.2844183e+07 hpm1 110.789 ppm1 6.863 ppm2 1.669
!# peak 1165-----------------------------------------------
assi (attr store1 < 4.382 and attr store1 > 4.282)
    ((attr store1 < 6.918 and attr store1 > 6.818)
     and bondedto (attr store1 < 111.240 and attr store1 > 110.240))
6 6 0 peak 1165 volume 1122611 hpm1 110.740 ppm1 6.868 ppm2 4.332
!# peak 1166-----------------------------------------------
assi (attr store1 < 7.474 and attr store1 > 7.374)
    ((attr store1 < 6.918 and attr store1 > 6.818)
     and bondedto (attr store1 < 111.260 and attr store1 > 110.260))
6 6 0 peak 1166 volume 115797000 hpm1 110.760 ppm1 6.868 ppm2 7.424
!# peak 1167-----------------------------------------------
assi (attr store1 < 1.512 and attr store1 > 1.412)
    ((attr store1 < 7.984 and attr store1 > 7.884)
     and bondedto (attr store1 < 111.643 and attr store1 > 110.643))
6 6 0 peak 1167 volume 7356650 hpm1 111.143 ppm1 7.934 ppm2 1.462
!# peak 1168-----------------------------------------------
assi (attr store1 < 3.384 and attr store1 > 3.284)
    ((attr store1 < 7.979 and attr store1 > 7.879)
     and bondedto (attr store1 < 111.649 and attr store1 > 110.649))
6 6 0 peak 1168 volume 1113065 hpm1 111.149 ppm1 7.929 ppm2 3.334
!# peak 1169-----------------------------------------------
assi (attr store1 < 3.056 and attr store1 > 2.956)
    ((attr store1 < 7.990 and attr store1 > 7.890)
     and bondedto (attr store1 < 111.668 and attr store1 > 110.668))
6 6 0 peak 1169 volume 13057810 hpm1 111.168 ppm1 7.940 ppm2 3.006
!# peak 1170-----------------------------------------------
assi (attr store1 < 4.096 and attr store1 > 3.996)
    ((attr store1 < 7.992 and attr store1 > 7.892)
     and bondedto (attr store1 < 111.635 and attr store1 > 110.635))
6 6 0 peak 1170 volume 22051760 hpm1 111.135 ppm1 7.942 ppm2 4.046
!# peak 1171-----------------------------------------------
assi (attr store1 < 4.604 and attr store1 > 4.504)
    ((attr store1 < 7.995 and attr store1 > 7.895)
     and bondedto (attr store1 < 111.653 and attr store1 > 110.653))
6 6 0 peak 1171 volume 22968570 hpm1 111.153 ppm1 7.945 ppm2 4.554
!# peak 1172-----------------------------------------------
assi (attr store1 < 5.679 and attr store1 > 5.579)
    ((attr store1 < 7.969 and attr store1 > 7.869)
     and bondedto (attr store1 < 111.677 and attr store1 > 110.677))
6 6 0 peak 1172 volume 1244029 hpm1 111.177 ppm1 7.919 ppm2 5.629
!# peak 1173-----------------------------------------------
assi (attr store1 < 1.895 and attr store1 > 1.795)
    ((attr store1 < 6.859 and attr store1 > 6.759)
     and bondedto (attr store1 < 111.808 and attr store1 > 110.808))
6 6 0 peak 1173 volume 0.2944559e+07 hpm1 111.308 ppm1 6.809 ppm2 1.845
!# peak 1174-----------------------------------------------
assi (attr store1 < 1.669 and attr store1 > 1.569)
    ((attr store1 < 6.861 and attr store1 > 6.761)
     and bondedto (attr store1 < 111.824 and attr store1 > 110.824))
6 6 0 peak 1174 volume 0.1750058e+07 hpm1 111.324 ppm1 6.811 ppm2 1.619
!# peak 1175-----------------------------------------------
assi (attr store1 < 2.514 and attr store1 > 2.414)
    ((attr store1 < 6.862 and attr store1 > 6.762)
     and bondedto (attr store1 < 111.817 and attr store1 > 110.817))
6 6 0 peak 1175 volume 5693015 hpm1 111.317 ppm1 6.812 ppm2 2.464
!# peak 1176-----------------------------------------------
assi (attr store1 < 2.392 and attr store1 > 2.292)
    ((attr store1 < 7.516 and attr store1 > 7.416)
     and bondedto (attr store1 < 111.801 and attr store1 > 110.801))
6 6 0 peak 1176 volume 8165632 hpm1 111.301 ppm1 7.466 ppm2 2.342
!# peak 1177-----------------------------------------------
assi (attr store1 < 1.489 and attr store1 > 1.389)
    ((attr store1 < 9.176 and attr store1 > 9.076)
     and bondedto (attr store1 < 112.037 and attr store1 > 111.037))
6 6 0 peak 1177 volume 3173112 hpm1 111.537 ppm1 9.126 ppm2 1.439
!# peak 1178-----------------------------------------------
assi (attr store1 < 8.108 and attr store1 > 8.008)
    ((attr store1 < 9.170 and attr store1 > 9.070)
     and bondedto (attr store1 < 112.030 and attr store1 > 111.030))
6 6 0 peak 1178 volume 0.7793634e+06 hpm1 111.530 ppm1 9.120 ppm2 8.058
!# peak 1179-----------------------------------------------
assi (attr store1 < 1.761 and attr store1 > 1.661)
    ((attr store1 < 7.851 and attr store1 > 7.751)
     and bondedto (attr store1 < 112.565 and attr store1 > 111.565))
6 6 0 peak 1179 volume 8227344 hpm1 112.065 ppm1 7.801 ppm2 1.711
!# peak 1180-----------------------------------------------
assi (attr store1 < 0.901 and attr store1 > 0.801)
    ((attr store1 < 7.850 and attr store1 > 7.750)
     and bondedto (attr store1 < 112.554 and attr store1 > 111.554))
6 6 0 peak 1180 volume 12806480 hpm1 112.054 ppm1 7.800 ppm2 0.851
!# peak 1181-----------------------------------------------
assi (attr store1 < 8.558 and attr store1 > 8.458)
    ((attr store1 < 7.847 and attr store1 > 7.747)
     and bondedto (attr store1 < 112.587 and attr store1 > 111.587))
6 6 0 peak 1181 volume 2451628 hpm1 112.087 ppm1 7.797 ppm2 8.508
!# peak 1182-----------------------------------------------
assi (attr store1 < 2.838 and attr store1 > 2.738)
    ((attr store1 < 7.610 and attr store1 > 7.510)
     and bondedto (attr store1 < 113.431 and attr store1 > 112.431))
6 6 0 peak 1182 volume 0.7855204e+07 hpm1 112.931 ppm1 7.560 ppm2 2.788
!# peak 1183-----------------------------------------------
assi (attr store1 < 2.521 and attr store1 > 2.421)
    ((attr store1 < 6.914 and attr store1 > 6.814)
     and bondedto (attr store1 < 113.502 and attr store1 > 112.502))
6 6 0 peak 1183 volume 2000895 hpm1 113.002 ppm1 6.864 ppm2 2.471
!# peak 1184-----------------------------------------------
assi (attr store1 < 8.778 and attr store1 > 8.678)
    ((attr store1 < 7.583 and attr store1 > 7.483)
     and bondedto (attr store1 < 113.474 and attr store1 > 112.474))
6 6 0 peak 1184 volume 1912549 hpm1 112.974 ppm1 7.533 ppm2 8.728
!# peak 1185-----------------------------------------------
assi (attr store1 < 8.767 and attr store1 > 8.667)
    ((attr store1 < 6.916 and attr store1 > 6.816)
     and bondedto (attr store1 < 113.497 and attr store1 > 112.497))
6 6 0 peak 1185 volume 1799508 hpm1 112.997 ppm1 6.866 ppm2 8.717
!# peak 1186-----------------------------------------------
assi (attr store1 < 1.575 and attr store1 > 1.475)
    ((attr store1 < 7.779 and attr store1 > 7.679)
     and bondedto (attr store1 < 114.436 and attr store1 > 113.436))
6 6 0 peak 1186 volume 22047390 hpm1 113.936 ppm1 7.729 ppm2 1.525
!# peak 1187-----------------------------------------------
assi (attr store1 < 3.475 and attr store1 > 3.375)
    ((attr store1 < 7.780 and attr store1 > 7.680)
     and bondedto (attr store1 < 114.422 and attr store1 > 113.422))
6 6 0 peak 1187 volume 5710240 hpm1 113.922 ppm1 7.730 ppm2 3.425
!# peak 1189-----------------------------------------------
assi (attr store1 < 8.154 and attr store1 > 8.054)
    ((attr store1 < 7.778 and attr store1 > 7.678)
     and bondedto (attr store1 < 114.435 and attr store1 > 113.435))
6 6 0 peak 1189 volume 33482190 hpm1 113.935 ppm1 7.728 ppm2 8.104
!# peak 1191-----------------------------------------------
assi (attr store1 < 2.474 and attr store1 > 2.374)
    ((attr store1 < 9.413 and attr store1 > 9.313)
     and bondedto (attr store1 < 114.630 and attr store1 > 113.630))
6 6 0 peak 1191 volume 12336530 hpm1 114.130 ppm1 9.363 ppm2 2.424
!# peak 1192-----------------------------------------------
assi (attr store1 < 2.082 and attr store1 > 1.982)
    ((attr store1 < 9.413 and attr store1 > 9.313)
     and bondedto (attr store1 < 114.624 and attr store1 > 113.624))
6 6 0 peak 1192 volume 11178610 hpm1 114.124 ppm1 9.363 ppm2 2.032
!# peak 1193-----------------------------------------------
assi (attr store1 < 4.049 and attr store1 > 3.949)
    ((attr store1 < 9.409 and attr store1 > 9.309)
     and bondedto (attr store1 < 114.629 and attr store1 > 113.629))
6 6 0 peak 1193 volume 0.8413868e+06 hpm1 114.129 ppm1 9.359 ppm2 3.999
!# peak 1194-----------------------------------------------
assi (attr store1 < 8.142 and attr store1 > 8.042)
    ((attr store1 < 9.412 and attr store1 > 9.312)
     and bondedto (attr store1 < 114.639 and attr store1 > 113.639))
6 6 0 peak 1194 volume 1080262 hpm1 114.139 ppm1 9.362 ppm2 8.092
!# peak 1195-----------------------------------------------
assi (attr store1 < 0.814 and attr store1 > 0.714)
    ((attr store1 < 9.407 and attr store1 > 9.307)
     and bondedto (attr store1 < 114.688 and attr store1 > 113.688))
6 6 0 peak 1195 volume 0.2662803e+06 hpm1 114.188 ppm1 9.357 ppm2 0.764
!# peak 1196-----------------------------------------------
assi (attr store1 < 2.384 and attr store1 > 2.284)
    ((attr store1 < 8.744 and attr store1 > 8.644)
     and bondedto (attr store1 < 115.125 and attr store1 > 114.125))
6 6 0 peak 1196 volume 15603770 hpm1 114.625 ppm1 8.694 ppm2 2.334
!# peak 1197-----------------------------------------------
assi (attr store1 < 4.051 and attr store1 > 3.951)
    ((attr store1 < 8.748 and attr store1 > 8.648)
     and bondedto (attr store1 < 115.158 and attr store1 > 114.158))
6 6 0 peak 1197 volume 2878862 hpm1 114.658 ppm1 8.698 ppm2 4.001
!# peak 1198-----------------------------------------------
assi (attr store1 < 4.507 and attr store1 > 4.407)
    ((attr store1 < 8.744 and attr store1 > 8.644)
     and bondedto (attr store1 < 115.133 and attr store1 > 114.133))
6 6 0 peak 1198 volume 10848640 hpm1 114.633 ppm1 8.694 ppm2 4.457
!# peak 1199-----------------------------------------------
assi (attr store1 < 7.612 and attr store1 > 7.512)
    ((attr store1 < 8.742 and attr store1 > 8.642)
     and bondedto (attr store1 < 115.132 and attr store1 > 114.132))
6 6 0 peak 1199 volume 7659911 hpm1 114.632 ppm1 8.692 ppm2 7.562
!# peak 1201-----------------------------------------------
assi (attr store1 < 1.229 and attr store1 > 1.129)
    ((attr store1 < 7.255 and attr store1 > 7.155)
     and bondedto (attr store1 < 115.503 and attr store1 > 114.503))
6 6 0 peak 1201 volume 2216383 hpm1 115.003 ppm1 7.205 ppm2 1.179
!# peak 1202-----------------------------------------------
assi (attr store1 < 0.813 and attr store1 > 0.713)
    ((attr store1 < 7.254 and attr store1 > 7.154)
     and bondedto (attr store1 < 115.516 and attr store1 > 114.516))
6 6 0 peak 1202 volume 0.9941367e+06 hpm1 115.016 ppm1 7.204 ppm2 0.763
!# peak 1203-----------------------------------------------
assi (attr store1 < 1.847 and attr store1 > 1.747)
    ((attr store1 < 7.252 and attr store1 > 7.152)
     and bondedto (attr store1 < 115.517 and attr store1 > 114.517))
6 6 0 peak 1203 volume 12842990 hpm1 115.017 ppm1 7.202 ppm2 1.797
!# peak 1204-----------------------------------------------
assi (attr store1 < 6.394 and attr store1 > 6.294)
    ((attr store1 < 7.252 and attr store1 > 7.152)
     and bondedto (attr store1 < 115.523 and attr store1 > 114.523))
6 6 0 peak 1204 volume 1334600 hpm1 115.023 ppm1 7.202 ppm2 6.344
!# peak 1205-----------------------------------------------
assi (attr store1 < 7.877 and attr store1 > 7.777)
    ((attr store1 < 7.259 and attr store1 > 7.159)
     and bondedto (attr store1 < 115.495 and attr store1 > 114.495))
6 6 0 peak 1205 volume 2321283 hpm1 114.995 ppm1 7.209 ppm2 7.827
!# peak 1206-----------------------------------------------
assi (attr store1 < 0.999 and attr store1 > 0.899)
    ((attr store1 < 8.173 and attr store1 > 8.073)
     and bondedto (attr store1 < 115.907 and attr store1 > 114.907))
6 6 0 peak 1206 volume 4183762 hpm1 115.407 ppm1 8.123 ppm2 0.949
!# peak 1207-----------------------------------------------
assi (attr store1 < 1.322 and attr store1 > 1.222)
    ((attr store1 < 8.169 and attr store1 > 8.069)
     and bondedto (attr store1 < 115.916 and attr store1 > 114.916))
6 6 0 peak 1207 volume 25041992 hpm1 115.416 ppm1 8.119 ppm2 1.272
!# peak 1208-----------------------------------------------
assi (attr store1 < 0.678 and attr store1 > 0.578)
    ((attr store1 < 8.172 and attr store1 > 8.072)
     and bondedto (attr store1 < 115.911 and attr store1 > 114.911))
6 6 0 peak 1208 volume 3309487 hpm1 115.411 ppm1 8.122 ppm2 0.628
!# peak 1209-----------------------------------------------
assi (attr store1 < 0.403 and attr store1 > 0.303)
    ((attr store1 < 8.169 and attr store1 > 8.069)
     and bondedto (attr store1 < 115.892 and attr store1 > 114.892))
6 6 0 peak 1209 volume 2586429 hpm1 115.392 ppm1 8.119 ppm2 0.353
!# peak 1210-----------------------------------------------
assi (attr store1 < 3.197 and attr store1 > 3.097)
    ((attr store1 < 8.154 and attr store1 > 8.054)
     and bondedto (attr store1 < 115.884 and attr store1 > 114.884))
6 6 0 peak 1210 volume 9466055 hpm1 115.384 ppm1 8.104 ppm2 3.147
!# peak 1211-----------------------------------------------
assi (attr store1 < 4.453 and attr store1 > 4.353)
    ((attr store1 < 8.170 and attr store1 > 8.070)
     and bondedto (attr store1 < 115.911 and attr store1 > 114.911))
6 6 0 peak 1211 volume 11815960 hpm1 115.411 ppm1 8.120 ppm2 4.403
!# peak 1212-----------------------------------------------
assi (attr store1 < 7.113 and attr store1 > 7.013)
    ((attr store1 < 8.168 and attr store1 > 8.068)
     and bondedto (attr store1 < 115.901 and attr store1 > 114.901))
6 6 0 peak 1212 volume 18480110 hpm1 115.401 ppm1 8.118 ppm2 7.063
!# peak 1213-----------------------------------------------
assi (attr store1 < 1.628 and attr store1 > 1.528)
    ((attr store1 < 8.536 and attr store1 > 8.436)
     and bondedto (attr store1 < 116.062 and attr store1 > 115.062))
6 6 0 peak 1213 volume 0.1437094e+07 hpm1 115.562 ppm1 8.486 ppm2 1.578
!# peak 1214-----------------------------------------------
assi (attr store1 < 1.98 and attr store1 > 1.88)
    ((attr store1 < 8.536 and attr store1 > 8.436)
     and bondedto (attr store1 < 116.072 and attr store1 > 115.072))
6 6 0 peak 1214 volume 23879210 hpm1 115.572 ppm1 8.486 ppm2 1.93
!# peak 1215-----------------------------------------------
assi (attr store1 < 3.419 and attr store1 > 3.319)
    ((attr store1 < 8.531 and attr store1 > 8.431)
     and bondedto (attr store1 < 116.068 and attr store1 > 115.068))
6 6 0 peak 1215 volume 16257501 hpm1 115.568 ppm1 8.481 ppm2 3.369
!# peak 1216-----------------------------------------------
assi (attr store1 < 7.924 and attr store1 > 7.824)
    ((attr store1 < 8.533 and attr store1 > 8.433)
     and bondedto (attr store1 < 116.055 and attr store1 > 115.055))
6 6 0 peak 1216 volume 4890738 hpm1 115.555 ppm1 8.483 ppm2 7.874
!# peak 1217-----------------------------------------------
assi (attr store1 < 0.767 and attr store1 > 0.667)
    ((attr store1 < 7.944 and attr store1 > 7.844)
     and bondedto (attr store1 < 116.306 and attr store1 > 115.306))
6 6 0 peak 1217 volume 3990735 hpm1 115.806 ppm1 7.894 ppm2 0.717
!# peak 1218-----------------------------------------------
assi (attr store1 < 0.501 and attr store1 > 0.401)
    ((attr store1 < 7.945 and attr store1 > 7.845)
     and bondedto (attr store1 < 116.295 and attr store1 > 115.295))
6 6 0 peak 1218 volume 3828535 hpm1 115.795 ppm1 7.895 ppm2 0.451
!# peak 1219-----------------------------------------------
assi (attr store1 < 1.49 and attr store1 > 1.39)
    ((attr store1 < 7.944 and attr store1 > 7.844)
     and bondedto (attr store1 < 116.307 and attr store1 > 115.307))
6 6 0 peak 1219 volume 9423585 hpm1 115.807 ppm1 7.894 ppm2 1.44
!# peak 1220-----------------------------------------------
assi (attr store1 < 2.385 and attr store1 > 2.285)
    ((attr store1 < 7.945 and attr store1 > 7.845)
     and bondedto (attr store1 < 116.309 and attr store1 > 115.309))
6 6 0 peak 1220 volume 10325520 hpm1 115.809 ppm1 7.895 ppm2 2.335
!# peak 1221-----------------------------------------------
assi (attr store1 < 8.777 and attr store1 > 8.677)
    ((attr store1 < 7.961 and attr store1 > 7.861)
     and bondedto (attr store1 < 116.291 and attr store1 > 115.291))
6 6 0 peak 1221 volume 2248401 hpm1 115.791 ppm1 7.911 ppm2 8.727
!# peak 1222-----------------------------------------------
assi (attr store1 < 8.508 and attr store1 > 8.408)
    ((attr store1 < 7.942 and attr store1 > 7.842)
     and bondedto (attr store1 < 116.333 and attr store1 > 115.333))
6 6 0 peak 1222 volume 3842084 hpm1 115.833 ppm1 7.892 ppm2 8.458
!# peak 1223-----------------------------------------------
assi (attr store1 < 0.589 and attr store1 > 0.489)
    ((attr store1 < 7.761 and attr store1 > 7.661)
     and bondedto (attr store1 < 116.475 and attr store1 > 115.475))
6 6 0 peak 1223 volume 0.1620351e+07 hpm1 115.975 ppm1 7.711 ppm2 0.539
!# peak 1224-----------------------------------------------
assi (attr store1 < 0.405 and attr store1 > 0.305)
    ((attr store1 < 7.757 and attr store1 > 7.657)
     and bondedto (attr store1 < 116.479 and attr store1 > 115.479))
6 6 0 peak 1224 volume 1497381 hpm1 115.979 ppm1 7.707 ppm2 0.355
!# peak 1225-----------------------------------------------
assi (attr store1 < 2.17 and attr store1 > 2.07)
    ((attr store1 < 7.758 and attr store1 > 7.658)
     and bondedto (attr store1 < 116.480 and attr store1 > 115.480))
6 6 0 peak 1225 volume 3019553 hpm1 115.980 ppm1 7.708 ppm2 2.12
!# peak 1226-----------------------------------------------
assi (attr store1 < 1.849 and attr store1 > 1.749)
    ((attr store1 < 7.758 and attr store1 > 7.658)
     and bondedto (attr store1 < 116.469 and attr store1 > 115.469))
6 6 0 peak 1226 volume 74125056 hpm1 115.969 ppm1 7.708 ppm2 1.799
!# peak 1227-----------------------------------------------
assi (attr store1 < 1.763 and attr store1 > 1.663)
    ((attr store1 < 7.758 and attr store1 > 7.658)
     and bondedto (attr store1 < 116.467 and attr store1 > 115.467))
6 6 0 peak 1227 volume 56996560 hpm1 115.967 ppm1 7.708 ppm2 1.713
!# peak 1228-----------------------------------------------
assi (attr store1 < 8.288 and attr store1 > 8.188)
    ((attr store1 < 7.762 and attr store1 > 7.662)
     and bondedto (attr store1 < 116.458 and attr store1 > 115.458))
6 6 0 peak 1228 volume 13489920 hpm1 115.958 ppm1 7.712 ppm2 8.238
!# peak 1229-----------------------------------------------
assi (attr store1 < 7.125 and attr store1 > 7.025)
    ((attr store1 < 7.756 and attr store1 > 7.656)
     and bondedto (attr store1 < 116.504 and attr store1 > 115.504))
6 6 0 peak 1229 volume 1772411 hpm1 116.004 ppm1 7.706 ppm2 7.075
!# peak 1230-----------------------------------------------
assi (attr store1 < 4.59 and attr store1 > 4.49)
    ((attr store1 < 7.150 and attr store1 > 7.050)
     and bondedto (attr store1 < 116.439 and attr store1 > 115.439))
6 6 0 peak 1230 volume 3771173 hpm1 115.939 ppm1 7.100 ppm2 4.54
!# peak 1231-----------------------------------------------
assi (attr store1 < 4.285 and attr store1 > 4.185)
    ((attr store1 < 7.133 and attr store1 > 7.033)
     and bondedto (attr store1 < 116.424 and attr store1 > 115.424))
6 6 0 peak 1231 volume 1625478 hpm1 115.924 ppm1 7.083 ppm2 4.235
!# peak 1232-----------------------------------------------
assi (attr store1 < 8.523 and attr store1 > 8.423)
    ((attr store1 < 7.153 and attr store1 > 7.053)
     and bondedto (attr store1 < 116.478 and attr store1 > 115.478))
6 6 0 peak 1232 volume 1800628 hpm1 115.978 ppm1 7.103 ppm2 8.473
!# peak 1233-----------------------------------------------
assi (attr store1 < 0.184 and attr store1 > 0.084)
    ((attr store1 < 8.622 and attr store1 > 8.522)
     and bondedto (attr store1 < 116.692 and attr store1 > 115.692))
6 6 0 peak 1233 volume 4867977 hpm1 116.192 ppm1 8.572 ppm2 0.134
!# peak 1234-----------------------------------------------
assi (attr store1 < 2.166 and attr store1 > 2.066)
    ((attr store1 < 8.620 and attr store1 > 8.520)
     and bondedto (attr store1 < 116.702 and attr store1 > 115.702))
6 6 0 peak 1234 volume 43953212 hpm1 116.202 ppm1 8.570 ppm2 2.116
!# peak 1235-----------------------------------------------
assi (attr store1 < 1.945 and attr store1 > 1.845)
    ((attr store1 < 8.619 and attr store1 > 8.519)
     and bondedto (attr store1 < 116.699 and attr store1 > 115.699))
6 6 0 peak 1235 volume 34285020 hpm1 116.199 ppm1 8.569 ppm2 1.895
!# peak 1236-----------------------------------------------
assi (attr store1 < 1.764 and attr store1 > 1.664)
    ((attr store1 < 8.622 and attr store1 > 8.522)
     and bondedto (attr store1 < 116.710 and attr store1 > 115.710))
6 6 0 peak 1236 volume 22358360 hpm1 116.210 ppm1 8.572 ppm2 1.714
!# peak 1237-----------------------------------------------
assi (attr store1 < 1.582 and attr store1 > 1.482)
    ((attr store1 < 8.610 and attr store1 > 8.510)
     and bondedto (attr store1 < 116.688 and attr store1 > 115.688))
6 6 0 peak 1237 volume 6340573 hpm1 116.188 ppm1 8.560 ppm2 1.532
!# peak 1238-----------------------------------------------
assi (attr store1 < 2.435 and attr store1 > 2.335)
    ((attr store1 < 8.206 and attr store1 > 8.106)
     and bondedto (attr store1 < 116.633 and attr store1 > 115.633))
6 6 0 peak 1238 volume 6421723 hpm1 116.133 ppm1 8.156 ppm2 2.385
!# peak 1239-----------------------------------------------
assi (attr store1 < 4.011 and attr store1 > 3.911)
    ((attr store1 < 8.205 and attr store1 > 8.105)
     and bondedto (attr store1 < 116.628 and attr store1 > 115.628))
6 6 0 peak 1239 volume 12730940 hpm1 116.128 ppm1 8.155 ppm2 3.961
!# peak 1240-----------------------------------------------
assi (attr store1 < 3.81 and attr store1 > 3.71)
    ((attr store1 < 8.211 and attr store1 > 8.111)
     and bondedto (attr store1 < 116.604 and attr store1 > 115.604))
6 6 0 peak 1240 volume 12915251 hpm1 116.104 ppm1 8.161 ppm2 3.76
!# peak 1241-----------------------------------------------
assi (attr store1 < 3.065 and attr store1 > 2.965)
    ((attr store1 < 8.203 and attr store1 > 8.103)
     and bondedto (attr store1 < 116.631 and attr store1 > 115.631))
6 6 0 peak 1241 volume 6107093 hpm1 116.131 ppm1 8.153 ppm2 3.015
!# peak 1242-----------------------------------------------
assi (attr store1 < 2.607 and attr store1 > 2.507)
    ((attr store1 < 8.212 and attr store1 > 8.112)
     and bondedto (attr store1 < 116.611 and attr store1 > 115.611))
6 6 0 peak 1242 volume 4383287 hpm1 116.111 ppm1 8.162 ppm2 2.557
!# peak 1243-----------------------------------------------
assi (attr store1 < 3.26 and attr store1 > 3.16)
    ((attr store1 < 8.211 and attr store1 > 8.111)
     and bondedto (attr store1 < 116.755 and attr store1 > 115.755))
6 6 0 peak 1243 volume 41319640 hpm1 116.255 ppm1 8.161 ppm2 3.21
!# peak 1244-----------------------------------------------
assi (attr store1 < 3.922 and attr store1 > 3.822)
    ((attr store1 < 8.208 and attr store1 > 8.108)
     and bondedto (attr store1 < 116.604 and attr store1 > 115.604))
6 6 0 peak 1244 volume 45355628 hpm1 116.104 ppm1 8.158 ppm2 3.872
!# peak 1245-----------------------------------------------
assi (attr store1 < 6.98 and attr store1 > 6.88)
    ((attr store1 < 8.206 and attr store1 > 8.106)
     and bondedto (attr store1 < 116.603 and attr store1 > 115.603))
6 6 0 peak 1245 volume 8658934 hpm1 116.103 ppm1 8.156 ppm2 6.93
!# peak 1246-----------------------------------------------
assi (attr store1 < 8.508 and attr store1 > 8.408)
    ((attr store1 < 8.210 and attr store1 > 8.110)
     and bondedto (attr store1 < 116.636 and attr store1 > 115.636))
6 6 0 peak 1246 volume 65182976 hpm1 116.136 ppm1 8.160 ppm2 8.458
!# peak 1247-----------------------------------------------
assi (attr store1 < 0.994 and attr store1 > 0.894)
    ((attr store1 < 8.329 and attr store1 > 8.229)
     and bondedto (attr store1 < 116.816 and attr store1 > 115.816))
6 6 0 peak 1247 volume 8452145 hpm1 116.316 ppm1 8.279 ppm2 0.944
!# peak 1248-----------------------------------------------
assi (attr store1 < 3.42 and attr store1 > 3.32)
    ((attr store1 < 8.622 and attr store1 > 8.522)
     and bondedto (attr store1 < 116.789 and attr store1 > 115.789))
6 6 0 peak 1248 volume 4563735 hpm1 116.289 ppm1 8.572 ppm2 3.37
!# peak 1249-----------------------------------------------
assi (attr store1 < 3.25 and attr store1 > 3.15)
    ((attr store1 < 8.302 and attr store1 > 8.202)
     and bondedto (attr store1 < 116.850 and attr store1 > 115.850))
6 6 0 peak 1249 volume 49391620 hpm1 116.350 ppm1 8.252 ppm2 3.2
!# peak 1250-----------------------------------------------
assi (attr store1 < 3.691 and attr store1 > 3.591)
    ((attr store1 < 8.307 and attr store1 > 8.207)
     and bondedto (attr store1 < 116.868 and attr store1 > 115.868))
6 6 0 peak 1250 volume 1924025 hpm1 116.368 ppm1 8.257 ppm2 3.641
!# peak 1251-----------------------------------------------
assi (attr store1 < 4.059 and attr store1 > 3.959)
    ((attr store1 < 8.336 and attr store1 > 8.236)
     and bondedto (attr store1 < 116.803 and attr store1 > 115.803))
6 6 0 peak 1251 volume 25170130 hpm1 116.303 ppm1 8.286 ppm2 4.009
!# peak 1253-----------------------------------------------
assi (attr store1 < 9.005 and attr store1 > 8.905)
    ((attr store1 < 8.329 and attr store1 > 8.229)
     and bondedto (attr store1 < 116.881 and attr store1 > 115.881))
6 6 0 peak 1253 volume 1873961 hpm1 116.381 ppm1 8.279 ppm2 8.955
!# peak 1254-----------------------------------------------
assi (attr store1 < 7.16 and attr store1 > 7.06)
    ((attr store1 < 8.305 and attr store1 > 8.205)
     and bondedto (attr store1 < 116.839 and attr store1 > 115.839))
6 6 0 peak 1254 volume 1404690 hpm1 116.339 ppm1 8.255 ppm2 7.11
!# peak 1255-----------------------------------------------
assi (attr store1 < 6.615 and attr store1 > 6.515)
    ((attr store1 < 8.334 and attr store1 > 8.234)
     and bondedto (attr store1 < 116.802 and attr store1 > 115.802))
6 6 0 peak 1255 volume 2018832 hpm1 116.302 ppm1 8.284 ppm2 6.565
!# peak 1256-----------------------------------------------
assi (attr store1 < 1.931 and attr store1 > 1.831)
    ((attr store1 < 8.470 and attr store1 > 8.370)
     and bondedto (attr store1 < 117.177 and attr store1 > 116.177))
6 6 0 peak 1256 volume 4683496 hpm1 116.677 ppm1 8.420 ppm2 1.881
!# peak 1257-----------------------------------------------
assi (attr store1 < 1.711 and attr store1 > 1.611)
    ((attr store1 < 8.469 and attr store1 > 8.369)
     and bondedto (attr store1 < 117.186 and attr store1 > 116.186))
6 6 0 peak 1257 volume 1882398 hpm1 116.686 ppm1 8.419 ppm2 1.661
!# peak 1258-----------------------------------------------
assi (attr store1 < 4.228 and attr store1 > 4.128)
    ((attr store1 < 8.467 and attr store1 > 8.367)
     and bondedto (attr store1 < 117.183 and attr store1 > 116.183))
6 6 0 peak 1258 volume 3616234 hpm1 116.683 ppm1 8.417 ppm2 4.178
!# peak 1259-----------------------------------------------
assi (attr store1 < 8.206 and attr store1 > 8.106)
    ((attr store1 < 8.469 and attr store1 > 8.369)
     and bondedto (attr store1 < 117.235 and attr store1 > 116.235))
6 6 0 peak 1259 volume 0.1590906e+07 hpm1 116.735 ppm1 8.419 ppm2 8.156
!# peak 1260-----------------------------------------------
assi (attr store1 < 0.28 and attr store1 > 0.18)
    ((attr store1 < 7.671 and attr store1 > 7.571)
     and bondedto (attr store1 < 117.202 and attr store1 > 116.202))
6 6 0 peak 1260 volume 3347578 hpm1 116.702 ppm1 7.621 ppm2 0.23
!# peak 1261-----------------------------------------------
assi (attr store1 < 1.215 and attr store1 > 1.115)
    ((attr store1 < 7.669 and attr store1 > 7.569)
     and bondedto (attr store1 < 117.221 and attr store1 > 116.221))
6 6 0 peak 1261 volume 25320790 hpm1 116.721 ppm1 7.619 ppm2 1.165
!# peak 1262-----------------------------------------------
assi (attr store1 < 0.902 and attr store1 > 0.802)
    ((attr store1 < 7.673 and attr store1 > 7.573)
     and bondedto (attr store1 < 117.212 and attr store1 > 116.212))
6 6 0 peak 1262 volume 17236410 hpm1 116.712 ppm1 7.623 ppm2 0.852
!# peak 1263-----------------------------------------------
assi (attr store1 < 1.717 and attr store1 > 1.617)
    ((attr store1 < 7.670 and attr store1 > 7.570)
     and bondedto (attr store1 < 117.219 and attr store1 > 116.219))
6 6 0 peak 1263 volume 69766552 hpm1 116.719 ppm1 7.620 ppm2 1.667
!# peak 1264-----------------------------------------------
assi (attr store1 < 2.568 and attr store1 > 2.468)
    ((attr store1 < 7.669 and attr store1 > 7.569)
     and bondedto (attr store1 < 117.249 and attr store1 > 116.249))
6 6 0 peak 1264 volume 4228758 hpm1 116.749 ppm1 7.619 ppm2 2.518
!# peak 1265-----------------------------------------------
assi (attr store1 < 2.342 and attr store1 > 2.242)
    ((attr store1 < 7.661 and attr store1 > 7.561)
     and bondedto (attr store1 < 117.242 and attr store1 > 116.242))
6 6 0 peak 1265 volume 5797862 hpm1 116.742 ppm1 7.611 ppm2 2.292
!# peak 1266-----------------------------------------------
assi (attr store1 < 4.942 and attr store1 > 4.842)
    ((attr store1 < 7.674 and attr store1 > 7.574)
     and bondedto (attr store1 < 117.230 and attr store1 > 116.230))
6 6 0 peak 1266 volume 6833148 hpm1 116.730 ppm1 7.624 ppm2 4.892
!# peak 1267-----------------------------------------------
assi (attr store1 < 4.512 and attr store1 > 4.412)
    ((attr store1 < 7.665 and attr store1 > 7.565)
     and bondedto (attr store1 < 117.230 and attr store1 > 116.230))
6 6 0 peak 1267 volume 4688665 hpm1 116.730 ppm1 7.615 ppm2 4.462
!# peak 1268-----------------------------------------------
assi (attr store1 < 3.745 and attr store1 > 3.645)
    ((attr store1 < 7.672 and attr store1 > 7.572)
     and bondedto (attr store1 < 117.214 and attr store1 > 116.214))
6 6 0 peak 1268 volume 4638765 hpm1 116.714 ppm1 7.622 ppm2 3.695
!# peak 1269-----------------------------------------------
assi (attr store1 < 7.439 and attr store1 > 7.339)
    ((attr store1 < 7.672 and attr store1 > 7.572)
     and bondedto (attr store1 < 117.227 and attr store1 > 116.227))
6 6 0 peak 1269 volume 23257050 hpm1 116.727 ppm1 7.622 ppm2 7.389
!# peak 1270-----------------------------------------------
assi (attr store1 < 7.21 and attr store1 > 7.11)
    ((attr store1 < 7.669 and attr store1 > 7.569)
     and bondedto (attr store1 < 117.227 and attr store1 > 116.227))
6 6 0 peak 1270 volume 20951030 hpm1 116.727 ppm1 7.619 ppm2 7.16
!# peak 1271-----------------------------------------------
assi (attr store1 < 7.011 and attr store1 > 6.911)
    ((attr store1 < 7.672 and attr store1 > 7.572)
     and bondedto (attr store1 < 117.223 and attr store1 > 116.223))
6 6 0 peak 1271 volume 5300888 hpm1 116.723 ppm1 7.622 ppm2 6.961
!# peak 1272-----------------------------------------------
assi (attr store1 < 1.927 and attr store1 > 1.827)
    ((attr store1 < 7.613 and attr store1 > 7.513)
     and bondedto (attr store1 < 117.36 and attr store1 > 116.36))
6 6 0 peak 1272 volume 42433480 hpm1 116.86 ppm1 7.563 ppm2 1.877
!# peak 1273-----------------------------------------------
assi (attr store1 < 2.428 and attr store1 > 2.328)
    ((attr store1 < 7.607 and attr store1 > 7.507)
     and bondedto (attr store1 < 117.383 and attr store1 > 116.383))
6 6 0 peak 1273 volume 0.5512425e+07 hpm1 116.883 ppm1 7.557 ppm2 2.378
!# peak 1274-----------------------------------------------
assi (attr store1 < 2.253 and attr store1 > 2.153)
    ((attr store1 < 7.614 and attr store1 > 7.514)
     and bondedto (attr store1 < 117.373 and attr store1 > 116.373))
6 6 0 peak 1274 volume 7872250 hpm1 116.873 ppm1 7.564 ppm2 2.203
!# peak 1275-----------------------------------------------
assi (attr store1 < 3.283 and attr store1 > 3.183)
    ((attr store1 < 7.614 and attr store1 > 7.514)
     and bondedto (attr store1 < 117.353 and attr store1 > 116.353))
6 6 0 peak 1275 volume 6899647 hpm1 116.853 ppm1 7.564 ppm2 3.233
!# peak 1276-----------------------------------------------
assi (attr store1 < 4.525 and attr store1 > 4.425)
    ((attr store1 < 7.605 and attr store1 > 7.505)
     and bondedto (attr store1 < 117.353 and attr store1 > 116.353))
6 6 0 peak 1276 volume 4653567 hpm1 116.853 ppm1 7.555 ppm2 4.475
!# peak 1277-----------------------------------------------
assi (attr store1 < 4.322 and attr store1 > 4.222)
    ((attr store1 < 7.609 and attr store1 > 7.509)
     and bondedto (attr store1 < 117.367 and attr store1 > 116.367))
6 6 0 peak 1277 volume 40692632 hpm1 116.867 ppm1 7.559 ppm2 4.272
!# peak 1278-----------------------------------------------
assi (attr store1 < 4.042 and attr store1 > 3.942)
    ((attr store1 < 7.608 and attr store1 > 7.508)
     and bondedto (attr store1 < 117.373 and attr store1 > 116.373))
6 6 0 peak 1278 volume 7667424 hpm1 116.873 ppm1 7.558 ppm2 3.992
!# peak 1279-----------------------------------------------
assi (attr store1 < 3.066 and attr store1 > 2.966)
    ((attr store1 < 7.610 and attr store1 > 7.510)
     and bondedto (attr store1 < 117.353 and attr store1 > 116.353))
6 6 0 peak 1279 volume 1871540 hpm1 116.853 ppm1 7.560 ppm2 3.016
!# peak 1280-----------------------------------------------
assi (attr store1 < 7.304 and attr store1 > 7.204)
    ((attr store1 < 7.609 and attr store1 > 7.509)
     and bondedto (attr store1 < 117.366 and attr store1 > 116.366))
6 6 0 peak 1280 volume 25655160 hpm1 116.866 ppm1 7.559 ppm2 7.254
!# peak 1281-----------------------------------------------
assi (attr store1 < 0.542 and attr store1 > 0.442)
    ((attr store1 < 8.092 and attr store1 > 7.992)
     and bondedto (attr store1 < 117.543 and attr store1 > 116.543))
6 6 0 peak 1281 volume 0.2562079e+07 hpm1 117.043 ppm1 8.042 ppm2 0.492
!# peak 1282-----------------------------------------------
assi (attr store1 < 3.418 and attr store1 > 3.318)
    ((attr store1 < 8.099 and attr store1 > 7.999)
     and bondedto (attr store1 < 117.530 and attr store1 > 116.530))
6 6 0 peak 1282 volume 4414088 hpm1 117.030 ppm1 8.049 ppm2 3.368
!# peak 1283-----------------------------------------------
assi (attr store1 < 4.14 and attr store1 > 4.04)
    ((attr store1 < 8.096 and attr store1 > 7.996)
     and bondedto (attr store1 < 117.546 and attr store1 > 116.546))
6 6 0 peak 1283 volume 12130460 hpm1 117.046 ppm1 8.046 ppm2 4.09
!# peak 1284-----------------------------------------------
assi (attr store1 < 6.761 and attr store1 > 6.661)
    ((attr store1 < 8.102 and attr store1 > 8.002)
     and bondedto (attr store1 < 117.562 and attr store1 > 116.562))
6 6 0 peak 1284 volume 1116186 hpm1 117.062 ppm1 8.052 ppm2 6.711
!# peak 1285-----------------------------------------------
assi (attr store1 < 9.447 and attr store1 > 9.347)
    ((attr store1 < 8.098 and attr store1 > 7.998)
     and bondedto (attr store1 < 117.681 and attr store1 > 116.681))
6 6 0 peak 1285 volume 0.9819801e+06 hpm1 117.181 ppm1 8.048 ppm2 9.397
!# peak 1286-----------------------------------------------
assi (attr store1 < 9.231 and attr store1 > 9.131)
    ((attr store1 < 8.093 and attr store1 > 7.993)
     and bondedto (attr store1 < 117.632 and attr store1 > 116.632))
6 6 0 peak 1286 volume 2643860 hpm1 117.132 ppm1 8.043 ppm2 9.181
!# peak 1287-----------------------------------------------
assi (attr store1 < 8.637 and attr store1 > 8.537)
    ((attr store1 < 8.095 and attr store1 > 7.995)
     and bondedto (attr store1 < 117.540 and attr store1 > 116.540))
6 6 0 peak 1287 volume 18101130 hpm1 117.040 ppm1 8.045 ppm2 8.587
!# peak 1288-----------------------------------------------
assi (attr store1 < 7.391 and attr store1 > 7.291)
    ((attr store1 < 8.099 and attr store1 > 7.999)
     and bondedto (attr store1 < 117.553 and attr store1 > 116.553))
6 6 0 peak 1288 volume 8129696 hpm1 117.053 ppm1 8.049 ppm2 7.341
!# peak 1289-----------------------------------------------
assi (attr store1 < 0.86 and attr store1 > 0.76)
    ((attr store1 < 7.190 and attr store1 > 7.090)
     and bondedto (attr store1 < 117.522 and attr store1 > 116.522))
6 6 0 peak 1289 volume 2750667 hpm1 117.022 ppm1 7.140 ppm2 0.81
!# peak 1290-----------------------------------------------
assi (attr store1 < 0.684 and attr store1 > 0.584)
    ((attr store1 < 7.187 and attr store1 > 7.087)
     and bondedto (attr store1 < 117.557 and attr store1 > 116.557))
6 6 0 peak 1290 volume 1560865 hpm1 117.057 ppm1 7.137 ppm2 0.634
!# peak 1291-----------------------------------------------
assi (attr store1 < 0.135 and attr store1 > 0.036)
    ((attr store1 < 7.281 and attr store1 > 7.181)
     and bondedto (attr store1 < 117.530 and attr store1 > 116.530))
6 6 0 peak 1291 volume 1541758 hpm1 117.030 ppm1 7.231 ppm2 0.085
!# peak 1292-----------------------------------------------
assi (attr store1 < 3.066 and attr store1 > 2.966)
    ((attr store1 < 7.188 and attr store1 > 7.088)
     and bondedto (attr store1 < 117.547 and attr store1 > 116.547))
6 6 0 peak 1292 volume 17920280 hpm1 117.047 ppm1 7.138 ppm2 3.016
!# peak 1293-----------------------------------------------
assi (attr store1 < 4.04 and attr store1 > 3.94)
    ((attr store1 < 7.282 and attr store1 > 7.182)
     and bondedto (attr store1 < 117.539 and attr store1 > 116.539))
6 6 0 peak 1293 volume 7634033 hpm1 117.039 ppm1 7.232 ppm2 3.99
!# peak 1294-----------------------------------------------
assi (attr store1 < 4.006 and attr store1 > 3.906)
    ((attr store1 < 7.189 and attr store1 > 7.089)
     and bondedto (attr store1 < 117.569 and attr store1 > 116.569))
6 6 0 peak 1294 volume 4594094 hpm1 117.069 ppm1 7.139 ppm2 3.956
!# peak 1295-----------------------------------------------
assi (attr store1 < 3.741 and attr store1 > 3.641)
    ((attr store1 < 7.191 and attr store1 > 7.091)
     and bondedto (attr store1 < 117.563 and attr store1 > 116.563))
6 6 0 peak 1295 volume 3661173 hpm1 117.063 ppm1 7.141 ppm2 3.691
!# peak 1296-----------------------------------------------
assi (attr store1 < 8.239 and attr store1 > 8.139)
    ((attr store1 < 7.279 and attr store1 > 7.179)
     and bondedto (attr store1 < 117.548 and attr store1 > 116.548))
6 6 0 peak 1296 volume 18328770 hpm1 117.048 ppm1 7.229 ppm2 8.189
!# peak 1297-----------------------------------------------
assi (attr store1 < 2.569 and attr store1 > 2.469)
    ((attr store1 < 8.004 and attr store1 > 7.904)
     and bondedto (attr store1 < 117.761 and attr store1 > 116.761))
6 6 0 peak 1297 volume 35027060 hpm1 117.261 ppm1 7.954 ppm2 2.519
!# peak 1298-----------------------------------------------
assi (attr store1 < 2.163 and attr store1 > 2.063)
    ((attr store1 < 7.998 and attr store1 > 7.898)
     and bondedto (attr store1 < 117.748 and attr store1 > 116.748))
6 6 0 peak 1298 volume 19916510 hpm1 117.248 ppm1 7.948 ppm2 2.113
!# peak 1299-----------------------------------------------
assi (attr store1 < 3.962 and attr store1 > 3.862)
    ((attr store1 < 7.998 and attr store1 > 7.898)
     and bondedto (attr store1 < 117.743 and attr store1 > 116.743))
6 6 0 peak 1299 volume 7366318 hpm1 117.243 ppm1 7.948 ppm2 3.912
!# peak 1300-----------------------------------------------
assi (attr store1 < 8.607 and attr store1 > 8.507)
    ((attr store1 < 8.003 and attr store1 > 7.903)
     and bondedto (attr store1 < 117.727 and attr store1 > 116.727))
6 6 0 peak 1300 volume 4998824 hpm1 117.227 ppm1 7.953 ppm2 8.557
!# peak 1301-----------------------------------------------
assi (attr store1 < 1.179 and attr store1 > 1.079)
    ((attr store1 < 7.392 and attr store1 > 7.292)
     and bondedto (attr store1 < 118.156 and attr store1 > 117.156))
6 6 0 peak 1301 volume 1729454 hpm1 117.656 ppm1 7.342 ppm2 1.129
!# peak 1302-----------------------------------------------
assi (attr store1 < 1.366 and attr store1 > 1.266)
    ((attr store1 < 7.732 and attr store1 > 7.632)
     and bondedto (attr store1 < 118.129 and attr store1 > 117.129))
6 6 0 peak 1302 volume 1284960 hpm1 117.629 ppm1 7.682 ppm2 1.316
!# peak 1303-----------------------------------------------
assi (attr store1 < 1.174 and attr store1 > 1.074)
    ((attr store1 < 7.727 and attr store1 > 7.627)
     and bondedto (attr store1 < 118.104 and attr store1 > 117.104))
6 6 0 peak 1303 volume 4616992 hpm1 117.604 ppm1 7.677 ppm2 1.124
!# peak 1304-----------------------------------------------
assi (attr store1 < 0.938 and attr store1 > 0.838)
    ((attr store1 < 7.723 and attr store1 > 7.623)
     and bondedto (attr store1 < 118.173 and attr store1 > 117.173))
6 6 0 peak 1304 volume 0.9584263e+06 hpm1 117.673 ppm1 7.673 ppm2 0.888
!# peak 1305-----------------------------------------------
assi (attr store1 < 3.059 and attr store1 > 2.959)
    ((attr store1 < 8.248 and attr store1 > 8.148)
     and bondedto (attr store1 < 118.081 and attr store1 > 117.081))
6 6 0 peak 1305 volume 0.7344438e+06 hpm1 117.581 ppm1 8.198 ppm2 3.009
!# peak 1306-----------------------------------------------
assi (attr store1 < 1.807 and attr store1 > 1.707)
    ((attr store1 < 8.249 and attr store1 > 8.149)
     and bondedto (attr store1 < 118.076 and attr store1 > 117.076))
6 6 0 peak 1306 volume 10095190 hpm1 117.576 ppm1 8.199 ppm2 1.757
!# peak 1307-----------------------------------------------
assi (attr store1 < 2.63 and attr store1 > 2.53)
    ((attr store1 < 8.243 and attr store1 > 8.143)
     and bondedto (attr store1 < 118.076 and attr store1 > 117.076))
6 6 0 peak 1307 volume 0.3398869e+05 hpm1 117.576 ppm1 8.193 ppm2 2.58
!# peak 1308-----------------------------------------------
assi (attr store1 < 1.577 and attr store1 > 1.477)
    ((attr store1 < 8.244 and attr store1 > 8.144)
     and bondedto (attr store1 < 118.105 and attr store1 > 117.105))
6 6 0 peak 1308 volume 83939096 hpm1 117.605 ppm1 8.194 ppm2 1.527
!# peak 1309-----------------------------------------------
assi (attr store1 < 8.099 and attr store1 > 7.999)
    ((attr store1 < 8.245 and attr store1 > 8.145)
     and bondedto (attr store1 < 118.106 and attr store1 > 117.106))
6 6 0 peak 1309 volume 25251580 hpm1 117.606 ppm1 8.195 ppm2 8.049
!# peak 1310-----------------------------------------------
assi (attr store1 < 9.06 and attr store1 > 8.96)
    ((attr store1 < 7.395 and attr store1 > 7.295)
     and bondedto (attr store1 < 118.177 and attr store1 > 117.177))
6 6 0 peak 1310 volume 2413768 hpm1 117.677 ppm1 7.345 ppm2 9.01
!# peak 1311-----------------------------------------------
assi (attr store1 < 8.136 and attr store1 > 8.036)
    ((attr store1 < 7.728 and attr store1 > 7.628)
     and bondedto (attr store1 < 118.088 and attr store1 > 117.088))
6 6 0 peak 1311 volume 10358030 hpm1 117.588 ppm1 7.678 ppm2 8.086
!# peak 1312-----------------------------------------------
assi (attr store1 < 8.076 and attr store1 > 7.976)
    ((attr store1 < 7.729 and attr store1 > 7.629)
     and bondedto (attr store1 < 118.124 and attr store1 > 117.124))
6 6 0 peak 1312 volume 4000079 hpm1 117.624 ppm1 7.679 ppm2 8.026
!# peak 1313-----------------------------------------------
assi (attr store1 < 0.547 and attr store1 > 0.447)
    ((attr store1 < 8.090 and attr store1 > 7.990)
     and bondedto (attr store1 < 118.714 and attr store1 > 117.714))
6 6 0 peak 1313 volume 1275627 hpm1 118.214 ppm1 8.040 ppm2 0.497
!# peak 1314-----------------------------------------------
assi (attr store1 < 2.622 and attr store1 > 2.522)
    ((attr store1 < 8.090 and attr store1 > 7.990)
     and bondedto (attr store1 < 118.711 and attr store1 > 117.711))
6 6 0 peak 1314 volume 30745960 hpm1 118.211 ppm1 8.040 ppm2 2.572
!# peak 1315-----------------------------------------------
assi (attr store1 < 2.393 and attr store1 > 2.293)
    ((attr store1 < 8.089 and attr store1 > 7.989)
     and bondedto (attr store1 < 118.713 and attr store1 > 117.713))
6 6 0 peak 1315 volume 3428503 hpm1 118.213 ppm1 8.039 ppm2 2.343
!# peak 1316-----------------------------------------------
assi (attr store1 < 2.21 and attr store1 > 2.11)
    ((attr store1 < 8.092 and attr store1 > 7.992)
     and bondedto (attr store1 < 118.713 and attr store1 > 117.713))
6 6 0 peak 1316 volume 11948560 hpm1 118.213 ppm1 8.042 ppm2 2.16
!# peak 1317-----------------------------------------------
assi (attr store1 < 2.037 and attr store1 > 1.937)
    ((attr store1 < 8.100 and attr store1 > 8.000)
     and bondedto (attr store1 < 118.720 and attr store1 > 117.720))
6 6 0 peak 1317 volume 0.2990496e+07 hpm1 118.220 ppm1 8.050 ppm2 1.987
!# peak 1318-----------------------------------------------
assi (attr store1 < 4.378 and attr store1 > 4.278)
    ((attr store1 < 8.091 and attr store1 > 7.991)
     and bondedto (attr store1 < 118.696 and attr store1 > 117.696))
6 6 0 peak 1318 volume 1407186 hpm1 118.196 ppm1 8.041 ppm2 4.328
!# peak 1319-----------------------------------------------
assi (attr store1 < 6.975 and attr store1 > 6.875)
    ((attr store1 < 8.092 and attr store1 > 7.992)
     and bondedto (attr store1 < 118.696 and attr store1 > 117.696))
6 6 0 peak 1319 volume 0.9914426e+06 hpm1 118.196 ppm1 8.042 ppm2 6.925
!# peak 1320-----------------------------------------------
assi (attr store1 < 6.11 and attr store1 > 6.01)
    ((attr store1 < 8.089 and attr store1 > 7.989)
     and bondedto (attr store1 < 118.650 and attr store1 > 117.650))
6 6 0 peak 1320 volume 0.8347925e+06 hpm1 118.150 ppm1 8.039 ppm2 6.06
!# peak 1321-----------------------------------------------
assi (attr store1 < 7.803 and attr store1 > 7.703)
    ((attr store1 < 8.093 and attr store1 > 7.993)
     and bondedto (attr store1 < 118.708 and attr store1 > 117.708))
6 6 0 peak 1321 volume 0.7029686e+05 hpm1 118.208 ppm1 8.043 ppm2 7.753
!# peak 1322-----------------------------------------------
assi (attr store1 < 9.196 and attr store1 > 9.096)
    ((attr store1 < 8.086 and attr store1 > 7.986)
     and bondedto (attr store1 < 118.752 and attr store1 > 117.752))
6 6 0 peak 1322 volume 0.9141916e+06 hpm1 118.252 ppm1 8.036 ppm2 9.146
!# peak 1323-----------------------------------------------
assi (attr store1 < 8.733 and attr store1 > 8.633)
    ((attr store1 < 8.094 and attr store1 > 7.994)
     and bondedto (attr store1 < 118.700 and attr store1 > 117.700))
6 6 0 peak 1323 volume 1072613 hpm1 118.200 ppm1 8.044 ppm2 8.683
!# peak 1324-----------------------------------------------
assi (attr store1 < 2.023 and attr store1 > 1.923)
    ((attr store1 < 7.676 and attr store1 > 7.576)
     and bondedto (attr store1 < 118.862 and attr store1 > 117.862))
6 6 0 peak 1324 volume 48425908 hpm1 118.362 ppm1 7.626 ppm2 1.973
!# peak 1325-----------------------------------------------
assi (attr store1 < 2.199 and attr store1 > 2.099)
    ((attr store1 < 7.671 and attr store1 > 7.571)
     and bondedto (attr store1 < 118.870 and attr store1 > 117.870))
6 6 0 peak 1325 volume 30865570 hpm1 118.370 ppm1 7.621 ppm2 2.149
!# peak 1326-----------------------------------------------
assi (attr store1 < 1.358 and attr store1 > 1.258)
    ((attr store1 < 7.669 and attr store1 > 7.569)
     and bondedto (attr store1 < 118.862 and attr store1 > 117.862))
6 6 0 peak 1326 volume 5002497 hpm1 118.362 ppm1 7.619 ppm2 1.308
!# peak 1327-----------------------------------------------
assi (attr store1 < 0.934 and attr store1 > 0.834)
    ((attr store1 < 7.681 and attr store1 > 7.581)
     and bondedto (attr store1 < 118.87 and attr store1 > 117.87))
6 6 0 peak 1327 volume 4004105 hpm1 118.37 ppm1 7.631 ppm2 0.884
!# peak 1328-----------------------------------------------
assi (attr store1 < 3.414 and attr store1 > 3.314)
    ((attr store1 < 7.671 and attr store1 > 7.571)
     and bondedto (attr store1 < 118.831 and attr store1 > 117.831))
6 6 0 peak 1328 volume 3838461 hpm1 118.331 ppm1 7.621 ppm2 3.364
!# peak 1329-----------------------------------------------
assi (attr store1 < 3.255 and attr store1 > 3.155)
    ((attr store1 < 7.678 and attr store1 > 7.578)
     and bondedto (attr store1 < 118.853 and attr store1 > 117.853))
6 6 0 peak 1329 volume 1938024 hpm1 118.353 ppm1 7.628 ppm2 3.205
!# peak 1330-----------------------------------------------
assi (attr store1 < 7.843 and attr store1 > 7.743)
    ((attr store1 < 7.673 and attr store1 > 7.573)
     and bondedto (attr store1 < 118.837 and attr store1 > 117.837))
6 6 0 peak 1330 volume 217137200 hpm1 118.337 ppm1 7.623 ppm2 7.793
!# peak 1331-----------------------------------------------
assi (attr store1 < 8.117 and attr store1 > 8.017)
    ((attr store1 < 7.576 and attr store1 > 7.476)
     and bondedto (attr store1 < 119.028 and attr store1 > 118.028))
6 6 0 peak 1331 volume 47305628 hpm1 118.528 ppm1 7.526 ppm2 8.067
!# peak 1332-----------------------------------------------
assi (attr store1 < 8.108 and attr store1 > 8.008)
    ((attr store1 < 7.671 and attr store1 > 7.571)
     and bondedto (attr store1 < 118.837 and attr store1 > 117.837))
6 6 0 peak 1332 volume 9538309 hpm1 118.337 ppm1 7.621 ppm2 8.058
!# peak 1333-----------------------------------------------
assi (attr store1 < 0.866 and attr store1 > 0.766)
    ((attr store1 < 6.802 and attr store1 > 6.702)
     and bondedto (attr store1 < 119.099 and attr store1 > 118.099))
6 6 0 peak 1333 volume 12970661 hpm1 118.599 ppm1 6.752 ppm2 0.816
!# peak 1334-----------------------------------------------
assi (attr store1 < 3.419 and attr store1 > 3.319)
    ((attr store1 < 6.804 and attr store1 > 6.704)
     and bondedto (attr store1 < 119.122 and attr store1 > 118.122))
6 6 0 peak 1334 volume 7145123 hpm1 118.622 ppm1 6.754 ppm2 3.369
!# peak 1335-----------------------------------------------
assi (attr store1 < 0.672 and attr store1 > 0.572)
    ((attr store1 < 7.888 and attr store1 > 7.788)
     and bondedto (attr store1 < 119.222 and attr store1 > 118.222))
6 6 0 peak 1335 volume 12848750 hpm1 118.722 ppm1 7.838 ppm2 0.622
!# peak 1336-----------------------------------------------
assi (attr store1 < 0.4 and attr store1 > 0.3)
    ((attr store1 < 7.898 and attr store1 > 7.798)
     and bondedto (attr store1 < 119.231 and attr store1 > 118.231))
6 6 0 peak 1336 volume 0.9509833e+06 hpm1 118.731 ppm1 7.848 ppm2 0.35
!# peak 1337-----------------------------------------------
assi (attr store1 < 1.442 and attr store1 > 1.342)
    ((attr store1 < 8.000 and attr store1 > 7.900)
     and bondedto (attr store1 < 119.234 and attr store1 > 118.234))
6 6 0 peak 1337 volume 10036220 hpm1 118.734 ppm1 7.950 ppm2 1.392
!# peak 1338-----------------------------------------------
assi (attr store1 < 2.62 and attr store1 > 2.52)
    ((attr store1 < 8.000 and attr store1 > 7.900)
     and bondedto (attr store1 < 119.257 and attr store1 > 118.257))
6 6 0 peak 1338 volume 5327987 hpm1 118.757 ppm1 7.950 ppm2 2.57
!# peak 1339-----------------------------------------------
assi (attr store1 < 2.471 and attr store1 > 2.371)
    ((attr store1 < 7.900 and attr store1 > 7.800)
     and bondedto (attr store1 < 119.255 and attr store1 > 118.255))
6 6 0 peak 1339 volume 21742290 hpm1 118.755 ppm1 7.850 ppm2 2.421
!# peak 1340-----------------------------------------------
assi (attr store1 < 4.537 and attr store1 > 4.437)
    ((attr store1 < 7.886 and attr store1 > 7.786)
     and bondedto (attr store1 < 119.250 and attr store1 > 118.250))
6 6 0 peak 1340 volume 13368779 hpm1 118.750 ppm1 7.836 ppm2 4.487
!# peak 1342-----------------------------------------------
assi (attr store1 < 9.227 and attr store1 > 9.127)
    ((attr store1 < 7.575 and attr store1 > 7.475)
     and bondedto (attr store1 < 119.255 and attr store1 > 118.255))
6 6 0 peak 1342 volume 2010975 hpm1 118.755 ppm1 7.525 ppm2 9.177
!# peak 1343-----------------------------------------------
assi (attr store1 < 8.643 and attr store1 > 8.543)
    ((attr store1 < 7.585 and attr store1 > 7.485)
     and bondedto (attr store1 < 119.332 and attr store1 > 118.332))
6 6 0 peak 1343 volume 5589815 hpm1 118.832 ppm1 7.535 ppm2 8.593
!# peak 1344-----------------------------------------------
assi (attr store1 < 7.888 and attr store1 > 7.788)
    ((attr store1 < 7.589 and attr store1 > 7.489)
     and bondedto (attr store1 < 119.352 and attr store1 > 118.352))
6 6 0 peak 1344 volume 39590748 hpm1 118.852 ppm1 7.539 ppm2 7.838
!# peak 1347-----------------------------------------------
assi (attr store1 < 0.15 and attr store1 > 0.05)
    ((attr store1 < 8.450 and attr store1 > 8.350)
     and bondedto (attr store1 < 119.404 and attr store1 > 118.404))
6 6 0 peak 1347 volume 0.5702002e+06 hpm1 118.904 ppm1 8.400 ppm2 0.1
!# peak 1348-----------------------------------------------
assi (attr store1 < 0.809 and attr store1 > 0.709)
    ((attr store1 < 8.451 and attr store1 > 8.351)
     and bondedto (attr store1 < 119.398 and attr store1 > 118.398))
6 6 0 peak 1348 volume 3153384 hpm1 118.898 ppm1 8.401 ppm2 0.759
!# peak 1349-----------------------------------------------
assi (attr store1 < 3.68 and attr store1 > 3.58)
    ((attr store1 < 8.454 and attr store1 > 8.354)
     and bondedto (attr store1 < 119.432 and attr store1 > 118.432))
6 6 0 peak 1349 volume 0.5085512e+06 hpm1 118.932 ppm1 8.404 ppm2 3.63
!# peak 1350-----------------------------------------------
assi (attr store1 < 4.234 and attr store1 > 4.134)
    ((attr store1 < 8.447 and attr store1 > 8.347)
     and bondedto (attr store1 < 119.418 and attr store1 > 118.418))
6 6 0 peak 1350 volume 0.6216226e+06 hpm1 118.918 ppm1 8.397 ppm2 4.184
!# peak 1351-----------------------------------------------
assi (attr store1 < 0.835 and attr store1 > 0.735)
    ((attr store1 < 7.580 and attr store1 > 7.480)
     and bondedto (attr store1 < 119.360 and attr store1 > 118.360))
6 6 0 peak 1351 volume 3306819 hpm1 118.860 ppm1 7.530 ppm2 0.785
!# peak 1352-----------------------------------------------
assi (attr store1 < 0.31 and attr store1 > 0.21)
    ((attr store1 < 7.595 and attr store1 > 7.495)
     and bondedto (attr store1 < 119.467 and attr store1 > 118.467))
6 6 0 peak 1352 volume 1012633 hpm1 118.967 ppm1 7.545 ppm2 0.26
!# peak 1353-----------------------------------------------
assi (attr store1 < 4.087 and attr store1 > 3.987)
    ((attr store1 < 7.587 and attr store1 > 7.487)
     and bondedto (attr store1 < 119.451 and attr store1 > 118.451))
6 6 0 peak 1353 volume 21312070 hpm1 118.951 ppm1 7.537 ppm2 4.037
!# peak 1354-----------------------------------------------
assi (attr store1 < 3.664 and attr store1 > 3.564)
    ((attr store1 < 7.602 and attr store1 > 7.502)
     and bondedto (attr store1 < 119.392 and attr store1 > 118.392))
6 6 0 peak 1354 volume 1681924 hpm1 118.892 ppm1 7.552 ppm2 3.614
!# peak 1355-----------------------------------------------
assi (attr store1 < 3.918 and attr store1 > 3.818)
    ((attr store1 < 7.586 and attr store1 > 7.486)
     and bondedto (attr store1 < 119.451 and attr store1 > 118.451))
6 6 0 peak 1355 volume 27071390 hpm1 118.951 ppm1 7.536 ppm2 3.868
!# peak 1356-----------------------------------------------
assi (attr store1 < 4.579 and attr store1 > 4.479)
    ((attr store1 < 7.588 and attr store1 > 7.488)
     and bondedto (attr store1 < 119.450 and attr store1 > 118.450))
6 6 0 peak 1356 volume 28840960 hpm1 118.950 ppm1 7.538 ppm2 4.529
!# peak 1357-----------------------------------------------
assi (attr store1 < 7.163 and attr store1 > 7.063)
    ((attr store1 < 7.578 and attr store1 > 7.478)
     and bondedto (attr store1 < 119.412 and attr store1 > 118.412))
6 6 0 peak 1357 volume 0.1854705e+07 hpm1 118.912 ppm1 7.528 ppm2 7.113
!# peak 1358-----------------------------------------------
assi (attr store1 < 0.936 and attr store1 > 0.836)
    ((attr store1 < 8.084 and attr store1 > 7.984)
     and bondedto (attr store1 < 119.835 and attr store1 > 118.835))
6 6 0 peak 1358 volume 41860132 hpm1 119.335 ppm1 8.034 ppm2 0.886
!# peak 1359-----------------------------------------------
assi (attr store1 < 0.58 and attr store1 > 0.48)
    ((attr store1 < 8.082 and attr store1 > 7.982)
     and bondedto (attr store1 < 119.821 and attr store1 > 118.821))
6 6 0 peak 1359 volume 13753720 hpm1 119.321 ppm1 8.032 ppm2 0.53
!# peak 1360-----------------------------------------------
assi (attr store1 < 0.367 and attr store1 > 0.267)
    ((attr store1 < 8.084 and attr store1 > 7.984)
     and bondedto (attr store1 < 119.856 and attr store1 > 118.856))
6 6 0 peak 1360 volume 12311440 hpm1 119.356 ppm1 8.034 ppm2 0.317
!# peak 1361-----------------------------------------------
assi (attr store1 < 1.318 and attr store1 > 1.218)
    ((attr store1 < 8.086 and attr store1 > 7.986)
     and bondedto (attr store1 < 119.817 and attr store1 > 118.817))
6 6 0 peak 1361 volume 20406620 hpm1 119.317 ppm1 8.036 ppm2 1.268
!# peak 1362-----------------------------------------------
assi (attr store1 < 2.502 and attr store1 > 2.402)
    ((attr store1 < 8.083 and attr store1 > 7.983)
     and bondedto (attr store1 < 119.792 and attr store1 > 118.792))
6 6 0 peak 1362 volume 2315640 hpm1 119.292 ppm1 8.033 ppm2 2.452
!# peak 1364-----------------------------------------------
assi (attr store1 < 3.388 and attr store1 > 3.288)
    ((attr store1 < 8.087 and attr store1 > 7.987)
     and bondedto (attr store1 < 119.808 and attr store1 > 118.808))
6 6 0 peak 1364 volume 19388910 hpm1 119.308 ppm1 8.037 ppm2 3.338
!# peak 1365-----------------------------------------------
assi (attr store1 < 3.258 and attr store1 > 3.158)
    ((attr store1 < 8.086 and attr store1 > 7.986)
     and bondedto (attr store1 < 119.801 and attr store1 > 118.801))
6 6 0 peak 1365 volume 15798320 hpm1 119.301 ppm1 8.036 ppm2 3.208
!# peak 1366-----------------------------------------------
assi (attr store1 < 3.911 and attr store1 > 3.811)
    ((attr store1 < 8.086 and attr store1 > 7.986)
     and bondedto (attr store1 < 119.812 and attr store1 > 118.812))
6 6 0 peak 1366 volume 37554028 hpm1 119.312 ppm1 8.036 ppm2 3.861
!# peak 1367-----------------------------------------------
assi (attr store1 < 7.121 and attr store1 > 7.021)
    ((attr store1 < 8.084 and attr store1 > 7.984)
     and bondedto (attr store1 < 119.836 and attr store1 > 118.836))
6 6 0 peak 1367 volume 15373470 hpm1 119.336 ppm1 8.034 ppm2 7.071
!# peak 1368-----------------------------------------------
assi (attr store1 < 6.855 and attr store1 > 6.755)
    ((attr store1 < 8.079 and attr store1 > 7.979)
     and bondedto (attr store1 < 119.801 and attr store1 > 118.801))
6 6 0 peak 1368 volume 1756331 hpm1 119.301 ppm1 8.029 ppm2 6.805
!# peak 1369-----------------------------------------------
assi (attr store1 < 8.335 and attr store1 > 8.235)
    ((attr store1 < 8.077 and attr store1 > 7.977)
     and bondedto (attr store1 < 119.897 and attr store1 > 118.897))
6 6 0 peak 1369 volume 141077104 hpm1 119.397 ppm1 8.027 ppm2 8.285
!# peak 1370-----------------------------------------------
assi (attr store1 < 8.554 and attr store1 > 8.454)
    ((attr store1 < 8.087 and attr store1 > 7.987)
     and bondedto (attr store1 < 119.822 and attr store1 > 118.822))
6 6 0 peak 1370 volume 9543156 hpm1 119.322 ppm1 8.037 ppm2 8.504
!# peak 1371-----------------------------------------------
assi (attr store1 < 0.189 and attr store1 > 0.089)
    ((attr store1 < 8.662 and attr store1 > 8.562)
     and bondedto (attr store1 < 120.288 and attr store1 > 119.288))
6 6 0 peak 1371 volume 11860140 hpm1 119.788 ppm1 8.612 ppm2 0.139
!# peak 1372-----------------------------------------------
assi (attr store1 < 0.862 and attr store1 > 0.762)
    ((attr store1 < 8.662 and attr store1 > 8.562)
     and bondedto (attr store1 < 120.290 and attr store1 > 119.290))
6 6 0 peak 1372 volume 10465840 hpm1 119.790 ppm1 8.612 ppm2 0.812
!# peak 1373-----------------------------------------------
assi (attr store1 < 1.355 and attr store1 > 1.255)
    ((attr store1 < 8.663 and attr store1 > 8.563)
     and bondedto (attr store1 < 120.286 and attr store1 > 119.286))
6 6 0 peak 1373 volume 4035899 hpm1 119.786 ppm1 8.613 ppm2 1.305
!# peak 1374-----------------------------------------------
assi (attr store1 < 2.373 and attr store1 > 2.273)
    ((attr store1 < 8.666 and attr store1 > 8.566)
     and bondedto (attr store1 < 120.334 and attr store1 > 119.334))
6 6 0 peak 1374 volume 0.8711982e+06 hpm1 119.834 ppm1 8.616 ppm2 2.323
!# peak 1375-----------------------------------------------
assi (attr store1 < 1.372 and attr store1 > 1.272)
    ((attr store1 < 8.063 and attr store1 > 7.963)
     and bondedto (attr store1 < 120.349 and attr store1 > 119.349))
6 6 0 peak 1375 volume 22368820 hpm1 119.849 ppm1 8.013 ppm2 1.322
!# peak 1376-----------------------------------------------
assi (attr store1 < 2.194 and attr store1 > 2.094)
    ((attr store1 < 8.058 and attr store1 > 7.958)
     and bondedto (attr store1 < 120.244 and attr store1 > 119.244))
6 6 0 peak 1376 volume 23763790 hpm1 119.744 ppm1 8.008 ppm2 2.144
!# peak 1377-----------------------------------------------
assi (attr store1 < 2.013 and attr store1 > 1.913)
    ((attr store1 < 8.060 and attr store1 > 7.960)
     and bondedto (attr store1 < 120.210 and attr store1 > 119.210))
6 6 0 peak 1377 volume 47739460 hpm1 119.710 ppm1 8.010 ppm2 1.963
!# peak 1378-----------------------------------------------
assi (attr store1 < 1.702 and attr store1 > 1.602)
    ((attr store1 < 8.065 and attr store1 > 7.965)
     and bondedto (attr store1 < 120.373 and attr store1 > 119.373))
6 6 0 peak 1378 volume 100603104 hpm1 119.873 ppm1 8.015 ppm2 1.652
!# peak 1379-----------------------------------------------
assi (attr store1 < 1.541 and attr store1 > 1.441)
    ((attr store1 < 8.065 and attr store1 > 7.965)
     and bondedto (attr store1 < 120.382 and attr store1 > 119.382))
6 6 0 peak 1379 volume 71629128 hpm1 119.882 ppm1 8.015 ppm2 1.491
!# peak 1380-----------------------------------------------
assi (attr store1 < 2.386 and attr store1 > 2.286)
    ((attr store1 < 8.063 and attr store1 > 7.963)
     and bondedto (attr store1 < 120.349 and attr store1 > 119.349))
6 6 0 peak 1380 volume 2888528 hpm1 119.849 ppm1 8.013 ppm2 2.336
!# peak 1381-----------------------------------------------
assi (attr store1 < 0.401 and attr store1 > 0.301)
    ((attr store1 < 8.065 and attr store1 > 7.965)
     and bondedto (attr store1 < 120.377 and attr store1 > 119.377))
6 6 0 peak 1381 volume 16623271 hpm1 119.877 ppm1 8.015 ppm2 0.351
!# peak 1382-----------------------------------------------
assi (attr store1 < 1.932 and attr store1 > 1.832)
    ((attr store1 < 7.421 and attr store1 > 7.321)
     and bondedto (attr store1 < 120.374 and attr store1 > 119.374))
6 6 0 peak 1382 volume 13499419 hpm1 119.874 ppm1 7.371 ppm2 1.882
!# peak 1383-----------------------------------------------
assi (attr store1 < 1.709 and attr store1 > 1.609)
    ((attr store1 < 7.420 and attr store1 > 7.320)
     and bondedto (attr store1 < 120.427 and attr store1 > 119.427))
6 6 0 peak 1383 volume 13019881 hpm1 119.927 ppm1 7.370 ppm2 1.659
!# peak 1384-----------------------------------------------
assi (attr store1 < 1.498 and attr store1 > 1.398)
    ((attr store1 < 7.421 and attr store1 > 7.321)
     and bondedto (attr store1 < 120.382 and attr store1 > 119.382))
6 6 0 peak 1384 volume 4790336 hpm1 119.882 ppm1 7.371 ppm2 1.448
!# peak 1385-----------------------------------------------
assi (attr store1 < 1.365 and attr store1 > 1.265)
    ((attr store1 < 7.412 and attr store1 > 7.312)
     and bondedto (attr store1 < 120.434 and attr store1 > 119.434))
6 6 0 peak 1385 volume 4069196 hpm1 119.934 ppm1 7.362 ppm2 1.315
!# peak 1386-----------------------------------------------
assi (attr store1 < 1.169 and attr store1 > 1.069)
    ((attr store1 < 7.419 and attr store1 > 7.319)
     and bondedto (attr store1 < 120.422 and attr store1 > 119.422))
6 6 0 peak 1386 volume 7457936 hpm1 119.922 ppm1 7.369 ppm2 1.119
!# peak 1387-----------------------------------------------
assi (attr store1 < 4.329 and attr store1 > 4.229)
    ((attr store1 < 8.663 and attr store1 > 8.563)
     and bondedto (attr store1 < 120.293 and attr store1 > 119.293))
6 6 0 peak 1387 volume 4351163 hpm1 119.793 ppm1 8.613 ppm2 4.279
!# peak 1388-----------------------------------------------
assi (attr store1 < 3.421 and attr store1 > 3.321)
    ((attr store1 < 8.070 and attr store1 > 7.970)
     and bondedto (attr store1 < 120.278 and attr store1 > 119.278))
6 6 0 peak 1388 volume 15868580 hpm1 119.778 ppm1 8.020 ppm2 3.371
!# peak 1389-----------------------------------------------
assi (attr store1 < 3.247 and attr store1 > 3.147)
    ((attr store1 < 8.066 and attr store1 > 7.966)
     and bondedto (attr store1 < 120.265 and attr store1 > 119.265))
6 6 0 peak 1389 volume 10493760 hpm1 119.765 ppm1 8.016 ppm2 3.197
!# peak 1390-----------------------------------------------
assi (attr store1 < 3.058 and attr store1 > 2.958)
    ((attr store1 < 8.062 and attr store1 > 7.962)
     and bondedto (attr store1 < 120.343 and attr store1 > 119.343))
6 6 0 peak 1390 volume 6843002 hpm1 119.843 ppm1 8.012 ppm2 3.008
!# peak 1391-----------------------------------------------
assi (attr store1 < 4.959 and attr store1 > 4.859)
    ((attr store1 < 8.059 and attr store1 > 7.959)
     and bondedto (attr store1 < 120.210 and attr store1 > 119.210))
6 6 0 peak 1391 volume 5446957 hpm1 119.710 ppm1 8.009 ppm2 4.909
!# peak 1393-----------------------------------------------
assi (attr store1 < 3.753 and attr store1 > 3.653)
    ((attr store1 < 7.413 and attr store1 > 7.313)
     and bondedto (attr store1 < 120.443 and attr store1 > 119.443))
6 6 0 peak 1393 volume 5643130 hpm1 119.943 ppm1 7.363 ppm2 3.703
!# peak 1394-----------------------------------------------
assi (attr store1 < 3.556 and attr store1 > 3.456)
    ((attr store1 < 7.400 and attr store1 > 7.300)
     and bondedto (attr store1 < 120.376 and attr store1 > 119.376))
6 6 0 peak 1394 volume 8450494 hpm1 119.876 ppm1 7.350 ppm2 3.506
!# peak 1395-----------------------------------------------
assi (attr store1 < 3.411 and attr store1 > 3.311)
    ((attr store1 < 7.415 and attr store1 > 7.315)
     and bondedto (attr store1 < 120.446 and attr store1 > 119.446))
6 6 0 peak 1395 volume 12045610 hpm1 119.946 ppm1 7.365 ppm2 3.361
!# peak 1396-----------------------------------------------
assi (attr store1 < 4.199 and attr store1 > 4.099)
    ((attr store1 < 7.422 and attr store1 > 7.322)
     and bondedto (attr store1 < 120.396 and attr store1 > 119.396))
6 6 0 peak 1396 volume 17405430 hpm1 119.896 ppm1 7.372 ppm2 4.149
!# peak 1397-----------------------------------------------
assi (attr store1 < 4.513 and attr store1 > 4.413)
    ((attr store1 < 7.422 and attr store1 > 7.322)
     and bondedto (attr store1 < 120.384 and attr store1 > 119.384))
6 6 0 peak 1397 volume 19778090 hpm1 119.884 ppm1 7.372 ppm2 4.463
!# peak 1398-----------------------------------------------
assi (attr store1 < 7.612 and attr store1 > 7.512)
    ((attr store1 < 8.657 and attr store1 > 8.557)
     and bondedto (attr store1 < 120.370 and attr store1 > 119.370))
6 6 0 peak 1398 volume 0.929062e+05 hpm1 119.870 ppm1 8.607 ppm2 7.562
!# peak 1399-----------------------------------------------
assi (attr store1 < 7.236 and attr store1 > 7.136)
    ((attr store1 < 8.662 and attr store1 > 8.562)
     and bondedto (attr store1 < 120.336 and attr store1 > 119.336))
6 6 0 peak 1399 volume 1746956 hpm1 119.836 ppm1 8.612 ppm2 7.186
!# peak 1400-----------------------------------------------
assi (attr store1 < 7.026 and attr store1 > 6.926)
    ((attr store1 < 8.667 and attr store1 > 8.567)
     and bondedto (attr store1 < 120.324 and attr store1 > 119.324))
6 6 0 peak 1400 volume 0.1629064e+07 hpm1 119.824 ppm1 8.617 ppm2 6.976
!# peak 1401-----------------------------------------------
assi (attr store1 < 6.111 and attr store1 > 6.011)
    ((attr store1 < 8.664 and attr store1 > 8.564)
     and bondedto (attr store1 < 120.304 and attr store1 > 119.304))
6 6 0 peak 1401 volume 0.6547278e+06 hpm1 119.804 ppm1 8.614 ppm2 6.061
!# peak 1402-----------------------------------------------
assi (attr store1 < 8.146 and attr store1 > 8.046)
    ((attr store1 < 8.664 and attr store1 > 8.564)
     and bondedto (attr store1 < 120.306 and attr store1 > 119.306))
6 6 0 peak 1402 volume 0.6580968e+06 hpm1 119.806 ppm1 8.614 ppm2 8.096
!# peak 1403-----------------------------------------------
assi (attr store1 < 9.099 and attr store1 > 8.999)
    ((attr store1 < 8.660 and attr store1 > 8.560)
     and bondedto (attr store1 < 120.224 and attr store1 > 119.224))
6 6 0 peak 1403 volume 1105165 hpm1 119.724 ppm1 8.610 ppm2 9.049
!# peak 1404-----------------------------------------------
assi (attr store1 < 8.565 and attr store1 > 8.465)
    ((attr store1 < 8.058 and attr store1 > 7.958)
     and bondedto (attr store1 < 120.291 and attr store1 > 119.291))
6 6 0 peak 1404 volume 27579280 hpm1 119.791 ppm1 8.008 ppm2 8.515
!# peak 1405-----------------------------------------------
assi (attr store1 < 7.8 and attr store1 > 7.7)
    ((attr store1 < 8.065 and attr store1 > 7.965)
     and bondedto (attr store1 < 120.267 and attr store1 > 119.267))
6 6 0 peak 1405 volume 23364180 hpm1 119.767 ppm1 8.015 ppm2 7.75
!# peak 1406-----------------------------------------------
assi (attr store1 < 7.209 and attr store1 > 7.109)
    ((attr store1 < 7.420 and attr store1 > 7.320)
     and bondedto (attr store1 < 120.399 and attr store1 > 119.399))
6 6 0 peak 1406 volume 10273800 hpm1 119.899 ppm1 7.370 ppm2 7.159
!# peak 1407-----------------------------------------------
assi (attr store1 < 6.938 and attr store1 > 6.838)
    ((attr store1 < 7.412 and attr store1 > 7.312)
     and bondedto (attr store1 < 120.404 and attr store1 > 119.404))
6 6 0 peak 1407 volume 1189955 hpm1 119.904 ppm1 7.362 ppm2 6.888
!# peak 1408-----------------------------------------------
assi (attr store1 < 7.712 and attr store1 > 7.612)
    ((attr store1 < 7.413 and attr store1 > 7.313)
     and bondedto (attr store1 < 120.428 and attr store1 > 119.428))
6 6 0 peak 1408 volume 31436058 hpm1 119.928 ppm1 7.363 ppm2 7.662
!# peak 1409-----------------------------------------------
assi (attr store1 < 2.101 and attr store1 > 2.001)
    ((attr store1 < 8.542 and attr store1 > 8.442)
     and bondedto (attr store1 < 120.425 and attr store1 > 119.425))
6 6 0 peak 1409 volume 11872150 hpm1 119.925 ppm1 8.492 ppm2 2.051
!# peak 1410-----------------------------------------------
assi (attr store1 < 2.485 and attr store1 > 2.385)
    ((attr store1 < 7.531 and attr store1 > 7.431)
     and bondedto (attr store1 < 120.434 and attr store1 > 119.434))
6 6 0 peak 1410 volume 4522922 hpm1 119.934 ppm1 7.481 ppm2 2.435
!# peak 1411-----------------------------------------------
assi (attr store1 < 2.216 and attr store1 > 2.116)
    ((attr store1 < 7.525 and attr store1 > 7.425)
     and bondedto (attr store1 < 120.498 and attr store1 > 119.498))
6 6 0 peak 1411 volume 0.6394138e+07 hpm1 119.998 ppm1 7.475 ppm2 2.166
!# peak 1412-----------------------------------------------
assi (attr store1 < 2.008 and attr store1 > 1.908)
    ((attr store1 < 7.522 and attr store1 > 7.422)
     and bondedto (attr store1 < 120.493 and attr store1 > 119.493))
6 6 0 peak 1412 volume 16406929 hpm1 119.993 ppm1 7.472 ppm2 1.958
!# peak 1413-----------------------------------------------
assi (attr store1 < 1.208 and attr store1 > 1.108)
    ((attr store1 < 7.728 and attr store1 > 7.628)
     and bondedto (attr store1 < 120.495 and attr store1 > 119.495))
6 6 0 peak 1413 volume 7493716 hpm1 119.995 ppm1 7.678 ppm2 1.158
!# peak 1414-----------------------------------------------
assi (attr store1 < 1.497 and attr store1 > 1.397)
    ((attr store1 < 7.729 and attr store1 > 7.629)
     and bondedto (attr store1 < 120.495 and attr store1 > 119.495))
6 6 0 peak 1414 volume 34076648 hpm1 119.995 ppm1 7.679 ppm2 1.447
!# peak 1415-----------------------------------------------
assi (attr store1 < 1.832 and attr store1 > 1.732)
    ((attr store1 < 7.649 and attr store1 > 7.549)
     and bondedto (attr store1 < 120.525 and attr store1 > 119.525))
6 6 0 peak 1415 volume 24097420 hpm1 120.025 ppm1 7.599 ppm2 1.782
!# peak 1416-----------------------------------------------
assi (attr store1 < 2.467 and attr store1 > 2.367)
    ((attr store1 < 7.728 and attr store1 > 7.628)
     and bondedto (attr store1 < 120.480 and attr store1 > 119.480))
6 6 0 peak 1416 volume 3959502 hpm1 119.980 ppm1 7.678 ppm2 2.417
!# peak 1417-----------------------------------------------
assi (attr store1 < 2.205 and attr store1 > 2.105)
    ((attr store1 < 7.669 and attr store1 > 7.569)
     and bondedto (attr store1 < 120.525 and attr store1 > 119.525))
6 6 0 peak 1417 volume 0.3571261e+07 hpm1 120.025 ppm1 7.619 ppm2 2.155
!# peak 1418-----------------------------------------------
assi (attr store1 < 4.246 and attr store1 > 4.146)
    ((attr store1 < 8.538 and attr store1 > 8.438)
     and bondedto (attr store1 < 120.526 and attr store1 > 119.526))
6 6 0 peak 1418 volume 4197417 hpm1 120.026 ppm1 8.488 ppm2 4.196
!# peak 1420-----------------------------------------------
assi (attr store1 < 4.072 and attr store1 > 3.972)
    ((attr store1 < 7.525 and attr store1 > 7.425)
     and bondedto (attr store1 < 120.443 and attr store1 > 119.443))
6 6 0 peak 1420 volume 12898470 hpm1 119.943 ppm1 7.475 ppm2 4.022
!# peak 1421-----------------------------------------------
assi (attr store1 < 4.623 and attr store1 > 4.523)
    ((attr store1 < 7.734 and attr store1 > 7.634)
     and bondedto (attr store1 < 120.497 and attr store1 > 119.497))
6 6 0 peak 1421 volume 11208530 hpm1 119.997 ppm1 7.684 ppm2 4.573
!# peak 1423-----------------------------------------------
assi (attr store1 < 5.125 and attr store1 > 5.025)
    ((attr store1 < 7.522 and attr store1 > 7.422)
     and bondedto (attr store1 < 120.446 and attr store1 > 119.446))
6 6 0 peak 1423 volume 0.3006356e+06 hpm1 119.946 ppm1 7.472 ppm2 5.075
!# peak 1424-----------------------------------------------
assi (attr store1 < 3.234 and attr store1 > 3.134)
    ((attr store1 < 7.651 and attr store1 > 7.551)
     and bondedto (attr store1 < 120.479 and attr store1 > 119.479))
6 6 0 peak 1424 volume 4711228 hpm1 119.979 ppm1 7.601 ppm2 3.184
!# peak 1425-----------------------------------------------
assi (attr store1 < 3.866 and attr store1 > 3.766)
    ((attr store1 < 7.726 and attr store1 > 7.626)
     and bondedto (attr store1 < 120.49 and attr store1 > 119.49))
6 6 0 peak 1425 volume 0.1567261e+07 hpm1 119.99 ppm1 7.676 ppm2 3.816
!# peak 1426-----------------------------------------------
assi (attr store1 < 4.153 and attr store1 > 4.053)
    ((attr store1 < 7.663 and attr store1 > 7.563)
     and bondedto (attr store1 < 120.532 and attr store1 > 119.532))
6 6 0 peak 1426 volume 67674856 hpm1 120.032 ppm1 7.613 ppm2 4.103
!# peak 1427-----------------------------------------------
assi (attr store1 < 4.06 and attr store1 > 3.96)
    ((attr store1 < 7.911 and attr store1 > 7.811)
     and bondedto (attr store1 < 120.657 and attr store1 > 119.657))
6 6 0 peak 1427 volume 78284816 hpm1 120.157 ppm1 7.861 ppm2 4.01
!# peak 1428-----------------------------------------------
assi (attr store1 < 3.704 and attr store1 > 3.604)
    ((attr store1 < 7.913 and attr store1 > 7.813)
     and bondedto (attr store1 < 120.678 and attr store1 > 119.678))
6 6 0 peak 1428 volume 85558400 hpm1 120.178 ppm1 7.863 ppm2 3.654
!# peak 1429-----------------------------------------------
assi (attr store1 < 5.623 and attr store1 > 5.523)
    ((attr store1 < 7.728 and attr store1 > 7.628)
     and bondedto (attr store1 < 120.497 and attr store1 > 119.497))
6 6 0 peak 1429 volume 1476867 hpm1 119.997 ppm1 7.678 ppm2 5.573
!# peak 1430-----------------------------------------------
assi (attr store1 < 5.619 and attr store1 > 5.519)
    ((attr store1 < 7.523 and attr store1 > 7.423)
     and bondedto (attr store1 < 120.481 and attr store1 > 119.481))
6 6 0 peak 1430 volume 11353120 hpm1 119.981 ppm1 7.473 ppm2 5.569
!# peak 1431-----------------------------------------------
assi (attr store1 < 7.152 and attr store1 > 7.052)
    ((attr store1 < 8.540 and attr store1 > 8.440)
     and bondedto (attr store1 < 120.486 and attr store1 > 119.486))
6 6 0 peak 1431 volume 5038007 hpm1 119.986 ppm1 8.490 ppm2 7.102
!# peak 1433-----------------------------------------------
assi (attr store1 < 4.587 and attr store1 > 4.487)
    ((attr store1 < 7.819 and attr store1 > 7.719)
     and bondedto (attr store1 < 120.732 and attr store1 > 119.732))
6 6 0 peak 1433 volume 12370190 hpm1 120.232 ppm1 7.769 ppm2 4.537
!# peak 1434-----------------------------------------------
assi (attr store1 < 4.493 and attr store1 > 4.393)
    ((attr store1 < 8.040 and attr store1 > 7.940)
     and bondedto (attr store1 < 120.600 and attr store1 > 119.600))
6 6 0 peak 1434 volume 40948880 hpm1 120.100 ppm1 7.990 ppm2 4.443
!# peak 1435-----------------------------------------------
assi (attr store1 < 3.371 and attr store1 > 3.271)
    ((attr store1 < 7.727 and attr store1 > 7.627)
     and bondedto (attr store1 < 120.804 and attr store1 > 119.804))
6 6 0 peak 1435 volume 59734856 hpm1 120.304 ppm1 7.677 ppm2 3.321
!# peak 1436-----------------------------------------------
assi (attr store1 < 4.284 and attr store1 > 4.184)
    ((attr store1 < 8.395 and attr store1 > 8.295)
     and bondedto (attr store1 < 120.804 and attr store1 > 119.804))
6 6 0 peak 1436 volume 0.3579704e+07 hpm1 120.304 ppm1 8.345 ppm2 4.234
!# peak 1437-----------------------------------------------
assi (attr store1 < 7.208 and attr store1 > 7.108)
    ((attr store1 < 7.963 and attr store1 > 7.863)
     and bondedto (attr store1 < 120.820 and attr store1 > 119.820))
6 6 0 peak 1437 volume 22507640 hpm1 120.320 ppm1 7.913 ppm2 7.158
!# peak 1438-----------------------------------------------
assi (attr store1 < 7.024 and attr store1 > 6.924)
    ((attr store1 < 7.971 and attr store1 > 7.871)
     and bondedto (attr store1 < 120.798 and attr store1 > 119.798))
6 6 0 peak 1438 volume 5600543 hpm1 120.298 ppm1 7.921 ppm2 6.974
!# peak 1439-----------------------------------------------
assi (attr store1 < 8.246 and attr store1 > 8.146)
    ((attr store1 < 8.064 and attr store1 > 7.964)
     and bondedto (attr store1 < 120.721 and attr store1 > 119.721))
6 6 0 peak 1439 volume 105022600 hpm1 120.221 ppm1 8.014 ppm2 8.196
!# peak 1440-----------------------------------------------
assi (attr store1 < 2.651 and attr store1 > 2.551)
    ((attr store1 < 7.087 and attr store1 > 6.987)
     and bondedto (attr store1 < 120.951 and attr store1 > 119.951))
6 6 0 peak 1440 volume 16039839 hpm1 120.451 ppm1 7.037 ppm2 2.601
!# peak 1441-----------------------------------------------
assi (attr store1 < 2.388 and attr store1 > 2.288)
    ((attr store1 < 7.075 and attr store1 > 6.975)
     and bondedto (attr store1 < 120.928 and attr store1 > 119.928))
6 6 0 peak 1441 volume 1944612 hpm1 120.428 ppm1 7.025 ppm2 2.338
!# peak 1442-----------------------------------------------
assi (attr store1 < 0.589 and attr store1 > 0.489)
    ((attr store1 < 7.365 and attr store1 > 7.265)
     and bondedto (attr store1 < 120.964 and attr store1 > 119.964))
6 6 0 peak 1442 volume 2063279 hpm1 120.464 ppm1 7.315 ppm2 0.539
!# peak 1443-----------------------------------------------
assi (attr store1 < 1.182 and attr store1 > 1.082)
    ((attr store1 < 7.969 and attr store1 > 7.869)
     and bondedto (attr store1 < 120.911 and attr store1 > 119.911))
6 6 0 peak 1443 volume 11958480 hpm1 120.411 ppm1 7.919 ppm2 1.132
!# peak 1444-----------------------------------------------
assi (attr store1 < 1.485 and attr store1 > 1.385)
    ((attr store1 < 7.964 and attr store1 > 7.864)
     and bondedto (attr store1 < 120.888 and attr store1 > 119.888))
6 6 0 peak 1444 volume 3673945 hpm1 120.388 ppm1 7.914 ppm2 1.435
!# peak 1445-----------------------------------------------
assi (attr store1 < 2.39 and attr store1 > 2.29)
    ((attr store1 < 7.968 and attr store1 > 7.868)
     and bondedto (attr store1 < 120.908 and attr store1 > 119.908))
6 6 0 peak 1445 volume 0.3730797e+07 hpm1 120.408 ppm1 7.918 ppm2 2.34
!# peak 1446-----------------------------------------------
assi (attr store1 < 1.758 and attr store1 > 1.658)
    ((attr store1 < 7.818 and attr store1 > 7.718)
     and bondedto (attr store1 < 120.830 and attr store1 > 119.830))
6 6 0 peak 1446 volume 25953748 hpm1 120.330 ppm1 7.768 ppm2 1.708
!# peak 1447-----------------------------------------------
assi (attr store1 < 1.304 and attr store1 > 1.204)
    ((attr store1 < 7.814 and attr store1 > 7.714)
     and bondedto (attr store1 < 120.852 and attr store1 > 119.852))
6 6 0 peak 1447 volume 6877027 hpm1 120.352 ppm1 7.764 ppm2 1.254
!# peak 1448-----------------------------------------------
assi (attr store1 < 0.942 and attr store1 > 0.842)
    ((attr store1 < 7.815 and attr store1 > 7.715)
     and bondedto (attr store1 < 120.857 and attr store1 > 119.857))
6 6 0 peak 1448 volume 13042390 hpm1 120.357 ppm1 7.765 ppm2 0.892
!# peak 1449-----------------------------------------------
assi (attr store1 < 0.408 and attr store1 > 0.308)
    ((attr store1 < 7.823 and attr store1 > 7.723)
     and bondedto (attr store1 < 120.834 and attr store1 > 119.834))
6 6 0 peak 1449 volume 1591516 hpm1 120.334 ppm1 7.773 ppm2 0.358
!# peak 1450-----------------------------------------------
assi (attr store1 < 0.667 and attr store1 > 0.567)
    ((attr store1 < 7.970 and attr store1 > 7.870)
     and bondedto (attr store1 < 120.915 and attr store1 > 119.915))
6 6 0 peak 1450 volume 20815410 hpm1 120.415 ppm1 7.920 ppm2 0.617
!# peak 1451-----------------------------------------------
assi (attr store1 < 0.183 and attr store1 > 0.083)
    ((attr store1 < 7.931 and attr store1 > 7.831)
     and bondedto (attr store1 < 120.915 and attr store1 > 119.915))
6 6 0 peak 1451 volume 0.2617297e+07 hpm1 120.415 ppm1 7.881 ppm2 0.133
!# peak 1452-----------------------------------------------
assi (attr store1 < 0.316 and attr store1 > 0.216)
    ((attr store1 < 7.941 and attr store1 > 7.841)
     and bondedto (attr store1 < 120.915 and attr store1 > 119.915))
6 6 0 peak 1452 volume 4224370 hpm1 120.415 ppm1 7.891 ppm2 0.266
!# peak 1453-----------------------------------------------
assi (attr store1 < 1.177 and attr store1 > 1.077)
    ((attr store1 < 7.361 and attr store1 > 7.261)
     and bondedto (attr store1 < 120.985 and attr store1 > 119.985))
6 6 0 peak 1453 volume 1471588 hpm1 120.485 ppm1 7.311 ppm2 1.127
!# peak 1455-----------------------------------------------
assi (attr store1 < 4.919 and attr store1 > 4.819)
    ((attr store1 < 7.971 and attr store1 > 7.871)
     and bondedto (attr store1 < 120.909 and attr store1 > 119.909))
6 6 0 peak 1455 volume 11050610 hpm1 120.409 ppm1 7.921 ppm2 4.869
!# peak 1456-----------------------------------------------
assi (attr store1 < 8.009 and attr store1 > 7.909)
    ((attr store1 < 7.371 and attr store1 > 7.271)
     and bondedto (attr store1 < 120.914 and attr store1 > 119.914))
6 6 0 peak 1456 volume 35917300 hpm1 120.414 ppm1 7.321 ppm2 7.959
!# peak 1457-----------------------------------------------
assi (attr store1 < 8.106 and attr store1 > 8.006)
    ((attr store1 < 7.079 and attr store1 > 6.979)
     and bondedto (attr store1 < 120.950 and attr store1 > 119.950))
6 6 0 peak 1457 volume 33974592 hpm1 120.450 ppm1 7.029 ppm2 8.056
!# peak 1458-----------------------------------------------
assi (attr store1 < 1.04 and attr store1 > 0.94)
    ((attr store1 < 7.355 and attr store1 > 7.255)
     and bondedto (attr store1 < 121.109 and attr store1 > 120.109))
6 6 0 peak 1458 volume 1378787 hpm1 120.609 ppm1 7.305 ppm2 0.99
!# peak 1459-----------------------------------------------
assi (attr store1 < 0.819 and attr store1 > 0.719)
    ((attr store1 < 7.367 and attr store1 > 7.267)
     and bondedto (attr store1 < 121.124 and attr store1 > 120.124))
6 6 0 peak 1459 volume 3380507 hpm1 120.624 ppm1 7.317 ppm2 0.769
!# peak 1460-----------------------------------------------
assi (attr store1 < 2.744 and attr store1 > 2.644)
    ((attr store1 < 7.367 and attr store1 > 7.267)
     and bondedto (attr store1 < 121.123 and attr store1 > 120.123))
6 6 0 peak 1460 volume 3690737 hpm1 120.623 ppm1 7.317 ppm2 2.694
!# peak 1461-----------------------------------------------
assi (attr store1 < 2.616 and attr store1 > 2.516)
    ((attr store1 < 7.935 and attr store1 > 7.835)
     and bondedto (attr store1 < 121.071 and attr store1 > 120.071))
6 6 0 peak 1461 volume 6606483 hpm1 120.571 ppm1 7.885 ppm2 2.566
!# peak 1462-----------------------------------------------
assi (attr store1 < 0.864 and attr store1 > 0.764)
    ((attr store1 < 7.971 and attr store1 > 7.871)
     and bondedto (attr store1 < 121.075 and attr store1 > 120.075))
6 6 0 peak 1462 volume 24995040 hpm1 120.575 ppm1 7.921 ppm2 0.814
!# peak 1463-----------------------------------------------
assi (attr store1 < 2.031 and attr store1 > 1.931)
    ((attr store1 < 8.413 and attr store1 > 8.313)
     and bondedto (attr store1 < 121.075 and attr store1 > 120.075))
6 6 0 peak 1463 volume 4202057 hpm1 120.575 ppm1 8.363 ppm2 1.981
!# peak 1465-----------------------------------------------
assi (attr store1 < 3.017 and attr store1 > 2.917)
    ((attr store1 < 7.089 and attr store1 > 6.989)
     and bondedto (attr store1 < 121.093 and attr store1 > 120.093))
6 6 0 peak 1465 volume 1150658 hpm1 120.593 ppm1 7.039 ppm2 2.967
!# peak 1466-----------------------------------------------
assi (attr store1 < 6.838 and attr store1 > 6.738)
    ((attr store1 < 7.939 and attr store1 > 7.839)
     and bondedto (attr store1 < 121.085 and attr store1 > 120.085))
6 6 0 peak 1466 volume 0.7845573e+06 hpm1 120.585 ppm1 7.889 ppm2 6.788
!# peak 1468-----------------------------------------------
assi (attr store1 < 2.619 and attr store1 > 2.519)
    ((attr store1 < 7.516 and attr store1 > 7.416)
     and bondedto (attr store1 < 121.661 and attr store1 > 120.661))
6 6 0 peak 1468 volume 6705984 hpm1 121.161 ppm1 7.466 ppm2 2.569
!# peak 1469-----------------------------------------------
assi (attr store1 < 2.397 and attr store1 > 2.297)
    ((attr store1 < 7.513 and attr store1 > 7.413)
     and bondedto (attr store1 < 121.666 and attr store1 > 120.666))
6 6 0 peak 1469 volume 25592110 hpm1 121.166 ppm1 7.463 ppm2 2.347
!# peak 1470-----------------------------------------------
assi (attr store1 < 2.211 and attr store1 > 2.111)
    ((attr store1 < 7.513 and attr store1 > 7.413)
     and bondedto (attr store1 < 121.664 and attr store1 > 120.664))
6 6 0 peak 1470 volume 18534130 hpm1 121.164 ppm1 7.463 ppm2 2.161
!# peak 1471-----------------------------------------------
assi (attr store1 < 2.036 and attr store1 > 1.936)
    ((attr store1 < 7.514 and attr store1 > 7.414)
     and bondedto (attr store1 < 121.652 and attr store1 > 120.652))
6 6 0 peak 1471 volume 1853375 hpm1 121.152 ppm1 7.464 ppm2 1.986
!# peak 1472-----------------------------------------------
assi (attr store1 < 1.839 and attr store1 > 1.739)
    ((attr store1 < 7.515 and attr store1 > 7.415)
     and bondedto (attr store1 < 121.608 and attr store1 > 120.608))
6 6 0 peak 1472 volume 0.8647328e+06 hpm1 121.108 ppm1 7.465 ppm2 1.789
!# peak 1473-----------------------------------------------
assi (attr store1 < 7.213 and attr store1 > 7.113)
    ((attr store1 < 7.511 and attr store1 > 7.411)
     and bondedto (attr store1 < 121.634 and attr store1 > 120.634))
6 6 0 peak 1473 volume 0.6482508e+06 hpm1 121.134 ppm1 7.461 ppm2 7.163
!# peak 1474-----------------------------------------------
assi (attr store1 < 6.971 and attr store1 > 6.871)
    ((attr store1 < 7.513 and attr store1 > 7.413)
     and bondedto (attr store1 < 121.659 and attr store1 > 120.659))
6 6 0 peak 1474 volume 4237873 hpm1 121.159 ppm1 7.463 ppm2 6.921
!# peak 1475-----------------------------------------------
assi (attr store1 < 6.771 and attr store1 > 6.671)
    ((attr store1 < 7.519 and attr store1 > 7.419)
     and bondedto (attr store1 < 121.678 and attr store1 > 120.678))
6 6 0 peak 1475 volume 1956165 hpm1 121.178 ppm1 7.469 ppm2 6.721
!# peak 1476-----------------------------------------------
assi (attr store1 < 3.071 and attr store1 > 2.971)
    ((attr store1 < 7.824 and attr store1 > 7.724)
     and bondedto (attr store1 < 121.814 and attr store1 > 120.814))
6 6 0 peak 1476 volume 3164390 hpm1 121.314 ppm1 7.774 ppm2 3.021
!# peak 1477-----------------------------------------------
assi (attr store1 < 2.795 and attr store1 > 2.695)
    ((attr store1 < 7.829 and attr store1 > 7.729)
     and bondedto (attr store1 < 121.810 and attr store1 > 120.810))
6 6 0 peak 1477 volume 4768540 hpm1 121.310 ppm1 7.779 ppm2 2.745
!# peak 1478-----------------------------------------------
assi (attr store1 < 2.387 and attr store1 > 2.287)
    ((attr store1 < 7.827 and attr store1 > 7.727)
     and bondedto (attr store1 < 121.821 and attr store1 > 120.821))
6 6 0 peak 1478 volume 3875567 hpm1 121.321 ppm1 7.777 ppm2 2.337
!# peak 1480-----------------------------------------------
assi (attr store1 < 4.093 and attr store1 > 3.993)
    ((attr store1 < 7.829 and attr store1 > 7.729)
     and bondedto (attr store1 < 121.822 and attr store1 > 120.822))
6 6 0 peak 1480 volume 12345140 hpm1 121.322 ppm1 7.779 ppm2 4.043
!# peak 1481-----------------------------------------------
assi (attr store1 < 5.136 and attr store1 > 5.036)
    ((attr store1 < 7.822 and attr store1 > 7.722)
     and bondedto (attr store1 < 121.784 and attr store1 > 120.784))
6 6 0 peak 1481 volume 1462011 hpm1 121.284 ppm1 7.772 ppm2 5.086
!# peak 1484-----------------------------------------------
assi (attr store1 < 8.108 and attr store1 > 8.008)
    ((attr store1 < 9.230 and attr store1 > 9.130)
     and bondedto (attr store1 < 122.016 and attr store1 > 121.016))
6 6 0 peak 1484 volume 772450 hpm1 121.516 ppm1 9.180 ppm2 8.058
!# peak 1485-----------------------------------------------
assi (attr store1 < 2.484 and attr store1 > 2.384)
    ((attr store1 < 8.306 and attr store1 > 8.206)
     and bondedto (attr store1 < 122.204 and attr store1 > 121.204))
6 6 0 peak 1485 volume 2849524 hpm1 121.704 ppm1 8.256 ppm2 2.434
!# peak 1486-----------------------------------------------
assi (attr store1 < 2.158 and attr store1 > 2.058)
    ((attr store1 < 8.321 and attr store1 > 8.221)
     and bondedto (attr store1 < 122.181 and attr store1 > 121.181))
6 6 0 peak 1486 volume 6769413 hpm1 121.681 ppm1 8.271 ppm2 2.108
!# peak 1487-----------------------------------------------
assi (attr store1 < 0.415 and attr store1 > 0.315)
    ((attr store1 < 8.320 and attr store1 > 8.220)
     and bondedto (attr store1 < 122.204 and attr store1 > 121.204))
6 6 0 peak 1487 volume 27779620 hpm1 121.704 ppm1 8.270 ppm2 0.365
!# peak 1488-----------------------------------------------
assi (attr store1 < 0.188 and attr store1 > 0.088)
    ((attr store1 < 8.320 and attr store1 > 8.220)
     and bondedto (attr store1 < 122.201 and attr store1 > 121.201))
6 6 0 peak 1488 volume 20744690 hpm1 121.701 ppm1 8.270 ppm2 0.138
!# peak 1489-----------------------------------------------
assi (attr store1 < 3.241 and attr store1 > 3.141)
    ((attr store1 < 7.881 and attr store1 > 7.781)
     and bondedto (attr store1 < 122.202 and attr store1 > 121.202))
6 6 0 peak 1489 volume 3602671 hpm1 121.702 ppm1 7.831 ppm2 3.191
!# peak 1490-----------------------------------------------
assi (attr store1 < 4.541 and attr store1 > 4.441)
    ((attr store1 < 8.331 and attr store1 > 8.231)
     and bondedto (attr store1 < 122.223 and attr store1 > 121.223))
6 6 0 peak 1490 volume 4653389 hpm1 121.723 ppm1 8.281 ppm2 4.491
!# peak 1491-----------------------------------------------
assi (attr store1 < 6.573 and attr store1 > 6.473)
    ((attr store1 < 8.319 and attr store1 > 8.219)
     and bondedto (attr store1 < 122.190 and attr store1 > 121.190))
6 6 0 peak 1491 volume 1062358 hpm1 121.690 ppm1 8.269 ppm2 6.523
!# peak 1492-----------------------------------------------
assi (attr store1 < 9.098 and attr store1 > 8.998)
    ((attr store1 < 8.319 and attr store1 > 8.219)
     and bondedto (attr store1 < 122.216 and attr store1 > 121.216))
6 6 0 peak 1492 volume 1840698 hpm1 121.716 ppm1 8.269 ppm2 9.048
!# peak 1493-----------------------------------------------
assi (attr store1 < 8.545 and attr store1 > 8.445)
    ((attr store1 < 8.321 and attr store1 > 8.221)
     and bondedto (attr store1 < 122.208 and attr store1 > 121.208))
6 6 0 peak 1493 volume 33557252 hpm1 121.708 ppm1 8.271 ppm2 8.495
!# peak 1494-----------------------------------------------
assi (attr store1 < 1.029 and attr store1 > 0.929)
    ((attr store1 < 9.046 and attr store1 > 8.946)
     and bondedto (attr store1 < 122.693 and attr store1 > 121.693))
6 6 0 peak 1494 volume 13548960 hpm1 122.193 ppm1 8.996 ppm2 0.979
!# peak 1495-----------------------------------------------
assi (attr store1 < 1.49 and attr store1 > 1.39)
    ((attr store1 < 9.048 and attr store1 > 8.948)
     and bondedto (attr store1 < 122.734 and attr store1 > 121.734))
6 6 0 peak 1495 volume 11171930 hpm1 122.234 ppm1 8.998 ppm2 1.44
!# peak 1496-----------------------------------------------
assi (attr store1 < 2.155 and attr store1 > 2.055)
    ((attr store1 < 9.047 and attr store1 > 8.947)
     and bondedto (attr store1 < 122.714 and attr store1 > 121.714))
6 6 0 peak 1496 volume 38839348 hpm1 122.214 ppm1 8.997 ppm2 2.105
!# peak 1497-----------------------------------------------
assi (attr store1 < 0.758 and attr store1 > 0.658)
    ((attr store1 < 9.039 and attr store1 > 8.939)
     and bondedto (attr store1 < 122.693 and attr store1 > 121.693))
6 6 0 peak 1497 volume 1624538 hpm1 122.193 ppm1 8.989 ppm2 0.708
!# peak 1498-----------------------------------------------
assi (attr store1 < 0.588 and attr store1 > 0.488)
    ((attr store1 < 9.050 and attr store1 > 8.950)
     and bondedto (attr store1 < 122.734 and attr store1 > 121.734))
6 6 0 peak 1498 volume 2235400 hpm1 122.234 ppm1 9.000 ppm2 0.538
!# peak 1499-----------------------------------------------
assi (attr store1 < 0.406 and attr store1 > 0.306)
    ((attr store1 < 9.043 and attr store1 > 8.943)
     and bondedto (attr store1 < 122.714 and attr store1 > 121.714))
6 6 0 peak 1499 volume 1437916 hpm1 122.214 ppm1 8.993 ppm2 0.356
!# peak 1500-----------------------------------------------
assi (attr store1 < 3.655 and attr store1 > 3.555)
    ((attr store1 < 9.046 and attr store1 > 8.946)
     and bondedto (attr store1 < 122.717 and attr store1 > 121.717))
6 6 0 peak 1500 volume 5772670 hpm1 122.217 ppm1 8.996 ppm2 3.605
!# peak 1501-----------------------------------------------
assi (attr store1 < 3.425 and attr store1 > 3.325)
    ((attr store1 < 9.048 and attr store1 > 8.948)
     and bondedto (attr store1 < 122.692 and attr store1 > 121.692))
6 6 0 peak 1501 volume 1130794 hpm1 122.192 ppm1 8.998 ppm2 3.375
!# peak 1502-----------------------------------------------
assi (attr store1 < 8.012 and attr store1 > 7.912)
    ((attr store1 < 9.045 and attr store1 > 8.945)
     and bondedto (attr store1 < 122.721 and attr store1 > 121.721))
6 6 0 peak 1502 volume 25468590 hpm1 122.221 ppm1 8.995 ppm2 7.962
!# peak 1505-----------------------------------------------
assi (attr store1 < 2.617 and attr store1 > 2.517)
    ((attr store1 < 7.761 and attr store1 > 7.661)
     and bondedto (attr store1 < 123.133 and attr store1 > 122.133))
6 6 0 peak 1505 volume 2903545 hpm1 122.633 ppm1 7.711 ppm2 2.567
!# peak 1506-----------------------------------------------
assi (attr store1 < 2.428 and attr store1 > 2.328)
    ((attr store1 < 7.754 and attr store1 > 7.654)
     and bondedto (attr store1 < 123.133 and attr store1 > 122.133))
6 6 0 peak 1506 volume 23127730 hpm1 122.633 ppm1 7.704 ppm2 2.378
!# peak 1507-----------------------------------------------
assi (attr store1 < 2.21 and attr store1 > 2.11)
    ((attr store1 < 7.754 and attr store1 > 7.654)
     and bondedto (attr store1 < 123.152 and attr store1 > 122.152))
6 6 0 peak 1507 volume 17589120 hpm1 122.652 ppm1 7.704 ppm2 2.16
!# peak 1508-----------------------------------------------
assi (attr store1 < 2.617 and attr store1 > 2.517)
    ((attr store1 < 8.260 and attr store1 > 8.160)
     and bondedto (attr store1 < 123.116 and attr store1 > 122.116))
6 6 0 peak 1508 volume 6926812 hpm1 122.616 ppm1 8.210 ppm2 2.567
!# peak 1509-----------------------------------------------
assi (attr store1 < 2.387 and attr store1 > 2.287)
    ((attr store1 < 8.260 and attr store1 > 8.160)
     and bondedto (attr store1 < 123.112 and attr store1 > 122.112))
6 6 0 peak 1509 volume 10251520 hpm1 122.612 ppm1 8.210 ppm2 2.337
!# peak 1510-----------------------------------------------
assi (attr store1 < 2.071 and attr store1 > 1.971)
    ((attr store1 < 8.246 and attr store1 > 8.146)
     and bondedto (attr store1 < 123.149 and attr store1 > 122.149))
6 6 0 peak 1510 volume 5592981 hpm1 122.649 ppm1 8.196 ppm2 2.021
!# peak 1511-----------------------------------------------
assi (attr store1 < 1.67 and attr store1 > 1.57)
    ((attr store1 < 8.260 and attr store1 > 8.160)
     and bondedto (attr store1 < 123.077 and attr store1 > 122.077))
6 6 0 peak 1511 volume 5231229 hpm1 122.577 ppm1 8.210 ppm2 1.62
!# peak 1512-----------------------------------------------
assi (attr store1 < 1.489 and attr store1 > 1.389)
    ((attr store1 < 8.259 and attr store1 > 8.159)
     and bondedto (attr store1 < 123.116 and attr store1 > 122.116))
6 6 0 peak 1512 volume 41144688 hpm1 122.616 ppm1 8.209 ppm2 1.439
!# peak 1513-----------------------------------------------
assi (attr store1 < 0.324 and attr store1 > 0.224)
    ((attr store1 < 8.595 and attr store1 > 8.495)
     and bondedto (attr store1 < 123.140 and attr store1 > 122.140))
6 6 0 peak 1513 volume 1949264 hpm1 122.640 ppm1 8.545 ppm2 0.274
!# peak 1516-----------------------------------------------
assi (attr store1 < 4.371 and attr store1 > 4.271)
    ((attr store1 < 7.752 and attr store1 > 7.652)
     and bondedto (attr store1 < 123.121 and attr store1 > 122.121))
6 6 0 peak 1516 volume 11153810 hpm1 122.621 ppm1 7.702 ppm2 4.321
!# peak 1517-----------------------------------------------
assi (attr store1 < 4.142 and attr store1 > 4.042)
    ((attr store1 < 7.754 and attr store1 > 7.654)
     and bondedto (attr store1 < 123.124 and attr store1 > 122.124))
6 6 0 peak 1517 volume 8923265 hpm1 122.624 ppm1 7.704 ppm2 4.092
!# peak 1518-----------------------------------------------
assi (attr store1 < 3.421 and attr store1 > 3.321)
    ((attr store1 < 7.754 and attr store1 > 7.654)
     and bondedto (attr store1 < 123.146 and attr store1 > 122.146))
6 6 0 peak 1518 volume 0.2830195e+07 hpm1 122.646 ppm1 7.704 ppm2 3.371
!# peak 1520-----------------------------------------------
assi (attr store1 < 4.283 and attr store1 > 4.183)
    ((attr store1 < 8.246 and attr store1 > 8.146)
     and bondedto (attr store1 < 123.105 and attr store1 > 122.105))
6 6 0 peak 1520 volume 8202227 hpm1 122.605 ppm1 8.196 ppm2 4.233
!# peak 1521-----------------------------------------------
assi (attr store1 < 4.017 and attr store1 > 3.917)
    ((attr store1 < 8.257 and attr store1 > 8.157)
     and bondedto (attr store1 < 123.108 and attr store1 > 122.108))
6 6 0 peak 1521 volume 9064230 hpm1 122.608 ppm1 8.207 ppm2 3.967
!# peak 1522-----------------------------------------------
assi (attr store1 < 3.691 and attr store1 > 3.591)
    ((attr store1 < 8.260 and attr store1 > 8.160)
     and bondedto (attr store1 < 123.113 and attr store1 > 122.113))
6 6 0 peak 1522 volume 13444060 hpm1 122.613 ppm1 8.210 ppm2 3.641
!# peak 1523-----------------------------------------------
assi (attr store1 < 8.322 and attr store1 > 8.222)
    ((attr store1 < 8.121 and attr store1 > 8.021)
     and bondedto (attr store1 < 123.188 and attr store1 > 122.188))
6 6 0 peak 1523 volume 14287271 hpm1 122.688 ppm1 8.071 ppm2 8.272
!# peak 1527-----------------------------------------------
assi (attr store1 < 7.934 and attr store1 > 7.834)
    ((attr store1 < 8.258 and attr store1 > 8.158)
     and bondedto (attr store1 < 123.110 and attr store1 > 122.110))
6 6 0 peak 1527 volume 1025192 hpm1 122.610 ppm1 8.208 ppm2 7.884
!# peak 1528-----------------------------------------------
assi (attr store1 < 1.53 and attr store1 > 1.43)
    ((attr store1 < 8.143 and attr store1 > 8.043)
     and bondedto (attr store1 < 123.338 and attr store1 > 122.338))
6 6 0 peak 1528 volume 33404092 hpm1 122.838 ppm1 8.093 ppm2 1.48
!# peak 1529-----------------------------------------------
assi (attr store1 < 1.444 and attr store1 > 1.344)
    ((attr store1 < 8.125 and attr store1 > 8.025)
     and bondedto (attr store1 < 123.349 and attr store1 > 122.349))
6 6 0 peak 1529 volume 13906050 hpm1 122.849 ppm1 8.075 ppm2 1.394
!# peak 1530-----------------------------------------------
assi (attr store1 < 7.117 and attr store1 > 7.017)
    ((attr store1 < 8.138 and attr store1 > 8.038)
     and bondedto (attr store1 < 123.333 and attr store1 > 122.333))
6 6 0 peak 1530 volume 7583666 hpm1 122.833 ppm1 8.088 ppm2 7.067
!# peak 1531-----------------------------------------------
assi (attr store1 < 6.58 and attr store1 > 6.48)
    ((attr store1 < 8.117 and attr store1 > 8.017)
     and bondedto (attr store1 < 123.385 and attr store1 > 122.385))
6 6 0 peak 1531 volume 3569243 hpm1 122.885 ppm1 8.067 ppm2 6.53
!# peak 1533-----------------------------------------------
assi (attr store1 < 1.543 and attr store1 > 1.443)
    ((attr store1 < 7.820 and attr store1 > 7.720)
     and bondedto (attr store1 < 123.856 and attr store1 > 122.856))
6 6 0 peak 1533 volume 23030080 hpm1 123.356 ppm1 7.770 ppm2 1.493
!# peak 1534-----------------------------------------------
assi (attr store1 < 7.644 and attr store1 > 7.544)
    ((attr store1 < 7.820 and attr store1 > 7.720)
     and bondedto (attr store1 < 123.837 and attr store1 > 122.837))
6 6 0 peak 1534 volume 1440538 hpm1 123.337 ppm1 7.770 ppm2 7.594
!# peak 1535-----------------------------------------------
assi (attr store1 < 1.033 and attr store1 > 0.933)
    ((attr store1 < 9.091 and attr store1 > 8.991)
     and bondedto (attr store1 < 124.260 and attr store1 > 123.260))
6 6 0 peak 1535 volume 7956792 hpm1 123.760 ppm1 9.041 ppm2 0.983
!# peak 1537-----------------------------------------------
assi (attr store1 < 0.676 and attr store1 > 0.576)
    ((attr store1 < 9.089 and attr store1 > 8.989)
     and bondedto (attr store1 < 124.259 and attr store1 > 123.259))
6 6 0 peak 1537 volume 3986304 hpm1 123.759 ppm1 9.039 ppm2 0.626
!# peak 1538-----------------------------------------------
assi (attr store1 < 3.73 and attr store1 > 3.63)
    ((attr store1 < 9.090 and attr store1 > 8.990)
     and bondedto (attr store1 < 124.260 and attr store1 > 123.260))
6 6 0 peak 1538 volume 18960550 hpm1 123.760 ppm1 9.040 ppm2 3.68
!# peak 1539-----------------------------------------------
assi (attr store1 < 7.348 and attr store1 > 7.248)
    ((attr store1 < 9.090 and attr store1 > 8.990)
     and bondedto (attr store1 < 124.261 and attr store1 > 123.261))
6 6 0 peak 1539 volume 17303160 hpm1 123.761 ppm1 9.040 ppm2 7.298
!# peak 1540-----------------------------------------------
assi (attr store1 < 8.557 and attr store1 > 8.457)
    ((attr store1 < 9.090 and attr store1 > 8.990)
     and bondedto (attr store1 < 124.265 and attr store1 > 123.265))
6 6 0 peak 1540 volume 15039881 hpm1 123.765 ppm1 9.040 ppm2 8.507
!# peak 1541-----------------------------------------------
assi (attr store1 < 8.359 and attr store1 > 8.259)
    ((attr store1 < 9.085 and attr store1 > 8.985)
     and bondedto (attr store1 < 124.224 and attr store1 > 123.224))
6 6 0 peak 1541 volume 1052241 hpm1 123.724 ppm1 9.035 ppm2 8.309
!# peak 1542-----------------------------------------------
assi (attr store1 < 2.324 and attr store1 > 2.224)
    ((attr store1 < 7.620 and attr store1 > 7.520)
     and bondedto (attr store1 < 124.386 and attr store1 > 123.386))
6 6 0 peak 1542 volume 30574090 hpm1 123.886 ppm1 7.570 ppm2 2.274
!# peak 1543-----------------------------------------------
assi (attr store1 < 1.768 and attr store1 > 1.668)
    ((attr store1 < 7.631 and attr store1 > 7.531)
     and bondedto (attr store1 < 124.403 and attr store1 > 123.403))
6 6 0 peak 1543 volume 2918339 hpm1 123.903 ppm1 7.581 ppm2 1.718
!# peak 1544-----------------------------------------------
assi (attr store1 < 2.795 and attr store1 > 2.695)
    ((attr store1 < 7.628 and attr store1 > 7.528)
     and bondedto (attr store1 < 124.381 and attr store1 > 123.381))
6 6 0 peak 1544 volume 12687090 hpm1 123.881 ppm1 7.578 ppm2 2.745
!# peak 1545-----------------------------------------------
assi (attr store1 < 2.165 and attr store1 > 2.065)
    ((attr store1 < 7.628 and attr store1 > 7.528)
     and bondedto (attr store1 < 124.386 and attr store1 > 123.386))
6 6 0 peak 1545 volume 31362752 hpm1 123.886 ppm1 7.578 ppm2 2.115
!# peak 1546-----------------------------------------------
assi (attr store1 < 4.516 and attr store1 > 4.416)
    ((attr store1 < 7.627 and attr store1 > 7.527)
     and bondedto (attr store1 < 124.456 and attr store1 > 123.456))
6 6 0 peak 1546 volume 5798559 hpm1 123.956 ppm1 7.577 ppm2 4.466
!# peak 1547-----------------------------------------------
assi (attr store1 < 4.236 and attr store1 > 4.136)
    ((attr store1 < 7.618 and attr store1 > 7.518)
     and bondedto (attr store1 < 124.456 and attr store1 > 123.456))
6 6 0 peak 1547 volume 1483267 hpm1 123.956 ppm1 7.568 ppm2 4.186
!# peak 1548-----------------------------------------------
assi (attr store1 < 2.258 and attr store1 > 2.158)
    ((attr store1 < 8.206 and attr store1 > 8.106)
     and bondedto (attr store1 < 124.790 and attr store1 > 123.790))
6 6 0 peak 1548 volume 0.2623225e+07 hpm1 124.290 ppm1 8.156 ppm2 2.208
!# peak 1550-----------------------------------------------
assi (attr store1 < 4.19 and attr store1 > 4.09)
    ((attr store1 < 8.448 and attr store1 > 8.348)
     and bondedto (attr store1 < 124.798 and attr store1 > 123.798))
6 6 0 peak 1550 volume 5688498 hpm1 124.298 ppm1 8.398 ppm2 4.14
!# peak 1551-----------------------------------------------
assi (attr store1 < 4.014 and attr store1 > 3.914)
    ((attr store1 < 8.449 and attr store1 > 8.349)
     and bondedto (attr store1 < 124.828 and attr store1 > 123.828))
6 6 0 peak 1551 volume 4217624 hpm1 124.328 ppm1 8.399 ppm2 3.964
!# peak 1552-----------------------------------------------
assi (attr store1 < 4.592 and attr store1 > 4.492)
    ((attr store1 < 8.206 and attr store1 > 8.106)
     and bondedto (attr store1 < 124.791 and attr store1 > 123.791))
6 6 0 peak 1552 volume 8694852 hpm1 124.291 ppm1 8.156 ppm2 4.542
!# peak 1553-----------------------------------------------
assi (attr store1 < 3.659 and attr store1 > 3.559)
    ((attr store1 < 8.209 and attr store1 > 8.109)
     and bondedto (attr store1 < 124.827 and attr store1 > 123.827))
6 6 0 peak 1553 volume 1799074 hpm1 124.327 ppm1 8.159 ppm2 3.609
!# peak 1554-----------------------------------------------
assi (attr store1 < 7.2 and attr store1 > 7.1)
    ((attr store1 < 8.450 and attr store1 > 8.350)
     and bondedto (attr store1 < 124.804 and attr store1 > 123.804))
6 6 0 peak 1554 volume 0.1644044e+07 hpm1 124.304 ppm1 8.400 ppm2 7.15
!# peak 1555-----------------------------------------------
assi (attr store1 < 7.019 and attr store1 > 6.919)
    ((attr store1 < 8.447 and attr store1 > 8.347)
     and bondedto (attr store1 < 124.827 and attr store1 > 123.827))
6 6 0 peak 1555 volume 0.6922336e+06 hpm1 124.327 ppm1 8.397 ppm2 6.969
!# peak 1559-----------------------------------------------
assi (attr store1 < -0.083 and attr store1 > -0.183)
    ((attr store1 < 8.491 and attr store1 > 8.391)
     and bondedto (attr store1 < 125.310 and attr store1 > 124.310))
6 6 0 peak 1559 volume 0.5207698e+06 hpm1 124.810 ppm1 8.441 ppm2 -0.133
!# peak 1560-----------------------------------------------
assi (attr store1 < 2.492 and attr store1 > 2.392)
    ((attr store1 < 8.483 and attr store1 > 8.383)
     and bondedto (attr store1 < 125.343 and attr store1 > 124.343))
6 6 0 peak 1560 volume 1025273 hpm1 124.843 ppm1 8.433 ppm2 2.442
!# peak 1561-----------------------------------------------
assi (attr store1 < 1.843 and attr store1 > 1.743)
    ((attr store1 < 8.485 and attr store1 > 8.385)
     and bondedto (attr store1 < 125.324 and attr store1 > 124.324))
6 6 0 peak 1561 volume 27609692 hpm1 124.824 ppm1 8.435 ppm2 1.793
!# peak 1562-----------------------------------------------
assi (attr store1 < 7.836 and attr store1 > 7.736)
    ((attr store1 < 8.512 and attr store1 > 8.412)
     and bondedto (attr store1 < 125.35 and attr store1 > 124.35))
6 6 0 peak 1562 volume 14318290 hpm1 124.85 ppm1 8.462 ppm2 7.786
!# peak 1563-----------------------------------------------
assi (attr store1 < 2.883 and attr store1 > 2.783)
    ((attr store1 < 10.259 and attr store1 > 10.159)
     and bondedto (attr store1 < 127.008 and attr store1 > 126.008))
6 6 0 peak 1563 volume 8499651 hpm1 126.508 ppm1 10.209 ppm2 2.833
!# peak 1565-----------------------------------------------
assi (attr store1 < 2.521 and attr store1 > 2.421)
    ((attr store1 < 10.257 and attr store1 > 10.157)
     and bondedto (attr store1 < 127.001 and attr store1 > 126.001))
6 6 0 peak 1565 volume 5490563 hpm1 126.501 ppm1 10.207 ppm2 2.471
!# peak 1566-----------------------------------------------
assi (attr store1 < 2.203 and attr store1 > 2.103)
    ((attr store1 < 10.259 and attr store1 > 10.159)
     and bondedto (attr store1 < 127.008 and attr store1 > 126.008))
6 6 0 peak 1566 volume 2199004 hpm1 126.508 ppm1 10.209 ppm2 2.153
!# peak 1567-----------------------------------------------
assi (attr store1 < 3.836 and attr store1 > 3.736)
    ((attr store1 < 10.257 and attr store1 > 10.157)
     and bondedto (attr store1 < 127.001 and attr store1 > 126.001))
6 6 0 peak 1567 volume 1001818 hpm1 126.501 ppm1 10.207 ppm2 3.786
!# peak 1568-----------------------------------------------
assi (attr store1 < 3.611 and attr store1 > 3.511)
    ((attr store1 < 10.260 and attr store1 > 10.160)
     and bondedto (attr store1 < 127.010 and attr store1 > 126.010))
6 6 0 peak 1568 volume 1111735 hpm1 126.510 ppm1 10.210 ppm2 3.561
!# peak 1569-----------------------------------------------
assi (attr store1 < 4.279 and attr store1 > 4.179)
    ((attr store1 < 10.267 and attr store1 > 10.167)
     and bondedto (attr store1 < 126.998 and attr store1 > 125.998))
6 6 0 peak 1569 volume 6743881 hpm1 126.498 ppm1 10.217 ppm2 4.229
!# peak 1570-----------------------------------------------
assi (attr store1 < 7.876 and attr store1 > 7.776)
    ((attr store1 < 10.250 and attr store1 > 10.150)
     and bondedto (attr store1 < 126.982 and attr store1 > 125.982))
6 6 0 peak 1570 volume 702519 hpm1 126.482 ppm1 10.200 ppm2 7.826
!# peak 1571-----------------------------------------------
assi (attr store1 < 7.743 and attr store1 > 7.643)
    ((attr store1 < 10.252 and attr store1 > 10.152)
     and bondedto (attr store1 < 126.973 and attr store1 > 125.973))
6 6 0 peak 1571 volume 1846330 hpm1 126.473 ppm1 10.202 ppm2 7.693
!# peak 1573-----------------------------------------------
assi (attr store1 < 7.261 and attr store1 > 7.161)
    ((attr store1 < 10.259 and attr store1 > 10.159)
     and bondedto (attr store1 < 127.027 and attr store1 > 126.027))
6 6 0 peak 1573 volume 3238508 hpm1 126.527 ppm1 10.209 ppm2 7.211
!# peak 1574-----------------------------------------------
assi (attr store1 < 0.821 and attr store1 > 0.721)
    ((attr store1 < 8.962 and attr store1 > 8.862)
     and bondedto (attr store1 < 127.218 and attr store1 > 126.218))
6 6 0 peak 1574 volume 9314616 hpm1 126.718 ppm1 8.912 ppm2 0.771
!# peak 1575-----------------------------------------------
assi (attr store1 < 1.035 and attr store1 > 0.935)
    ((attr store1 < 8.967 and attr store1 > 8.867)
     and bondedto (attr store1 < 127.226 and attr store1 > 126.226))
6 6 0 peak 1575 volume 1014273 hpm1 126.726 ppm1 8.917 ppm2 0.985
!# peak 1576-----------------------------------------------
assi (attr store1 < 4.24 and attr store1 > 4.14)
    ((attr store1 < 8.956 and attr store1 > 8.856)
     and bondedto (attr store1 < 127.228 and attr store1 > 126.228))
6 6 0 peak 1576 volume 1481168 hpm1 126.728 ppm1 8.906 ppm2 4.19
!# peak 1578-----------------------------------------------
assi (attr store1 < 7.2 and attr store1 > 7.1)
    ((attr store1 < 8.957 and attr store1 > 8.857)
     and bondedto (attr store1 < 127.23 and attr store1 > 126.23))
6 6 0 peak 1578 volume 2219150 hpm1 126.73 ppm1 8.907 ppm2 7.15
!# peak 1584-----------------------------------------------
assi (attr store1 < 2.749 and attr store1 > 2.649)
    ((attr store1 < 11.433 and attr store1 > 11.333)
     and bondedto (attr store1 < 128.093 and attr store1 > 127.093))
6 6 0 peak 1584 volume 2491575 hpm1 127.593 ppm1 11.383 ppm2 2.699
!# peak 1585-----------------------------------------------
assi (attr store1 < 3.917 and attr store1 > 3.817)
    ((attr store1 < 11.450 and attr store1 > 11.350)
     and bondedto (attr store1 < 128.113 and attr store1 > 127.113))
6 6 0 peak 1585 volume 5630970 hpm1 127.613 ppm1 11.400 ppm2 3.867
!# peak 1586-----------------------------------------------
assi (attr store1 < 6.98 and attr store1 > 6.88)
    ((attr store1 < 11.456 and attr store1 > 11.356)
     and bondedto (attr store1 < 128.114 and attr store1 > 127.114))
6 6 0 peak 1586 volume 0.1318231e+07 hpm1 127.614 ppm1 11.406 ppm2 6.93
!# peak 1587-----------------------------------------------
assi (attr store1 < 6.395 and attr store1 > 6.295)
    ((attr store1 < 11.449 and attr store1 > 11.349)
     and bondedto (attr store1 < 128.090 and attr store1 > 127.090))
6 6 0 peak 1587 volume 5620689 hpm1 127.590 ppm1 11.399 ppm2 6.345
!# peak 1588-----------------------------------------------
assi (attr store1 < 9.184 and attr store1 > 9.084)
    ((attr store1 < 11.429 and attr store1 > 11.329)
     and bondedto (attr store1 < 128.077 and attr store1 > 127.077))
6 6 0 peak 1588 volume 2222595 hpm1 127.577 ppm1 11.379 ppm2 9.134
!# peak 1589-----------------------------------------------
assi (attr store1 < 8.74 and attr store1 > 8.64)
    ((attr store1 < 11.429 and attr store1 > 11.329)
     and bondedto (attr store1 < 128.120 and attr store1 > 127.120))
6 6 0 peak 1589 volume 0.9499598e+06 hpm1 127.620 ppm1 11.379 ppm2 8.69
!# peak 1590-----------------------------------------------
assi (attr store1 < 8.106 and attr store1 > 8.006)
    ((attr store1 < 11.450 and attr store1 > 11.350)
     and bondedto (attr store1 < 128.109 and attr store1 > 127.109))
6 6 0 peak 1590 volume 3043543 hpm1 127.609 ppm1 11.400 ppm2 8.056
!# peak 1591-----------------------------------------------
assi (attr store1 < 7.915 and attr store1 > 7.815)
    ((attr store1 < 11.449 and attr store1 > 11.349)
     and bondedto (attr store1 < 128.088 and attr store1 > 127.088))
6 6 0 peak 1591 volume 5271461 hpm1 127.588 ppm1 11.399 ppm2 7.865
!# peak 1592-----------------------------------------------
assi (attr store1 < 2.301 and attr store1 > 2.201)
    ((attr store1 < 9.928 and attr store1 > 9.828)
     and bondedto (attr store1 < 129.796 and attr store1 > 128.796))
6 6 0 peak 1592 volume 0.4280071e+06 hpm1 129.296 ppm1 9.878 ppm2 2.251
!# peak 1593-----------------------------------------------
assi (attr store1 < 2.029 and attr store1 > 1.929)
    ((attr store1 < 9.922 and attr store1 > 9.822)
     and bondedto (attr store1 < 129.827 and attr store1 > 128.827))
6 6 0 peak 1593 volume 4453894 hpm1 129.327 ppm1 9.872 ppm2 1.979
!# peak 1594-----------------------------------------------
assi (attr store1 < 1.805 and attr store1 > 1.705)
    ((attr store1 < 9.920 and attr store1 > 9.820)
     and bondedto (attr store1 < 129.801 and attr store1 > 128.801))
6 6 0 peak 1594 volume 6463710 hpm1 129.301 ppm1 9.870 ppm2 1.755
!# peak 1595-----------------------------------------------
assi (attr store1 < 2.926 and attr store1 > 2.826)
    ((attr store1 < 9.921 and attr store1 > 9.821)
     and bondedto (attr store1 < 129.825 and attr store1 > 128.825))
6 6 0 peak 1595 volume 1558155 hpm1 129.325 ppm1 9.871 ppm2 2.876
!# peak 1596-----------------------------------------------
assi (attr store1 < 4.06 and attr store1 > 3.96)
    ((attr store1 < 9.917 and attr store1 > 9.817)
     and bondedto (attr store1 < 129.803 and attr store1 > 128.803))
6 6 0 peak 1596 volume 1742800 hpm1 129.303 ppm1 9.867 ppm2 4.01
!# peak 1597-----------------------------------------------
assi (attr store1 < 7.047 and attr store1 > 6.947)
    ((attr store1 < 9.916 and attr store1 > 9.816)
     and bondedto (attr store1 < 129.801 and attr store1 > 128.801))
6 6 0 peak 1597 volume 4422934 hpm1 129.301 ppm1 9.866 ppm2 6.997
!# peak 1598-----------------------------------------------
assi (attr store1 < 6.573 and attr store1 > 6.473)
    ((attr store1 < 9.924 and attr store1 > 9.824)
     and bondedto (attr store1 < 129.734 and attr store1 > 128.734))
6 6 0 peak 1598 volume 0.1518498e+07 hpm1 129.234 ppm1 9.874 ppm2 6.523
!# peak 1599-----------------------------------------------
assi (attr store1 < 8.339 and attr store1 > 8.239)
    ((attr store1 < 9.912 and attr store1 > 9.812)
     and bondedto (attr store1 < 129.786 and attr store1 > 128.786))
6 6 0 peak 1599 volume 0.5297263e+06 hpm1 129.286 ppm1 9.862 ppm2 8.289
!# peak 1600-----------------------------------------------
assi (attr store1 < 7.917 and attr store1 > 7.817)
    ((attr store1 < 9.916 and attr store1 > 9.816)
     and bondedto (attr store1 < 129.808 and attr store1 > 128.808))
6 6 0 peak 1600 volume 0.7889883e+06 hpm1 129.308 ppm1 9.866 ppm2 7.867
!# peak 1601-----------------------------------------------
assi (attr store1 < 11.517 and attr store1 > 11.417)
    ((attr store1 < 8.713 and attr store1 > 8.613)
     and bondedto (attr store1 < 129.960 and attr store1 > 128.960))
6 6 0 peak 1601 volume 1394877 hpm1 129.460 ppm1 8.663 ppm2 11.467
!# peak 1602-----------------------------------------------
assi (attr store1 < 2.209 and attr store1 > 2.109)
    ((attr store1 < 8.711 and attr store1 > 8.611)
     and bondedto (attr store1 < 129.981 and attr store1 > 128.981))
6 6 0 peak 1602 volume 489460 hpm1 129.481 ppm1 8.661 ppm2 2.159
!# peak 1603-----------------------------------------------
assi (attr store1 < 2.834 and attr store1 > 2.734)
    ((attr store1 < 8.542 and attr store1 > 8.442)
     and bondedto (attr store1 < 129.975 and attr store1 > 128.975))
6 6 0 peak 1603 volume 1932264 hpm1 129.475 ppm1 8.492 ppm2 2.784
!# peak 1604-----------------------------------------------
assi (attr store1 < 5.625 and attr store1 > 5.525)
    ((attr store1 < 8.705 and attr store1 > 8.605)
     and bondedto (attr store1 < 129.976 and attr store1 > 128.976))
6 6 0 peak 1604 volume 0.9620355e+06 hpm1 129.476 ppm1 8.655 ppm2 5.575
!# peak 1605-----------------------------------------------
assi (attr store1 < 4.906 and attr store1 > 4.806)
    ((attr store1 < 8.720 and attr store1 > 8.620)
     and bondedto (attr store1 < 129.964 and attr store1 > 128.964))
6 6 0 peak 1605 volume 5113073 hpm1 129.464 ppm1 8.670 ppm2 4.856
!# peak 1607-----------------------------------------------
assi (attr store1 < 9.056 and attr store1 > 8.956)
    ((attr store1 < 8.715 and attr store1 > 8.615)
     and bondedto (attr store1 < 129.940 and attr store1 > 128.940))
6 6 0 peak 1607 volume 1918290 hpm1 129.440 ppm1 8.665 ppm2 9.006
!# peak 1608-----------------------------------------------
assi (attr store1 < 7.804 and attr store1 > 7.704)
    ((attr store1 < 8.542 and attr store1 > 8.442)
     and bondedto (attr store1 < 130.103 and attr store1 > 129.103))
6 6 0 peak 1608 volume 1006078 hpm1 129.603 ppm1 8.492 ppm2 7.754

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY 105           H1       GLY 105  14.858 -23.010  -5.884
    2   2H    GLY 105           H2       GLY 105  15.601 -23.336  -4.399
    3   3H    GLY 105           H3       GLY 105  16.160 -24.096  -5.810
    4   1HA   GLY 105          HA2       GLY 105  17.669 -22.339  -5.216
    5   2HA   GLY 105          HA1       GLY 105  16.827 -21.932  -6.707
    6    H    SER 106           HN       SER 106  17.010 -21.346  -3.261
    7    HA   SER 106           HA       SER 106  15.608 -18.785  -3.680
    8   1HB   SER 106          HB2       SER 106  14.196 -20.453  -2.467
    9   2HB   SER 106          HB3       SER 106  15.432 -20.542  -1.215
   10    HG   SER 106           HG       SER 106  14.521 -17.998  -1.865
   11    H    HIS 107           HN       HIS 107  17.238 -17.344  -3.626
   12    HA   HIS 107           HA       HIS 107  19.050 -17.404  -1.322
   13   1HB   HIS 107          HB2       HIS 107  20.169 -18.472  -3.297
   14   2HB   HIS 107          HB3       HIS 107  19.981 -16.953  -4.169
   15    HD2  HIS 107           HD2      HIS 107  21.973 -18.368  -1.102
   16    HE1  HIS 107           HE1      HIS 107  23.816 -14.826  -2.503
   17    HE2  HIS 107           HE2      HIS 107  24.104 -16.881  -1.047
   18    H    MET 108           HN       MET 108  19.659 -15.427  -0.569
   19    HA   MET 108           HA       MET 108  19.574 -13.211  -0.127
   20   1HB   MET 108          HB2       MET 108  20.901 -13.268  -2.299
   21   2HB   MET 108          HB3       MET 108  19.417 -12.789  -3.109
   22   1HG   MET 108          HG2       MET 108  19.333 -10.751  -1.783
   23   2HG   MET 108          HG3       MET 108  20.802 -11.231  -0.937
   24   1HE   MET 108          HE1       MET 108  22.504 -12.523  -3.299
   25   2HE   MET 108          HE2       MET 108  23.455 -11.133  -3.819
   26   3HE   MET 108          HE3       MET 108  23.184 -11.423  -2.100
   27    H    GLU 109           HN       GLU 109  17.271 -14.259   0.345
   28    HA   GLU 109           HA       GLU 109  15.010 -13.495  -1.101
   29   1HB   GLU 109          HB2       GLU 109  15.045 -15.224   0.629
   30   2HB   GLU 109          HB3       GLU 109  15.324 -14.005   1.860
   31   1HG   GLU 109          HG2       GLU 109  13.146 -13.091   1.544
   32   2HG   GLU 109          HG3       GLU 109  12.867 -14.116   0.134
   33    H    GLU 110           HN       GLU 110  16.900 -11.709   1.224
   34    HA   GLU 110           HA       GLU 110  14.938  -9.719   1.785
   35   1HB   GLU 110          HB2       GLU 110  16.829  -8.489   2.815
   36   2HB   GLU 110          HB3       GLU 110  16.707 -10.152   3.375
   37   1HG   GLU 110          HG2       GLU 110  18.485 -10.783   1.781
   38   2HG   GLU 110          HG3       GLU 110  18.643  -9.086   1.331
   39    H    LYS 111           HN       LYS 111  16.828 -10.298  -0.938
   40    HA   LYS 111           HA       LYS 111  17.351  -7.571  -1.689
   41   1HB   LYS 111          HB2       LYS 111  18.676  -9.588  -2.456
   42   2HB   LYS 111          HB3       LYS 111  17.316  -9.988  -3.496
   43   1HG   LYS 111          HG2       LYS 111  18.966  -8.859  -4.798
   44   2HG   LYS 111          HG3       LYS 111  17.580  -7.785  -4.601
   45   1HD   LYS 111          HD2       LYS 111  18.745  -6.605  -2.805
   46   2HD   LYS 111          HD3       LYS 111  20.130  -7.682  -2.988
   47   1HE   LYS 111          HE2       LYS 111  20.608  -5.628  -4.127
   48   2HE   LYS 111          HE3       LYS 111  20.361  -6.891  -5.333
   49   1HZ   LYS 111          HZ1       LYS 111  19.252  -4.788  -5.892
   50   2HZ   LYS 111          HZ2       LYS 111  18.300  -4.922  -4.495
   51   3HZ   LYS 111          HZ3       LYS 111  18.151  -6.071  -5.738
   52    H    HIS 112           HN       HIS 112  14.722  -9.767  -1.956
   53    HA   HIS 112           HA       HIS 112  13.436  -8.507  -4.188
   54   1HB   HIS 112          HB2       HIS 112  12.285 -10.373  -2.101
   55   2HB   HIS 112          HB3       HIS 112  11.519  -9.933  -3.624
   56    HD2  HIS 112           HD2      HIS 112  13.411 -10.660  -5.884
   57    HE1  HIS 112           HE1      HIS 112  14.441 -14.168  -3.755
   58    HE2  HIS 112           HE2      HIS 112  14.701 -12.912  -5.942
   59    H    MET 113           HN       MET 113  13.909  -7.636  -1.026
   60    HA   MET 113           HA       MET 113  11.471  -6.014  -0.890
   61   1HB   MET 113          HB2       MET 113  13.586  -6.561   1.213
   62   2HB   MET 113          HB3       MET 113  12.145  -5.582   1.454
   63   1HG   MET 113          HG2       MET 113  10.730  -7.500   1.149
   64   2HG   MET 113          HG3       MET 113  12.120  -8.503   0.737
   65   1HE   MET 113          HE1       MET 113  11.393 -10.309   2.545
   66   2HE   MET 113          HE2       MET 113  11.015  -9.906   4.220
   67   3HE   MET 113          HE3       MET 113   9.983  -9.316   2.917
   68    HA   PRO 114           HA       PRO 114  14.127  -2.763  -2.516
   69   1HB   PRO 114          HB2       PRO 114  11.649  -1.188  -2.202
   70   2HB   PRO 114          HB3       PRO 114  12.627  -1.465  -3.646
   71   1HG   PRO 114          HG2       PRO 114  10.236  -2.626  -3.356
   72   2HG   PRO 114          HG3       PRO 114  11.588  -3.480  -4.125
   73   1HD   PRO 114          HD2       PRO 114  10.524  -3.739  -1.333
   74   2HD   PRO 114          HD3       PRO 114  11.042  -5.010  -2.463
   75    HA   PRO 115           HA       PRO 115  15.344  -0.847   1.274
   76   1HB   PRO 115          HB2       PRO 115  16.231   1.369  -0.494
   77   2HB   PRO 115          HB3       PRO 115  17.160   0.417   0.667
   78   1HG   PRO 115          HG2       PRO 115  17.454   0.033  -1.948
   79   2HG   PRO 115          HG3       PRO 115  17.471  -1.334  -0.818
   80   1HD   PRO 115          HD2       PRO 115  15.278  -0.393  -2.624
   81   2HD   PRO 115          HD3       PRO 115  15.792  -2.050  -2.242
   82    HA   PRO 116           HA       PRO 116  12.164   2.006   2.568
   83   1HB   PRO 116          HB2       PRO 116  13.956   3.615   4.052
   84   2HB   PRO 116          HB3       PRO 116  12.969   2.288   4.666
   85   1HG   PRO 116          HG2       PRO 116  15.830   2.303   3.856
   86   2HG   PRO 116          HG3       PRO 116  15.016   1.352   5.114
   87   1HD   PRO 116          HD2       PRO 116  15.763   0.234   2.804
   88   2HD   PRO 116          HD3       PRO 116  14.231  -0.218   3.585
   89    H    ASN 117           HN       ASN 117  11.373   3.806   1.618
   90    HA   ASN 117           HA       ASN 117  13.097   4.955  -0.408
   91   1HB   ASN 117          HB2       ASN 117  10.110   5.009  -0.031
   92   2HB   ASN 117          HB3       ASN 117  10.926   5.958  -1.268
   93   1HD2  ASN 117          HD21      ASN 117   9.897   2.811  -0.292
   94   2HD2  ASN 117          HD22      ASN 117  10.311   1.989  -1.758
   95    H    MET 118           HN       MET 118  10.448   6.944   0.537
   96    HA   MET 118           HA       MET 118  12.358   9.108   0.575
   97   1HB   MET 118          HB2       MET 118   9.379   9.395   0.905
   98   2HB   MET 118          HB3       MET 118  10.532  10.569   0.282
   99   1HG   MET 118          HG2       MET 118   9.560   8.069  -1.075
  100   2HG   MET 118          HG3       MET 118   9.288   9.745  -1.551
  101   1HE   MET 118          HE1       MET 118  11.121  11.327  -2.608
  102   2HE   MET 118          HE2       MET 118  12.097  11.098  -1.156
  103   3HE   MET 118          HE3       MET 118  12.823  10.886  -2.751
  104    H    THR 119           HN       THR 119  12.403  10.791   2.081
  105    HA   THR 119           HA       THR 119  11.874  10.047   4.832
  106    HB   THR 119           HB       THR 119  12.858  12.731   3.841
  107    HG1  THR 119           HG1      THR 119  14.444  11.531   3.014
  108   1HG2  THR 119          HG21      THR 119  13.973  12.807   6.015
  109   2HG2  THR 119          HG22      THR 119  13.358  11.199   6.399
  110   3HG2  THR 119          HG23      THR 119  12.241  12.551   6.222
  111    H    THR 120           HN       THR 120  10.201  11.322   2.279
  112    HA   THR 120           HA       THR 120   8.457  13.183   3.532
  113    HB   THR 120           HB       THR 120   7.574  11.475   1.225
  114    HG1  THR 120           HG1      THR 120   9.505  13.587   1.054
  115   1HG2  THR 120          HG21      THR 120   7.395  14.443   1.805
  116   2HG2  THR 120          HG22      THR 120   6.103  13.263   2.034
  117   3HG2  THR 120          HG23      THR 120   6.695  13.622   0.411
  118    H    ASN 121           HN       ASN 121   8.946  10.236   4.509
  119    HA   ASN 121           HA       ASN 121   6.263   9.193   4.646
  120   1HB   ASN 121          HB2       ASN 121   7.213   7.357   5.856
  121   2HB   ASN 121          HB3       ASN 121   8.323   7.743   4.546
  122   1HD2  ASN 121          HD21      ASN 121  10.363   8.488   5.029
  123   2HD2  ASN 121          HD22      ASN 121  10.999   8.553   6.641
  124    H    GLU 122           HN       GLU 122   7.953  11.574   6.148
  125    HA   GLU 122           HA       GLU 122   7.610  12.883   7.965
  126   1HB   GLU 122          HB2       GLU 122   5.307  12.979   7.194
  127   2HB   GLU 122          HB3       GLU 122   4.937  11.492   8.050
  128   1HG   GLU 122          HG2       GLU 122   4.119  13.528   9.185
  129   2HG   GLU 122          HG3       GLU 122   5.220  12.566  10.172
  130    H    ARG 123           HN       ARG 123   5.551  10.667   9.567
  131    HA   ARG 123           HA       ARG 123   7.735   9.482  11.116
  132   1HB   ARG 123          HB2       ARG 123   6.675  11.582  12.239
  133   2HB   ARG 123          HB3       ARG 123   5.267  10.558  12.482
  134   1HG   ARG 123          HG2       ARG 123   6.574  10.544  14.475
  135   2HG   ARG 123          HG3       ARG 123   6.711   8.959  13.708
  136   1HD   ARG 123          HD2       ARG 123   8.870   9.559  12.786
  137   2HD   ARG 123          HD3       ARG 123   8.726  11.187  13.446
  138    HE   ARG 123           HE       ARG 123   8.806   8.820  15.196
  139   1HH1  ARG 123          HH12      ARG 123   9.991  11.991  14.260
  140   2HH1  ARG 123          HH11      ARG 123  11.069  12.125  15.622
  141   1HH2  ARG 123          HH22      ARG 123  10.226   8.995  16.975
  142   2HH2  ARG 123          HH21      ARG 123  11.211  10.419  17.160
  143    H    ARG 124           HN       ARG 124   5.796   8.874   9.008
  144    HA   ARG 124           HA       ARG 124   3.838   7.090  10.225
  145   1HB   ARG 124          HB2       ARG 124   4.097   8.671   7.779
  146   2HB   ARG 124          HB3       ARG 124   3.511   7.042   7.478
  147   1HG   ARG 124          HG2       ARG 124   2.293   8.978   9.426
  148   2HG   ARG 124          HG3       ARG 124   1.713   8.677   7.781
  149   1HD   ARG 124          HD2       ARG 124   1.661   6.210   8.456
  150   2HD   ARG 124          HD3       ARG 124   1.783   6.792  10.114
  151    HE   ARG 124           HE       ARG 124  -0.368   7.980   8.576
  152   1HH1  ARG 124          HH12      ARG 124   0.593   5.477  10.840
  153   2HH1  ARG 124          HH11      ARG 124  -1.049   5.035  11.238
  154   1HH2  ARG 124          HH22      ARG 124  -2.526   7.368   9.094
  155   2HH2  ARG 124          HH21      ARG 124  -2.801   6.089  10.245
  156    H    VAL 125           HN       VAL 125   3.556   5.442   7.945
  157    HA   VAL 125           HA       VAL 125   5.550   3.478   8.025
  158    HB   VAL 125           HB       VAL 125   3.994   4.212   5.544
  159   1HG1  VAL 125          HG11      VAL 125   5.004   1.586   6.602
  160   2HG1  VAL 125          HG12      VAL 125   4.045   1.794   5.135
  161   3HG1  VAL 125          HG13      VAL 125   5.657   2.502   5.244
  162   1HG2  VAL 125          HG21      VAL 125   2.335   4.192   7.241
  163   2HG2  VAL 125          HG22      VAL 125   2.212   2.677   6.353
  164   3HG2  VAL 125          HG23      VAL 125   2.983   2.707   7.941
  165    H    ILE 126           HN       ILE 126   7.603   3.461   7.073
  166    HA   ILE 126           HA       ILE 126   8.702   5.777   5.955
  167    HB   ILE 126           HB       ILE 126   9.764   2.991   5.497
  168   1HG1  ILE 126          HG12      ILE 126   9.372   3.149   7.861
  169   2HG1  ILE 126          HG13      ILE 126  11.092   3.410   7.599
  170   1HG2  ILE 126          HG21      ILE 126  11.924   4.098   5.392
  171   2HG2  ILE 126          HG22      ILE 126  10.814   4.801   4.211
  172   3HG2  ILE 126          HG23      ILE 126  11.160   5.656   5.717
  173   1HD1  ILE 126          HD11      ILE 126  10.253   4.946   9.258
  174   2HD1  ILE 126          HD12      ILE 126  10.734   5.832   7.811
  175   3HD1  ILE 126          HD13      ILE 126   9.024   5.532   8.134
  176    H    VAL 127           HN       VAL 127   6.817   6.089   4.466
  177    HA   VAL 127           HA       VAL 127   7.529   5.130   1.779
  178    HB   VAL 127           HB       VAL 127   5.110   4.867   1.277
  179   1HG1  VAL 127          HG11      VAL 127   4.848   2.710   2.257
  180   2HG1  VAL 127          HG12      VAL 127   6.565   2.955   1.942
  181   3HG1  VAL 127          HG13      VAL 127   5.940   3.117   3.582
  182   1HG2  VAL 127          HG21      VAL 127   3.557   4.611   3.228
  183   2HG2  VAL 127          HG22      VAL 127   4.814   5.330   4.237
  184   3HG2  VAL 127          HG23      VAL 127   4.098   6.263   2.923
  185    HA   PRO 128           HA       PRO 128   7.117   9.459   0.637
  186   1HB   PRO 128          HB2       PRO 128   6.015   8.978  -1.887
  187   2HB   PRO 128          HB3       PRO 128   7.736   9.095  -1.520
  188   1HG   PRO 128          HG2       PRO 128   6.027   6.668  -1.847
  189   2HG   PRO 128          HG3       PRO 128   7.711   6.933  -2.338
  190   1HD   PRO 128          HD2       PRO 128   7.132   5.496  -0.172
  191   2HD   PRO 128          HD3       PRO 128   8.528   6.583  -0.189
  192    H    ALA 129           HN       ALA 129   5.503  10.844   1.069
  193    HA   ALA 129           HA       ALA 129   2.808  10.207   1.361
  194   1HB   ALA 129          HB1       ALA 129   3.866  12.203   2.297
  195   2HB   ALA 129          HB2       ALA 129   3.957  12.903   0.681
  196   3HB   ALA 129          HB3       ALA 129   2.386  12.589   1.417
  197    H    ASP 130           HN       ASP 130   4.032   9.442  -1.289
  198    HA   ASP 130           HA       ASP 130   1.677  10.057  -2.926
  199   1HB   ASP 130          HB2       ASP 130   3.909  11.343  -3.684
  200   2HB   ASP 130          HB3       ASP 130   4.365   9.748  -4.236
  201    HA   PRO 131           HA       PRO 131   2.172   5.659  -2.248
  202   1HB   PRO 131          HB2       PRO 131  -0.540   5.734  -3.420
  203   2HB   PRO 131          HB3       PRO 131   0.013   5.010  -1.907
  204   1HG   PRO 131          HG2       PRO 131  -1.439   7.238  -1.881
  205   2HG   PRO 131          HG3       PRO 131  -0.079   7.028  -0.757
  206   1HD   PRO 131          HD2       PRO 131  -0.186   8.564  -3.325
  207   2HD   PRO 131          HD3       PRO 131   0.507   9.049  -1.764
  208    H    THR 132           HN       THR 132   2.989   7.192  -4.733
  209    HA   THR 132           HA       THR 132   2.412   5.260  -6.774
  210    HB   THR 132           HB       THR 132   3.951   6.804  -8.088
  211    HG1  THR 132           HG1      THR 132   3.760   8.997  -6.723
  212   1HG2  THR 132          HG21      THR 132   2.253   8.550  -8.355
  213   2HG2  THR 132          HG22      THR 132   1.474   8.021  -6.863
  214   3HG2  THR 132          HG23      THR 132   1.511   6.952  -8.267
  215    H    LEU 133           HN       LEU 133   5.068   6.481  -4.808
  216    HA   LEU 133           HA       LEU 133   6.907   4.530  -5.954
  217   1HB   LEU 133          HB2       LEU 133   7.710   6.549  -3.911
  218   2HB   LEU 133          HB3       LEU 133   8.642   5.894  -5.240
  219    HG   LEU 133           HG       LEU 133   6.488   8.023  -5.433
  220   1HD1  LEU 133          HD11      LEU 133   9.480   8.107  -5.816
  221   2HD1  LEU 133          HD12      LEU 133   8.367   9.442  -6.112
  222   3HD1  LEU 133          HD13      LEU 133   8.573   8.811  -4.479
  223   1HD2  LEU 133          HD21      LEU 133   7.115   8.172  -7.796
  224   2HD2  LEU 133          HD22      LEU 133   8.216   6.806  -7.603
  225   3HD2  LEU 133          HD23      LEU 133   6.478   6.572  -7.416
  226    H    TRP 134           HN       TRP 134   4.784   4.457  -3.388
  227    HA   TRP 134           HA       TRP 134   6.259   3.076  -1.526
  228   1HB   TRP 134          HB2       TRP 134   3.476   2.519  -2.555
  229   2HB   TRP 134          HB3       TRP 134   4.166   1.758  -1.129
  230    HD1  TRP 134           HD1      TRP 134   5.361   5.146  -0.877
  231    HE1  TRP 134           HE1      TRP 134   3.825   6.627   0.532
  232    HE3  TRP 134           HE3      TRP 134   1.275   2.088  -0.725
  233    HZ2  TRP 134           HZ2      TRP 134   1.215   6.482   1.624
  234    HZ3  TRP 134           HZ3      TRP 134  -0.694   2.822   0.553
  235    HH2  TRP 134           HH2      TRP 134  -0.721   4.972   1.703
  236    H    SER 135           HN       SER 135   7.631   1.422  -1.903
  237    HA   SER 135           HA       SER 135   7.647   0.023  -4.344
  238   1HB   SER 135          HB2       SER 135   9.068  -0.634  -1.761
  239   2HB   SER 135          HB3       SER 135   9.476  -1.260  -3.361
  240    HG   SER 135           HG       SER 135   9.901   0.902  -4.009
  241    H    THR 136           HN       THR 136   7.554  -2.232  -4.583
  242    HA   THR 136           HA       THR 136   5.268  -3.588  -4.164
  243    HB   THR 136           HB       THR 136   6.634  -5.771  -4.032
  244    HG1  THR 136           HG1      THR 136   8.822  -5.577  -4.311
  245   1HG2  THR 136          HG21      THR 136   7.102  -3.830  -6.297
  246   2HG2  THR 136          HG22      THR 136   5.709  -4.898  -6.114
  247   3HG2  THR 136          HG23      THR 136   7.315  -5.578  -6.382
  248    H    ASP 137           HN       ASP 137   7.925  -3.613  -1.799
  249    HA   ASP 137           HA       ASP 137   6.415  -5.276   0.035
  250   1HB   ASP 137          HB2       ASP 137   8.921  -5.418  -0.074
  251   2HB   ASP 137          HB3       ASP 137   8.985  -3.783   0.595
  252    H    HIS 138           HN       HIS 138   7.290  -1.834  -0.343
  253    HA   HIS 138           HA       HIS 138   6.335  -1.028   2.147
  254   1HB   HIS 138          HB2       HIS 138   6.881   0.408  -0.430
  255   2HB   HIS 138          HB3       HIS 138   6.360   1.231   1.032
  256    HD2  HIS 138           HD2      HIS 138   8.203   1.108   3.177
  257    HE1  HIS 138           HE1      HIS 138  11.423   0.012   0.661
  258    HE2  HIS 138           HE2      HIS 138  10.733   0.536   3.040
  259    H    VAL 139           HN       VAL 139   4.518  -2.139  -0.497
  260    HA   VAL 139           HA       VAL 139   2.408  -0.175  -0.045
  261    HB   VAL 139           HB       VAL 139   2.855  -2.241  -2.179
  262   1HG1  VAL 139          HG11      VAL 139   0.717  -2.980  -1.251
  263   2HG1  VAL 139          HG12      VAL 139   0.092  -1.332  -1.338
  264   3HG1  VAL 139          HG13      VAL 139   0.470  -2.213  -2.820
  265   1HG2  VAL 139          HG21      VAL 139   3.266   0.144  -2.577
  266   2HG2  VAL 139          HG22      VAL 139   1.977  -0.486  -3.610
  267   3HG2  VAL 139          HG23      VAL 139   1.576   0.483  -2.192
  268    H    ARG 140           HN       ARG 140   3.398  -3.462   0.125
  269    HA   ARG 140           HA       ARG 140   1.086  -4.599   1.336
  270   1HB   ARG 140          HB2       ARG 140   2.880  -5.799   0.023
  271   2HB   ARG 140          HB3       ARG 140   3.950  -5.576   1.397
  272   1HG   ARG 140          HG2       ARG 140   1.332  -6.871   1.838
  273   2HG   ARG 140          HG3       ARG 140   2.599  -7.800   1.042
  274   1HD   ARG 140          HD2       ARG 140   2.758  -6.467   3.748
  275   2HD   ARG 140          HD3       ARG 140   2.620  -8.196   3.446
  276    HE   ARG 140           HE       ARG 140   4.948  -6.858   2.317
  277   1HH1  ARG 140          HH12      ARG 140   3.612  -8.779   4.925
  278   2HH1  ARG 140          HH11      ARG 140   5.168  -9.356   5.459
  279   1HH2  ARG 140          HH22      ARG 140   6.996  -7.581   3.021
  280   2HH2  ARG 140          HH21      ARG 140   7.089  -8.694   4.364
  281    H    GLN 141           HN       GLN 141   3.908  -2.918   2.432
  282    HA   GLN 141           HA       GLN 141   3.832  -3.616   5.147
  283   1HB   GLN 141          HB2       GLN 141   5.791  -2.524   4.403
  284   2HB   GLN 141          HB3       GLN 141   4.882  -1.207   3.683
  285   1HG   GLN 141          HG2       GLN 141   4.441  -0.201   5.751
  286   2HG   GLN 141          HG3       GLN 141   4.858  -1.678   6.636
  287   1HE2  GLN 141          HE21      GLN 141   6.893  -0.801   4.012
  288   2HE2  GLN 141          HE22      GLN 141   8.218  -0.213   4.949
  289    H    TRP 142           HN       TRP 142   2.753  -0.494   3.738
  290    HA   TRP 142           HA       TRP 142   1.178   0.255   5.896
  291   1HB   TRP 142          HB2       TRP 142   1.709   1.795   4.045
  292   2HB   TRP 142          HB3       TRP 142   0.663   0.870   2.974
  293    HD1  TRP 142           HD1      TRP 142   0.469   3.204   6.028
  294    HE1  TRP 142           HE1      TRP 142  -1.935   4.105   6.220
  295    HE3  TRP 142           HE3      TRP 142  -1.735   0.477   2.293
  296    HZ2  TRP 142           HZ2      TRP 142  -4.420   3.717   4.983
  297    HZ3  TRP 142           HZ3      TRP 142  -4.132   0.818   1.852
  298    HH2  TRP 142           HH2      TRP 142  -5.446   2.408   3.168
  299    H    LEU 143           HN       LEU 143   0.141  -1.218   2.899
  300    HA   LEU 143           HA       LEU 143  -2.455  -1.700   3.316
  301   1HB   LEU 143          HB2       LEU 143  -1.243  -2.336   1.314
  302   2HB   LEU 143          HB3       LEU 143  -0.473  -3.649   2.171
  303    HG   LEU 143           HG       LEU 143  -2.941  -4.454   2.507
  304   1HD1  LEU 143          HD11      LEU 143  -3.125  -2.728   0.049
  305   2HD1  LEU 143          HD12      LEU 143  -4.328  -3.920   0.562
  306   3HD1  LEU 143          HD13      LEU 143  -4.003  -2.506   1.566
  307   1HD2  LEU 143          HD21      LEU 143  -1.183  -5.667   1.349
  308   2HD2  LEU 143          HD22      LEU 143  -2.708  -5.774   0.468
  309   3HD2  LEU 143          HD23      LEU 143  -1.442  -4.682  -0.092
  310    H    GLU 144           HN       GLU 144   0.102  -3.645   4.643
  311    HA   GLU 144           HA       GLU 144  -1.661  -5.488   6.032
  312   1HB   GLU 144          HB2       GLU 144   1.268  -5.107   5.946
  313   2HB   GLU 144          HB3       GLU 144   0.646  -5.698   7.480
  314   1HG   GLU 144          HG2       GLU 144  -0.534  -7.494   6.180
  315   2HG   GLU 144          HG3       GLU 144   0.388  -6.978   4.773
  316    H    TRP 145           HN       TRP 145   0.484  -2.933   7.116
  317    HA   TRP 145           HA       TRP 145  -0.427  -2.530   9.705
  318   1HB   TRP 145          HB2       TRP 145   1.565  -1.538   9.218
  319   2HB   TRP 145          HB3       TRP 145   1.047  -1.018   7.625
  320    HD1  TRP 145           HD1      TRP 145   0.683   1.436   7.371
  321    HE1  TRP 145           HE1      TRP 145   0.372   3.417   8.956
  322    HE3  TRP 145           HE3      TRP 145   0.342  -1.113  11.733
  323    HZ2  TRP 145           HZ2      TRP 145  -0.017   3.847  11.731
  324    HZ3  TRP 145           HZ3      TRP 145  -0.006   0.133  13.826
  325    HH2  TRP 145           HH2      TRP 145  -0.184   2.568  13.827
  326    H    ALA 146           HN       ALA 146  -2.241  -2.178   6.996
  327    HA   ALA 146           HA       ALA 146  -3.653   0.273   7.804
  328   1HB   ALA 146          HB1       ALA 146  -3.055   0.065   5.444
  329   2HB   ALA 146          HB2       ALA 146  -3.999  -1.422   5.333
  330   3HB   ALA 146          HB3       ALA 146  -4.805   0.112   5.663
  331    H    VAL 147           HN       VAL 147  -4.352  -3.100   6.865
  332    HA   VAL 147           HA       VAL 147  -6.815  -3.402   8.008
  333    HB   VAL 147           HB       VAL 147  -4.465  -5.284   7.897
  334   1HG1  VAL 147          HG11      VAL 147  -5.917  -6.027   9.701
  335   2HG1  VAL 147          HG12      VAL 147  -7.321  -5.907   8.641
  336   3HG1  VAL 147          HG13      VAL 147  -6.067  -7.104   8.314
  337   1HG2  VAL 147          HG21      VAL 147  -5.795  -6.273   6.051
  338   2HG2  VAL 147          HG22      VAL 147  -6.957  -4.956   6.234
  339   3HG2  VAL 147          HG23      VAL 147  -5.298  -4.608   5.746
  340    H    LYS 148           HN       LYS 148  -3.673  -3.067   9.432
  341    HA   LYS 148           HA       LYS 148  -4.343  -4.012  12.033
  342   1HB   LYS 148          HB2       LYS 148  -1.968  -2.457  11.013
  343   2HB   LYS 148          HB3       LYS 148  -2.126  -3.021  12.670
  344   1HG   LYS 148          HG2       LYS 148  -2.113  -4.801  10.241
  345   2HG   LYS 148          HG3       LYS 148  -0.722  -4.489  11.281
  346   1HD   LYS 148          HD2       LYS 148  -1.858  -5.486  13.164
  347   2HD   LYS 148          HD3       LYS 148  -3.328  -5.690  12.213
  348   1HE   LYS 148          HE2       LYS 148  -2.127  -7.792  12.390
  349   2HE   LYS 148          HE3       LYS 148  -2.152  -7.229  10.721
  350   1HZ   LYS 148          HZ1       LYS 148   0.141  -6.693  12.514
  351   2HZ   LYS 148          HZ2       LYS 148   0.093  -6.631  10.820
  352   3HZ   LYS 148          HZ3       LYS 148   0.022  -8.126  11.616
  353    H    GLU 149           HN       GLU 149  -3.836  -0.557  10.719
  354    HA   GLU 149           HA       GLU 149  -4.648   0.445  13.158
  355   1HB   GLU 149          HB2       GLU 149  -3.124   1.468  11.439
  356   2HB   GLU 149          HB3       GLU 149  -4.534   1.776  10.429
  357   1HG   GLU 149          HG2       GLU 149  -5.441   3.265  12.115
  358   2HG   GLU 149          HG3       GLU 149  -4.112   2.881  13.201
  359    H    TYR 150           HN       TYR 150  -6.618  -0.657  10.456
  360    HA   TYR 150           HA       TYR 150  -8.641   1.324  11.210
  361   1HB   TYR 150          HB2       TYR 150  -8.287  -0.032   8.529
  362   2HB   TYR 150          HB3       TYR 150  -9.470   1.200   8.926
  363    HD1  TYR 150           HD1      TYR 150  -8.017   3.223  10.332
  364    HD2  TYR 150           HD2      TYR 150  -6.756   0.846   7.037
  365    HE1  TYR 150           HE1      TYR 150  -6.388   4.951   9.713
  366    HE2  TYR 150           HE2      TYR 150  -5.119   2.571   6.408
  367    HH   TYR 150           HH       TYR 150  -4.221   5.048   8.489
  368    H    GLY 151           HN       GLY 151  -7.889  -1.866  11.468
  369   1HA   GLY 151          HA1       GLY 151  -9.110  -3.638  12.288
  370   2HA   GLY 151          HA2       GLY 151 -10.457  -2.527  12.502
  371    H    LEU 152           HN       LEU 152  -8.664  -3.916   9.761
  372    HA   LEU 152           HA       LEU 152 -11.205  -4.112   8.284
  373   1HB   LEU 152          HB2       LEU 152  -8.366  -4.251   7.276
  374   2HB   LEU 152          HB3       LEU 152  -9.816  -4.182   6.295
  375    HG   LEU 152           HG       LEU 152  -8.778  -1.988   8.087
  376   1HD1  LEU 152          HD11      LEU 152  -8.936  -2.234   5.087
  377   2HD1  LEU 152          HD12      LEU 152  -8.451  -0.788   5.973
  378   3HD1  LEU 152          HD13      LEU 152  -7.469  -2.250   6.068
  379   1HD2  LEU 152          HD21      LEU 152 -11.204  -2.073   6.301
  380   2HD2  LEU 152          HD22      LEU 152 -11.206  -2.014   8.064
  381   3HD2  LEU 152          HD23      LEU 152 -10.592  -0.644   7.135
  382    HA   PRO 153           HA       PRO 153 -10.486  -8.523   9.178
  383   1HB   PRO 153          HB2       PRO 153 -13.327  -8.891   8.776
  384   2HB   PRO 153          HB3       PRO 153 -12.400  -9.036  10.269
  385   1HG   PRO 153          HG2       PRO 153 -14.229  -7.056   9.796
  386   2HG   PRO 153          HG3       PRO 153 -12.864  -6.897  10.912
  387   1HD   PRO 153          HD2       PRO 153 -13.151  -5.884   8.111
  388   2HD   PRO 153          HD3       PRO 153 -12.404  -5.104   9.523
  389    H    ASP 154           HN       ASP 154 -12.904  -7.440   6.824
  390    HA   ASP 154           HA       ASP 154 -12.424  -9.628   5.049
  391   1HB   ASP 154          HB2       ASP 154 -13.944  -7.068   4.518
  392   2HB   ASP 154          HB3       ASP 154 -14.084  -8.581   3.628
  393    H    VAL 155           HN       VAL 155 -10.015  -8.996   5.047
  394    HA   VAL 155           HA       VAL 155  -9.572  -7.475   2.587
  395    HB   VAL 155           HB       VAL 155  -7.902  -7.073   5.072
  396   1HG1  VAL 155          HG11      VAL 155  -6.564  -7.047   3.020
  397   2HG1  VAL 155          HG12      VAL 155  -7.655  -5.849   2.321
  398   3HG1  VAL 155          HG13      VAL 155  -6.675  -5.436   3.728
  399   1HG2  VAL 155          HG21      VAL 155 -10.028  -5.893   5.182
  400   2HG2  VAL 155          HG22      VAL 155  -8.695  -4.759   4.960
  401   3HG2  VAL 155          HG23      VAL 155  -9.730  -5.182   3.596
  402    H    ASN 156           HN       ASN 156  -8.662  -8.809   1.211
  403    HA   ASN 156           HA       ASN 156  -6.868 -10.892   2.167
  404   1HB   ASN 156          HB2       ASN 156  -8.680 -10.656  -0.013
  405   2HB   ASN 156          HB3       ASN 156  -7.063 -10.846  -0.686
  406   1HD2  ASN 156          HD21      ASN 156  -6.132 -12.353   1.637
  407   2HD2  ASN 156          HD22      ASN 156  -6.817 -13.932   1.500
  408    H    ILE 157           HN       ILE 157  -5.272  -9.416   2.858
  409    HA   ILE 157           HA       ILE 157  -4.237  -7.438   1.142
  410    HB   ILE 157           HB       ILE 157  -2.233  -7.676   2.976
  411   1HG1  ILE 157          HG12      ILE 157  -4.737  -8.682   4.341
  412   2HG1  ILE 157          HG13      ILE 157  -3.328  -9.661   3.961
  413   1HG2  ILE 157          HG21      ILE 157  -3.375  -5.634   2.633
  414   2HG2  ILE 157          HG22      ILE 157  -4.887  -6.298   3.261
  415   3HG2  ILE 157          HG23      ILE 157  -3.521  -6.027   4.346
  416   1HD1  ILE 157          HD11      ILE 157  -1.983  -8.442   5.492
  417   2HD1  ILE 157          HD12      ILE 157  -3.255  -7.242   5.738
  418   3HD1  ILE 157          HD13      ILE 157  -3.470  -8.893   6.323
  419    H    LEU 158           HN       LEU 158  -3.175 -10.722   1.826
  420    HA   LEU 158           HA       LEU 158  -0.625 -10.563   0.664
  421   1HB   LEU 158          HB2       LEU 158  -0.785 -13.020   0.462
  422   2HB   LEU 158          HB3       LEU 158  -1.136 -12.400   2.060
  423    HG   LEU 158           HG       LEU 158  -3.410 -12.991   0.206
  424   1HD1  LEU 158          HD11      LEU 158  -3.462 -15.293   1.003
  425   2HD1  LEU 158          HD12      LEU 158  -1.979 -14.976   0.104
  426   3HD1  LEU 158          HD13      LEU 158  -1.946 -15.040   1.865
  427   1HD2  LEU 158          HD21      LEU 158  -3.022 -13.166   3.194
  428   2HD2  LEU 158          HD22      LEU 158  -3.875 -11.890   2.324
  429   3HD2  LEU 158          HD23      LEU 158  -4.516 -13.533   2.333
  430    H    LEU 159           HN       LEU 159  -3.232  -9.714  -0.987
  431    HA   LEU 159           HA       LEU 159  -2.622 -11.225  -3.423
  432   1HB   LEU 159          HB2       LEU 159  -4.992  -9.599  -2.548
  433   2HB   LEU 159          HB3       LEU 159  -4.692  -9.868  -4.252
  434    HG   LEU 159           HG       LEU 159  -4.892 -12.289  -3.929
  435   1HD1  LEU 159          HD11      LEU 159  -5.461 -11.610  -1.049
  436   2HD1  LEU 159          HD12      LEU 159  -5.653 -13.202  -1.786
  437   3HD1  LEU 159          HD13      LEU 159  -4.050 -12.474  -1.662
  438   1HD2  LEU 159          HD21      LEU 159  -6.907 -11.015  -4.459
  439   2HD2  LEU 159          HD22      LEU 159  -7.280 -12.383  -3.410
  440   3HD2  LEU 159          HD23      LEU 159  -7.203 -10.754  -2.740
  441    H    PHE 160           HN       PHE 160  -2.190  -8.266  -1.813
  442    HA   PHE 160           HA       PHE 160  -1.719  -6.773  -4.258
  443   1HB   PHE 160          HB2       PHE 160  -1.618  -5.899  -1.370
  444   2HB   PHE 160          HB3       PHE 160  -1.372  -4.833  -2.747
  445    HD1  PHE 160           HD1      PHE 160  -3.839  -6.951  -1.011
  446    HD2  PHE 160           HD2      PHE 160  -3.208  -3.947  -3.959
  447    HE1  PHE 160           HE1      PHE 160  -6.265  -6.571  -1.136
  448    HE2  PHE 160           HE2      PHE 160  -5.634  -3.561  -4.087
  449    HZ   PHE 160           HZ       PHE 160  -7.155  -4.802  -2.631
  450    H    GLN 161           HN       GLN 161  -0.023  -8.719  -2.227
  451    HA   GLN 161           HA       GLN 161   2.405  -7.677  -1.640
  452   1HB   GLN 161          HB2       GLN 161   1.968 -10.428  -2.788
  453   2HB   GLN 161          HB3       GLN 161   3.350  -9.914  -1.832
  454   1HG   GLN 161          HG2       GLN 161   1.776  -9.404   0.027
  455   2HG   GLN 161          HG3       GLN 161   0.500 -10.147  -0.932
  456   1HE2  GLN 161          HE21      GLN 161   1.619 -10.923   1.669
  457   2HE2  GLN 161          HE22      GLN 161   2.149 -12.561   1.471
  458    H    ASN 162           HN       ASN 162   1.308  -8.389  -4.869
  459    HA   ASN 162           HA       ASN 162   4.026  -8.003  -5.919
  460   1HB   ASN 162          HB2       ASN 162   1.546  -9.004  -7.335
  461   2HB   ASN 162          HB3       ASN 162   3.148  -8.873  -8.050
  462   1HD2  ASN 162          HD21      ASN 162   4.464  -9.780  -5.577
  463   2HD2  ASN 162          HD22      ASN 162   4.186 -11.492  -5.499
  464    H    ILE 163           HN       ILE 163   1.518  -6.196  -5.092
  465    HA   ILE 163           HA       ILE 163   1.630  -4.371  -7.396
  466    HB   ILE 163           HB       ILE 163  -0.257  -4.535  -5.028
  467   1HG1  ILE 163          HG12      ILE 163  -0.797  -4.899  -7.978
  468   2HG1  ILE 163          HG13      ILE 163  -0.627  -6.208  -6.808
  469   1HG2  ILE 163          HG21      ILE 163  -0.494  -2.589  -7.299
  470   2HG2  ILE 163          HG22      ILE 163  -1.455  -2.660  -5.827
  471   3HG2  ILE 163          HG23      ILE 163   0.243  -2.184  -5.748
  472   1HD1  ILE 163          HD11      ILE 163  -2.968  -5.696  -7.317
  473   2HD1  ILE 163          HD12      ILE 163  -2.580  -5.429  -5.616
  474   3HD1  ILE 163          HD13      ILE 163  -2.726  -4.056  -6.711
  475    H    ASP 164           HN       ASP 164   2.871  -2.666  -7.322
  476    HA   ASP 164           HA       ASP 164   3.627  -1.640  -4.673
  477   1HB   ASP 164          HB2       ASP 164   5.516  -0.585  -5.666
  478   2HB   ASP 164          HB3       ASP 164   5.465  -2.225  -6.302
  479    H    GLY 165           HN       GLY 165   4.239   0.955  -5.232
  480   1HA   GLY 165          HA1       GLY 165   1.725   2.126  -4.884
  481   2HA   GLY 165          HA2       GLY 165   3.219   2.996  -5.189
  482    H    LYS 166           HN       LYS 166   3.614   1.691  -7.825
  483    HA   LYS 166           HA       LYS 166   2.269   3.727  -9.309
  484   1HB   LYS 166          HB2       LYS 166   3.443   2.866 -11.203
  485   2HB   LYS 166          HB3       LYS 166   4.528   2.672  -9.839
  486   1HG   LYS 166          HG2       LYS 166   4.790   0.644 -10.772
  487   2HG   LYS 166          HG3       LYS 166   3.418   0.303  -9.717
  488   1HD   LYS 166          HD2       LYS 166   1.889   0.631 -11.607
  489   2HD   LYS 166          HD3       LYS 166   3.266   0.967 -12.662
  490   1HE   LYS 166          HE2       LYS 166   4.141  -1.255 -12.274
  491   2HE   LYS 166          HE3       LYS 166   2.836  -1.596 -11.142
  492   1HZ   LYS 166          HZ1       LYS 166   1.250  -1.504 -12.911
  493   2HZ   LYS 166          HZ2       LYS 166   2.496  -2.548 -13.382
  494   3HZ   LYS 166          HZ3       LYS 166   2.421  -0.979 -14.019
  495    H    GLU 167           HN       GLU 167   1.559   0.544  -8.384
  496    HA   GLU 167           HA       GLU 167  -0.393   0.223 -10.502
  497   1HB   GLU 167          HB2       GLU 167   1.261  -1.584  -9.771
  498   2HB   GLU 167          HB3       GLU 167   0.269  -1.762  -8.334
  499   1HG   GLU 167          HG2       GLU 167  -0.479  -3.427  -9.761
  500   2HG   GLU 167          HG3       GLU 167  -1.671  -2.137  -9.943
  501    H    LEU 168           HN       LEU 168  -0.093   0.919  -7.110
  502    HA   LEU 168           HA       LEU 168  -2.904   0.510  -6.570
  503   1HB   LEU 168          HB2       LEU 168  -0.886   0.037  -5.003
  504   2HB   LEU 168          HB3       LEU 168  -0.898   1.766  -4.716
  505    HG   LEU 168           HG       LEU 168  -3.271   1.552  -3.954
  506   1HD1  LEU 168          HD11      LEU 168  -3.826  -0.537  -5.074
  507   2HD1  LEU 168          HD12      LEU 168  -2.642  -1.396  -4.089
  508   3HD1  LEU 168          HD13      LEU 168  -4.066  -0.681  -3.332
  509   1HD2  LEU 168          HD21      LEU 168  -1.416   1.684  -2.379
  510   2HD2  LEU 168          HD22      LEU 168  -2.693   0.629  -1.774
  511   3HD2  LEU 168          HD23      LEU 168  -1.221  -0.068  -2.451
  512    H    CYS 169           HN       CYS 169  -0.753   3.125  -7.273
  513    HA   CYS 169           HA       CYS 169  -2.526   5.300  -6.662
  514   1HB   CYS 169          HB2       CYS 169  -0.218   5.799  -6.918
  515   2HB   CYS 169          HB3       CYS 169  -0.149   4.999  -8.493
  516    HG   CYS 169           HG       CYS 169  -0.270   8.073  -8.113
  517    H    LYS 170           HN       LYS 170  -2.352   2.869  -9.134
  518    HA   LYS 170           HA       LYS 170  -3.979   4.156 -11.124
  519   1HB   LYS 170          HB2       LYS 170  -2.430   2.515 -11.843
  520   2HB   LYS 170          HB3       LYS 170  -2.861   1.423 -10.533
  521   1HG   LYS 170          HG2       LYS 170  -5.074   1.136 -11.528
  522   2HG   LYS 170          HG3       LYS 170  -4.583   2.187 -12.850
  523   1HD   LYS 170          HD2       LYS 170  -3.162  -0.364 -12.120
  524   2HD   LYS 170          HD3       LYS 170  -4.427  -0.270 -13.344
  525   1HE   LYS 170          HE2       LYS 170  -1.834   1.270 -13.388
  526   2HE   LYS 170          HE3       LYS 170  -2.170  -0.189 -14.319
  527   1HZ   LYS 170          HZ1       LYS 170  -3.475   2.461 -14.592
  528   2HZ   LYS 170          HZ2       LYS 170  -4.063   1.056 -15.332
  529   3HZ   LYS 170          HZ3       LYS 170  -2.527   1.648 -15.741
  530    H    MET 171           HN       MET 171  -4.351   1.378  -8.934
  531    HA   MET 171           HA       MET 171  -6.740   0.533  -9.149
  532   1HB   MET 171          HB2       MET 171  -5.707   1.333  -6.447
  533   2HB   MET 171          HB3       MET 171  -6.973   0.153  -6.766
  534   1HG   MET 171          HG2       MET 171  -4.190  -0.125  -7.852
  535   2HG   MET 171          HG3       MET 171  -4.660  -0.715  -6.269
  536   1HE   MET 171          HE1       MET 171  -5.696  -2.958  -5.823
  537   2HE   MET 171          HE2       MET 171  -7.188  -2.110  -6.229
  538   3HE   MET 171          HE3       MET 171  -6.871  -3.709  -6.904
  539    H    THR 172           HN       THR 172  -8.743   1.024  -9.179
  540    HA   THR 172           HA       THR 172  -9.617   3.554  -7.977
  541    HB   THR 172           HB       THR 172 -11.626   3.314  -9.366
  542    HG1  THR 172           HG1      THR 172 -10.259   1.026 -10.408
  543   1HG2  THR 172          HG21      THR 172  -9.754   4.607 -10.238
  544   2HG2  THR 172          HG22      THR 172 -10.576   3.756 -11.548
  545   3HG2  THR 172          HG23      THR 172  -9.047   3.142 -10.921
  546    H    LYS 173           HN       LYS 173 -12.147   3.233  -7.348
  547    HA   LYS 173           HA       LYS 173 -12.095   1.609  -5.064
  548   1HB   LYS 173          HB2       LYS 173 -14.534   2.059  -4.908
  549   2HB   LYS 173          HB3       LYS 173 -13.557   3.502  -5.123
  550   1HG   LYS 173          HG2       LYS 173 -14.152   3.539  -7.502
  551   2HG   LYS 173          HG3       LYS 173 -15.166   2.113  -7.256
  552   1HD   LYS 173          HD2       LYS 173 -16.552   3.342  -5.686
  553   2HD   LYS 173          HD3       LYS 173 -15.512   4.758  -5.841
  554   1HE   LYS 173          HE2       LYS 173 -17.510   5.048  -7.172
  555   2HE   LYS 173          HE3       LYS 173 -16.103   4.902  -8.225
  556   1HZ   LYS 173          HZ1       LYS 173 -18.106   3.612  -8.929
  557   2HZ   LYS 173          HZ2       LYS 173 -17.885   2.618  -7.573
  558   3HZ   LYS 173          HZ3       LYS 173 -16.693   2.692  -8.776
  559    H    ASP 174           HN       ASP 174 -13.113   0.885  -8.366
  560    HA   ASP 174           HA       ASP 174 -14.509  -1.480  -7.753
  561   1HB   ASP 174          HB2       ASP 174 -14.810  -0.267  -9.842
  562   2HB   ASP 174          HB3       ASP 174 -13.131  -0.560 -10.281
  563    H    ASP 175           HN       ASP 175 -11.159  -0.768  -8.477
  564    HA   ASP 175           HA       ASP 175 -10.321  -3.432  -9.050
  565   1HB   ASP 175          HB2       ASP 175  -8.772  -0.978  -8.205
  566   2HB   ASP 175          HB3       ASP 175  -8.050  -2.472  -8.768
  567    H    PHE 176           HN       PHE 176 -10.507  -1.566  -6.113
  568    HA   PHE 176           HA       PHE 176  -9.067  -3.591  -4.649
  569   1HB   PHE 176          HB2       PHE 176 -10.727  -1.225  -3.746
  570   2HB   PHE 176          HB3       PHE 176 -10.161  -2.421  -2.594
  571    HD1  PHE 176           HD1      PHE 176  -9.003   0.028  -5.127
  572    HD2  PHE 176           HD2      PHE 176  -8.042  -2.242  -1.653
  573    HE1  PHE 176           HE1      PHE 176  -6.875   1.237  -4.930
  574    HE2  PHE 176           HE2      PHE 176  -5.917  -1.023  -1.454
  575    HZ   PHE 176           HZ       PHE 176  -5.387   0.791  -2.984
  576    H    GLN 177           HN       GLN 177 -12.362  -3.052  -5.568
  577    HA   GLN 177           HA       GLN 177 -13.549  -4.709  -3.554
  578   1HB   GLN 177          HB2       GLN 177 -14.539  -3.634  -6.168
  579   2HB   GLN 177          HB3       GLN 177 -15.512  -4.636  -5.097
  580   1HG   GLN 177          HG2       GLN 177 -14.918  -2.930  -3.286
  581   2HG   GLN 177          HG3       GLN 177 -14.410  -1.904  -4.622
  582   1HE2  GLN 177          HE21      GLN 177 -16.572  -1.568  -2.683
  583   2HE2  GLN 177          HE22      GLN 177 -18.031  -1.412  -3.603
  584    H    ARG 178           HN       ARG 178 -11.590  -5.611  -6.140
  585    HA   ARG 178           HA       ARG 178 -13.049  -8.147  -6.387
  586   1HB   ARG 178          HB2       ARG 178 -11.789  -8.611  -8.388
  587   2HB   ARG 178          HB3       ARG 178 -12.533  -7.028  -8.518
  588   1HG   ARG 178          HG2       ARG 178 -10.353  -6.009  -7.908
  589   2HG   ARG 178          HG3       ARG 178  -9.643  -7.629  -7.945
  590   1HD   ARG 178          HD2       ARG 178 -10.359  -7.878 -10.279
  591   2HD   ARG 178          HD3       ARG 178 -11.025  -6.249 -10.241
  592    HE   ARG 178           HE       ARG 178  -8.157  -6.692  -9.758
  593   1HH1  ARG 178          HH12      ARG 178 -10.766  -5.271 -11.616
  594   2HH1  ARG 178          HH11      ARG 178  -9.712  -4.316 -12.618
  595   1HH2  ARG 178          HH22      ARG 178  -6.754  -5.431 -11.078
  596   2HH2  ARG 178          HH21      ARG 178  -7.435  -4.383 -12.287
  597    H    LEU 179           HN       LEU 179 -10.729  -6.810  -4.599
  598    HA   LEU 179           HA       LEU 179  -9.438  -9.412  -4.080
  599   1HB   LEU 179          HB2       LEU 179  -8.157  -6.688  -3.779
  600   2HB   LEU 179          HB3       LEU 179  -7.389  -8.232  -3.471
  601    HG   LEU 179           HG       LEU 179  -8.290  -7.217  -6.170
  602   1HD1  LEU 179          HD11      LEU 179  -5.530  -7.591  -5.016
  603   2HD1  LEU 179          HD12      LEU 179  -5.901  -7.117  -6.672
  604   3HD1  LEU 179          HD13      LEU 179  -6.324  -6.047  -5.334
  605   1HD2  LEU 179          HD21      LEU 179  -7.152  -9.193  -7.063
  606   2HD2  LEU 179          HD22      LEU 179  -6.843  -9.757  -5.420
  607   3HD2  LEU 179          HD23      LEU 179  -8.500  -9.638  -6.014
  608    H    THR 180           HN       THR 180 -10.809  -6.461  -2.957
  609    HA   THR 180           HA       THR 180 -11.349  -7.487  -0.318
  610    HB   THR 180           HB       THR 180  -9.534  -5.097  -0.751
  611    HG1  THR 180           HG1      THR 180  -8.839  -7.509  -0.585
  612   1HG2  THR 180          HG21      THR 180  -9.524  -4.919   1.723
  613   2HG2  THR 180          HG22      THR 180 -10.826  -6.109   1.778
  614   3HG2  THR 180          HG23      THR 180 -11.088  -4.549   0.998
  615    HA   PRO 181           HA       PRO 181 -14.444  -4.857  -2.338
  616   1HB   PRO 181          HB2       PRO 181 -16.602  -6.329  -1.804
  617   2HB   PRO 181          HB3       PRO 181 -15.387  -6.871  -2.968
  618   1HG   PRO 181          HG2       PRO 181 -15.818  -7.728  -0.140
  619   2HG   PRO 181          HG3       PRO 181 -15.385  -8.707  -1.554
  620   1HD   PRO 181          HD2       PRO 181 -13.599  -7.762   0.361
  621   2HD   PRO 181          HD3       PRO 181 -13.161  -8.313  -1.267
  622    H    SER 182           HN       SER 182 -16.929  -4.497  -1.508
  623    HA   SER 182           HA       SER 182 -18.245  -3.214  -0.224
  624   1HB   SER 182          HB2       SER 182 -18.488  -3.937   2.117
  625   2HB   SER 182          HB3       SER 182 -18.431  -5.294   0.996
  626    HG   SER 182           HG       SER 182 -15.962  -4.964   1.671
  627    H    TYR 183           HN       TYR 183 -17.162  -2.858   2.749
  628    HA   TYR 183           HA       TYR 183 -16.666  -0.079   2.305
  629   1HB   TYR 183          HB2       TYR 183 -16.550   0.037   4.777
  630   2HB   TYR 183          HB3       TYR 183 -17.993  -0.793   4.207
  631    HD1  TYR 183           HD1      TYR 183 -15.042  -1.031   6.247
  632    HD2  TYR 183           HD2      TYR 183 -18.035  -3.333   4.286
  633    HE1  TYR 183           HE1      TYR 183 -14.480  -2.959   7.666
  634    HE2  TYR 183           HE2      TYR 183 -17.485  -5.266   5.702
  635    HH   TYR 183           HH       TYR 183 -15.542  -6.109   7.002
  636    H    ASN 184           HN       ASN 184 -14.637  -2.785   2.488
  637    HA   ASN 184           HA       ASN 184 -12.496  -1.556   3.967
  638   1HB   ASN 184          HB2       ASN 184 -12.414  -4.047   2.259
  639   2HB   ASN 184          HB3       ASN 184 -11.220  -3.564   3.455
  640   1HD2  ASN 184          HD21      ASN 184 -11.685  -3.815   5.619
  641   2HD2  ASN 184          HD22      ASN 184 -13.030  -4.736   6.175
  642    H    ALA 185           HN       ALA 185 -13.220  -2.229   0.599
  643    HA   ALA 185           HA       ALA 185 -10.913  -1.317  -0.677
  644   1HB   ALA 185          HB1       ALA 185 -13.784  -1.001  -1.534
  645   2HB   ALA 185          HB2       ALA 185 -12.370  -0.818  -2.577
  646   3HB   ALA 185          HB3       ALA 185 -12.741  -2.387  -1.859
  647    H    ASP 186           HN       ASP 186 -13.841   0.479   0.200
  648    HA   ASP 186           HA       ASP 186 -12.929   3.084  -0.540
  649   1HB   ASP 186          HB2       ASP 186 -15.353   2.377  -0.158
  650   2HB   ASP 186          HB3       ASP 186 -14.992   2.378   1.561
  651    H    ILE 187           HN       ILE 187 -12.858   1.555   2.704
  652    HA   ILE 187           HA       ILE 187 -11.672   3.665   3.977
  653    HB   ILE 187           HB       ILE 187 -11.036   0.725   4.391
  654   1HG1  ILE 187          HG12      ILE 187 -13.017   2.598   5.726
  655   2HG1  ILE 187          HG13      ILE 187 -13.424   1.340   4.568
  656   1HG2  ILE 187          HG21      ILE 187 -10.340   1.405   6.637
  657   2HG2  ILE 187          HG22      ILE 187  -9.338   2.159   5.397
  658   3HG2  ILE 187          HG23      ILE 187 -10.593   3.096   6.207
  659   1HD1  ILE 187          HD11      ILE 187 -12.221   0.893   7.285
  660   2HD1  ILE 187          HD12      ILE 187 -13.916   0.673   6.847
  661   3HD1  ILE 187          HD13      ILE 187 -12.680  -0.357   6.128
  662    H    LEU 188           HN       LEU 188  -9.904   1.021   2.358
  663    HA   LEU 188           HA       LEU 188  -7.330   1.985   2.784
  664   1HB   LEU 188          HB2       LEU 188  -8.344   0.397   0.434
  665   2HB   LEU 188          HB3       LEU 188  -6.665   0.578   0.909
  666    HG   LEU 188           HG       LEU 188  -8.745  -0.680   2.694
  667   1HD1  LEU 188          HD11      LEU 188  -8.538  -1.975   0.622
  668   2HD1  LEU 188          HD12      LEU 188  -6.792  -2.046   0.849
  669   3HD1  LEU 188          HD13      LEU 188  -7.866  -2.839   2.003
  670   1HD2  LEU 188          HD21      LEU 188  -6.825  -1.548   3.884
  671   2HD2  LEU 188          HD22      LEU 188  -5.733  -0.783   2.727
  672   3HD2  LEU 188          HD23      LEU 188  -6.735   0.211   3.787
  673    H    LEU 189           HN       LEU 189  -9.403   2.427  -0.094
  674    HA   LEU 189           HA       LEU 189  -7.440   3.907  -1.554
  675   1HB   LEU 189          HB2       LEU 189  -9.463   2.630  -2.431
  676   2HB   LEU 189          HB3       LEU 189 -10.386   4.061  -2.009
  677    HG   LEU 189           HG       LEU 189  -8.937   5.413  -3.494
  678   1HD1  LEU 189          HD11      LEU 189  -6.890   4.153  -3.466
  679   2HD1  LEU 189          HD12      LEU 189  -7.698   2.740  -4.158
  680   3HD1  LEU 189          HD13      LEU 189  -7.484   4.198  -5.129
  681   1HD2  LEU 189          HD21      LEU 189 -10.216   3.042  -4.840
  682   2HD2  LEU 189          HD22      LEU 189 -11.053   4.497  -4.302
  683   3HD2  LEU 189          HD23      LEU 189  -9.853   4.595  -5.591
  684    H    SER 190           HN       SER 190 -10.370   4.937   0.256
  685    HA   SER 190           HA       SER 190 -10.087   7.650  -0.114
  686   1HB   SER 190          HB2       SER 190 -12.043   6.548   0.948
  687   2HB   SER 190          HB3       SER 190 -11.079   6.289   2.402
  688    HG   SER 190           HG       SER 190 -10.774   8.698   2.270
  689    H    HIS 191           HN       HIS 191  -8.132   5.560   1.844
  690    HA   HIS 191           HA       HIS 191  -6.944   7.785   3.265
  691   1HB   HIS 191          HB2       HIS 191  -6.423   4.841   3.152
  692   2HB   HIS 191          HB3       HIS 191  -5.231   5.922   3.850
  693    HD2  HIS 191           HD2      HIS 191  -6.541   7.664   5.920
  694    HE1  HIS 191           HE1      HIS 191  -9.079   4.450   6.973
  695    HE2  HIS 191           HE2      HIS 191  -8.017   6.607   7.773
  696    H    LEU 192           HN       LEU 192  -6.225   5.715   0.536
  697    HA   LEU 192           HA       LEU 192  -3.550   6.448   0.260
  698   1HB   LEU 192          HB2       LEU 192  -4.793   4.466  -0.760
  699   2HB   LEU 192          HB3       LEU 192  -5.327   5.581  -2.008
  700    HG   LEU 192           HG       LEU 192  -2.632   6.003  -2.005
  701   1HD1  LEU 192          HD11      LEU 192  -3.098   3.082  -1.460
  702   2HD1  LEU 192          HD12      LEU 192  -1.579   3.796  -2.007
  703   3HD1  LEU 192          HD13      LEU 192  -2.236   4.224  -0.427
  704   1HD2  LEU 192          HD21      LEU 192  -4.176   4.000  -3.645
  705   2HD2  LEU 192          HD22      LEU 192  -4.009   5.726  -3.976
  706   3HD2  LEU 192          HD23      LEU 192  -2.597   4.674  -4.057
  707    H    HIS 193           HN       HIS 193  -6.513   7.592  -1.228
  708    HA   HIS 193           HA       HIS 193  -5.212   9.263  -3.148
  709   1HB   HIS 193          HB2       HIS 193  -7.313   9.786  -3.974
  710   2HB   HIS 193          HB3       HIS 193  -7.611   8.225  -3.223
  711    HD2  HIS 193           HD2      HIS 193  -8.485   8.749  -0.358
  712    HE1  HIS 193           HE1      HIS 193 -10.859  11.932  -1.822
  713    HE2  HIS 193           HE2      HIS 193 -10.293  10.531   0.216
  714    H    TYR 194           HN       TYR 194  -6.065   9.674   0.176
  715    HA   TYR 194           HA       TYR 194  -6.017  12.570   0.020
  716   1HB   TYR 194          HB2       TYR 194  -7.543  11.740   1.647
  717   2HB   TYR 194          HB3       TYR 194  -6.372  10.581   2.267
  718    HD1  TYR 194           HD1      TYR 194  -7.134  14.200   2.051
  719    HD2  TYR 194           HD2      TYR 194  -4.951  11.152   4.064
  720    HE1  TYR 194           HE1      TYR 194  -6.505  15.814   3.793
  721    HE2  TYR 194           HE2      TYR 194  -4.310  12.758   5.811
  722    HH   TYR 194           HH       TYR 194  -5.718  15.948   5.975
  723    H    LEU 195           HN       LEU 195  -4.020   9.844   0.996
  724    HA   LEU 195           HA       LEU 195  -1.883  11.141   2.142
  725   1HB   LEU 195          HB2       LEU 195  -2.234   8.614   0.611
  726   2HB   LEU 195          HB3       LEU 195  -0.624   9.120   1.103
  727    HG   LEU 195           HG       LEU 195  -2.963   8.693   2.960
  728   1HD1  LEU 195          HD11      LEU 195  -2.178   6.600   1.992
  729   2HD1  LEU 195          HD12      LEU 195  -0.528   6.985   2.488
  730   3HD1  LEU 195          HD13      LEU 195  -1.774   6.708   3.706
  731   1HD2  LEU 195          HD21      LEU 195  -0.063   9.295   3.519
  732   2HD2  LEU 195          HD22      LEU 195  -1.433  10.365   3.808
  733   3HD2  LEU 195          HD23      LEU 195  -1.269   8.875   4.735
  734    H    ARG 196           HN       ARG 196  -2.560  10.555  -1.274
  735    HA   ARG 196           HA       ARG 196  -0.149  11.940  -2.190
  736   1HB   ARG 196          HB2       ARG 196  -1.363  11.605  -4.427
  737   2HB   ARG 196          HB3       ARG 196  -0.536  10.270  -3.663
  738   1HG   ARG 196          HG2       ARG 196  -2.700   9.480  -2.808
  739   2HG   ARG 196          HG3       ARG 196  -3.491  10.801  -3.674
  740   1HD   ARG 196          HD2       ARG 196  -1.804   8.633  -4.919
  741   2HD   ARG 196          HD3       ARG 196  -3.560   8.685  -4.920
  742    HE   ARG 196           HE       ARG 196  -1.863  10.702  -6.263
  743   1HH1  ARG 196          HH12      ARG 196  -4.728   8.677  -6.173
  744   2HH1  ARG 196          HH11      ARG 196  -5.324   9.236  -7.705
  745   1HH2  ARG 196          HH22      ARG 196  -2.659  11.420  -8.289
  746   2HH2  ARG 196          HH21      ARG 196  -4.146  10.770  -8.904
  747    H    GLU 197           HN       GLU 197  -3.053  13.014  -1.061
  748    HA   GLU 197           HA       GLU 197  -3.438  15.229  -2.773
  749   1HB   GLU 197          HB2       GLU 197  -5.018  14.498  -0.959
  750   2HB   GLU 197          HB3       GLU 197  -3.888  15.151   0.221
  751   1HG   GLU 197          HG2       GLU 197  -4.143  17.367  -0.777
  752   2HG   GLU 197          HG3       GLU 197  -5.293  16.699  -1.934
  753    H    THR 198           HN       THR 198  -1.055  14.395  -0.443
  754    HA   THR 198           HA       THR 198   0.356  16.919  -1.003
  755    HB   THR 198           HB       THR 198   1.447  16.522   1.311
  756    HG1  THR 198           HG1      THR 198   0.362  14.395   1.490
  757   1HG2  THR 198          HG21      THR 198  -1.451  17.363   1.166
  758   2HG2  THR 198          HG22      THR 198  -0.063  18.395   0.828
  759   3HG2  THR 198          HG23      THR 198  -0.319  17.770   2.458
  760    HA   PRO 199           HA       PRO 199   2.544  13.026  -2.324
  761   1HB   PRO 199          HB2       PRO 199   3.293  13.829  -4.777
  762   2HB   PRO 199          HB3       PRO 199   1.642  13.298  -4.433
  763   1HG   PRO 199          HG2       PRO 199   2.729  16.085  -4.624
  764   2HG   PRO 199          HG3       PRO 199   1.241  15.417  -5.324
  765   1HD   PRO 199          HD2       PRO 199   1.267  16.860  -3.024
  766   2HD   PRO 199          HD3       PRO 199   0.090  15.571  -3.341
  767    H    LEU 200           HN       LEU 200   4.792  12.564  -2.932
  768    HA   LEU 200           HA       LEU 200   6.623  14.495  -1.834
  769   1HB   LEU 200          HB2       LEU 200   8.228  12.828  -1.766
  770   2HB   LEU 200          HB3       LEU 200   6.758  11.907  -1.582
  771    HG   LEU 200           HG       LEU 200   8.137  10.630  -2.962
  772   1HD1  LEU 200          HD11      LEU 200   5.877  10.680  -3.789
  773   2HD1  LEU 200          HD12      LEU 200   6.257  12.072  -4.805
  774   3HD1  LEU 200          HD13      LEU 200   7.023  10.515  -5.120
  775   1HD2  LEU 200          HD21      LEU 200   9.802  12.295  -3.512
  776   2HD2  LEU 200          HD22      LEU 200   9.276  11.438  -4.962
  777   3HD2  LEU 200          HD23      LEU 200   8.686  13.068  -4.638
  778    HA   PRO 201           HA       PRO 201   7.236  16.388  -5.746
  779   1HB   PRO 201          HB2       PRO 201   9.241  18.109  -4.721
  780   2HB   PRO 201          HB3       PRO 201   7.511  18.432  -4.833
  781   1HG   PRO 201          HG2       PRO 201   8.972  18.130  -2.471
  782   2HG   PRO 201          HG3       PRO 201   7.210  18.065  -2.616
  783   1HD   PRO 201          HD2       PRO 201   9.183  15.836  -2.431
  784   2HD   PRO 201          HD3       PRO 201   7.530  15.940  -1.788
  Start of MODEL    2
    1   1H    GLY 105           H1       GLY 105  18.283  -7.662  15.702
    2   2H    GLY 105           H2       GLY 105  18.449  -7.724  17.391
    3   3H    GLY 105           H3       GLY 105  16.918  -7.516  16.694
    4   1HA   GLY 105          HA2       GLY 105  18.605  -9.937  16.417
    5   2HA   GLY 105          HA1       GLY 105  17.203  -9.787  17.470
    6    H    SER 106           HN       SER 106  17.569 -11.687  15.321
    7    HA   SER 106           HA       SER 106  16.466 -12.594  13.558
    8   1HB   SER 106          HB2       SER 106  14.495 -11.864  15.116
    9   2HB   SER 106          HB3       SER 106  14.238 -10.598  13.917
   10    HG   SER 106           HG       SER 106  13.850 -12.144  12.364
   11    H    HIS 107           HN       HIS 107  18.035 -11.851  12.106
   12    HA   HIS 107           HA       HIS 107  17.995  -9.105  11.221
   13   1HB   HIS 107          HB2       HIS 107  19.803 -11.371  10.364
   14   2HB   HIS 107          HB3       HIS 107  20.055  -9.661  10.032
   15    HD2  HIS 107           HD2      HIS 107  20.409 -12.217  12.931
   16    HE1  HIS 107           HE1      HIS 107  22.072  -8.523  14.156
   17    HE2  HIS 107           HE2      HIS 107  21.957 -11.009  14.637
   18    H    MET 108           HN       MET 108  16.120 -11.526  10.323
   19    HA   MET 108           HA       MET 108  14.621 -11.732   8.642
   20   1HB   MET 108          HB2       MET 108  15.987  -9.280   7.535
   21   2HB   MET 108          HB3       MET 108  14.571 -10.028   6.811
   22   1HG   MET 108          HG2       MET 108  13.273  -9.581   8.795
   23   2HG   MET 108          HG3       MET 108  14.693  -8.919   9.604
   24   1HE   MET 108          HE1       MET 108  13.207  -6.769  10.178
   25   2HE   MET 108          HE2       MET 108  12.397  -5.786   8.958
   26   3HE   MET 108          HE3       MET 108  11.838  -7.427   9.282
   27    H    GLU 109           HN       GLU 109  14.440 -12.982   6.909
   28    HA   GLU 109           HA       GLU 109  16.888 -13.596   5.386
   29   1HB   GLU 109          HB2       GLU 109  14.517 -15.222   6.188
   30   2HB   GLU 109          HB3       GLU 109  15.261 -15.580   4.637
   31   1HG   GLU 109          HG2       GLU 109  16.120 -17.023   6.390
   32   2HG   GLU 109          HG3       GLU 109  17.388 -15.997   5.727
   33    H    GLU 110           HN       GLU 110  13.703 -12.321   5.264
   34    HA   GLU 110           HA       GLU 110  13.486 -12.508   2.384
   35   1HB   GLU 110          HB2       GLU 110  11.401 -11.105   2.752
   36   2HB   GLU 110          HB3       GLU 110  11.405 -12.705   3.473
   37   1HG   GLU 110          HG2       GLU 110  12.158 -10.272   5.053
   38   2HG   GLU 110          HG3       GLU 110  10.476 -10.752   4.838
   39    H    LYS 111           HN       LYS 111  15.580 -11.389   2.150
   40    HA   LYS 111           HA       LYS 111  15.530  -8.510   2.605
   41   1HB   LYS 111          HB2       LYS 111  17.520 -10.064   3.069
   42   2HB   LYS 111          HB3       LYS 111  17.749 -10.100   1.327
   43   1HG   LYS 111          HG2       LYS 111  18.190  -7.756   1.264
   44   2HG   LYS 111          HG3       LYS 111  17.719  -7.569   2.957
   45   1HD   LYS 111          HD2       LYS 111  20.057  -9.206   1.967
   46   2HD   LYS 111          HD3       LYS 111  20.167  -7.585   2.662
   47   1HE   LYS 111          HE2       LYS 111  19.349  -8.362   4.772
   48   2HE   LYS 111          HE3       LYS 111  18.967  -9.945   4.100
   49   1HZ   LYS 111          HZ1       LYS 111  20.988 -10.031   5.377
   50   2HZ   LYS 111          HZ2       LYS 111  21.689  -8.801   4.448
   51   3HZ   LYS 111          HZ3       LYS 111  21.343 -10.306   3.741
   52    H    HIS 112           HN       HIS 112  13.625  -9.348   0.829
   53    HA   HIS 112           HA       HIS 112  14.617  -8.844  -1.872
   54   1HB   HIS 112          HB2       HIS 112  11.813  -9.520  -0.947
   55   2HB   HIS 112          HB3       HIS 112  12.392  -9.512  -2.609
   56    HD2  HIS 112           HD2      HIS 112  13.981 -11.695  -3.340
   57    HE1  HIS 112           HE1      HIS 112  13.168 -13.884   0.188
   58    HE2  HIS 112           HE2      HIS 112  14.318 -13.937  -2.072
   59    H    MET 113           HN       MET 113  13.661  -7.076   0.686
   60    HA   MET 113           HA       MET 113  11.946  -5.146  -0.654
   61   1HB   MET 113          HB2       MET 113  13.258  -4.951   2.071
   62   2HB   MET 113          HB3       MET 113  11.880  -4.032   1.490
   63   1HG   MET 113          HG2       MET 113  10.445  -5.874   1.643
   64   2HG   MET 113          HG3       MET 113  11.787  -7.011   1.777
   65   1HE   MET 113          HE1       MET 113  10.011  -7.267   5.281
   66   2HE   MET 113          HE2       MET 113   9.271  -7.068   3.694
   67   3HE   MET 113          HE3       MET 113  10.622  -8.183   3.903
   68    HA   PRO 114           HA       PRO 114  15.445  -2.546  -1.818
   69   1HB   PRO 114          HB2       PRO 114  13.396  -0.494  -2.278
   70   2HB   PRO 114          HB3       PRO 114  14.497  -1.247  -3.435
   71   1HG   PRO 114          HG2       PRO 114  11.852  -1.746  -3.453
   72   2HG   PRO 114          HG3       PRO 114  13.049  -2.981  -3.888
   73   1HD   PRO 114          HD2       PRO 114  11.571  -2.599  -1.307
   74   2HD   PRO 114          HD3       PRO 114  11.903  -4.101  -2.197
   75    HA   PRO 115           HA       PRO 115  15.919  -0.320   2.026
   76   1HB   PRO 115          HB2       PRO 115  18.011   1.257   1.248
   77   2HB   PRO 115          HB3       PRO 115  18.190  -0.439   1.709
   78   1HG   PRO 115          HG2       PRO 115  17.995   0.770  -1.024
   79   2HG   PRO 115          HG3       PRO 115  19.092  -0.494  -0.437
   80   1HD   PRO 115          HD2       PRO 115  16.905  -1.084  -1.877
   81   2HD   PRO 115          HD3       PRO 115  17.463  -2.139  -0.562
   82    HA   PRO 116           HA       PRO 116  13.959   3.673   2.312
   83   1HB   PRO 116          HB2       PRO 116  16.722   4.845   2.199
   84   2HB   PRO 116          HB3       PRO 116  15.353   5.314   3.212
   85   1HG   PRO 116          HG2       PRO 116  17.343   3.715   4.113
   86   2HG   PRO 116          HG3       PRO 116  15.672   3.584   4.686
   87   1HD   PRO 116          HD2       PRO 116  17.208   1.701   3.082
   88   2HD   PRO 116          HD3       PRO 116  15.621   1.481   3.845
   89    H    ASN 117           HN       ASN 117  12.927   3.919   0.403
   90    HA   ASN 117           HA       ASN 117  14.412   4.045  -2.060
   91   1HB   ASN 117          HB2       ASN 117  12.172   2.792  -1.552
   92   2HB   ASN 117          HB3       ASN 117  11.430   4.361  -1.892
   93   1HD2  ASN 117          HD21      ASN 117  14.347   3.277  -3.460
   94   2HD2  ASN 117          HD22      ASN 117  13.658   3.049  -5.029
   95    H    MET 118           HN       MET 118  12.191   6.174  -0.301
   96    HA   MET 118           HA       MET 118  12.629   8.160  -2.417
   97   1HB   MET 118          HB2       MET 118  10.164   7.604  -0.774
   98   2HB   MET 118          HB3       MET 118  10.353   9.015  -1.814
   99   1HG   MET 118          HG2       MET 118  10.419   6.134  -2.675
  100   2HG   MET 118          HG3       MET 118   9.133   7.309  -2.993
  101   1HE   MET 118          HE1       MET 118  11.261   5.400  -4.971
  102   2HE   MET 118          HE2       MET 118   9.753   6.101  -5.560
  103   3HE   MET 118          HE3       MET 118  11.270   6.455  -6.386
  104    H    THR 119           HN       THR 119  12.593  10.329  -1.908
  105    HA   THR 119           HA       THR 119  14.396  11.009   0.089
  106    HB   THR 119           HB       THR 119  12.569  13.056  -1.111
  107    HG1  THR 119           HG1      THR 119  13.207  12.597  -3.097
  108   1HG2  THR 119          HG21      THR 119  14.410  13.781   0.336
  109   2HG2  THR 119          HG22      THR 119  14.672  14.301  -1.328
  110   3HG2  THR 119          HG23      THR 119  15.557  12.918  -0.687
  111    H    THR 120           HN       THR 120  10.956  10.774   0.262
  112    HA   THR 120           HA       THR 120  10.987  11.566   3.043
  113    HB   THR 120           HB       THR 120   9.180  13.051   1.121
  114    HG1  THR 120           HG1      THR 120  11.758  13.559   1.984
  115   1HG2  THR 120          HG21      THR 120   8.266  12.771   3.378
  116   2HG2  THR 120          HG22      THR 120   8.682  14.455   3.065
  117   3HG2  THR 120          HG23      THR 120   9.741  13.459   4.062
  118    H    ASN 121           HN       ASN 121   9.648  10.234   4.121
  119    HA   ASN 121           HA       ASN 121   7.570   8.790   2.668
  120   1HB   ASN 121          HB2       ASN 121   7.276   7.491   4.729
  121   2HB   ASN 121          HB3       ASN 121   8.968   7.508   4.250
  122   1HD2  ASN 121          HD21      ASN 121   7.521   7.160   6.862
  123   2HD2  ASN 121          HD22      ASN 121   8.308   8.268   7.938
  124    H    GLU 122           HN       GLU 122   5.400   8.581   3.986
  125    HA   GLU 122           HA       GLU 122   4.276  11.132   4.226
  126   1HB   GLU 122          HB2       GLU 122   2.400   9.833   5.516
  127   2HB   GLU 122          HB3       GLU 122   2.629   9.643   3.788
  128   1HG   GLU 122          HG2       GLU 122   2.798   7.468   4.075
  129   2HG   GLU 122          HG3       GLU 122   4.256   7.716   5.032
  130    H    ARG 123           HN       ARG 123   3.918   9.112   7.136
  131    HA   ARG 123           HA       ARG 123   5.398  11.115   8.676
  132   1HB   ARG 123          HB2       ARG 123   2.455  10.578   9.119
  133   2HB   ARG 123          HB3       ARG 123   3.481  11.410  10.270
  134   1HG   ARG 123          HG2       ARG 123   2.807  12.343   7.488
  135   2HG   ARG 123          HG3       ARG 123   2.154  12.981   8.996
  136   1HD   ARG 123          HD2       ARG 123   5.019  13.102   8.064
  137   2HD   ARG 123          HD3       ARG 123   3.888  14.446   8.171
  138    HE   ARG 123           HE       ARG 123   3.981  13.535  10.714
  139   1HH1  ARG 123          HH12      ARG 123   6.438  14.437   8.402
  140   2HH1  ARG 123          HH11      ARG 123   7.578  14.962   9.605
  141   1HH2  ARG 123          HH22      ARG 123   5.469  14.204  12.317
  142   2HH2  ARG 123          HH21      ARG 123   7.019  14.838  11.837
  143    H    ARG 124           HN       ARG 124   3.604   8.100   8.607
  144    HA   ARG 124           HA       ARG 124   4.811   7.343  11.173
  145   1HB   ARG 124          HB2       ARG 124   2.594   6.024  11.456
  146   2HB   ARG 124          HB3       ARG 124   2.641   7.746  11.805
  147   1HG   ARG 124          HG2       ARG 124   0.757   7.703  10.546
  148   2HG   ARG 124          HG3       ARG 124   1.936   7.889   9.240
  149   1HD   ARG 124          HD2       ARG 124   1.970   5.427   9.005
  150   2HD   ARG 124          HD3       ARG 124   0.687   5.320  10.207
  151    HE   ARG 124           HE       ARG 124   0.444   6.498   7.509
  152   1HH1  ARG 124          HH12      ARG 124  -1.024   5.262  10.451
  153   2HH1  ARG 124          HH11      ARG 124  -2.621   5.143   9.777
  154   1HH2  ARG 124          HH22      ARG 124  -1.662   6.356   6.616
  155   2HH2  ARG 124          HH21      ARG 124  -2.981   5.781   7.587
  156    H    VAL 125           HN       VAL 125   4.053   6.352   7.929
  157    HA   VAL 125           HA       VAL 125   5.395   3.770   8.511
  158    HB   VAL 125           HB       VAL 125   4.113   4.296   5.858
  159   1HG1  VAL 125          HG11      VAL 125   5.483   2.323   6.152
  160   2HG1  VAL 125          HG12      VAL 125   4.465   1.800   7.491
  161   3HG1  VAL 125          HG13      VAL 125   3.800   1.885   5.860
  162   1HG2  VAL 125          HG21      VAL 125   2.606   3.568   8.337
  163   2HG2  VAL 125          HG22      VAL 125   2.244   4.825   7.148
  164   3HG2  VAL 125          HG23      VAL 125   2.050   3.122   6.724
  165    H    ILE 126           HN       ILE 126   7.381   3.381   7.498
  166    HA   ILE 126           HA       ILE 126   8.625   5.392   5.947
  167    HB   ILE 126           HB       ILE 126   9.341   2.453   6.163
  168   1HG1  ILE 126          HG12      ILE 126  11.310   3.455   7.466
  169   2HG1  ILE 126          HG13      ILE 126  10.385   4.948   7.515
  170   1HG2  ILE 126          HG21      ILE 126  10.962   4.696   4.953
  171   2HG2  ILE 126          HG22      ILE 126  11.480   3.021   5.146
  172   3HG2  ILE 126          HG23      ILE 126  10.154   3.415   4.047
  173   1HD1  ILE 126          HD11      ILE 126   9.427   2.322   8.628
  174   2HD1  ILE 126          HD12      ILE 126  10.224   3.585   9.568
  175   3HD1  ILE 126          HD13      ILE 126   8.666   3.903   8.809
  176    H    VAL 127           HN       VAL 127   6.529   5.596   4.704
  177    HA   VAL 127           HA       VAL 127   7.054   4.461   2.056
  178    HB   VAL 127           HB       VAL 127   4.663   4.223   1.594
  179   1HG1  VAL 127          HG11      VAL 127   5.932   2.306   2.529
  180   2HG1  VAL 127          HG12      VAL 127   5.320   2.730   4.123
  181   3HG1  VAL 127          HG13      VAL 127   4.201   2.237   2.852
  182   1HG2  VAL 127          HG21      VAL 127   3.505   5.736   2.882
  183   2HG2  VAL 127          HG22      VAL 127   3.133   4.222   3.701
  184   3HG2  VAL 127          HG23      VAL 127   4.363   5.304   4.357
  185    HA   PRO 128           HA       PRO 128   7.288   8.817   1.199
  186   1HB   PRO 128          HB2       PRO 128   6.606   8.619  -1.491
  187   2HB   PRO 128          HB3       PRO 128   8.239   8.475  -0.833
  188   1HG   PRO 128          HG2       PRO 128   6.290   6.355  -1.568
  189   2HG   PRO 128          HG3       PRO 128   8.041   6.384  -1.824
  190   1HD   PRO 128          HD2       PRO 128   7.004   4.924   0.139
  191   2HD   PRO 128          HD3       PRO 128   8.494   5.851   0.410
  192    H    ALA 129           HN       ALA 129   5.963  10.468   1.076
  193    HA   ALA 129           HA       ALA 129   3.336  10.320   1.765
  194   1HB   ALA 129          HB1       ALA 129   4.640  12.563   0.243
  195   2HB   ALA 129          HB2       ALA 129   3.184  12.678   1.235
  196   3HB   ALA 129          HB3       ALA 129   4.735  12.303   1.984
  197    H    ASP 130           HN       ASP 130   4.602  10.226  -1.524
  198    HA   ASP 130           HA       ASP 130   1.896  10.005  -2.629
  199   1HB   ASP 130          HB2       ASP 130   4.136  11.089  -3.721
  200   2HB   ASP 130          HB3       ASP 130   4.286   9.437  -4.286
  201    HA   PRO 131           HA       PRO 131   2.136   5.655  -1.885
  202   1HB   PRO 131          HB2       PRO 131  -0.554   5.679  -3.018
  203   2HB   PRO 131          HB3       PRO 131  -0.034   5.263  -1.384
  204   1HG   PRO 131          HG2       PRO 131  -1.441   7.507  -1.941
  205   2HG   PRO 131          HG3       PRO 131  -0.262   7.415  -0.625
  206   1HD   PRO 131          HD2       PRO 131   0.032   8.617  -3.337
  207   2HD   PRO 131          HD3       PRO 131   0.619   9.208  -1.770
  208    H    THR 132           HN       THR 132   2.896   7.089  -4.515
  209    HA   THR 132           HA       THR 132   2.072   5.088  -6.428
  210    HB   THR 132           HB       THR 132   3.361   6.585  -7.999
  211    HG1  THR 132           HG1      THR 132   3.816   8.694  -7.178
  212   1HG2  THR 132          HG21      THR 132   1.072   7.821  -6.468
  213   2HG2  THR 132          HG22      THR 132   0.927   6.712  -7.833
  214   3HG2  THR 132          HG23      THR 132   1.618   8.317  -8.071
  215    H    LEU 133           HN       LEU 133   4.907   6.322  -4.803
  216    HA   LEU 133           HA       LEU 133   6.591   4.355  -6.163
  217   1HB   LEU 133          HB2       LEU 133   7.573   6.466  -4.280
  218   2HB   LEU 133          HB3       LEU 133   8.390   5.762  -5.664
  219    HG   LEU 133           HG       LEU 133   6.126   7.766  -5.791
  220   1HD1  LEU 133          HD11      LEU 133   7.842   9.299  -6.608
  221   2HD1  LEU 133          HD12      LEU 133   8.183   8.740  -4.968
  222   3HD1  LEU 133          HD13      LEU 133   9.071   8.063  -6.334
  223   1HD2  LEU 133          HD21      LEU 133   7.818   6.566  -7.982
  224   2HD2  LEU 133          HD22      LEU 133   6.107   6.247  -7.697
  225   3HD2  LEU 133          HD23      LEU 133   6.635   7.858  -8.182
  226    H    TRP 134           HN       TRP 134   4.773   4.225  -3.449
  227    HA   TRP 134           HA       TRP 134   6.404   2.880  -1.719
  228   1HB   TRP 134          HB2       TRP 134   3.613   2.181  -2.622
  229   2HB   TRP 134          HB3       TRP 134   4.398   1.477  -1.214
  230    HD1  TRP 134           HD1      TRP 134   5.472   4.867  -1.133
  231    HE1  TRP 134           HE1      TRP 134   3.987   6.367   0.312
  232    HE3  TRP 134           HE3      TRP 134   1.480   1.735  -0.661
  233    HZ2  TRP 134           HZ2      TRP 134   1.424   6.207   1.543
  234    HZ3  TRP 134           HZ3      TRP 134  -0.447   2.469   0.678
  235    HH2  TRP 134           HH2      TRP 134  -0.474   4.659   1.759
  236    H    SER 135           HN       SER 135   7.665   1.106  -1.952
  237    HA   SER 135           HA       SER 135   7.717  -0.311  -4.400
  238   1HB   SER 135          HB2       SER 135   9.716  -0.014  -2.945
  239   2HB   SER 135          HB3       SER 135   8.987  -1.108  -1.773
  240    HG   SER 135           HG       SER 135   9.814  -1.691  -4.420
  241    H    THR 136           HN       THR 136   7.378  -2.476  -4.689
  242    HA   THR 136           HA       THR 136   5.090  -3.777  -4.274
  243    HB   THR 136           HB       THR 136   6.236  -5.962  -4.335
  244    HG1  THR 136           HG1      THR 136   8.021  -5.806  -3.089
  245   1HG2  THR 136          HG21      THR 136   7.853  -5.278  -6.299
  246   2HG2  THR 136          HG22      THR 136   7.075  -3.698  -6.086
  247   3HG2  THR 136          HG23      THR 136   6.103  -5.126  -6.467
  248    H    ASP 137           HN       ASP 137   7.691  -3.789  -1.852
  249    HA   ASP 137           HA       ASP 137   6.076  -5.372  -0.025
  250   1HB   ASP 137          HB2       ASP 137   8.531  -5.763  -0.157
  251   2HB   ASP 137          HB3       ASP 137   8.787  -4.142   0.491
  252    H    HIS 138           HN       HIS 138   7.198  -1.973  -0.377
  253    HA   HIS 138           HA       HIS 138   6.296  -1.128   2.125
  254   1HB   HIS 138          HB2       HIS 138   6.772   0.322  -0.466
  255   2HB   HIS 138          HB3       HIS 138   6.344   1.138   1.027
  256    HD2  HIS 138           HD2      HIS 138   8.293   0.852   3.102
  257    HE1  HIS 138           HE1      HIS 138  11.381   0.030   0.326
  258    HE2  HIS 138           HE2      HIS 138  10.838   0.440   2.765
  259    H    VAL 139           HN       VAL 139   4.430  -2.217  -0.491
  260    HA   VAL 139           HA       VAL 139   2.361  -0.217  -0.032
  261    HB   VAL 139           HB       VAL 139   2.790  -2.287  -2.165
  262   1HG1  VAL 139          HG11      VAL 139   0.616  -2.958  -1.241
  263   2HG1  VAL 139          HG12      VAL 139   0.035  -1.301  -1.406
  264   3HG1  VAL 139          HG13      VAL 139   0.436  -2.243  -2.842
  265   1HG2  VAL 139          HG21      VAL 139   3.279   0.051  -2.598
  266   2HG2  VAL 139          HG22      VAL 139   1.931  -0.502  -3.595
  267   3HG2  VAL 139          HG23      VAL 139   1.622   0.485  -2.166
  268    H    ARG 140           HN       ARG 140   3.300  -3.515   0.128
  269    HA   ARG 140           HA       ARG 140   1.014  -4.641   1.348
  270   1HB   ARG 140          HB2       ARG 140   2.872  -5.825   0.100
  271   2HB   ARG 140          HB3       ARG 140   3.885  -5.571   1.509
  272   1HG   ARG 140          HG2       ARG 140   1.273  -6.920   1.837
  273   2HG   ARG 140          HG3       ARG 140   2.615  -7.820   1.138
  274   1HD   ARG 140          HD2       ARG 140   2.498  -6.477   3.837
  275   2HD   ARG 140          HD3       ARG 140   2.568  -8.207   3.515
  276    HE   ARG 140           HE       ARG 140   4.833  -6.906   2.408
  277   1HH1  ARG 140          HH12      ARG 140   3.484  -8.003   5.457
  278   2HH1  ARG 140          HH11      ARG 140   5.041  -8.106   6.237
  279   1HH2  ARG 140          HH22      ARG 140   6.873  -7.025   3.438
  280   2HH2  ARG 140          HH21      ARG 140   6.945  -7.539   5.108
  281    H    GLN 141           HN       GLN 141   3.784  -2.887   2.427
  282    HA   GLN 141           HA       GLN 141   3.724  -3.522   5.147
  283   1HB   GLN 141          HB2       GLN 141   5.670  -2.476   4.251
  284   2HB   GLN 141          HB3       GLN 141   4.738  -1.119   3.640
  285   1HG   GLN 141          HG2       GLN 141   4.448  -0.199   5.786
  286   2HG   GLN 141          HG3       GLN 141   4.985  -1.701   6.570
  287   1HE2  GLN 141          HE21      GLN 141   7.164  -2.090   4.636
  288   2HE2  GLN 141          HE22      GLN 141   8.393  -0.964   5.085
  289    H    TRP 142           HN       TRP 142   2.631  -0.440   3.691
  290    HA   TRP 142           HA       TRP 142   1.051   0.327   5.846
  291   1HB   TRP 142          HB2       TRP 142   1.597   1.822   3.949
  292   2HB   TRP 142          HB3       TRP 142   0.505   0.901   2.924
  293    HD1  TRP 142           HD1      TRP 142   0.426   3.213   6.003
  294    HE1  TRP 142           HE1      TRP 142  -1.945   4.170   6.252
  295    HE3  TRP 142           HE3      TRP 142  -1.890   0.621   2.251
  296    HZ2  TRP 142           HZ2      TRP 142  -4.461   3.864   5.044
  297    HZ3  TRP 142           HZ3      TRP 142  -4.278   1.025   1.842
  298    HH2  TRP 142           HH2      TRP 142  -5.540   2.622   3.206
  299    H    LEU 143           HN       LEU 143   0.008  -1.177   2.860
  300    HA   LEU 143           HA       LEU 143  -2.589  -1.608   3.308
  301   1HB   LEU 143          HB2       LEU 143  -1.369  -2.282   1.301
  302   2HB   LEU 143          HB3       LEU 143  -0.704  -3.650   2.160
  303    HG   LEU 143           HG       LEU 143  -3.239  -4.281   2.454
  304   1HD1  LEU 143          HD11      LEU 143  -4.166  -2.277   1.511
  305   2HD1  LEU 143          HD12      LEU 143  -3.238  -2.508   0.025
  306   3HD1  LEU 143          HD13      LEU 143  -4.525  -3.639   0.450
  307   1HD2  LEU 143          HD21      LEU 143  -1.743  -4.597  -0.139
  308   2HD2  LEU 143          HD22      LEU 143  -1.541  -5.597   1.299
  309   3HD2  LEU 143          HD23      LEU 143  -3.071  -5.614   0.421
  310    H    GLU 144           HN       GLU 144  -0.065  -3.633   4.605
  311    HA   GLU 144           HA       GLU 144  -1.856  -5.403   6.049
  312   1HB   GLU 144          HB2       GLU 144   1.087  -5.085   6.007
  313   2HB   GLU 144          HB3       GLU 144   0.409  -5.656   7.529
  314   1HG   GLU 144          HG2       GLU 144  -0.868  -7.342   6.011
  315   2HG   GLU 144          HG3       GLU 144   0.391  -6.953   4.847
  316    H    TRP 145           HN       TRP 145   0.317  -2.849   7.088
  317    HA   TRP 145           HA       TRP 145  -0.576  -2.381   9.674
  318   1HB   TRP 145          HB2       TRP 145   1.421  -1.425   9.122
  319   2HB   TRP 145          HB3       TRP 145   0.861  -0.885   7.553
  320    HD1  TRP 145           HD1      TRP 145   0.706   1.571   7.346
  321    HE1  TRP 145           HE1      TRP 145   0.473   3.566   8.942
  322    HE3  TRP 145           HE3      TRP 145   0.025  -0.980  11.672
  323    HZ2  TRP 145           HZ2      TRP 145  -0.011   4.002  11.695
  324    HZ3  TRP 145           HZ3      TRP 145  -0.330   0.282  13.761
  325    HH2  TRP 145           HH2      TRP 145  -0.349   2.727  13.770
  326    H    ALA 146           HN       ALA 146  -2.394  -2.056   6.970
  327    HA   ALA 146           HA       ALA 146  -3.852   0.365   7.774
  328   1HB   ALA 146          HB1       ALA 146  -4.140  -1.352   5.308
  329   2HB   ALA 146          HB2       ALA 146  -5.021   0.142   5.631
  330   3HB   ALA 146          HB3       ALA 146  -3.271   0.181   5.416
  331    H    VAL 147           HN       VAL 147  -4.501  -3.013   6.817
  332    HA   VAL 147           HA       VAL 147  -6.961  -3.359   7.985
  333    HB   VAL 147           HB       VAL 147  -4.671  -5.329   8.046
  334   1HG1  VAL 147          HG11      VAL 147  -7.652  -5.776   8.110
  335   2HG1  VAL 147          HG12      VAL 147  -6.419  -7.035   8.053
  336   3HG1  VAL 147          HG13      VAL 147  -6.548  -5.987   9.468
  337   1HG2  VAL 147          HG21      VAL 147  -5.025  -4.456   5.811
  338   2HG2  VAL 147          HG22      VAL 147  -5.579  -6.129   5.915
  339   3HG2  VAL 147          HG23      VAL 147  -6.749  -4.811   5.929
  340    H    LYS 148           HN       LYS 148  -3.796  -3.094   9.387
  341    HA   LYS 148           HA       LYS 148  -4.422  -4.063  11.980
  342   1HB   LYS 148          HB2       LYS 148  -2.142  -2.334  11.008
  343   2HB   LYS 148          HB3       LYS 148  -2.253  -3.022  12.622
  344   1HG   LYS 148          HG2       LYS 148  -2.143  -5.257  11.726
  345   2HG   LYS 148          HG3       LYS 148  -2.177  -4.630  10.077
  346   1HD   LYS 148          HD2       LYS 148  -0.058  -3.399  10.601
  347   2HD   LYS 148          HD3       LYS 148  -0.004  -4.267  12.135
  348   1HE   LYS 148          HE2       LYS 148  -0.055  -5.569   9.412
  349   2HE   LYS 148          HE3       LYS 148   1.402  -5.292  10.370
  350   1HZ   LYS 148          HZ1       LYS 148  -0.875  -7.083  11.001
  351   2HZ   LYS 148          HZ2       LYS 148   0.292  -6.650  12.152
  352   3HZ   LYS 148          HZ3       LYS 148   0.753  -7.505  10.762
  353    H    GLU 149           HN       GLU 149  -3.982  -0.589  10.716
  354    HA   GLU 149           HA       GLU 149  -4.809   0.385  13.173
  355   1HB   GLU 149          HB2       GLU 149  -3.249   1.398  11.474
  356   2HB   GLU 149          HB3       GLU 149  -4.656   1.782  10.481
  357   1HG   GLU 149          HG2       GLU 149  -5.518   3.201  12.282
  358   2HG   GLU 149          HG3       GLU 149  -4.130   2.777  13.275
  359    H    TYR 150           HN       TYR 150  -6.750  -0.599  10.394
  360    HA   TYR 150           HA       TYR 150  -8.704   1.456  11.122
  361   1HB   TYR 150          HB2       TYR 150  -8.233   0.128   8.443
  362   2HB   TYR 150          HB3       TYR 150  -9.519   1.272   8.791
  363    HD1  TYR 150           HD1      TYR 150  -8.426   3.439  10.168
  364    HD2  TYR 150           HD2      TYR 150  -6.546   1.080   7.166
  365    HE1  TYR 150           HE1      TYR 150  -6.930   5.312   9.643
  366    HE2  TYR 150           HE2      TYR 150  -5.045   2.956   6.631
  367    HH   TYR 150           HH       TYR 150  -4.835   5.751   8.655
  368    H    GLY 151           HN       GLY 151  -8.070  -1.752  11.339
  369   1HA   GLY 151          HA1       GLY 151  -9.327  -3.454  12.231
  370   2HA   GLY 151          HA2       GLY 151 -10.612  -2.284  12.485
  371    H    LEU 152           HN       LEU 152  -9.028  -3.806   9.683
  372    HA   LEU 152           HA       LEU 152 -11.633  -3.866   8.355
  373   1HB   LEU 152          HB2       LEU 152  -8.880  -4.382   7.240
  374   2HB   LEU 152          HB3       LEU 152 -10.363  -4.255   6.316
  375    HG   LEU 152           HG       LEU 152  -9.078  -2.030   7.885
  376   1HD1  LEU 152          HD11      LEU 152  -7.845  -2.643   5.860
  377   2HD1  LEU 152          HD12      LEU 152  -9.316  -2.425   4.911
  378   3HD1  LEU 152          HD13      LEU 152  -8.583  -1.046   5.730
  379   1HD2  LEU 152          HD21      LEU 152 -10.761  -0.596   6.848
  380   2HD2  LEU 152          HD22      LEU 152 -11.510  -2.012   6.110
  381   3HD2  LEU 152          HD23      LEU 152 -11.504  -1.831   7.865
  382    HA   PRO 153           HA       PRO 153 -11.767  -8.237   9.213
  383   1HB   PRO 153          HB2       PRO 153 -14.410  -8.266   8.100
  384   2HB   PRO 153          HB3       PRO 153 -13.947  -8.289   9.800
  385   1HG   PRO 153          HG2       PRO 153 -15.244  -6.197   8.554
  386   2HG   PRO 153          HG3       PRO 153 -14.298  -6.055  10.044
  387   1HD   PRO 153          HD2       PRO 153 -13.524  -5.379   7.234
  388   2HD   PRO 153          HD3       PRO 153 -13.129  -4.533   8.746
  389    H    ASP 154           HN       ASP 154 -13.397  -7.140   6.243
  390    HA   ASP 154           HA       ASP 154 -12.637  -9.550   4.848
  391   1HB   ASP 154          HB2       ASP 154 -14.092  -7.097   3.833
  392   2HB   ASP 154          HB3       ASP 154 -13.952  -8.633   2.986
  393    H    VAL 155           HN       VAL 155 -10.261  -8.974   5.128
  394    HA   VAL 155           HA       VAL 155  -9.418  -7.647   2.652
  395    HB   VAL 155           HB       VAL 155  -8.015  -7.140   5.273
  396   1HG1  VAL 155          HG11      VAL 155  -7.613  -5.995   2.513
  397   2HG1  VAL 155          HG12      VAL 155  -6.742  -5.500   3.965
  398   3HG1  VAL 155          HG13      VAL 155  -6.546  -7.135   3.332
  399   1HG2  VAL 155          HG21      VAL 155  -9.746  -5.281   3.656
  400   2HG2  VAL 155          HG22      VAL 155 -10.161  -5.985   5.220
  401   3HG2  VAL 155          HG23      VAL 155  -8.818  -4.849   5.092
  402    H    ASN 156           HN       ASN 156  -8.227  -9.076   1.522
  403    HA   ASN 156           HA       ASN 156  -6.414 -10.830   3.041
  404   1HB   ASN 156          HB2       ASN 156  -8.231 -11.728   1.375
  405   2HB   ASN 156          HB3       ASN 156  -7.068 -11.251   0.144
  406   1HD2  ASN 156          HD21      ASN 156  -6.194 -12.443   3.330
  407   2HD2  ASN 156          HD22      ASN 156  -5.507 -13.928   2.770
  408    H    ILE 157           HN       ILE 157  -4.250 -10.323   2.958
  409    HA   ILE 157           HA       ILE 157  -3.738  -7.953   1.391
  410    HB   ILE 157           HB       ILE 157  -1.987  -9.287   3.474
  411   1HG1  ILE 157          HG12      ILE 157  -4.044  -8.331   4.404
  412   2HG1  ILE 157          HG13      ILE 157  -2.621  -7.453   4.947
  413   1HG2  ILE 157          HG21      ILE 157  -0.894  -6.936   3.442
  414   2HG2  ILE 157          HG22      ILE 157  -0.438  -8.131   2.229
  415   3HG2  ILE 157          HG23      ILE 157  -1.571  -6.846   1.824
  416   1HD1  ILE 157          HD11      ILE 157  -3.066  -5.700   3.341
  417   2HD1  ILE 157          HD12      ILE 157  -4.472  -6.590   2.747
  418   3HD1  ILE 157          HD13      ILE 157  -4.455  -5.961   4.397
  419    H    LEU 158           HN       LEU 158  -2.508 -11.233   1.582
  420    HA   LEU 158           HA       LEU 158  -0.164 -10.943   0.114
  421   1HB   LEU 158          HB2       LEU 158  -0.285 -13.333  -0.328
  422   2HB   LEU 158          HB3       LEU 158  -0.602 -12.934   1.348
  423    HG   LEU 158           HG       LEU 158  -2.905 -13.357  -0.520
  424   1HD1  LEU 158          HD11      LEU 158  -1.379 -15.543   0.890
  425   2HD1  LEU 158          HD12      LEU 158  -2.887 -15.730  -0.003
  426   3HD1  LEU 158          HD13      LEU 158  -1.409 -15.275  -0.853
  427   1HD2  LEU 158          HD21      LEU 158  -3.980 -14.115   1.534
  428   2HD2  LEU 158          HD22      LEU 158  -2.469 -13.890   2.415
  429   3HD2  LEU 158          HD23      LEU 158  -3.308 -12.493   1.735
  430    H    LEU 159           HN       LEU 159  -2.892  -9.882  -1.201
  431    HA   LEU 159           HA       LEU 159  -2.619 -11.236  -3.778
  432   1HB   LEU 159          HB2       LEU 159  -4.807  -9.618  -2.509
  433   2HB   LEU 159          HB3       LEU 159  -4.730  -9.767  -4.250
  434    HG   LEU 159           HG       LEU 159  -5.041 -12.161  -4.129
  435   1HD1  LEU 159          HD11      LEU 159  -3.776 -12.621  -2.097
  436   2HD1  LEU 159          HD12      LEU 159  -5.026 -11.837  -1.131
  437   3HD1  LEU 159          HD13      LEU 159  -5.391 -13.323  -2.009
  438   1HD2  LEU 159          HD21      LEU 159  -7.277 -12.268  -3.170
  439   2HD2  LEU 159          HD22      LEU 159  -6.992 -10.761  -2.300
  440   3HD2  LEU 159          HD23      LEU 159  -7.057 -10.764  -4.064
  441    H    PHE 160           HN       PHE 160  -2.016  -8.366  -1.997
  442    HA   PHE 160           HA       PHE 160  -1.625  -6.770  -4.387
  443   1HB   PHE 160          HB2       PHE 160  -1.520  -6.000  -1.471
  444   2HB   PHE 160          HB3       PHE 160  -1.277  -4.876  -2.801
  445    HD1  PHE 160           HD1      PHE 160  -3.742  -7.086  -1.164
  446    HD2  PHE 160           HD2      PHE 160  -3.107  -3.954  -3.977
  447    HE1  PHE 160           HE1      PHE 160  -6.167  -6.675  -1.249
  448    HE2  PHE 160           HE2      PHE 160  -5.530  -3.541  -4.069
  449    HZ   PHE 160           HZ       PHE 160  -7.061  -4.899  -2.705
  450    H    GLN 161           HN       GLN 161   0.082  -8.668  -2.284
  451    HA   GLN 161           HA       GLN 161   2.458  -7.614  -1.562
  452   1HB   GLN 161          HB2       GLN 161   1.923 -10.348  -2.649
  453   2HB   GLN 161          HB3       GLN 161   3.495  -9.887  -2.013
  454   1HG   GLN 161          HG2       GLN 161   2.458  -9.333   0.130
  455   2HG   GLN 161          HG3       GLN 161   0.894  -9.831  -0.508
  456   1HE2  GLN 161          HE21      GLN 161   2.387 -10.878   1.770
  457   2HE2  GLN 161          HE22      GLN 161   2.630 -12.560   1.444
  458    H    ASN 162           HN       ASN 162   1.647  -8.406  -4.868
  459    HA   ASN 162           HA       ASN 162   4.430  -7.902  -5.672
  460   1HB   ASN 162          HB2       ASN 162   2.168  -9.335  -7.061
  461   2HB   ASN 162          HB3       ASN 162   3.682  -8.926  -7.866
  462   1HD2  ASN 162          HD21      ASN 162   2.176 -10.872  -5.393
  463   2HD2  ASN 162          HD22      ASN 162   3.490 -11.985  -5.200
  464    H    ILE 163           HN       ILE 163   1.886  -6.156  -5.153
  465    HA   ILE 163           HA       ILE 163   2.028  -4.520  -7.590
  466    HB   ILE 163           HB       ILE 163   0.131  -4.484  -5.223
  467   1HG1  ILE 163          HG12      ILE 163  -0.431  -5.174  -8.110
  468   2HG1  ILE 163          HG13      ILE 163  -0.145  -6.360  -6.839
  469   1HG2  ILE 163          HG21      ILE 163  -1.179  -2.816  -6.434
  470   2HG2  ILE 163          HG22      ILE 163   0.432  -2.224  -6.029
  471   3HG2  ILE 163          HG23      ILE 163   0.071  -2.743  -7.675
  472   1HD1  ILE 163          HD11      ILE 163  -2.523  -6.059  -7.298
  473   2HD1  ILE 163          HD12      ILE 163  -2.111  -5.583  -5.651
  474   3HD1  ILE 163          HD13      ILE 163  -2.385  -4.351  -6.883
  475    H    ASP 164           HN       ASP 164   3.162  -2.708  -7.659
  476    HA   ASP 164           HA       ASP 164   4.260  -1.615  -5.184
  477   1HB   ASP 164          HB2       ASP 164   4.606  -0.713  -8.056
  478   2HB   ASP 164          HB3       ASP 164   5.383   0.026  -6.671
  479    H    GLY 165           HN       GLY 165   4.207   0.935  -5.143
  480   1HA   GLY 165          HA1       GLY 165   1.543   1.716  -4.704
  481   2HA   GLY 165          HA2       GLY 165   2.914   2.808  -4.817
  482    H    LYS 166           HN       LYS 166   3.420   1.682  -7.579
  483    HA   LYS 166           HA       LYS 166   2.150   3.821  -8.964
  484   1HB   LYS 166          HB2       LYS 166   3.296   2.860 -10.941
  485   2HB   LYS 166          HB3       LYS 166   4.381   3.033  -9.573
  486   1HG   LYS 166          HG2       LYS 166   4.510   0.796  -9.179
  487   2HG   LYS 166          HG3       LYS 166   3.000   0.461 -10.018
  488   1HD   LYS 166          HD2       LYS 166   4.179   1.200 -12.136
  489   2HD   LYS 166          HD3       LYS 166   5.674   1.180 -11.201
  490   1HE   LYS 166          HE2       LYS 166   3.831  -1.161 -11.610
  491   2HE   LYS 166          HE3       LYS 166   5.335  -0.886 -12.482
  492   1HZ   LYS 166          HZ1       LYS 166   4.978  -1.521  -9.610
  493   2HZ   LYS 166          HZ2       LYS 166   6.435  -0.923 -10.227
  494   3HZ   LYS 166          HZ3       LYS 166   5.828  -2.405 -10.773
  495    H    GLU 167           HN       GLU 167   1.540   0.495  -8.426
  496    HA   GLU 167           HA       GLU 167  -0.452   0.301 -10.516
  497   1HB   GLU 167          HB2       GLU 167   0.802  -1.603  -8.563
  498   2HB   GLU 167          HB3       GLU 167  -0.554  -2.050  -9.556
  499   1HG   GLU 167          HG2       GLU 167   0.664  -2.006 -11.505
  500   2HG   GLU 167          HG3       GLU 167   1.868  -0.909 -10.833
  501    H    LEU 168           HN       LEU 168  -0.176   0.778  -7.074
  502    HA   LEU 168           HA       LEU 168  -2.962   0.176  -6.623
  503   1HB   LEU 168          HB2       LEU 168  -1.096  -0.410  -5.011
  504   2HB   LEU 168          HB3       LEU 168  -0.914   1.301  -4.703
  505    HG   LEU 168           HG       LEU 168  -3.364   1.258  -3.967
  506   1HD1  LEU 168          HD11      LEU 168  -3.955  -0.900  -4.915
  507   2HD1  LEU 168          HD12      LEU 168  -2.770  -1.695  -3.877
  508   3HD1  LEU 168          HD13      LEU 168  -4.176  -0.902  -3.164
  509   1HD2  LEU 168          HD21      LEU 168  -1.484   1.506  -2.432
  510   2HD2  LEU 168          HD22      LEU 168  -2.761   0.516  -1.724
  511   3HD2  LEU 168          HD23      LEU 168  -1.303  -0.248  -2.362
  512    H    CYS 169           HN       CYS 169  -1.001   3.084  -6.989
  513    HA   CYS 169           HA       CYS 169  -3.202   4.616  -6.008
  514   1HB   CYS 169          HB2       CYS 169  -0.959   5.520  -5.642
  515   2HB   CYS 169          HB3       CYS 169  -0.648   5.531  -7.376
  516    HG   CYS 169           HG       CYS 169  -2.656   7.504  -7.853
  517    H    LYS 170           HN       LYS 170  -2.587   3.017  -8.816
  518    HA   LYS 170           HA       LYS 170  -4.407   4.703 -10.448
  519   1HB   LYS 170          HB2       LYS 170  -2.444   2.544 -11.273
  520   2HB   LYS 170          HB3       LYS 170  -3.592   3.318 -12.350
  521   1HG   LYS 170          HG2       LYS 170  -2.470   5.457 -12.032
  522   2HG   LYS 170          HG3       LYS 170  -1.329   4.696 -10.919
  523   1HD   LYS 170          HD2       LYS 170  -0.573   3.211 -12.714
  524   2HD   LYS 170          HD3       LYS 170  -1.716   3.968 -13.823
  525   1HE   LYS 170          HE2       LYS 170   0.518   5.421 -12.416
  526   2HE   LYS 170          HE3       LYS 170   0.620   4.784 -14.058
  527   1HZ   LYS 170          HZ1       LYS 170  -1.308   6.216 -14.620
  528   2HZ   LYS 170          HZ2       LYS 170   0.073   7.087 -14.161
  529   3HZ   LYS 170          HZ3       LYS 170  -1.211   6.906 -13.071
  530    H    MET 171           HN       MET 171  -4.948   2.835  -8.208
  531    HA   MET 171           HA       MET 171  -6.612   0.836  -9.534
  532   1HB   MET 171          HB2       MET 171  -6.107   1.487  -6.646
  533   2HB   MET 171          HB3       MET 171  -7.259   0.273  -7.184
  534   1HG   MET 171          HG2       MET 171  -4.319   0.246  -7.784
  535   2HG   MET 171          HG3       MET 171  -5.101  -0.637  -6.483
  536   1HE   MET 171          HE1       MET 171  -4.362  -3.030  -7.137
  537   2HE   MET 171          HE2       MET 171  -4.323  -3.623  -8.797
  538   3HE   MET 171          HE3       MET 171  -3.298  -2.267  -8.319
  539    H    THR 172           HN       THR 172  -8.851   0.992  -9.630
  540    HA   THR 172           HA       THR 172 -10.054   3.477  -8.669
  541    HB   THR 172           HB       THR 172 -12.073   2.755  -9.856
  542    HG1  THR 172           HG1      THR 172 -10.535   0.446 -10.573
  543   1HG2  THR 172          HG21      THR 172 -11.218   2.827 -12.151
  544   2HG2  THR 172          HG22      THR 172  -9.596   2.472 -11.558
  545   3HG2  THR 172          HG23      THR 172 -10.383   3.989 -11.120
  546    H    LYS 173           HN       LYS 173 -12.207   3.207  -7.477
  547    HA   LYS 173           HA       LYS 173 -11.893   1.704  -5.162
  548   1HB   LYS 173          HB2       LYS 173 -14.195   2.201  -4.634
  549   2HB   LYS 173          HB3       LYS 173 -13.455   3.610  -5.372
  550   1HG   LYS 173          HG2       LYS 173 -15.499   3.568  -6.403
  551   2HG   LYS 173          HG3       LYS 173 -14.509   2.682  -7.562
  552   1HD   LYS 173          HD2       LYS 173 -15.289   0.560  -6.501
  553   2HD   LYS 173          HD3       LYS 173 -16.390   1.518  -5.508
  554   1HE   LYS 173          HE2       LYS 173 -17.523   2.325  -7.471
  555   2HE   LYS 173          HE3       LYS 173 -16.363   1.510  -8.518
  556   1HZ   LYS 173          HZ1       LYS 173 -17.148  -0.617  -7.671
  557   2HZ   LYS 173          HZ2       LYS 173 -18.421   0.272  -8.345
  558   3HZ   LYS 173          HZ3       LYS 173 -18.262   0.170  -6.660
  559    H    ASP 174           HN       ASP 174 -12.864   0.606  -8.292
  560    HA   ASP 174           HA       ASP 174 -14.342  -1.601  -7.189
  561   1HB   ASP 174          HB2       ASP 174 -14.783  -0.278  -9.414
  562   2HB   ASP 174          HB3       ASP 174 -13.606  -1.402 -10.086
  563    H    ASP 175           HN       ASP 175 -11.153  -0.839  -8.146
  564    HA   ASP 175           HA       ASP 175 -10.239  -3.475  -8.829
  565   1HB   ASP 175          HB2       ASP 175  -8.856  -0.882  -8.162
  566   2HB   ASP 175          HB3       ASP 175  -7.952  -2.377  -8.359
  567    H    PHE 176           HN       PHE 176 -10.403  -1.532  -5.915
  568    HA   PHE 176           HA       PHE 176  -9.023  -3.590  -4.437
  569   1HB   PHE 176          HB2       PHE 176 -10.705  -1.244  -3.474
  570   2HB   PHE 176          HB3       PHE 176  -9.958  -2.391  -2.378
  571    HD1  PHE 176           HD1      PHE 176  -9.136   0.045  -5.058
  572    HD2  PHE 176           HD2      PHE 176  -7.844  -1.972  -1.536
  573    HE1  PHE 176           HE1      PHE 176  -7.137   1.468  -4.973
  574    HE2  PHE 176           HE2      PHE 176  -5.838  -0.553  -1.456
  575    HZ   PHE 176           HZ       PHE 176  -5.486   1.172  -3.177
  576    H    GLN 177           HN       GLN 177 -12.227  -3.082  -5.535
  577    HA   GLN 177           HA       GLN 177 -13.458  -4.716  -3.516
  578   1HB   GLN 177          HB2       GLN 177 -14.452  -3.682  -6.154
  579   2HB   GLN 177          HB3       GLN 177 -15.420  -4.652  -5.052
  580   1HG   GLN 177          HG2       GLN 177 -14.778  -2.862  -3.301
  581   2HG   GLN 177          HG3       GLN 177 -14.379  -1.890  -4.709
  582   1HE2  GLN 177          HE21      GLN 177 -16.928  -3.535  -3.000
  583   2HE2  GLN 177          HE22      GLN 177 -18.253  -2.735  -3.763
  584    H    ARG 178           HN       ARG 178 -11.452  -5.574  -6.043
  585    HA   ARG 178           HA       ARG 178 -12.888  -8.107  -6.392
  586   1HB   ARG 178          HB2       ARG 178 -11.400  -8.507  -8.335
  587   2HB   ARG 178          HB3       ARG 178 -12.413  -7.082  -8.504
  588   1HG   ARG 178          HG2       ARG 178 -10.335  -5.815  -7.605
  589   2HG   ARG 178          HG3       ARG 178  -9.467  -7.272  -8.100
  590   1HD   ARG 178          HD2       ARG 178  -9.501  -5.554  -9.868
  591   2HD   ARG 178          HD3       ARG 178 -10.304  -7.046 -10.359
  592    HE   ARG 178           HE       ARG 178 -12.329  -5.519  -9.365
  593   1HH1  ARG 178          HH12      ARG 178  -9.890  -4.999 -11.825
  594   2HH1  ARG 178          HH11      ARG 178 -10.886  -3.927 -12.760
  595   1HH2  ARG 178          HH22      ARG 178 -13.629  -4.105 -10.574
  596   2HH2  ARG 178          HH21      ARG 178 -13.021  -3.426 -12.058
  597    H    LEU 179           HN       LEU 179 -10.605  -6.775  -4.528
  598    HA   LEU 179           HA       LEU 179  -9.391  -9.403  -3.968
  599   1HB   LEU 179          HB2       LEU 179  -8.010  -6.729  -3.676
  600   2HB   LEU 179          HB3       LEU 179  -7.303  -8.305  -3.382
  601    HG   LEU 179           HG       LEU 179  -8.196  -7.281  -6.082
  602   1HD1  LEU 179          HD11      LEU 179  -5.431  -7.594  -4.923
  603   2HD1  LEU 179          HD12      LEU 179  -5.808  -7.146  -6.586
  604   3HD1  LEU 179          HD13      LEU 179  -6.255  -6.073  -5.261
  605   1HD2  LEU 179          HD21      LEU 179  -8.353  -9.710  -5.897
  606   2HD2  LEU 179          HD22      LEU 179  -7.030  -9.239  -6.965
  607   3HD2  LEU 179          HD23      LEU 179  -6.687  -9.780  -5.324
  608    H    THR 180           HN       THR 180 -10.721  -6.407  -2.834
  609    HA   THR 180           HA       THR 180 -11.112  -7.420  -0.148
  610    HB   THR 180           HB       THR 180  -9.436  -4.958  -0.719
  611    HG1  THR 180           HG1      THR 180  -8.716  -7.440  -0.471
  612   1HG2  THR 180          HG21      THR 180 -10.914  -4.517   1.154
  613   2HG2  THR 180          HG22      THR 180  -9.262  -4.738   1.732
  614   3HG2  THR 180          HG23      THR 180 -10.443  -6.037   1.914
  615    HA   PRO 181           HA       PRO 181 -14.305  -4.809  -2.126
  616   1HB   PRO 181          HB2       PRO 181 -16.322  -6.532  -2.067
  617   2HB   PRO 181          HB3       PRO 181 -14.942  -6.788  -3.140
  618   1HG   PRO 181          HG2       PRO 181 -15.614  -8.125  -0.563
  619   2HG   PRO 181          HG3       PRO 181 -14.859  -8.801  -2.015
  620   1HD   PRO 181          HD2       PRO 181 -13.533  -7.921   0.307
  621   2HD   PRO 181          HD3       PRO 181 -12.783  -8.308  -1.254
  622    H    SER 182           HN       SER 182 -16.934  -5.036  -1.507
  623    HA   SER 182           HA       SER 182 -18.612  -4.501  -0.141
  624   1HB   SER 182          HB2       SER 182 -17.728  -6.422   1.153
  625   2HB   SER 182          HB3       SER 182 -16.815  -5.291   2.150
  626    HG   SER 182           HG       SER 182 -18.901  -5.941   3.002
  627    H    TYR 183           HN       TYR 183 -16.297  -3.539   2.348
  628    HA   TYR 183           HA       TYR 183 -16.909  -0.749   1.694
  629   1HB   TYR 183          HB2       TYR 183 -17.091  -0.516   4.333
  630   2HB   TYR 183          HB3       TYR 183 -18.487  -0.891   3.330
  631    HD1  TYR 183           HD1      TYR 183 -15.727  -2.771   5.069
  632    HD2  TYR 183           HD2      TYR 183 -19.863  -2.548   4.092
  633    HE1  TYR 183           HE1      TYR 183 -16.143  -4.819   6.370
  634    HE2  TYR 183           HE2      TYR 183 -20.288  -4.593   5.385
  635    HH   TYR 183           HH       TYR 183 -18.113  -5.898   7.562
  636    H    ASN 184           HN       ASN 184 -14.473  -2.799   2.016
  637    HA   ASN 184           HA       ASN 184 -12.826  -1.089   3.726
  638   1HB   ASN 184          HB2       ASN 184 -12.176  -3.737   2.423
  639   2HB   ASN 184          HB3       ASN 184 -11.092  -2.833   3.479
  640   1HD2  ASN 184          HD21      ASN 184 -12.113  -5.469   3.856
  641   2HD2  ASN 184          HD22      ASN 184 -13.039  -5.448   5.307
  642    H    ALA 185           HN       ALA 185 -13.405  -1.850   0.431
  643    HA   ALA 185           HA       ALA 185 -11.136  -0.873  -0.870
  644   1HB   ALA 185          HB1       ALA 185 -14.028  -0.517  -1.654
  645   2HB   ALA 185          HB2       ALA 185 -12.632  -0.344  -2.717
  646   3HB   ALA 185          HB3       ALA 185 -13.024  -1.918  -2.026
  647    H    ASP 186           HN       ASP 186 -14.074   0.838   0.134
  648    HA   ASP 186           HA       ASP 186 -13.169   3.460  -0.441
  649   1HB   ASP 186          HB2       ASP 186 -15.565   2.734  -0.213
  650   2HB   ASP 186          HB3       ASP 186 -15.313   2.663   1.528
  651    H    ILE 187           HN       ILE 187 -12.064   1.448   1.960
  652    HA   ILE 187           HA       ILE 187 -11.620   3.604   3.883
  653    HB   ILE 187           HB       ILE 187 -10.701   0.712   4.017
  654   1HG1  ILE 187          HG12      ILE 187 -13.167   0.915   4.107
  655   2HG1  ILE 187          HG13      ILE 187 -12.486   0.347   5.626
  656   1HG2  ILE 187          HG21      ILE 187  -9.294   2.211   5.307
  657   2HG2  ILE 187          HG22      ILE 187 -10.713   2.876   6.115
  658   3HG2  ILE 187          HG23      ILE 187 -10.258   1.193   6.379
  659   1HD1  ILE 187          HD11      ILE 187 -12.721   2.594   6.558
  660   2HD1  ILE 187          HD12      ILE 187 -13.427   3.142   5.036
  661   3HD1  ILE 187          HD13      ILE 187 -14.263   1.936   6.014
  662    H    LEU 188           HN       LEU 188  -9.701   1.071   2.357
  663    HA   LEU 188           HA       LEU 188  -7.167   2.092   2.717
  664   1HB   LEU 188          HB2       LEU 188  -8.141   0.489   0.367
  665   2HB   LEU 188          HB3       LEU 188  -6.484   0.635   0.925
  666    HG   LEU 188           HG       LEU 188  -8.707  -0.600   2.553
  667   1HD1  LEU 188          HD11      LEU 188  -6.535  -1.952   0.950
  668   2HD1  LEU 188          HD12      LEU 188  -7.699  -2.748   2.011
  669   3HD1  LEU 188          HD13      LEU 188  -8.254  -1.931   0.552
  670   1HD2  LEU 188          HD21      LEU 188  -5.714  -0.557   2.919
  671   2HD2  LEU 188          HD22      LEU 188  -6.898   0.325   3.884
  672   3HD2  LEU 188          HD23      LEU 188  -6.864  -1.437   3.928
  673    H    LEU 189           HN       LEU 189  -9.354   2.535  -0.074
  674    HA   LEU 189           HA       LEU 189  -7.437   3.852  -1.711
  675   1HB   LEU 189          HB2       LEU 189  -9.518   2.656  -2.446
  676   2HB   LEU 189          HB3       LEU 189 -10.428   4.027  -1.862
  677    HG   LEU 189           HG       LEU 189  -9.319   5.494  -3.468
  678   1HD1  LEU 189          HD11      LEU 189  -7.849   4.542  -5.202
  679   2HD1  LEU 189          HD12      LEU 189  -7.154   4.397  -3.587
  680   3HD1  LEU 189          HD13      LEU 189  -7.883   2.990  -4.364
  681   1HD2  LEU 189          HD21      LEU 189 -10.284   4.570  -5.518
  682   2HD2  LEU 189          HD22      LEU 189 -10.437   2.995  -4.739
  683   3HD2  LEU 189          HD23      LEU 189 -11.375   4.366  -4.148
  684    H    SER 190           HN       SER 190 -10.284   5.063   0.046
  685    HA   SER 190           HA       SER 190  -9.946   7.755  -0.417
  686   1HB   SER 190          HB2       SER 190 -11.908   6.721   0.731
  687   2HB   SER 190          HB3       SER 190 -10.926   6.565   2.188
  688    HG   SER 190           HG       SER 190 -10.839   8.762   2.376
  689    H    HIS 191           HN       HIS 191  -8.347   5.761   2.036
  690    HA   HIS 191           HA       HIS 191  -7.005   7.927   3.289
  691   1HB   HIS 191          HB2       HIS 191  -6.562   4.960   3.261
  692   2HB   HIS 191          HB3       HIS 191  -5.438   6.041   4.069
  693    HD2  HIS 191           HD2      HIS 191  -7.190   7.956   5.763
  694    HE1  HIS 191           HE1      HIS 191  -9.430   4.572   6.948
  695    HE2  HIS 191           HE2      HIS 191  -8.753   6.935   7.566
  696    H    LEU 192           HN       LEU 192  -6.208   5.804   0.594
  697    HA   LEU 192           HA       LEU 192  -3.545   6.596   0.342
  698   1HB   LEU 192          HB2       LEU 192  -5.011   4.721  -0.842
  699   2HB   LEU 192          HB3       LEU 192  -5.096   5.929  -2.111
  700    HG   LEU 192           HG       LEU 192  -2.461   5.957  -1.721
  701   1HD1  LEU 192          HD11      LEU 192  -3.284   3.166  -0.955
  702   2HD1  LEU 192          HD12      LEU 192  -1.640   3.700  -1.303
  703   3HD1  LEU 192          HD13      LEU 192  -2.501   4.352   0.091
  704   1HD2  LEU 192          HD21      LEU 192  -3.958   3.920  -3.363
  705   2HD2  LEU 192          HD22      LEU 192  -3.496   5.552  -3.856
  706   3HD2  LEU 192          HD23      LEU 192  -2.254   4.335  -3.561
  707    H    HIS 193           HN       HIS 193  -6.573   7.935  -0.813
  708    HA   HIS 193           HA       HIS 193  -5.429   9.942  -2.500
  709   1HB   HIS 193          HB2       HIS 193  -8.177   9.648  -1.280
  710   2HB   HIS 193          HB3       HIS 193  -7.732  10.984  -2.330
  711    HD2  HIS 193           HD2      HIS 193  -8.939   7.372  -2.514
  712    HE1  HIS 193           HE1      HIS 193  -8.048   8.645  -6.444
  713    HE2  HIS 193           HE2      HIS 193  -9.296   6.946  -5.044
  714    H    TYR 194           HN       TYR 194  -5.481   9.576   0.823
  715    HA   TYR 194           HA       TYR 194  -5.818  12.435   1.376
  716   1HB   TYR 194          HB2       TYR 194  -7.198  11.085   2.810
  717   2HB   TYR 194          HB3       TYR 194  -5.853  10.014   3.186
  718    HD1  TYR 194           HD1      TYR 194  -6.959  13.554   3.552
  719    HD2  TYR 194           HD2      TYR 194  -4.570  10.388   5.092
  720    HE1  TYR 194           HE1      TYR 194  -6.422  14.925   5.519
  721    HE2  TYR 194           HE2      TYR 194  -4.025  11.750   7.064
  722    HH   TYR 194           HH       TYR 194  -4.036  13.914   7.876
  723    H    LEU 195           HN       LEU 195  -3.704   9.667   2.058
  724    HA   LEU 195           HA       LEU 195  -1.570  10.978   3.221
  725   1HB   LEU 195          HB2       LEU 195  -1.807   8.531   1.532
  726   2HB   LEU 195          HB3       LEU 195  -0.252   9.055   2.120
  727    HG   LEU 195           HG       LEU 195  -2.626   8.234   3.778
  728   1HD1  LEU 195          HD11      LEU 195  -1.506   6.376   2.739
  729   2HD1  LEU 195          HD12      LEU 195   0.062   6.975   3.276
  730   3HD1  LEU 195          HD13      LEU 195  -1.117   6.404   4.460
  731   1HD2  LEU 195          HD21      LEU 195  -1.431  10.031   4.889
  732   2HD2  LEU 195          HD22      LEU 195  -1.122   8.499   5.704
  733   3HD2  LEU 195          HD23      LEU 195   0.102   9.195   4.640
  734    H    ARG 196           HN       ARG 196  -2.385  10.509  -0.130
  735    HA   ARG 196           HA       ARG 196   0.009  11.555  -1.328
  736   1HB   ARG 196          HB2       ARG 196  -1.475   9.873  -2.307
  737   2HB   ARG 196          HB3       ARG 196  -2.715  11.111  -2.508
  738   1HG   ARG 196          HG2       ARG 196  -1.162  12.347  -3.973
  739   2HG   ARG 196          HG3       ARG 196   0.010  11.038  -3.792
  740   1HD   ARG 196          HD2       ARG 196  -1.111  10.587  -5.804
  741   2HD   ARG 196          HD3       ARG 196  -1.812   9.491  -4.621
  742    HE   ARG 196           HE       ARG 196  -3.120  12.030  -5.374
  743   1HH1  ARG 196          HH12      ARG 196  -3.213   8.572  -4.861
  744   2HH1  ARG 196          HH11      ARG 196  -4.933   8.455  -5.061
  745   1HH2  ARG 196          HH22      ARG 196  -5.360  11.900  -5.615
  746   2HH2  ARG 196          HH21      ARG 196  -6.167  10.371  -5.442
  747    H    GLU 197           HN       GLU 197  -2.405  13.209   0.336
  748    HA   GLU 197           HA       GLU 197  -2.889  15.459  -1.267
  749   1HB   GLU 197          HB2       GLU 197  -3.376  16.667   0.750
  750   2HB   GLU 197          HB3       GLU 197  -3.952  15.022   0.961
  751   1HG   GLU 197          HG2       GLU 197  -1.960  14.497   2.279
  752   2HG   GLU 197          HG3       GLU 197  -1.390  16.151   2.066
  753    H    THR 198           HN       THR 198  -0.091  14.414   0.425
  754    HA   THR 198           HA       THR 198   1.403  16.688  -0.667
  755    HB   THR 198           HB       THR 198   1.332  16.984   1.728
  756    HG1  THR 198           HG1      THR 198   3.367  17.461   1.700
  757   1HG2  THR 198          HG21      THR 198   0.722  14.750   2.426
  758   2HG2  THR 198          HG22      THR 198   2.171  15.271   3.288
  759   3HG2  THR 198          HG23      THR 198   2.304  14.136   1.946
  760    HA   PRO 199           HA       PRO 199   3.589  13.174  -2.380
  761   1HB   PRO 199          HB2       PRO 199   4.861  14.511  -4.315
  762   2HB   PRO 199          HB3       PRO 199   3.111  14.282  -4.351
  763   1HG   PRO 199          HG2       PRO 199   4.673  16.726  -3.802
  764   2HG   PRO 199          HG3       PRO 199   3.009  16.560  -4.385
  765   1HD   PRO 199          HD2       PRO 199   3.923  17.052  -1.690
  766   2HD   PRO 199          HD3       PRO 199   2.253  16.951  -2.284
  767    H    LEU 200           HN       LEU 200   5.809  12.514  -2.858
  768    HA   LEU 200           HA       LEU 200   7.760  13.841  -1.120
  769   1HB   LEU 200          HB2       LEU 200   8.970  11.831  -0.956
  770   2HB   LEU 200          HB3       LEU 200   7.298  11.363  -0.813
  771    HG   LEU 200           HG       LEU 200   8.362   9.676  -2.072
  772   1HD1  LEU 200          HD11      LEU 200   7.010  11.404  -4.124
  773   2HD1  LEU 200          HD12      LEU 200   7.237   9.660  -4.178
  774   3HD1  LEU 200          HD13      LEU 200   6.179  10.372  -2.959
  775   1HD2  LEU 200          HD21      LEU 200  10.399  10.823  -2.667
  776   2HD2  LEU 200          HD22      LEU 200   9.678  10.073  -4.090
  777   3HD2  LEU 200          HD23      LEU 200   9.531  11.813  -3.841
  778    HA   PRO 201           HA       PRO 201   9.900  15.394  -4.665
  779   1HB   PRO 201          HB2       PRO 201  12.413  15.272  -3.173
  780   2HB   PRO 201          HB3       PRO 201  11.499  16.687  -3.706
  781   1HG   PRO 201          HG2       PRO 201  11.696  15.987  -1.104
  782   2HG   PRO 201          HG3       PRO 201  10.257  16.779  -1.774
  783   1HD   PRO 201          HD2       PRO 201  10.708  13.880  -1.155
  784   2HD   PRO 201          HD3       PRO 201   9.273  14.885  -0.858
  Start of MODEL    3
    1   1H    GLY 105           H1       GLY 105   3.305 -15.079   3.226
    2   2H    GLY 105           H2       GLY 105   2.613 -15.568   1.757
    3   3H    GLY 105           H3       GLY 105   4.263 -15.178   1.832
    4   1HA   GLY 105          HA2       GLY 105   3.030 -17.424   3.322
    5   2HA   GLY 105          HA1       GLY 105   3.822 -17.600   1.761
    6    H    SER 106           HN       SER 106   5.266 -19.074   2.891
    7    HA   SER 106           HA       SER 106   7.270 -17.689   4.530
    8   1HB   SER 106          HB2       SER 106   6.332 -19.882   5.345
    9   2HB   SER 106          HB3       SER 106   7.077 -20.656   3.945
   10    HG   SER 106           HG       SER 106   8.874 -20.690   5.023
   11    H    HIS 107           HN       HIS 107   7.950 -16.496   2.668
   12    HA   HIS 107           HA       HIS 107   9.362 -18.024   0.597
   13   1HB   HIS 107          HB2       HIS 107   7.663 -16.149   0.099
   14   2HB   HIS 107          HB3       HIS 107   8.904 -15.040   0.659
   15    HD2  HIS 107           HD2      HIS 107  11.484 -16.034  -0.919
   16    HE1  HIS 107           HE1      HIS 107   9.024 -15.787  -4.349
   17    HE2  HIS 107           HE2      HIS 107  11.399 -15.643  -3.483
   18    H    MET 108           HN       MET 108   9.776 -15.750   3.195
   19    HA   MET 108           HA       MET 108  11.554 -14.846   4.252
   20   1HB   MET 108          HB2       MET 108  12.130 -17.293   4.474
   21   2HB   MET 108          HB3       MET 108  13.186 -17.104   3.081
   22   1HG   MET 108          HG2       MET 108  14.575 -15.555   4.261
   23   2HG   MET 108          HG3       MET 108  13.448 -15.503   5.615
   24   1HE   MET 108          HE1       MET 108  15.928 -19.235   4.507
   25   2HE   MET 108          HE2       MET 108  14.554 -18.668   3.556
   26   3HE   MET 108          HE3       MET 108  16.035 -17.708   3.634
   27    H    GLU 109           HN       GLU 109  10.871 -13.741   1.905
   28    HA   GLU 109           HA       GLU 109  13.405 -12.587   1.042
   29   1HB   GLU 109          HB2       GLU 109  12.894 -14.235  -0.682
   30   2HB   GLU 109          HB3       GLU 109  11.265 -13.603  -0.845
   31   1HG   GLU 109          HG2       GLU 109  12.489 -12.793  -2.682
   32   2HG   GLU 109          HG3       GLU 109  12.288 -11.432  -1.584
   33    H    GLU 110           HN       GLU 110  12.591 -10.996   2.550
   34    HA   GLU 110           HA       GLU 110  10.436  -9.304   1.528
   35   1HB   GLU 110          HB2       GLU 110  11.792  -9.663   4.118
   36   2HB   GLU 110          HB3       GLU 110  11.487  -7.986   3.699
   37   1HG   GLU 110          HG2       GLU 110   9.700  -8.943   5.064
   38   2HG   GLU 110          HG3       GLU 110   9.127  -8.422   3.483
   39    H    LYS 111           HN       LYS 111  12.762  -9.628  -0.039
   40    HA   LYS 111           HA       LYS 111  14.049  -6.994   0.208
   41   1HB   LYS 111          HB2       LYS 111  15.501  -9.005   0.724
   42   2HB   LYS 111          HB3       LYS 111  15.318  -9.473  -0.960
   43   1HG   LYS 111          HG2       LYS 111  16.396  -7.416  -1.674
   44   2HG   LYS 111          HG3       LYS 111  16.534  -6.891   0.005
   45   1HD   LYS 111          HD2       LYS 111  17.990  -8.763   0.502
   46   2HD   LYS 111          HD3       LYS 111  17.793  -9.382  -1.139
   47   1HE   LYS 111          HE2       LYS 111  19.915  -8.227  -0.924
   48   2HE   LYS 111          HE3       LYS 111  18.851  -7.351  -2.020
   49   1HZ   LYS 111          HZ1       LYS 111  19.253  -6.660   0.843
   50   2HZ   LYS 111          HZ2       LYS 111  18.369  -5.771  -0.300
   51   3HZ   LYS 111          HZ3       LYS 111  20.053  -5.908  -0.448
   52    H    HIS 112           HN       HIS 112  11.626  -7.664  -1.257
   53    HA   HIS 112           HA       HIS 112  12.460  -7.376  -4.034
   54   1HB   HIS 112          HB2       HIS 112   9.690  -7.320  -2.804
   55   2HB   HIS 112          HB3       HIS 112  10.032  -7.256  -4.526
   56    HD2  HIS 112           HD2      HIS 112  11.298  -9.703  -5.506
   57    HE1  HIS 112           HE1      HIS 112   9.447 -11.964  -2.445
   58    HE2  HIS 112           HE2      HIS 112  10.428 -12.043  -4.780
   59    H    MET 113           HN       MET 113  12.335  -5.462  -1.415
   60    HA   MET 113           HA       MET 113  11.660  -3.036  -2.943
   61   1HB   MET 113          HB2       MET 113  11.328  -1.993  -0.650
   62   2HB   MET 113          HB3       MET 113  10.128  -3.177  -1.144
   63   1HG   MET 113          HG2       MET 113  11.094  -4.845   0.270
   64   2HG   MET 113          HG3       MET 113  12.469  -3.807   0.636
   65   1HE   MET 113          HE1       MET 113  11.559  -4.882   3.110
   66   2HE   MET 113          HE2       MET 113  10.084  -4.299   3.881
   67   3HE   MET 113          HE3       MET 113   9.981  -5.378   2.490
   68    HA   PRO 114           HA       PRO 114  16.249  -2.818  -2.076
   69   1HB   PRO 114          HB2       PRO 114  16.186  -1.678  -4.804
   70   2HB   PRO 114          HB3       PRO 114  17.265  -2.892  -4.112
   71   1HG   PRO 114          HG2       PRO 114  15.370  -3.579  -5.857
   72   2HG   PRO 114          HG3       PRO 114  15.763  -4.622  -4.475
   73   1HD   PRO 114          HD2       PRO 114  13.475  -2.714  -4.821
   74   2HD   PRO 114          HD3       PRO 114  13.475  -4.356  -4.143
   75    HA   PRO 115           HA       PRO 115  16.032   1.816  -2.912
   76   1HB   PRO 115          HB2       PRO 115  14.039   3.000  -4.233
   77   2HB   PRO 115          HB3       PRO 115  15.259   2.037  -5.069
   78   1HG   PRO 115          HG2       PRO 115  12.434   1.394  -4.461
   79   2HG   PRO 115          HG3       PRO 115  13.456   0.838  -5.797
   80   1HD   PRO 115          HD2       PRO 115  12.849  -0.539  -3.376
   81   2HD   PRO 115          HD3       PRO 115  13.955  -1.049  -4.664
   82    HA   PRO 116           HA       PRO 116  13.375   3.246   0.504
   83   1HB   PRO 116          HB2       PRO 116  15.724   4.793   1.240
   84   2HB   PRO 116          HB3       PRO 116  14.910   3.527   2.162
   85   1HG   PRO 116          HG2       PRO 116  17.397   3.227   1.103
   86   2HG   PRO 116          HG3       PRO 116  16.276   1.875   1.350
   87   1HD   PRO 116          HD2       PRO 116  16.893   3.390  -1.165
   88   2HD   PRO 116          HD3       PRO 116  16.679   1.641  -0.927
   89    H    ASN 117           HN       ASN 117  12.451   4.237  -1.489
   90    HA   ASN 117           HA       ASN 117  13.691   6.593  -2.594
   91   1HB   ASN 117          HB2       ASN 117  12.389   4.734  -3.827
   92   2HB   ASN 117          HB3       ASN 117  10.944   5.541  -3.237
   93   1HD2  ASN 117          HD21      ASN 117  10.393   5.835  -5.428
   94   2HD2  ASN 117          HD22      ASN 117  11.077   7.136  -6.340
   95    H    MET 118           HN       MET 118  13.314   7.402  -0.107
   96    HA   MET 118           HA       MET 118  11.498   9.544  -0.227
   97   1HB   MET 118          HB2       MET 118   9.936   8.703   1.609
   98   2HB   MET 118          HB3       MET 118   9.683   8.075  -0.013
   99   1HG   MET 118          HG2       MET 118   9.458   6.267   1.486
  100   2HG   MET 118          HG3       MET 118  10.985   6.054   0.641
  101   1HE   MET 118          HE1       MET 118  10.189   8.491   3.662
  102   2HE   MET 118          HE2       MET 118   9.266   7.035   4.037
  103   3HE   MET 118          HE3       MET 118  10.656   7.478   5.028
  104    H    THR 119           HN       THR 119  11.104  10.554   1.930
  105    HA   THR 119           HA       THR 119  12.622   9.596   4.185
  106    HB   THR 119           HB       THR 119  14.262  11.045   2.959
  107    HG1  THR 119           HG1      THR 119  14.376  10.829   5.241
  108   1HG2  THR 119          HG21      THR 119  12.727  12.662   1.983
  109   2HG2  THR 119          HG22      THR 119  13.919  13.488   2.989
  110   3HG2  THR 119          HG23      THR 119  12.279  13.237   3.588
  111    H    THR 120           HN       THR 120   9.859  10.172   3.147
  112    HA   THR 120           HA       THR 120   8.918  12.401   4.746
  113    HB   THR 120           HB       THR 120   7.152  10.566   3.150
  114    HG1  THR 120           HG1      THR 120   8.364  12.841   1.992
  115   1HG2  THR 120          HG21      THR 120   7.063  13.526   3.746
  116   2HG2  THR 120          HG22      THR 120   6.092  12.284   4.537
  117   3HG2  THR 120          HG23      THR 120   5.863  12.623   2.823
  118    H    ASN 121           HN       ASN 121   7.496   9.155   4.284
  119    HA   ASN 121           HA       ASN 121   6.310   9.310   6.918
  120   1HB   ASN 121          HB2       ASN 121   6.145   7.216   4.738
  121   2HB   ASN 121          HB3       ASN 121   5.309   7.083   6.285
  122   1HD2  ASN 121          HD21      ASN 121   5.378   8.598   3.197
  123   2HD2  ASN 121          HD22      ASN 121   3.868   9.432   3.344
  124    H    GLU 122           HN       GLU 122   8.920   9.319   7.331
  125    HA   GLU 122           HA       GLU 122  10.277   6.860   7.366
  126   1HB   GLU 122          HB2       GLU 122  11.431   9.000   7.414
  127   2HB   GLU 122          HB3       GLU 122  10.723   9.379   8.976
  128   1HG   GLU 122          HG2       GLU 122  11.939   7.432   9.931
  129   2HG   GLU 122          HG3       GLU 122  12.732   7.226   8.369
  130    H    ARG 123           HN       ARG 123   8.079   8.318   9.667
  131    HA   ARG 123           HA       ARG 123   8.930   6.430  11.748
  132   1HB   ARG 123          HB2       ARG 123   7.709   7.847  13.309
  133   2HB   ARG 123          HB3       ARG 123   8.846   8.803  12.366
  134   1HG   ARG 123          HG2       ARG 123   7.043   9.593  10.948
  135   2HG   ARG 123          HG3       ARG 123   5.890   8.589  11.827
  136   1HD   ARG 123          HD2       ARG 123   5.772  10.897  12.582
  137   2HD   ARG 123          HD3       ARG 123   6.357   9.849  13.872
  138    HE   ARG 123           HE       ARG 123   8.520  10.980  12.414
  139   1HH1  ARG 123          HH12      ARG 123   6.046  11.824  14.733
  140   2HH1  ARG 123          HH11      ARG 123   7.031  12.988  15.570
  141   1HH2  ARG 123          HH22      ARG 123   9.828  12.548  13.468
  142   2HH2  ARG 123          HH21      ARG 123   9.177  13.431  14.823
  143    H    ARG 124           HN       ARG 124   7.077   5.765   9.388
  144    HA   ARG 124           HA       ARG 124   5.069   4.480  11.031
  145   1HB   ARG 124          HB2       ARG 124   3.174   5.317   9.631
  146   2HB   ARG 124          HB3       ARG 124   3.926   6.517  10.670
  147   1HG   ARG 124          HG2       ARG 124   5.318   7.037   8.497
  148   2HG   ARG 124          HG3       ARG 124   3.918   6.304   7.709
  149   1HD   ARG 124          HD2       ARG 124   3.958   8.692   9.540
  150   2HD   ARG 124          HD3       ARG 124   3.566   8.666   7.824
  151    HE   ARG 124           HE       ARG 124   1.890   7.421   9.920
  152   1HH1  ARG 124          HH12      ARG 124   2.237   9.154   6.882
  153   2HH1  ARG 124          HH11      ARG 124   0.526   9.353   6.664
  154   1HH2  ARG 124          HH22      ARG 124  -0.351   7.680   9.625
  155   2HH2  ARG 124          HH21      ARG 124  -0.949   8.485   8.205
  156    H    VAL 125           HN       VAL 125   5.590   5.059   7.497
  157    HA   VAL 125           HA       VAL 125   5.355   2.136   7.207
  158    HB   VAL 125           HB       VAL 125   4.617   3.995   4.973
  159   1HG1  VAL 125          HG11      VAL 125   4.964   1.673   4.395
  160   2HG1  VAL 125          HG12      VAL 125   3.807   1.173   5.627
  161   3HG1  VAL 125          HG13      VAL 125   3.261   2.096   4.228
  162   1HG2  VAL 125          HG21      VAL 125   3.228   4.615   6.916
  163   2HG2  VAL 125          HG22      VAL 125   2.302   3.932   5.576
  164   3HG2  VAL 125          HG23      VAL 125   2.661   2.944   6.995
  165    H    ILE 126           HN       ILE 126   7.384   4.665   6.998
  166    HA   ILE 126           HA       ILE 126   9.320   5.189   5.951
  167    HB   ILE 126           HB       ILE 126   9.517   2.189   5.509
  168   1HG1  ILE 126          HG12      ILE 126  11.123   2.424   7.522
  169   2HG1  ILE 126          HG13      ILE 126  10.336   3.970   7.804
  170   1HG2  ILE 126          HG21      ILE 126  11.925   2.543   5.334
  171   2HG2  ILE 126          HG22      ILE 126  11.063   3.446   4.085
  172   3HG2  ILE 126          HG23      ILE 126  11.691   4.284   5.506
  173   1HD1  ILE 126          HD11      ILE 126   8.195   2.824   8.069
  174   2HD1  ILE 126          HD12      ILE 126   8.997   1.276   7.798
  175   3HD1  ILE 126          HD13      ILE 126   9.403   2.243   9.216
  176    H    VAL 127           HN       VAL 127   7.225   5.778   4.467
  177    HA   VAL 127           HA       VAL 127   7.944   4.947   1.743
  178    HB   VAL 127           HB       VAL 127   5.587   4.933   1.100
  179   1HG1  VAL 127          HG11      VAL 127   6.119   3.109   3.431
  180   2HG1  VAL 127          HG12      VAL 127   4.955   2.844   2.131
  181   3HG1  VAL 127          HG13      VAL 127   6.685   2.857   1.781
  182   1HG2  VAL 127          HG21      VAL 127   5.130   5.518   4.009
  183   2HG2  VAL 127          HG22      VAL 127   4.565   6.424   2.610
  184   3HG2  VAL 127          HG23      VAL 127   3.875   4.839   2.969
  185    HA   PRO 128           HA       PRO 128   7.416   9.261   0.607
  186   1HB   PRO 128          HB2       PRO 128   6.429   8.902  -1.919
  187   2HB   PRO 128          HB3       PRO 128   8.143   8.756  -1.515
  188   1HG   PRO 128          HG2       PRO 128   6.096   6.614  -1.909
  189   2HG   PRO 128          HG3       PRO 128   7.794   6.655  -2.421
  190   1HD   PRO 128          HD2       PRO 128   6.964   5.280  -0.244
  191   2HD   PRO 128          HD3       PRO 128   8.568   6.024  -0.359
  192    H    ALA 129           HN       ALA 129   5.816  10.569   1.092
  193    HA   ALA 129           HA       ALA 129   3.253  10.066   1.764
  194   1HB   ALA 129          HB1       ALA 129   4.139  12.549   0.313
  195   2HB   ALA 129          HB2       ALA 129   2.725  12.394   1.357
  196   3HB   ALA 129          HB3       ALA 129   4.345  12.232   2.035
  197    H    ASP 130           HN       ASP 130   4.417  10.254  -1.494
  198    HA   ASP 130           HA       ASP 130   1.794   9.878  -2.705
  199   1HB   ASP 130          HB2       ASP 130   3.203   9.522  -4.786
  200   2HB   ASP 130          HB3       ASP 130   3.319  11.110  -4.073
  201    HA   PRO 131           HA       PRO 131   2.149   5.556  -1.994
  202   1HB   PRO 131          HB2       PRO 131  -0.399   5.266  -3.263
  203   2HB   PRO 131          HB3       PRO 131  -0.035   5.208  -1.539
  204   1HG   PRO 131          HG2       PRO 131  -1.489   7.197  -2.822
  205   2HG   PRO 131          HG3       PRO 131  -0.756   7.330  -1.220
  206   1HD   PRO 131          HD2       PRO 131   0.170   8.405  -3.820
  207   2HD   PRO 131          HD3       PRO 131   0.407   9.039  -2.179
  208    H    THR 132           HN       THR 132   3.058   7.085  -4.472
  209    HA   THR 132           HA       THR 132   2.499   5.160  -6.533
  210    HB   THR 132           HB       THR 132   3.958   6.839  -7.854
  211    HG1  THR 132           HG1      THR 132   4.833   8.105  -6.273
  212   1HG2  THR 132          HG21      THR 132   1.330   7.768  -6.701
  213   2HG2  THR 132          HG22      THR 132   1.500   6.643  -8.050
  214   3HG2  THR 132          HG23      THR 132   2.058   8.308  -8.215
  215    H    LEU 133           HN       LEU 133   5.205   6.384  -4.590
  216    HA   LEU 133           HA       LEU 133   7.018   4.519  -5.940
  217   1HB   LEU 133          HB2       LEU 133   7.864   6.335  -3.728
  218   2HB   LEU 133          HB3       LEU 133   8.767   5.803  -5.130
  219    HG   LEU 133           HG       LEU 133   6.572   7.913  -5.172
  220   1HD1  LEU 133          HD11      LEU 133   9.583   8.184  -5.328
  221   2HD1  LEU 133          HD12      LEU 133   8.401   9.489  -5.437
  222   3HD1  LEU 133          HD13      LEU 133   8.587   8.589  -3.928
  223   1HD2  LEU 133          HD21      LEU 133   7.386   8.347  -7.437
  224   2HD2  LEU 133          HD22      LEU 133   8.548   7.029  -7.300
  225   3HD2  LEU 133          HD23      LEU 133   6.819   6.683  -7.296
  226    H    TRP 134           HN       TRP 134   4.918   4.278  -3.347
  227    HA   TRP 134           HA       TRP 134   6.381   2.817  -1.538
  228   1HB   TRP 134          HB2       TRP 134   3.610   2.281  -2.609
  229   2HB   TRP 134          HB3       TRP 134   4.274   1.547  -1.162
  230    HD1  TRP 134           HD1      TRP 134   5.275   5.059  -1.169
  231    HE1  TRP 134           HE1      TRP 134   3.703   6.496   0.254
  232    HE3  TRP 134           HE3      TRP 134   1.519   1.677  -0.527
  233    HZ2  TRP 134           HZ2      TRP 134   1.205   6.203   1.542
  234    HZ3  TRP 134           HZ3      TRP 134  -0.426   2.323   0.830
  235    HH2  TRP 134           HH2      TRP 134  -0.580   4.540   1.844
  236    H    SER 135           HN       SER 135   7.672   1.079  -1.942
  237    HA   SER 135           HA       SER 135   7.585  -0.174  -4.484
  238   1HB   SER 135          HB2       SER 135   9.643   0.161  -3.074
  239   2HB   SER 135          HB3       SER 135   9.072  -1.156  -2.043
  240    HG   SER 135           HG       SER 135   9.496  -2.585  -3.596
  241    H    THR 136           HN       THR 136   7.355  -2.383  -4.809
  242    HA   THR 136           HA       THR 136   5.084  -3.736  -4.413
  243    HB   THR 136           HB       THR 136   6.476  -5.936  -4.177
  244    HG1  THR 136           HG1      THR 136   8.464  -5.377  -3.562
  245   1HG2  THR 136          HG21      THR 136   7.115  -5.815  -6.549
  246   2HG2  THR 136          HG22      THR 136   6.857  -4.070  -6.522
  247   3HG2  THR 136          HG23      THR 136   5.497  -5.165  -6.274
  248    H    ASP 137           HN       ASP 137   7.639  -3.655  -1.970
  249    HA   ASP 137           HA       ASP 137   6.132  -5.370  -0.179
  250   1HB   ASP 137          HB2       ASP 137   8.815  -4.036   0.230
  251   2HB   ASP 137          HB3       ASP 137   8.082  -5.223   1.304
  252    H    HIS 138           HN       HIS 138   7.067  -1.885  -0.463
  253    HA   HIS 138           HA       HIS 138   6.149  -1.147   2.067
  254   1HB   HIS 138          HB2       HIS 138   6.577   0.322  -0.521
  255   2HB   HIS 138          HB3       HIS 138   6.052   1.127   0.945
  256    HD2  HIS 138           HD2      HIS 138   7.939   1.143   3.032
  257    HE1  HIS 138           HE1      HIS 138  11.161   0.260   0.431
  258    HE2  HIS 138           HE2      HIS 138  10.508   1.242   2.678
  259    H    VAL 139           HN       VAL 139   4.350  -2.184  -0.635
  260    HA   VAL 139           HA       VAL 139   2.187  -0.304  -0.079
  261    HB   VAL 139           HB       VAL 139   2.749  -2.185  -2.355
  262   1HG1  VAL 139          HG11      VAL 139  -0.067  -1.399  -1.584
  263   2HG1  VAL 139          HG12      VAL 139   0.411  -2.201  -3.079
  264   3HG1  VAL 139          HG13      VAL 139   0.594  -3.033  -1.535
  265   1HG2  VAL 139          HG21      VAL 139   1.867  -0.349  -3.670
  266   2HG2  VAL 139          HG22      VAL 139   1.392   0.496  -2.195
  267   3HG2  VAL 139          HG23      VAL 139   3.102   0.233  -2.550
  268    H    ARG 140           HN       ARG 140   3.267  -3.562  -0.046
  269    HA   ARG 140           HA       ARG 140   1.035  -4.858   1.097
  270   1HB   ARG 140          HB2       ARG 140   3.090  -5.871  -0.022
  271   2HB   ARG 140          HB3       ARG 140   3.941  -5.564   1.485
  272   1HG   ARG 140          HG2       ARG 140   1.991  -6.880   2.540
  273   2HG   ARG 140          HG3       ARG 140   1.757  -7.493   0.911
  274   1HD   ARG 140          HD2       ARG 140   4.106  -7.804   2.735
  275   2HD   ARG 140          HD3       ARG 140   3.193  -9.042   1.881
  276    HE   ARG 140           HE       ARG 140   4.325  -7.593  -0.120
  277   1HH1  ARG 140          HH12      ARG 140   5.573  -9.142   2.736
  278   2HH1  ARG 140          HH11      ARG 140   7.137  -9.473   2.058
  279   1HH2  ARG 140          HH22      ARG 140   6.386  -7.989  -1.049
  280   2HH2  ARG 140          HH21      ARG 140   7.616  -8.757  -0.099
  281    H    GLN 141           HN       GLN 141   3.634  -2.908   2.307
  282    HA   GLN 141           HA       GLN 141   3.510  -3.671   5.024
  283   1HB   GLN 141          HB2       GLN 141   5.492  -2.585   4.230
  284   2HB   GLN 141          HB3       GLN 141   4.569  -1.182   3.701
  285   1HG   GLN 141          HG2       GLN 141   4.152  -0.475   5.858
  286   2HG   GLN 141          HG3       GLN 141   4.596  -2.034   6.566
  287   1HE2  GLN 141          HE21      GLN 141   6.966  -2.068   4.660
  288   2HE2  GLN 141          HE22      GLN 141   8.124  -1.033   5.412
  289    H    TRP 142           HN       TRP 142   2.554  -0.497   3.650
  290    HA   TRP 142           HA       TRP 142   0.928   0.384   5.607
  291   1HB   TRP 142          HB2       TRP 142   1.499   1.537   3.444
  292   2HB   TRP 142          HB3       TRP 142   0.263   0.572   2.665
  293    HD1  TRP 142           HD1      TRP 142   0.575   3.268   5.412
  294    HE1  TRP 142           HE1      TRP 142  -1.641   4.564   5.524
  295    HE3  TRP 142           HE3      TRP 142  -2.123   0.541   2.030
  296    HZ2  TRP 142           HZ2      TRP 142  -4.192   4.454   4.328
  297    HZ3  TRP 142           HZ3      TRP 142  -4.444   1.208   1.562
  298    HH2  TRP 142           HH2      TRP 142  -5.462   3.127   2.697
  299    H    LEU 143           HN       LEU 143  -0.253  -1.254   2.812
  300    HA   LEU 143           HA       LEU 143  -2.785  -1.788   3.399
  301   1HB   LEU 143          HB2       LEU 143  -1.496  -2.621   1.412
  302   2HB   LEU 143          HB3       LEU 143  -1.021  -3.998   2.377
  303    HG   LEU 143           HG       LEU 143  -3.657  -4.204   2.659
  304   1HD1  LEU 143          HD11      LEU 143  -4.688  -3.721   0.450
  305   2HD1  LEU 143          HD12      LEU 143  -4.245  -2.281   1.370
  306   3HD1  LEU 143          HD13      LEU 143  -3.231  -2.814   0.025
  307   1HD2  LEU 143          HD21      LEU 143  -3.598  -5.859   0.904
  308   2HD2  LEU 143          HD22      LEU 143  -2.130  -5.133   0.249
  309   3HD2  LEU 143          HD23      LEU 143  -2.100  -5.894   1.837
  310    H    GLU 144           HN       GLU 144  -0.143  -3.337   4.978
  311    HA   GLU 144           HA       GLU 144  -1.880  -5.133   6.529
  312   1HB   GLU 144          HB2       GLU 144   1.105  -4.743   6.448
  313   2HB   GLU 144          HB3       GLU 144   0.373  -5.566   7.816
  314   1HG   GLU 144          HG2       GLU 144  -0.453  -7.300   6.415
  315   2HG   GLU 144          HG3       GLU 144   0.009  -6.413   4.966
  316    H    TRP 145           HN       TRP 145   0.375  -2.504   7.141
  317    HA   TRP 145           HA       TRP 145  -0.292  -2.047   9.828
  318   1HB   TRP 145          HB2       TRP 145   1.603  -0.883   9.503
  319   2HB   TRP 145          HB3       TRP 145   1.347  -0.831   7.767
  320    HD1  TRP 145           HD1      TRP 145   0.487   1.416   6.738
  321    HE1  TRP 145           HE1      TRP 145   0.145   3.771   7.683
  322    HE3  TRP 145           HE3      TRP 145   0.832   0.329  11.692
  323    HZ2  TRP 145           HZ2      TRP 145   0.023   5.008  10.204
  324    HZ3  TRP 145           HZ3      TRP 145   0.592   2.156  13.327
  325    HH2  TRP 145           HH2      TRP 145   0.196   4.452  12.594
  326    H    ALA 146           HN       ALA 146  -2.163  -1.624   7.164
  327    HA   ALA 146           HA       ALA 146  -3.617   0.709   8.191
  328   1HB   ALA 146          HB1       ALA 146  -4.893   0.624   6.102
  329   2HB   ALA 146          HB2       ALA 146  -3.155   0.700   5.806
  330   3HB   ALA 146          HB3       ALA 146  -4.014  -0.831   5.627
  331    H    VAL 147           HN       VAL 147  -4.118  -2.787   7.475
  332    HA   VAL 147           HA       VAL 147  -6.605  -3.008   8.576
  333    HB   VAL 147           HB       VAL 147  -4.282  -4.928   8.795
  334   1HG1  VAL 147          HG11      VAL 147  -6.025  -5.496  10.406
  335   2HG1  VAL 147          HG12      VAL 147  -7.233  -5.439   9.121
  336   3HG1  VAL 147          HG13      VAL 147  -5.970  -6.669   9.089
  337   1HG2  VAL 147          HG21      VAL 147  -6.504  -4.619   6.780
  338   2HG2  VAL 147          HG22      VAL 147  -4.779  -4.368   6.511
  339   3HG2  VAL 147          HG23      VAL 147  -5.391  -5.990   6.840
  340    H    LYS 148           HN       LYS 148  -3.666  -2.271  10.307
  341    HA   LYS 148           HA       LYS 148  -5.031  -2.805  12.881
  342   1HB   LYS 148          HB2       LYS 148  -2.893  -2.410  13.967
  343   2HB   LYS 148          HB3       LYS 148  -2.666  -3.573  12.669
  344   1HG   LYS 148          HG2       LYS 148  -1.821  -1.739  11.234
  345   2HG   LYS 148          HG3       LYS 148  -1.953  -0.647  12.612
  346   1HD   LYS 148          HD2       LYS 148   0.326  -1.391  12.430
  347   2HD   LYS 148          HD3       LYS 148  -0.393  -2.125  13.864
  348   1HE   LYS 148          HE2       LYS 148  -0.702  -4.211  12.700
  349   2HE   LYS 148          HE3       LYS 148  -0.150  -3.493  11.187
  350   1HZ   LYS 148          HZ1       LYS 148   1.565  -4.827  12.297
  351   2HZ   LYS 148          HZ2       LYS 148   1.514  -3.781  13.632
  352   3HZ   LYS 148          HZ3       LYS 148   2.032  -3.203  12.120
  353    H    GLU 149           HN       GLU 149  -4.218  -0.607  10.708
  354    HA   GLU 149           HA       GLU 149  -4.140   1.801  12.323
  355   1HB   GLU 149          HB2       GLU 149  -2.997   1.644  10.018
  356   2HB   GLU 149          HB3       GLU 149  -4.594   2.003   9.358
  357   1HG   GLU 149          HG2       GLU 149  -4.681   4.039  10.739
  358   2HG   GLU 149          HG3       GLU 149  -3.056   3.699  11.318
  359    H    TYR 150           HN       TYR 150  -6.503   0.497   9.991
  360    HA   TYR 150           HA       TYR 150  -8.455   2.349  11.147
  361   1HB   TYR 150          HB2       TYR 150  -8.550   1.072   8.413
  362   2HB   TYR 150          HB3       TYR 150  -9.513   2.403   9.009
  363    HD1  TYR 150           HD1      TYR 150  -7.965   4.449   9.912
  364    HD2  TYR 150           HD2      TYR 150  -6.909   1.639   6.892
  365    HE1  TYR 150           HE1      TYR 150  -6.351   6.055   8.990
  366    HE2  TYR 150           HE2      TYR 150  -5.285   3.238   5.967
  367    HH   TYR 150           HH       TYR 150  -5.160   5.968   6.056
  368    H    GLY 151           HN       GLY 151  -7.628  -0.763  11.372
  369   1HA   GLY 151          HA1       GLY 151  -8.749  -2.489  12.392
  370   2HA   GLY 151          HA2       GLY 151 -10.140  -1.428  12.535
  371    H    LEU 152           HN       LEU 152  -8.412  -2.678   9.711
  372    HA   LEU 152           HA       LEU 152 -10.812  -3.312   8.286
  373   1HB   LEU 152          HB2       LEU 152  -7.945  -4.081   7.782
  374   2HB   LEU 152          HB3       LEU 152  -9.265  -4.263   6.641
  375    HG   LEU 152           HG       LEU 152  -8.371  -1.600   7.755
  376   1HD1  LEU 152          HD11      LEU 152  -6.589  -2.581   6.411
  377   2HD1  LEU 152          HD12      LEU 152  -7.730  -2.884   5.101
  378   3HD1  LEU 152          HD13      LEU 152  -7.342  -1.228   5.566
  379   1HD2  LEU 152          HD21      LEU 152 -10.184  -2.337   5.464
  380   2HD2  LEU 152          HD22      LEU 152 -10.684  -1.661   7.013
  381   3HD2  LEU 152          HD23      LEU 152  -9.699  -0.702   5.910
  382    HA   PRO 153           HA       PRO 153 -11.469  -7.017  10.728
  383   1HB   PRO 153          HB2       PRO 153 -13.659  -7.868   9.275
  384   2HB   PRO 153          HB3       PRO 153 -13.711  -6.711  10.608
  385   1HG   PRO 153          HG2       PRO 153 -13.662  -6.208   7.663
  386   2HG   PRO 153          HG3       PRO 153 -14.606  -5.393   8.924
  387   1HD   PRO 153          HD2       PRO 153 -12.408  -4.266   7.891
  388   2HD   PRO 153          HD3       PRO 153 -12.802  -4.103   9.612
  389    H    ASP 154           HN       ASP 154 -11.656  -7.234   7.154
  390    HA   ASP 154           HA       ASP 154  -9.964  -9.589   7.264
  391   1HB   ASP 154          HB2       ASP 154 -12.275 -10.470   7.512
  392   2HB   ASP 154          HB3       ASP 154 -12.706  -9.699   5.988
  393    H    VAL 155           HN       VAL 155  -8.677  -7.824   6.241
  394    HA   VAL 155           HA       VAL 155  -9.228  -7.603   3.382
  395    HB   VAL 155           HB       VAL 155  -7.064  -6.356   5.091
  396   1HG1  VAL 155          HG11      VAL 155  -6.479  -5.039   3.107
  397   2HG1  VAL 155          HG12      VAL 155  -6.201  -6.761   2.848
  398   3HG1  VAL 155          HG13      VAL 155  -7.620  -5.980   2.148
  399   1HG2  VAL 155          HG21      VAL 155  -9.274  -5.419   5.445
  400   2HG2  VAL 155          HG22      VAL 155  -8.248  -4.268   4.590
  401   3HG2  VAL 155          HG23      VAL 155  -9.473  -5.183   3.709
  402    H    ASN 156           HN       ASN 156  -8.163  -8.786   1.871
  403    HA   ASN 156           HA       ASN 156  -6.390 -10.864   2.923
  404   1HB   ASN 156          HB2       ASN 156  -8.457 -11.242   1.303
  405   2HB   ASN 156          HB3       ASN 156  -7.262 -10.856   0.065
  406   1HD2  ASN 156          HD21      ASN 156  -6.504 -12.379   3.099
  407   2HD2  ASN 156          HD22      ASN 156  -6.052 -13.913   2.448
  408    H    ILE 157           HN       ILE 157  -4.314 -10.292   2.958
  409    HA   ILE 157           HA       ILE 157  -3.676  -7.996   1.366
  410    HB   ILE 157           HB       ILE 157  -2.186  -9.326   3.639
  411   1HG1  ILE 157          HG12      ILE 157  -3.734  -6.737   3.546
  412   2HG1  ILE 157          HG13      ILE 157  -4.325  -8.262   4.193
  413   1HG2  ILE 157          HG21      ILE 157  -1.494  -6.602   2.634
  414   2HG2  ILE 157          HG22      ILE 157  -0.560  -7.686   3.660
  415   3HG2  ILE 157          HG23      ILE 157  -0.749  -8.044   1.947
  416   1HD1  ILE 157          HD11      ILE 157  -2.646  -8.212   5.928
  417   2HD1  ILE 157          HD12      ILE 157  -1.980  -6.721   5.262
  418   3HD1  ILE 157          HD13      ILE 157  -3.604  -6.731   5.947
  419    H    LEU 158           HN       LEU 158  -2.678 -11.343   1.536
  420    HA   LEU 158           HA       LEU 158  -0.230 -11.056   0.194
  421   1HB   LEU 158          HB2       LEU 158  -0.435 -13.490  -0.257
  422   2HB   LEU 158          HB3       LEU 158  -0.647 -13.053   1.426
  423    HG   LEU 158           HG       LEU 158  -3.064 -13.410  -0.308
  424   1HD1  LEU 158          HD11      LEU 158  -3.102 -15.788   0.282
  425   2HD1  LEU 158          HD12      LEU 158  -1.705 -15.394  -0.721
  426   3HD1  LEU 158          HD13      LEU 158  -1.505 -15.629   1.014
  427   1HD2  LEU 158          HD21      LEU 158  -4.048 -14.136   1.812
  428   2HD2  LEU 158          HD22      LEU 158  -2.490 -13.925   2.610
  429   3HD2  LEU 158          HD23      LEU 158  -3.339 -12.527   1.953
  430    H    LEU 159           HN       LEU 159  -2.985 -10.042  -1.102
  431    HA   LEU 159           HA       LEU 159  -2.537 -11.206  -3.751
  432   1HB   LEU 159          HB2       LEU 159  -4.826  -9.686  -2.523
  433   2HB   LEU 159          HB3       LEU 159  -4.655  -9.792  -4.262
  434    HG   LEU 159           HG       LEU 159  -4.840 -12.236  -4.144
  435   1HD1  LEU 159          HD11      LEU 159  -5.493 -13.323  -2.056
  436   2HD1  LEU 159          HD12      LEU 159  -3.887 -12.604  -1.940
  437   3HD1  LEU 159          HD13      LEU 159  -5.268 -11.799  -1.195
  438   1HD2  LEU 159          HD21      LEU 159  -7.200 -12.352  -3.511
  439   2HD2  LEU 159          HD22      LEU 159  -7.065 -10.787  -2.712
  440   3HD2  LEU 159          HD23      LEU 159  -6.862 -10.906  -4.461
  441    H    PHE 160           HN       PHE 160  -2.058  -8.412  -1.807
  442    HA   PHE 160           HA       PHE 160  -1.731  -6.686  -4.110
  443   1HB   PHE 160          HB2       PHE 160  -1.647  -6.126  -1.150
  444   2HB   PHE 160          HB3       PHE 160  -1.290  -4.902  -2.363
  445    HD1  PHE 160           HD1      PHE 160  -3.931  -7.187  -1.121
  446    HD2  PHE 160           HD2      PHE 160  -3.007  -3.745  -3.448
  447    HE1  PHE 160           HE1      PHE 160  -6.329  -6.657  -1.280
  448    HE2  PHE 160           HE2      PHE 160  -5.401  -3.207  -3.612
  449    HZ   PHE 160           HZ       PHE 160  -7.066  -4.661  -2.526
  450    H    GLN 161           HN       GLN 161   0.088  -8.679  -2.156
  451    HA   GLN 161           HA       GLN 161   2.470  -7.597  -1.530
  452   1HB   GLN 161          HB2       GLN 161   2.015 -10.308  -2.747
  453   2HB   GLN 161          HB3       GLN 161   3.507  -9.819  -1.954
  454   1HG   GLN 161          HG2       GLN 161   2.248  -9.424   0.117
  455   2HG   GLN 161          HG3       GLN 161   0.784  -9.991  -0.685
  456   1HE2  GLN 161          HE21      GLN 161   2.119 -11.042   1.668
  457   2HE2  GLN 161          HE22      GLN 161   2.508 -12.691   1.299
  458    H    ASN 162           HN       ASN 162   1.491  -8.323  -4.822
  459    HA   ASN 162           HA       ASN 162   4.238  -7.838  -5.743
  460   1HB   ASN 162          HB2       ASN 162   1.896  -9.113  -7.177
  461   2HB   ASN 162          HB3       ASN 162   3.489  -8.855  -7.884
  462   1HD2  ASN 162          HD21      ASN 162   1.612 -10.722  -5.654
  463   2HD2  ASN 162          HD22      ASN 162   2.807 -11.932  -5.338
  464    H    ILE 163           HN       ILE 163   1.563  -6.142  -5.173
  465    HA   ILE 163           HA       ILE 163   1.674  -4.513  -7.594
  466    HB   ILE 163           HB       ILE 163  -0.130  -4.338  -5.152
  467   1HG1  ILE 163          HG12      ILE 163  -0.746  -5.347  -7.931
  468   2HG1  ILE 163          HG13      ILE 163  -0.512  -6.355  -6.506
  469   1HG2  ILE 163          HG21      ILE 163   0.235  -2.178  -6.389
  470   2HG2  ILE 163          HG22      ILE 163  -0.572  -2.935  -7.763
  471   3HG2  ILE 163          HG23      ILE 163  -1.440  -2.716  -6.244
  472   1HD1  ILE 163          HD11      ILE 163  -2.458  -5.328  -5.459
  473   2HD1  ILE 163          HD12      ILE 163  -2.688  -4.312  -6.883
  474   3HD1  ILE 163          HD13      ILE 163  -2.872  -6.063  -7.010
  475    H    ASP 164           HN       ASP 164   2.850  -2.776  -7.758
  476    HA   ASP 164           HA       ASP 164   4.240  -1.698  -5.468
  477   1HB   ASP 164          HB2       ASP 164   4.225  -0.267  -8.092
  478   2HB   ASP 164          HB3       ASP 164   5.545  -0.502  -6.954
  479    H    GLY 165           HN       GLY 165   4.292   0.796  -5.330
  480   1HA   GLY 165          HA1       GLY 165   1.726   1.795  -4.752
  481   2HA   GLY 165          HA2       GLY 165   3.185   2.762  -4.914
  482    H    LYS 166           HN       LYS 166   3.645   1.827  -7.660
  483    HA   LYS 166           HA       LYS 166   2.260   3.937  -8.985
  484   1HB   LYS 166          HB2       LYS 166   3.635   3.434 -10.795
  485   2HB   LYS 166          HB3       LYS 166   4.591   2.788  -9.469
  486   1HG   LYS 166          HG2       LYS 166   3.454   0.569  -9.941
  487   2HG   LYS 166          HG3       LYS 166   2.926   1.296 -11.460
  488   1HD   LYS 166          HD2       LYS 166   5.382   1.887 -11.842
  489   2HD   LYS 166          HD3       LYS 166   5.734   0.757 -10.534
  490   1HE   LYS 166          HE2       LYS 166   4.304   0.125 -13.114
  491   2HE   LYS 166          HE3       LYS 166   5.953  -0.328 -12.701
  492   1HZ   LYS 166          HZ1       LYS 166   3.414  -1.408 -11.674
  493   2HZ   LYS 166          HZ2       LYS 166   4.802  -1.492 -10.705
  494   3HZ   LYS 166          HZ3       LYS 166   4.792  -2.230 -12.229
  495    H    GLU 167           HN       GLU 167   1.676   0.693  -8.293
  496    HA   GLU 167           HA       GLU 167  -0.252   0.355 -10.442
  497   1HB   GLU 167          HB2       GLU 167   1.583  -1.329  -9.429
  498   2HB   GLU 167          HB3       GLU 167   0.192  -1.791  -8.468
  499   1HG   GLU 167          HG2       GLU 167   0.250  -3.228 -10.338
  500   2HG   GLU 167          HG3       GLU 167  -1.065  -2.082 -10.617
  501    H    LEU 168           HN       LEU 168  -0.029   0.903  -6.999
  502    HA   LEU 168           HA       LEU 168  -2.837   0.341  -6.550
  503   1HB   LEU 168          HB2       LEU 168  -0.941  -0.181  -4.920
  504   2HB   LEU 168          HB3       LEU 168  -0.836   1.546  -4.637
  505    HG   LEU 168           HG       LEU 168  -3.266   1.456  -3.921
  506   1HD1  LEU 168          HD11      LEU 168  -4.104  -0.729  -3.205
  507   2HD1  LEU 168          HD12      LEU 168  -3.860  -0.659  -4.951
  508   3HD1  LEU 168          HD13      LEU 168  -2.694  -1.503  -3.930
  509   1HD2  LEU 168          HD21      LEU 168  -1.404   1.619  -2.333
  510   2HD2  LEU 168          HD22      LEU 168  -2.725   0.643  -1.691
  511   3HD2  LEU 168          HD23      LEU 168  -1.274  -0.139  -2.315
  512    H    CYS 169           HN       CYS 169  -0.788   3.057  -7.117
  513    HA   CYS 169           HA       CYS 169  -2.555   5.176  -6.359
  514   1HB   CYS 169          HB2       CYS 169  -0.265   5.688  -6.703
  515   2HB   CYS 169          HB3       CYS 169  -0.277   4.960  -8.312
  516    HG   CYS 169           HG       CYS 169  -0.454   7.296  -9.382
  517    H    LYS 170           HN       LYS 170  -2.382   2.991  -9.123
  518    HA   LYS 170           HA       LYS 170  -4.419   4.608 -10.560
  519   1HB   LYS 170          HB2       LYS 170  -2.615   2.427 -11.619
  520   2HB   LYS 170          HB3       LYS 170  -3.717   3.431 -12.548
  521   1HG   LYS 170          HG2       LYS 170  -2.346   5.409 -11.935
  522   2HG   LYS 170          HG3       LYS 170  -1.202   4.314 -11.153
  523   1HD   LYS 170          HD2       LYS 170  -0.932   3.134 -13.318
  524   2HD   LYS 170          HD3       LYS 170  -1.973   4.345 -14.068
  525   1HE   LYS 170          HE2       LYS 170   0.249   5.011 -14.519
  526   2HE   LYS 170          HE3       LYS 170  -0.339   6.084 -13.250
  527   1HZ   LYS 170          HZ1       LYS 170   1.949   5.222 -12.896
  528   2HZ   LYS 170          HZ2       LYS 170   1.302   3.662 -12.735
  529   3HZ   LYS 170          HZ3       LYS 170   0.886   4.873 -11.624
  530    H    MET 171           HN       MET 171  -4.836   2.821  -8.262
  531    HA   MET 171           HA       MET 171  -6.605   0.849  -9.504
  532   1HB   MET 171          HB2       MET 171  -6.063   1.439  -6.598
  533   2HB   MET 171          HB3       MET 171  -7.081   0.140  -7.206
  534   1HG   MET 171          HG2       MET 171  -4.185   0.376  -7.927
  535   2HG   MET 171          HG3       MET 171  -4.739  -0.413  -6.460
  536   1HE   MET 171          HE1       MET 171  -7.060  -2.185  -6.903
  537   2HE   MET 171          HE2       MET 171  -6.356  -3.649  -7.586
  538   3HE   MET 171          HE3       MET 171  -5.519  -2.787  -6.297
  539    H    THR 172           HN       THR 172  -8.821   1.076  -9.538
  540    HA   THR 172           HA       THR 172  -9.929   3.521  -8.366
  541    HB   THR 172           HB       THR 172 -12.004   2.933  -9.544
  542    HG1  THR 172           HG1      THR 172 -10.469   0.729 -10.528
  543   1HG2  THR 172          HG21      THR 172 -11.199   3.312 -11.830
  544   2HG2  THR 172          HG22      THR 172  -9.564   2.899 -11.317
  545   3HG2  THR 172          HG23      THR 172 -10.353   4.337 -10.670
  546    H    LYS 173           HN       LYS 173 -12.216   3.192  -7.438
  547    HA   LYS 173           HA       LYS 173 -12.120   1.649  -5.124
  548   1HB   LYS 173          HB2       LYS 173 -14.518   2.061  -4.918
  549   2HB   LYS 173          HB3       LYS 173 -13.663   3.517  -5.400
  550   1HG   LYS 173          HG2       LYS 173 -14.384   3.189  -7.706
  551   2HG   LYS 173          HG3       LYS 173 -15.232   1.713  -7.235
  552   1HD   LYS 173          HD2       LYS 173 -15.812   4.446  -6.095
  553   2HD   LYS 173          HD3       LYS 173 -16.706   3.719  -7.432
  554   1HE   LYS 173          HE2       LYS 173 -16.400   2.363  -4.770
  555   2HE   LYS 173          HE3       LYS 173 -17.710   3.493  -5.104
  556   1HZ   LYS 173          HZ1       LYS 173 -18.316   1.137  -5.464
  557   2HZ   LYS 173          HZ2       LYS 173 -17.164   1.048  -6.708
  558   3HZ   LYS 173          HZ3       LYS 173 -18.493   2.089  -6.853
  559    H    ASP 174           HN       ASP 174 -12.998   0.698  -8.385
  560    HA   ASP 174           HA       ASP 174 -14.500  -1.602  -7.487
  561   1HB   ASP 174          HB2       ASP 174 -14.969  -0.196  -9.580
  562   2HB   ASP 174          HB3       ASP 174 -13.579  -1.005 -10.297
  563    H    ASP 175           HN       ASP 175 -11.276  -0.799  -8.391
  564    HA   ASP 175           HA       ASP 175 -10.394  -3.420  -9.133
  565   1HB   ASP 175          HB2       ASP 175  -8.933  -0.905  -8.320
  566   2HB   ASP 175          HB3       ASP 175  -8.112  -2.396  -8.741
  567    H    PHE 176           HN       PHE 176 -10.613  -1.648  -6.143
  568    HA   PHE 176           HA       PHE 176  -9.172  -3.704  -4.718
  569   1HB   PHE 176          HB2       PHE 176 -10.876  -1.404  -3.713
  570   2HB   PHE 176          HB3       PHE 176 -10.118  -2.567  -2.641
  571    HD1  PHE 176           HD1      PHE 176  -9.406   0.019  -5.182
  572    HD2  PHE 176           HD2      PHE 176  -7.915  -2.275  -1.926
  573    HE1  PHE 176           HE1      PHE 176  -7.367   1.395  -5.150
  574    HE2  PHE 176           HE2      PHE 176  -5.878  -0.902  -1.887
  575    HZ   PHE 176           HZ       PHE 176  -5.628   0.970  -3.411
  576    H    GLN 177           HN       GLN 177 -12.378  -3.219  -5.808
  577    HA   GLN 177           HA       GLN 177 -13.631  -4.876  -3.840
  578   1HB   GLN 177          HB2       GLN 177 -14.580  -3.988  -6.566
  579   2HB   GLN 177          HB3       GLN 177 -15.575  -4.795  -5.366
  580   1HG   GLN 177          HG2       GLN 177 -15.170  -2.898  -3.830
  581   2HG   GLN 177          HG3       GLN 177 -14.283  -2.102  -5.126
  582   1HE2  GLN 177          HE21      GLN 177 -16.684  -1.262  -3.717
  583   2HE2  GLN 177          HE22      GLN 177 -17.904  -1.040  -4.923
  584    H    ARG 178           HN       ARG 178 -11.525  -5.608  -6.319
  585    HA   ARG 178           HA       ARG 178 -12.763  -8.221  -6.902
  586   1HB   ARG 178          HB2       ARG 178 -11.375  -8.388  -8.792
  587   2HB   ARG 178          HB3       ARG 178 -11.800  -6.681  -8.765
  588   1HG   ARG 178          HG2       ARG 178  -9.697  -6.050  -7.959
  589   2HG   ARG 178          HG3       ARG 178  -9.285  -7.697  -7.489
  590   1HD   ARG 178          HD2       ARG 178  -8.060  -7.426  -9.423
  591   2HD   ARG 178          HD3       ARG 178  -9.521  -8.209 -10.019
  592    HE   ARG 178           HE       ARG 178 -10.010  -5.514 -10.240
  593   1HH1  ARG 178          HH12      ARG 178  -7.644  -7.786 -11.487
  594   2HH1  ARG 178          HH11      ARG 178  -7.298  -6.838 -12.905
  595   1HH2  ARG 178          HH22      ARG 178  -9.494  -4.235 -12.073
  596   2HH2  ARG 178          HH21      ARG 178  -8.349  -4.825 -13.235
  597    H    LEU 179           HN       LEU 179 -10.754  -6.846  -4.728
  598    HA   LEU 179           HA       LEU 179  -9.440  -9.428  -4.209
  599   1HB   LEU 179          HB2       LEU 179  -8.275  -6.703  -3.605
  600   2HB   LEU 179          HB3       LEU 179  -7.497  -8.254  -3.359
  601    HG   LEU 179           HG       LEU 179  -8.220  -7.087  -6.054
  602   1HD1  LEU 179          HD11      LEU 179  -5.552  -7.317  -4.673
  603   2HD1  LEU 179          HD12      LEU 179  -5.802  -6.798  -6.339
  604   3HD1  LEU 179          HD13      LEU 179  -6.430  -5.827  -5.008
  605   1HD2  LEU 179          HD21      LEU 179  -6.852  -8.908  -6.955
  606   2HD2  LEU 179          HD22      LEU 179  -6.647  -9.554  -5.326
  607   3HD2  LEU 179          HD23      LEU 179  -8.248  -9.521  -6.065
  608    H    THR 180           HN       THR 180 -11.210  -6.724  -3.115
  609    HA   THR 180           HA       THR 180 -11.996  -7.971  -0.667
  610    HB   THR 180           HB       THR 180 -10.439  -5.371  -0.490
  611    HG1  THR 180           HG1      THR 180  -9.532  -7.855  -0.499
  612   1HG2  THR 180          HG21      THR 180 -11.690  -7.067   1.672
  613   2HG2  THR 180          HG22      THR 180 -12.324  -5.533   1.078
  614   3HG2  THR 180          HG23      THR 180 -10.772  -5.580   1.917
  615    HA   PRO 181           HA       PRO 181 -15.081  -5.678  -3.010
  616   1HB   PRO 181          HB2       PRO 181 -17.266  -6.903  -1.956
  617   2HB   PRO 181          HB3       PRO 181 -16.230  -7.649  -3.180
  618   1HG   PRO 181          HG2       PRO 181 -16.235  -8.041  -0.211
  619   2HG   PRO 181          HG3       PRO 181 -16.123  -9.254  -1.499
  620   1HD   PRO 181          HD2       PRO 181 -13.954  -8.388  -0.155
  621   2HD   PRO 181          HD3       PRO 181 -13.882  -8.837  -1.871
  622    H    SER 182           HN       SER 182 -14.995  -3.607  -2.258
  623    HA   SER 182           HA       SER 182 -15.783  -1.707  -1.300
  624   1HB   SER 182          HB2       SER 182 -18.037  -3.489  -0.338
  625   2HB   SER 182          HB3       SER 182 -18.062  -1.725  -0.404
  626    HG   SER 182           HG       SER 182 -18.809  -2.016  -2.340
  627    H    TYR 183           HN       TYR 183 -16.676  -0.829   0.947
  628    HA   TYR 183           HA       TYR 183 -16.538  -0.620   3.212
  629   1HB   TYR 183          HB2       TYR 183 -17.396  -2.944   3.251
  630   2HB   TYR 183          HB3       TYR 183 -15.742  -3.533   3.169
  631    HD1  TYR 183           HD1      TYR 183 -14.286  -3.426   5.116
  632    HD2  TYR 183           HD2      TYR 183 -18.289  -2.003   5.303
  633    HE1  TYR 183           HE1      TYR 183 -14.146  -3.375   7.570
  634    HE2  TYR 183           HE2      TYR 183 -18.162  -1.951   7.754
  635    HH   TYR 183           HH       TYR 183 -15.331  -2.068   9.455
  636    H    ASN 184           HN       ASN 184 -13.952  -2.906   2.385
  637    HA   ASN 184           HA       ASN 184 -12.041  -1.405   3.995
  638   1HB   ASN 184          HB2       ASN 184 -11.484  -3.819   2.264
  639   2HB   ASN 184          HB3       ASN 184 -10.518  -3.218   3.604
  640   1HD2  ASN 184          HD21      ASN 184 -11.155  -3.676   5.700
  641   2HD2  ASN 184          HD22      ASN 184 -12.369  -4.849   6.050
  642    H    ALA 185           HN       ALA 185 -12.946  -2.038   0.713
  643    HA   ALA 185           HA       ALA 185 -10.742  -1.006  -0.711
  644   1HB   ALA 185          HB1       ALA 185 -12.362  -0.656  -2.514
  645   2HB   ALA 185          HB2       ALA 185 -12.563  -2.241  -1.765
  646   3HB   ALA 185          HB3       ALA 185 -13.685  -0.936  -1.380
  647    H    ASP 186           HN       ASP 186 -13.819   0.509   0.183
  648    HA   ASP 186           HA       ASP 186 -13.158   3.223  -0.290
  649   1HB   ASP 186          HB2       ASP 186 -14.986   2.113   1.856
  650   2HB   ASP 186          HB3       ASP 186 -15.029   3.729   1.166
  651    H    ILE 187           HN       ILE 187 -12.844   1.538   2.869
  652    HA   ILE 187           HA       ILE 187 -11.609   3.595   4.154
  653    HB   ILE 187           HB       ILE 187 -10.960   0.644   4.359
  654   1HG1  ILE 187          HG12      ILE 187 -12.571   2.558   6.065
  655   2HG1  ILE 187          HG13      ILE 187 -13.239   1.346   4.978
  656   1HG2  ILE 187          HG21      ILE 187  -9.860   1.190   6.481
  657   2HG2  ILE 187          HG22      ILE 187  -9.027   1.910   5.102
  658   3HG2  ILE 187          HG23      ILE 187 -10.053   2.908   6.134
  659   1HD1  ILE 187          HD11      ILE 187 -12.255  -0.418   6.357
  660   2HD1  ILE 187          HD12      ILE 187 -11.613   0.808   7.451
  661   3HD1  ILE 187          HD13      ILE 187 -13.357   0.609   7.277
  662    H    LEU 188           HN       LEU 188  -9.793   1.091   2.341
  663    HA   LEU 188           HA       LEU 188  -7.268   2.200   2.708
  664   1HB   LEU 188          HB2       LEU 188  -8.253   0.575   0.386
  665   2HB   LEU 188          HB3       LEU 188  -6.576   0.904   0.788
  666    HG   LEU 188           HG       LEU 188  -8.490  -0.598   2.575
  667   1HD1  LEU 188          HD11      LEU 188  -6.311  -1.643   0.773
  668   2HD1  LEU 188          HD12      LEU 188  -7.261  -2.597   1.913
  669   3HD1  LEU 188          HD13      LEU 188  -8.046  -1.844   0.526
  670   1HD2  LEU 188          HD21      LEU 188  -5.501  -0.234   2.707
  671   2HD2  LEU 188          HD22      LEU 188  -6.683   0.554   3.754
  672   3HD2  LEU 188          HD23      LEU 188  -6.483  -1.198   3.811
  673    H    LEU 189           HN       LEU 189  -9.529   2.614  -0.029
  674    HA   LEU 189           HA       LEU 189  -7.650   3.934  -1.706
  675   1HB   LEU 189          HB2       LEU 189  -9.747   2.714  -2.386
  676   2HB   LEU 189          HB3       LEU 189 -10.632   4.144  -1.890
  677    HG   LEU 189           HG       LEU 189  -9.384   5.494  -3.520
  678   1HD1  LEU 189          HD11      LEU 189  -7.301   4.234  -3.564
  679   2HD1  LEU 189          HD12      LEU 189  -8.122   2.863  -4.313
  680   3HD1  LEU 189          HD13      LEU 189  -7.962   4.384  -5.192
  681   1HD2  LEU 189          HD21      LEU 189 -11.511   4.471  -4.164
  682   2HD2  LEU 189          HD22      LEU 189 -10.405   4.582  -5.536
  683   3HD2  LEU 189          HD23      LEU 189 -10.651   3.037  -4.723
  684    H    SER 190           HN       SER 190 -10.420   5.193   0.185
  685    HA   SER 190           HA       SER 190 -10.008   7.884  -0.457
  686   1HB   SER 190          HB2       SER 190 -11.120   6.863   2.161
  687   2HB   SER 190          HB3       SER 190 -11.493   8.385   1.352
  688    HG   SER 190           HG       SER 190 -12.372   5.792   0.796
  689    H    HIS 191           HN       HIS 191  -8.468   5.779   1.819
  690    HA   HIS 191           HA       HIS 191  -7.232   7.883   3.335
  691   1HB   HIS 191          HB2       HIS 191  -7.135   4.897   3.323
  692   2HB   HIS 191          HB3       HIS 191  -5.858   5.776   4.155
  693    HD2  HIS 191           HD2      HIS 191  -7.657   8.098   5.549
  694    HE1  HIS 191           HE1      HIS 191  -9.857   4.850   7.127
  695    HE2  HIS 191           HE2      HIS 191  -9.505   7.361   7.217
  696    H    LEU 192           HN       LEU 192  -6.287   5.698   0.736
  697    HA   LEU 192           HA       LEU 192  -3.612   6.471   0.577
  698   1HB   LEU 192          HB2       LEU 192  -4.954   4.565  -0.613
  699   2HB   LEU 192          HB3       LEU 192  -5.196   5.766  -1.868
  700    HG   LEU 192           HG       LEU 192  -2.576   5.995  -1.684
  701   1HD1  LEU 192          HD11      LEU 192  -2.371   4.474   0.201
  702   2HD1  LEU 192          HD12      LEU 192  -3.072   3.174  -0.762
  703   3HD1  LEU 192          HD13      LEU 192  -1.512   3.861  -1.213
  704   1HD2  LEU 192          HD21      LEU 192  -3.799   5.371  -3.696
  705   2HD2  LEU 192          HD22      LEU 192  -2.348   4.389  -3.493
  706   3HD2  LEU 192          HD23      LEU 192  -3.932   3.712  -3.107
  707    H    HIS 193           HN       HIS 193  -6.515   7.658  -0.953
  708    HA   HIS 193           HA       HIS 193  -5.485   9.549  -2.705
  709   1HB   HIS 193          HB2       HIS 193  -8.089   9.289  -1.271
  710   2HB   HIS 193          HB3       HIS 193  -7.741  10.792  -2.118
  711    HD2  HIS 193           HD2      HIS 193  -7.445   6.995  -3.216
  712    HE1  HIS 193           HE1      HIS 193  -9.305   9.276  -6.253
  713    HE2  HIS 193           HE2      HIS 193  -8.300   7.023  -5.667
  714    H    TYR 194           HN       TYR 194  -6.223   9.918   0.756
  715    HA   TYR 194           HA       TYR 194  -5.664  12.671   0.890
  716   1HB   TYR 194          HB2       TYR 194  -6.901  11.622   2.672
  717   2HB   TYR 194          HB3       TYR 194  -5.573  10.515   3.008
  718    HD1  TYR 194           HD1      TYR 194  -6.624  14.058   3.182
  719    HD2  TYR 194           HD2      TYR 194  -3.798  11.141   4.446
  720    HE1  TYR 194           HE1      TYR 194  -5.751  15.632   4.853
  721    HE2  TYR 194           HE2      TYR 194  -2.918  12.709   6.120
  722    HH   TYR 194           HH       TYR 194  -2.833  15.081   6.558
  723    H    LEU 195           HN       LEU 195  -3.636   9.835   1.663
  724    HA   LEU 195           HA       LEU 195  -1.311  11.069   2.411
  725   1HB   LEU 195          HB2       LEU 195  -1.825   8.549   0.904
  726   2HB   LEU 195          HB3       LEU 195  -0.239   9.010   1.456
  727    HG   LEU 195           HG       LEU 195  -2.637   8.543   3.224
  728   1HD1  LEU 195          HD11      LEU 195  -1.819   6.473   2.267
  729   2HD1  LEU 195          HD12      LEU 195  -0.172   6.874   2.756
  730   3HD1  LEU 195          HD13      LEU 195  -1.404   6.561   3.980
  731   1HD2  LEU 195          HD21      LEU 195  -1.116  10.224   4.133
  732   2HD2  LEU 195          HD22      LEU 195  -1.049   8.730   5.070
  733   3HD2  LEU 195          HD23      LEU 195   0.239   9.115   3.928
  734    H    ARG 196           HN       ARG 196  -2.441  10.298  -0.815
  735    HA   ARG 196           HA       ARG 196  -0.056  10.899  -2.225
  736   1HB   ARG 196          HB2       ARG 196  -1.561   9.350  -3.083
  737   2HB   ARG 196          HB3       ARG 196  -2.904  10.492  -3.055
  738   1HG   ARG 196          HG2       ARG 196  -2.126  11.619  -4.931
  739   2HG   ARG 196          HG3       ARG 196  -0.481  11.012  -4.732
  740   1HD   ARG 196          HD2       ARG 196  -1.679   9.964  -6.622
  741   2HD   ARG 196          HD3       ARG 196  -1.155   8.807  -5.408
  742    HE   ARG 196           HE       ARG 196  -3.352   8.335  -4.928
  743   1HH1  ARG 196          HH12      ARG 196  -3.233  11.213  -6.934
  744   2HH1  ARG 196          HH11      ARG 196  -4.917  11.117  -7.369
  745   1HH2  ARG 196          HH22      ARG 196  -5.555   8.215  -5.515
  746   2HH2  ARG 196          HH21      ARG 196  -6.222   9.424  -6.568
  747    H    GLU 197           HN       GLU 197  -2.429  13.008  -0.927
  748    HA   GLU 197           HA       GLU 197  -2.410  15.037  -2.879
  749   1HB   GLU 197          HB2       GLU 197  -2.710  15.338   0.114
  750   2HB   GLU 197          HB3       GLU 197  -3.148  16.544  -1.087
  751   1HG   GLU 197          HG2       GLU 197  -4.789  14.946  -2.024
  752   2HG   GLU 197          HG3       GLU 197  -4.401  13.834  -0.714
  753    H    THR 198           HN       THR 198  -0.116  14.084  -0.485
  754    HA   THR 198           HA       THR 198   1.606  16.354  -1.193
  755    HB   THR 198           HB       THR 198   2.993  15.455   0.789
  756    HG1  THR 198           HG1      THR 198   1.383  13.497   0.738
  757   1HG2  THR 198          HG21      THR 198   0.245  16.608   1.285
  758   2HG2  THR 198          HG22      THR 198   1.697  17.526   0.882
  759   3HG2  THR 198          HG23      THR 198   1.599  16.655   2.412
  760    HA   PRO 199           HA       PRO 199   3.752  13.137  -3.474
  761   1HB   PRO 199          HB2       PRO 199   4.742  14.874  -5.349
  762   2HB   PRO 199          HB3       PRO 199   3.111  14.203  -5.375
  763   1HG   PRO 199          HG2       PRO 199   3.910  16.934  -4.932
  764   2HG   PRO 199          HG3       PRO 199   2.272  16.272  -5.030
  765   1HD   PRO 199          HD2       PRO 199   3.895  16.929  -2.654
  766   2HD   PRO 199          HD3       PRO 199   2.132  16.776  -2.813
  767    H    LEU 200           HN       LEU 200   5.725  12.291  -3.316
  768    HA   LEU 200           HA       LEU 200   7.971  13.573  -2.157
  769   1HB   LEU 200          HB2       LEU 200   7.414  11.076  -2.347
  770   2HB   LEU 200          HB3       LEU 200   8.018  11.168  -3.981
  771    HG   LEU 200           HG       LEU 200   9.594  10.180  -2.363
  772   1HD1  LEU 200          HD11      LEU 200  11.570  11.430  -3.082
  773   2HD1  LEU 200          HD12      LEU 200  10.439  11.181  -4.411
  774   3HD1  LEU 200          HD13      LEU 200  10.539  12.755  -3.622
  775   1HD2  LEU 200          HD21      LEU 200  10.764  11.655  -0.781
  776   2HD2  LEU 200          HD22      LEU 200   9.658  12.965  -1.196
  777   3HD2  LEU 200          HD23      LEU 200   9.046  11.510  -0.410
  778    HA   PRO 201           HA       PRO 201   9.465  14.442  -6.556
  779   1HB   PRO 201          HB2       PRO 201   8.251  13.212  -8.689
  780   2HB   PRO 201          HB3       PRO 201   9.582  12.508  -7.769
  781   1HG   PRO 201          HG2       PRO 201   6.845  11.633  -7.905
  782   2HG   PRO 201          HG3       PRO 201   8.196  10.883  -7.044
  783   1HD   PRO 201          HD2       PRO 201   6.064  12.642  -6.022
  784   2HD   PRO 201          HD3       PRO 201   7.101  11.499  -5.146
  Start of MODEL    4
    1   1H    GLY 105           H1       GLY 105   6.123 -18.386  -4.473
    2   2H    GLY 105           H2       GLY 105   4.947 -19.299  -5.281
    3   3H    GLY 105           H3       GLY 105   4.480 -18.125  -4.151
    4   1HA   GLY 105          HA2       GLY 105   4.118 -17.274  -6.354
    5   2HA   GLY 105          HA1       GLY 105   5.419 -16.383  -5.572
    6    H    SER 106           HN       SER 106   6.580 -15.792  -7.364
    7    HA   SER 106           HA       SER 106   7.696 -18.015  -8.944
    8   1HB   SER 106          HB2       SER 106   6.073 -16.582 -10.219
    9   2HB   SER 106          HB3       SER 106   7.148 -15.210  -9.952
   10    HG   SER 106           HG       SER 106   7.872 -15.933 -11.829
   11    H    HIS 107           HN       HIS 107   9.614 -18.242  -7.873
   12    HA   HIS 107           HA       HIS 107  11.119 -15.917  -7.042
   13   1HB   HIS 107          HB2       HIS 107  10.992 -18.084  -5.734
   14   2HB   HIS 107          HB3       HIS 107  12.020 -18.802  -6.968
   15    HD2  HIS 107           HD2      HIS 107  14.653 -18.549  -6.503
   16    HE1  HIS 107           HE1      HIS 107  14.399 -15.453  -3.628
   17    HE2  HIS 107           HE2      HIS 107  15.924 -17.166  -4.711
   18    H    MET 108           HN       MET 108  10.950 -15.411  -9.515
   19    HA   MET 108           HA       MET 108  13.672 -15.646 -10.454
   20   1HB   MET 108          HB2       MET 108  12.909 -16.279 -12.784
   21   2HB   MET 108          HB3       MET 108  12.849 -17.559 -11.585
   22   1HG   MET 108          HG2       MET 108  10.888 -17.740 -12.872
   23   2HG   MET 108          HG3       MET 108  10.406 -17.064 -11.320
   24   1HE   MET 108          HE1       MET 108  12.159 -15.245 -14.360
   25   2HE   MET 108          HE2       MET 108  11.028 -16.363 -15.123
   26   3HE   MET 108          HE3       MET 108  10.753 -14.624 -15.226
   27    H    GLU 109           HN       GLU 109  11.034 -13.869  -9.832
   28    HA   GLU 109           HA       GLU 109  11.004 -12.158 -12.129
   29   1HB   GLU 109          HB2       GLU 109   9.746 -11.831  -9.403
   30   2HB   GLU 109          HB3       GLU 109   9.480 -10.749 -10.763
   31   1HG   GLU 109          HG2       GLU 109   8.604 -12.696 -12.044
   32   2HG   GLU 109          HG3       GLU 109   8.711 -13.647 -10.562
   33    H    GLU 110           HN       GLU 110  11.481 -11.187  -8.743
   34    HA   GLU 110           HA       GLU 110  12.738  -9.544  -7.791
   35   1HB   GLU 110          HB2       GLU 110  14.563 -11.088  -8.705
   36   2HB   GLU 110          HB3       GLU 110  14.703  -9.970 -10.053
   37   1HG   GLU 110          HG2       GLU 110  15.183  -8.165  -8.377
   38   2HG   GLU 110          HG3       GLU 110  15.268  -9.429  -7.151
   39    H    LYS 111           HN       LYS 111  14.020  -7.381  -8.497
   40    HA   LYS 111           HA       LYS 111  14.182  -5.438  -9.673
   41   1HB   LYS 111          HB2       LYS 111  12.505  -6.751 -11.820
   42   2HB   LYS 111          HB3       LYS 111  13.481  -5.296 -11.987
   43   1HG   LYS 111          HG2       LYS 111  15.502  -6.533 -11.734
   44   2HG   LYS 111          HG3       LYS 111  14.616  -7.996 -11.303
   45   1HD   LYS 111          HD2       LYS 111  13.560  -7.886 -13.591
   46   2HD   LYS 111          HD3       LYS 111  14.724  -6.616 -13.977
   47   1HE   LYS 111          HE2       LYS 111  15.399  -9.419 -13.090
   48   2HE   LYS 111          HE3       LYS 111  15.489  -8.817 -14.744
   49   1HZ   LYS 111          HZ1       LYS 111  17.642  -8.865 -13.519
   50   2HZ   LYS 111          HZ2       LYS 111  17.045  -7.653 -12.496
   51   3HZ   LYS 111          HZ3       LYS 111  17.233  -7.348 -14.153
   52    H    HIS 112           HN       HIS 112  11.248  -6.897  -8.825
   53    HA   HIS 112           HA       HIS 112   9.589  -4.575  -9.221
   54   1HB   HIS 112          HB2       HIS 112   9.107  -7.092  -7.605
   55   2HB   HIS 112          HB3       HIS 112   7.908  -5.839  -7.893
   56    HD2  HIS 112           HD2      HIS 112   9.368  -8.963  -9.549
   57    HE1  HIS 112           HE1      HIS 112   6.721  -7.147 -12.303
   58    HE2  HIS 112           HE2      HIS 112   7.964  -9.276 -11.706
   59    H    MET 113           HN       MET 113  11.885  -5.594  -6.963
   60    HA   MET 113           HA       MET 113  10.867  -3.727  -4.920
   61   1HB   MET 113          HB2       MET 113  12.861  -5.969  -4.519
   62   2HB   MET 113          HB3       MET 113  12.123  -4.981  -3.269
   63   1HG   MET 113          HG2       MET 113   9.940  -5.951  -3.804
   64   2HG   MET 113          HG3       MET 113  10.695  -6.949  -5.041
   65   1HE   MET 113          HE1       MET 113  11.583  -7.355  -0.531
   66   2HE   MET 113          HE2       MET 113  12.170  -6.012  -1.512
   67   3HE   MET 113          HE3       MET 113  10.442  -6.190  -1.202
   68    HA   PRO 114           HA       PRO 114  14.647  -1.750  -6.550
   69   1HB   PRO 114          HB2       PRO 114  13.684   0.728  -6.771
   70   2HB   PRO 114          HB3       PRO 114  13.229  -0.528  -7.928
   71   1HG   PRO 114          HG2       PRO 114  11.681   0.588  -5.635
   72   2HG   PRO 114          HG3       PRO 114  11.113   0.090  -7.237
   73   1HD   PRO 114          HD2       PRO 114  10.960  -1.429  -4.899
   74   2HD   PRO 114          HD3       PRO 114  10.785  -2.049  -6.552
   75    HA   PRO 115           HA       PRO 115  16.262   0.170  -2.813
   76   1HB   PRO 115          HB2       PRO 115  17.646   2.269  -3.946
   77   2HB   PRO 115          HB3       PRO 115  18.267   0.621  -3.820
   78   1HG   PRO 115          HG2       PRO 115  17.000   2.000  -6.147
   79   2HG   PRO 115          HG3       PRO 115  18.381   0.887  -6.118
   80   1HD   PRO 115          HD2       PRO 115  15.930   0.093  -6.886
   81   2HD   PRO 115          HD3       PRO 115  17.027  -0.985  -6.000
   82    HA   PRO 116           HA       PRO 116  13.200   2.893  -1.352
   83   1HB   PRO 116          HB2       PRO 116  15.566   4.512  -0.471
   84   2HB   PRO 116          HB3       PRO 116  14.090   4.113   0.419
   85   1HG   PRO 116          HG2       PRO 116  16.355   2.742   0.810
   86   2HG   PRO 116          HG3       PRO 116  14.772   1.947   0.848
   87   1HD   PRO 116          HD2       PRO 116  16.916   1.752  -1.160
   88   2HD   PRO 116          HD3       PRO 116  15.567   0.647  -0.840
   89    H    ASN 117           HN       ASN 117  12.211   3.796  -3.055
   90    HA   ASN 117           HA       ASN 117  13.299   5.665  -4.860
   91   1HB   ASN 117          HB2       ASN 117  10.385   5.233  -4.135
   92   2HB   ASN 117          HB3       ASN 117  10.986   6.022  -5.588
   93   1HD2  ASN 117          HD21      ASN 117   9.912   4.585  -6.924
   94   2HD2  ASN 117          HD22      ASN 117  10.428   2.951  -7.132
   95    H    MET 118           HN       MET 118  11.838   5.977  -1.751
   96    HA   MET 118           HA       MET 118  11.429   8.863  -2.133
   97   1HB   MET 118          HB2       MET 118   9.777   8.708  -0.351
   98   2HB   MET 118          HB3       MET 118   9.405   7.581  -1.648
   99   1HG   MET 118          HG2       MET 118  10.839   6.785   0.875
  100   2HG   MET 118          HG3       MET 118   9.090   6.710   0.684
  101   1HE   MET 118          HE1       MET 118   9.954   2.941   0.515
  102   2HE   MET 118          HE2       MET 118  10.604   4.179   1.587
  103   3HE   MET 118          HE3       MET 118   8.885   4.165   1.195
  104    H    THR 119           HN       THR 119  11.653  10.190  -0.195
  105    HA   THR 119           HA       THR 119  13.953   9.438   1.438
  106    HB   THR 119           HB       THR 119  13.809  11.840   2.186
  107    HG1  THR 119           HG1      THR 119  12.295  12.755   0.155
  108   1HG2  THR 119          HG21      THR 119  15.305  11.182   0.361
  109   2HG2  THR 119          HG22      THR 119  14.629  12.788   0.078
  110   3HG2  THR 119          HG23      THR 119  13.995  11.395  -0.799
  111    H    THR 120           HN       THR 120  10.596   9.417   1.540
  112    HA   THR 120           HA       THR 120  10.472   9.792   4.450
  113    HB   THR 120           HB       THR 120   8.066   9.775   2.642
  114    HG1  THR 120           HG1      THR 120  10.121  11.613   2.692
  115   1HG2  THR 120          HG21      THR 120   7.204  11.320   4.363
  116   2HG2  THR 120          HG22      THR 120   8.728  11.179   5.240
  117   3HG2  THR 120          HG23      THR 120   7.684   9.768   5.052
  118    H    ASN 121           HN       ASN 121  10.604   7.889   5.448
  119    HA   ASN 121           HA       ASN 121   8.527   6.035   5.405
  120   1HB   ASN 121          HB2       ASN 121   9.286   5.142   3.334
  121   2HB   ASN 121          HB3       ASN 121  10.974   5.195   3.840
  122   1HD2  ASN 121          HD21      ASN 121  11.789   3.567   5.123
  123   2HD2  ASN 121          HD22      ASN 121  10.934   2.094   5.426
  124    H    GLU 122           HN       GLU 122   8.497   5.492   7.487
  125    HA   GLU 122           HA       GLU 122  10.622   4.317   8.895
  126   1HB   GLU 122          HB2       GLU 122  11.468   6.725   8.608
  127   2HB   GLU 122          HB3       GLU 122  10.204   7.186   9.736
  128   1HG   GLU 122          HG2       GLU 122  11.186   5.684  11.416
  129   2HG   GLU 122          HG3       GLU 122  12.483   5.297  10.287
  130    H    ARG 123           HN       ARG 123  10.168   4.114  11.241
  131    HA   ARG 123           HA       ARG 123   8.856   3.689  13.034
  132   1HB   ARG 123          HB2       ARG 123   6.974   5.834  12.041
  133   2HB   ARG 123          HB3       ARG 123   7.215   5.294  13.695
  134   1HG   ARG 123          HG2       ARG 123   9.266   6.742  12.030
  135   2HG   ARG 123          HG3       ARG 123   8.227   7.485  13.245
  136   1HD   ARG 123          HD2       ARG 123   9.278   6.312  15.002
  137   2HD   ARG 123          HD3       ARG 123  10.085   5.210  13.884
  138    HE   ARG 123           HE       ARG 123  11.174   7.470  13.099
  139   1HH1  ARG 123          HH12      ARG 123  10.455   6.543  16.412
  140   2HH1  ARG 123          HH11      ARG 123  11.867   7.335  17.057
  141   1HH2  ARG 123          HH22      ARG 123  12.978   8.521  13.960
  142   2HH2  ARG 123          HH21      ARG 123  13.290   8.461  15.668
  143    H    ARG 124           HN       ARG 124   5.818   4.642  11.996
  144    HA   ARG 124           HA       ARG 124   4.722   2.073  11.724
  145   1HB   ARG 124          HB2       ARG 124   2.923   3.571  10.386
  146   2HB   ARG 124          HB3       ARG 124   3.033   3.551  12.141
  147   1HG   ARG 124          HG2       ARG 124   4.410   5.568  12.087
  148   2HG   ARG 124          HG3       ARG 124   4.334   5.584  10.328
  149   1HD   ARG 124          HD2       ARG 124   2.753   7.171  11.288
  150   2HD   ARG 124          HD3       ARG 124   1.914   5.883  10.427
  151    HE   ARG 124           HE       ARG 124   1.632   4.885  12.755
  152   1HH1  ARG 124          HH12      ARG 124   1.891   8.329  12.222
  153   2HH1  ARG 124          HH11      ARG 124   0.801   8.740  13.511
  154   1HH2  ARG 124          HH22      ARG 124   0.200   5.412  14.454
  155   2HH2  ARG 124          HH21      ARG 124  -0.154   7.082  14.779
  156    H    VAL 125           HN       VAL 125   4.301   4.239   9.013
  157    HA   VAL 125           HA       VAL 125   6.192   2.710   7.420
  158    HB   VAL 125           HB       VAL 125   4.743   2.832   5.419
  159   1HG1  VAL 125          HG11      VAL 125   4.713   0.805   6.774
  160   2HG1  VAL 125          HG12      VAL 125   3.414   1.474   7.762
  161   3HG1  VAL 125          HG13      VAL 125   3.129   1.111   6.060
  162   1HG2  VAL 125          HG21      VAL 125   2.337   3.282   5.679
  163   2HG2  VAL 125          HG22      VAL 125   2.647   3.877   7.310
  164   3HG2  VAL 125          HG23      VAL 125   3.340   4.717   5.915
  165    H    ILE 126           HN       ILE 126   4.449   5.504   8.065
  166    HA   ILE 126           HA       ILE 126   4.371   7.646   7.003
  167    HB   ILE 126           HB       ILE 126   7.240   7.556   7.966
  168   1HG1  ILE 126          HG12      ILE 126   4.720   8.084   9.563
  169   2HG1  ILE 126          HG13      ILE 126   5.719   6.640   9.686
  170   1HG2  ILE 126          HG21      ILE 126   6.571   9.568   6.717
  171   2HG2  ILE 126          HG22      ILE 126   5.240   9.815   7.847
  172   3HG2  ILE 126          HG23      ILE 126   6.907   9.927   8.411
  173   1HD1  ILE 126          HD11      ILE 126   6.151   8.183  11.511
  174   2HD1  ILE 126          HD12      ILE 126   7.579   7.990  10.494
  175   3HD1  ILE 126          HD13      ILE 126   6.589   9.442  10.357
  176    H    VAL 127           HN       VAL 127   4.499   6.069   4.974
  177    HA   VAL 127           HA       VAL 127   6.903   6.192   3.426
  178    HB   VAL 127           HB       VAL 127   5.193   5.235   1.645
  179   1HG1  VAL 127          HG11      VAL 127   6.038   3.712   4.112
  180   2HG1  VAL 127          HG12      VAL 127   5.490   2.981   2.602
  181   3HG1  VAL 127          HG13      VAL 127   6.981   3.924   2.637
  182   1HG2  VAL 127          HG21      VAL 127   3.732   4.736   4.239
  183   2HG2  VAL 127          HG22      VAL 127   3.202   5.840   2.969
  184   3HG2  VAL 127          HG23      VAL 127   3.296   4.108   2.651
  185    HA   PRO 128           HA       PRO 128   6.271   9.737   0.896
  186   1HB   PRO 128          HB2       PRO 128   5.477   8.710  -1.619
  187   2HB   PRO 128          HB3       PRO 128   7.093   9.210  -1.133
  188   1HG   PRO 128          HG2       PRO 128   5.979   6.532  -1.418
  189   2HG   PRO 128          HG3       PRO 128   7.670   7.039  -1.344
  190   1HD   PRO 128          HD2       PRO 128   6.334   5.708   0.683
  191   2HD   PRO 128          HD3       PRO 128   7.802   6.680   0.899
  192    H    ALA 129           HN       ALA 129   4.636  10.979   1.196
  193    HA   ALA 129           HA       ALA 129   1.979  10.456   1.369
  194   1HB   ALA 129          HB1       ALA 129   1.578  12.799   0.900
  195   2HB   ALA 129          HB2       ALA 129   3.014  12.605   1.906
  196   3HB   ALA 129          HB3       ALA 129   3.182  12.947   0.185
  197    H    ASP 130           HN       ASP 130   3.847  10.794  -1.578
  198    HA   ASP 130           HA       ASP 130   1.569  10.193  -3.263
  199   1HB   ASP 130          HB2       ASP 130   4.552  10.252  -3.803
  200   2HB   ASP 130          HB3       ASP 130   3.358   9.810  -5.015
  201    HA   PRO 131           HA       PRO 131   2.000   5.927  -2.067
  202   1HB   PRO 131          HB2       PRO 131  -0.567   5.575  -3.341
  203   2HB   PRO 131          HB3       PRO 131  -0.168   5.489  -1.626
  204   1HG   PRO 131          HG2       PRO 131  -1.688   7.468  -2.783
  205   2HG   PRO 131          HG3       PRO 131  -0.820   7.635  -1.253
  206   1HD   PRO 131          HD2       PRO 131  -0.120   8.659  -3.942
  207   2HD   PRO 131          HD3       PRO 131   0.212   9.352  -2.348
  208    H    THR 132           HN       THR 132   2.987   7.186  -4.605
  209    HA   THR 132           HA       THR 132   2.347   5.191  -6.605
  210    HB   THR 132           HB       THR 132   3.977   6.730  -7.929
  211    HG1  THR 132           HG1      THR 132   4.050   8.862  -7.029
  212   1HG2  THR 132          HG21      THR 132   1.552   6.635  -8.318
  213   2HG2  THR 132          HG22      THR 132   2.167   8.282  -8.464
  214   3HG2  THR 132          HG23      THR 132   1.302   7.788  -7.008
  215    H    LEU 133           HN       LEU 133   4.975   6.298  -4.595
  216    HA   LEU 133           HA       LEU 133   6.851   4.482  -5.911
  217   1HB   LEU 133          HB2       LEU 133   7.493   6.422  -3.706
  218   2HB   LEU 133          HB3       LEU 133   8.564   5.770  -4.930
  219    HG   LEU 133           HG       LEU 133   6.378   7.780  -5.462
  220   1HD1  LEU 133          HD11      LEU 133   8.169   8.675  -4.051
  221   2HD1  LEU 133          HD12      LEU 133   9.355   8.175  -5.256
  222   3HD1  LEU 133          HD13      LEU 133   8.158   9.407  -5.657
  223   1HD2  LEU 133          HD21      LEU 133   7.463   8.041  -7.626
  224   2HD2  LEU 133          HD22      LEU 133   8.622   6.779  -7.208
  225   3HD2  LEU 133          HD23      LEU 133   6.913   6.382  -7.390
  226    H    TRP 134           HN       TRP 134   4.742   4.275  -3.318
  227    HA   TRP 134           HA       TRP 134   6.186   2.869  -1.480
  228   1HB   TRP 134          HB2       TRP 134   3.427   2.288  -2.558
  229   2HB   TRP 134          HB3       TRP 134   4.095   1.564  -1.102
  230    HD1  TRP 134           HD1      TRP 134   5.301   4.906  -0.861
  231    HE1  TRP 134           HE1      TRP 134   3.747   6.411   0.517
  232    HE3  TRP 134           HE3      TRP 134   1.135   1.967  -0.895
  233    HZ2  TRP 134           HZ2      TRP 134   1.077   6.363   1.451
  234    HZ3  TRP 134           HZ3      TRP 134  -0.878   2.761   0.269
  235    HH2  TRP 134           HH2      TRP 134  -0.906   4.912   1.418
  236    H    SER 135           HN       SER 135   7.558   1.190  -1.834
  237    HA   SER 135           HA       SER 135   7.607  -0.142  -4.315
  238   1HB   SER 135          HB2       SER 135   9.646   0.127  -3.050
  239   2HB   SER 135          HB3       SER 135   8.981  -0.791  -1.699
  240    HG   SER 135           HG       SER 135   9.793  -2.466  -2.633
  241    H    THR 136           HN       THR 136   7.268  -2.273  -4.726
  242    HA   THR 136           HA       THR 136   4.959  -3.569  -4.206
  243    HB   THR 136           HB       THR 136   6.221  -5.822  -4.347
  244    HG1  THR 136           HG1      THR 136   8.392  -4.307  -5.284
  245   1HG2  THR 136          HG21      THR 136   6.651  -5.496  -6.742
  246   2HG2  THR 136          HG22      THR 136   6.528  -3.751  -6.521
  247   3HG2  THR 136          HG23      THR 136   5.118  -4.775  -6.249
  248    H    ASP 137           HN       ASP 137   7.781  -3.666  -2.069
  249    HA   ASP 137           HA       ASP 137   6.483  -5.408  -0.164
  250   1HB   ASP 137          HB2       ASP 137   8.529  -5.145   1.176
  251   2HB   ASP 137          HB3       ASP 137   8.900  -5.612  -0.480
  252    H    HIS 138           HN       HIS 138   7.266  -1.860  -0.391
  253    HA   HIS 138           HA       HIS 138   6.308  -1.294   2.187
  254   1HB   HIS 138          HB2       HIS 138   6.615   0.495  -0.227
  255   2HB   HIS 138          HB3       HIS 138   6.310   1.047   1.411
  256    HD2  HIS 138           HD2      HIS 138   8.496   0.150   3.231
  257    HE1  HIS 138           HE1      HIS 138  11.264   0.572   0.060
  258    HE2  HIS 138           HE2      HIS 138  11.001   0.134   2.543
  259    H    VAL 139           HN       VAL 139   4.505  -2.252  -0.535
  260    HA   VAL 139           HA       VAL 139   2.340  -0.362   0.012
  261    HB   VAL 139           HB       VAL 139   2.887  -2.278  -2.240
  262   1HG1  VAL 139          HG11      VAL 139   0.540  -2.315  -2.937
  263   2HG1  VAL 139          HG12      VAL 139   0.734  -3.100  -1.371
  264   3HG1  VAL 139          HG13      VAL 139   0.078  -1.466  -1.463
  265   1HG2  VAL 139          HG21      VAL 139   1.527   0.404  -2.118
  266   2HG2  VAL 139          HG22      VAL 139   3.237   0.140  -2.476
  267   3HG2  VAL 139          HG23      VAL 139   1.999  -0.462  -3.581
  268    H    ARG 140           HN       ARG 140   3.399  -3.631   0.147
  269    HA   ARG 140           HA       ARG 140   1.078  -4.774   1.319
  270   1HB   ARG 140          HB2       ARG 140   3.026  -5.962   0.171
  271   2HB   ARG 140          HB3       ARG 140   3.920  -5.717   1.667
  272   1HG   ARG 140          HG2       ARG 140   1.676  -6.785   2.628
  273   2HG   ARG 140          HG3       ARG 140   1.724  -7.557   1.051
  274   1HD   ARG 140          HD2       ARG 140   3.890  -7.590   3.146
  275   2HD   ARG 140          HD3       ARG 140   2.872  -8.945   2.664
  276    HE   ARG 140           HE       ARG 140   4.315  -7.871   0.447
  277   1HH1  ARG 140          HH12      ARG 140   4.712  -9.883   3.295
  278   2HH1  ARG 140          HH11      ARG 140   5.955 -10.863   2.570
  279   1HH2  ARG 140          HH22      ARG 140   5.966  -9.123  -0.474
  280   2HH2  ARG 140          HH21      ARG 140   6.665 -10.435   0.428
  281    H    GLN 141           HN       GLN 141   3.699  -2.854   2.418
  282    HA   GLN 141           HA       GLN 141   3.739  -3.642   5.126
  283   1HB   GLN 141          HB2       GLN 141   5.686  -2.630   4.213
  284   2HB   GLN 141          HB3       GLN 141   4.775  -1.238   3.646
  285   1HG   GLN 141          HG2       GLN 141   4.431  -0.475   5.870
  286   2HG   GLN 141          HG3       GLN 141   5.183  -1.934   6.538
  287   1HE2  GLN 141          HE21      GLN 141   7.240  -1.872   4.367
  288   2HE2  GLN 141          HE22      GLN 141   8.346  -0.634   4.844
  289    H    TRP 142           HN       TRP 142   2.730  -0.460   3.837
  290    HA   TRP 142           HA       TRP 142   1.147   0.361   5.861
  291   1HB   TRP 142          HB2       TRP 142   1.636   1.679   3.847
  292   2HB   TRP 142          HB3       TRP 142   0.601   0.633   2.900
  293    HD1  TRP 142           HD1      TRP 142   0.333   3.239   5.746
  294    HE1  TRP 142           HE1      TRP 142  -2.042   4.238   5.684
  295    HE3  TRP 142           HE3      TRP 142  -1.692   0.325   2.065
  296    HZ2  TRP 142           HZ2      TRP 142  -4.437   3.849   4.269
  297    HZ3  TRP 142           HZ3      TRP 142  -4.034   0.712   1.415
  298    HH2  TRP 142           HH2      TRP 142  -5.373   2.446   2.502
  299    H    LEU 143           HN       LEU 143  -0.057  -1.209   3.043
  300    HA   LEU 143           HA       LEU 143  -2.590  -1.755   3.597
  301   1HB   LEU 143          HB2       LEU 143  -1.330  -2.519   1.599
  302   2HB   LEU 143          HB3       LEU 143  -0.757  -3.886   2.525
  303    HG   LEU 143           HG       LEU 143  -3.340  -4.335   2.818
  304   1HD1  LEU 143          HD11      LEU 143  -4.484  -3.747   0.676
  305   2HD1  LEU 143          HD12      LEU 143  -4.154  -2.374   1.737
  306   3HD1  LEU 143          HD13      LEU 143  -3.131  -2.662   0.326
  307   1HD2  LEU 143          HD21      LEU 143  -1.824  -4.899   0.286
  308   2HD2  LEU 143          HD22      LEU 143  -1.710  -5.818   1.789
  309   3HD2  LEU 143          HD23      LEU 143  -3.225  -5.791   0.884
  310    H    GLU 144           HN       GLU 144   0.023  -3.367   5.145
  311    HA   GLU 144           HA       GLU 144  -1.710  -5.244   6.600
  312   1HB   GLU 144          HB2       GLU 144   1.254  -4.786   6.564
  313   2HB   GLU 144          HB3       GLU 144   0.556  -5.569   7.976
  314   1HG   GLU 144          HG2       GLU 144  -0.289  -7.348   6.638
  315   2HG   GLU 144          HG3       GLU 144   0.171  -6.515   5.160
  316    H    TRP 145           HN       TRP 145   0.419  -2.584   7.370
  317    HA   TRP 145           HA       TRP 145  -0.399  -2.138  10.009
  318   1HB   TRP 145          HB2       TRP 145   1.475  -0.934   9.739
  319   2HB   TRP 145          HB3       TRP 145   1.285  -0.903   8.001
  320    HD1  TRP 145           HD1      TRP 145   0.982   1.402   6.988
  321    HE1  TRP 145           HE1      TRP 145   0.407   3.730   7.851
  322    HE3  TRP 145           HE3      TRP 145  -0.101   0.202  11.809
  323    HZ2  TRP 145           HZ2      TRP 145  -0.427   4.922  10.262
  324    HZ3  TRP 145           HZ3      TRP 145  -0.789   1.998  13.341
  325    HH2  TRP 145           HH2      TRP 145  -0.955   4.309  12.573
  326    H    ALA 146           HN       ALA 146  -2.225  -1.815   7.250
  327    HA   ALA 146           HA       ALA 146  -3.765   0.466   8.221
  328   1HB   ALA 146          HB1       ALA 146  -3.240   0.429   5.832
  329   2HB   ALA 146          HB2       ALA 146  -4.085  -1.111   5.664
  330   3HB   ALA 146          HB3       ALA 146  -4.982   0.345   6.100
  331    H    VAL 147           HN       VAL 147  -4.208  -3.077   7.571
  332    HA   VAL 147           HA       VAL 147  -6.749  -3.161   8.616
  333    HB   VAL 147           HB       VAL 147  -4.609  -5.283   8.865
  334   1HG1  VAL 147          HG11      VAL 147  -7.616  -5.502   8.949
  335   2HG1  VAL 147          HG12      VAL 147  -6.486  -6.858   8.937
  336   3HG1  VAL 147          HG13      VAL 147  -6.516  -5.748  10.307
  337   1HG2  VAL 147          HG21      VAL 147  -5.590  -6.162   6.781
  338   2HG2  VAL 147          HG22      VAL 147  -6.632  -4.738   6.692
  339   3HG2  VAL 147          HG23      VAL 147  -4.879  -4.562   6.569
  340    H    LYS 148           HN       LYS 148  -3.832  -2.515  10.382
  341    HA   LYS 148           HA       LYS 148  -5.228  -3.084  12.936
  342   1HB   LYS 148          HB2       LYS 148  -3.140  -2.633  14.069
  343   2HB   LYS 148          HB3       LYS 148  -2.826  -3.758  12.758
  344   1HG   LYS 148          HG2       LYS 148  -1.926  -1.968  11.399
  345   2HG   LYS 148          HG3       LYS 148  -2.305  -0.797  12.662
  346   1HD   LYS 148          HD2       LYS 148   0.047  -1.380  12.748
  347   2HD   LYS 148          HD3       LYS 148  -0.775  -1.981  14.189
  348   1HE   LYS 148          HE2       LYS 148  -0.897  -4.209  13.191
  349   2HE   LYS 148          HE3       LYS 148  -0.086  -3.608  11.744
  350   1HZ   LYS 148          HZ1       LYS 148   1.445  -4.742  13.228
  351   2HZ   LYS 148          HZ2       LYS 148   1.080  -3.654  14.480
  352   3HZ   LYS 148          HZ3       LYS 148   1.860  -3.108  13.073
  353    H    GLU 149           HN       GLU 149  -4.575  -0.900  10.748
  354    HA   GLU 149           HA       GLU 149  -4.579   1.543  12.326
  355   1HB   GLU 149          HB2       GLU 149  -3.293   1.488  10.212
  356   2HB   GLU 149          HB3       GLU 149  -4.800   1.391   9.317
  357   1HG   GLU 149          HG2       GLU 149  -3.728   3.649   9.423
  358   2HG   GLU 149          HG3       GLU 149  -5.418   3.592   9.909
  359    H    TYR 150           HN       TYR 150  -6.875   0.134   9.949
  360    HA   TYR 150           HA       TYR 150  -8.894   1.911  11.111
  361   1HB   TYR 150          HB2       TYR 150  -8.744   0.787   8.310
  362   2HB   TYR 150          HB3       TYR 150  -9.978   1.860   8.934
  363    HD1  TYR 150           HD1      TYR 150  -9.281   4.175   9.727
  364    HD2  TYR 150           HD2      TYR 150  -6.774   1.629   7.421
  365    HE1  TYR 150           HE1      TYR 150  -7.961   6.125   9.029
  366    HE2  TYR 150           HE2      TYR 150  -5.435   3.560   6.722
  367    HH   TYR 150           HH       TYR 150  -5.704   6.606   8.177
  368    H    GLY 151           HN       GLY 151  -7.965  -1.214  11.155
  369   1HA   GLY 151          HA1       GLY 151  -9.030  -3.094  11.940
  370   2HA   GLY 151          HA2       GLY 151 -10.433  -2.086  12.257
  371    H    LEU 152           HN       LEU 152  -8.708  -3.066   9.318
  372    HA   LEU 152           HA       LEU 152 -11.106  -3.293   7.771
  373   1HB   LEU 152          HB2       LEU 152  -8.250  -4.112   7.254
  374   2HB   LEU 152          HB3       LEU 152  -9.529  -4.205   6.057
  375    HG   LEU 152           HG       LEU 152  -8.925  -1.598   7.398
  376   1HD1  LEU 152          HD11      LEU 152  -7.525  -2.688   4.958
  377   2HD1  LEU 152          HD12      LEU 152  -7.353  -1.063   5.627
  378   3HD1  LEU 152          HD13      LEU 152  -6.786  -2.459   6.543
  379   1HD2  LEU 152          HD21      LEU 152 -10.950  -1.790   6.065
  380   2HD2  LEU 152          HD22      LEU 152  -9.785  -0.723   5.281
  381   3HD2  LEU 152          HD23      LEU 152 -10.005  -2.370   4.693
  382    HA   PRO 153           HA       PRO 153 -11.629  -7.372   9.477
  383   1HB   PRO 153          HB2       PRO 153 -14.340  -7.318   9.367
  384   2HB   PRO 153          HB3       PRO 153 -13.393  -6.507  10.614
  385   1HG   PRO 153          HG2       PRO 153 -14.963  -5.346   8.461
  386   2HG   PRO 153          HG3       PRO 153 -14.226  -4.549   9.858
  387   1HD   PRO 153          HD2       PRO 153 -13.265  -4.703   7.107
  388   2HD   PRO 153          HD3       PRO 153 -12.700  -3.676   8.437
  389    H    ASP 154           HN       ASP 154 -10.908  -7.394   6.761
  390    HA   ASP 154           HA       ASP 154 -11.656  -9.881   5.933
  391   1HB   ASP 154          HB2       ASP 154 -13.979  -8.868   5.707
  392   2HB   ASP 154          HB3       ASP 154 -13.345  -7.911   4.372
  393    H    VAL 155           HN       VAL 155  -9.571  -7.701   5.806
  394    HA   VAL 155           HA       VAL 155  -9.130  -7.524   2.931
  395    HB   VAL 155           HB       VAL 155  -7.599  -6.351   5.252
  396   1HG1  VAL 155          HG11      VAL 155  -5.992  -6.998   3.523
  397   2HG1  VAL 155          HG12      VAL 155  -6.950  -6.154   2.307
  398   3HG1  VAL 155          HG13      VAL 155  -6.164  -5.246   3.598
  399   1HG2  VAL 155          HG21      VAL 155  -9.180  -5.123   2.998
  400   2HG2  VAL 155          HG22      VAL 155  -9.672  -5.225   4.687
  401   3HG2  VAL 155          HG23      VAL 155  -8.293  -4.226   4.230
  402    H    ASN 156           HN       ASN 156  -7.972  -8.919   1.823
  403    HA   ASN 156           HA       ASN 156  -6.189 -10.725   3.313
  404   1HB   ASN 156          HB2       ASN 156  -8.156 -11.541   1.704
  405   2HB   ASN 156          HB3       ASN 156  -6.914 -11.294   0.476
  406   1HD2  ASN 156          HD21      ASN 156  -4.982 -12.481   0.616
  407   2HD2  ASN 156          HD22      ASN 156  -4.902 -13.956   1.511
  408    H    ILE 157           HN       ILE 157  -4.038 -10.421   3.051
  409    HA   ILE 157           HA       ILE 157  -3.571  -8.015   1.535
  410    HB   ILE 157           HB       ILE 157  -1.872  -9.407   3.616
  411   1HG1  ILE 157          HG12      ILE 157  -3.563  -6.923   3.844
  412   2HG1  ILE 157          HG13      ILE 157  -4.064  -8.535   4.338
  413   1HG2  ILE 157          HG21      ILE 157  -1.467  -6.585   2.719
  414   2HG2  ILE 157          HG22      ILE 157  -0.407  -7.600   3.688
  415   3HG2  ILE 157          HG23      ILE 157  -0.616  -7.937   1.973
  416   1HD1  ILE 157          HD11      ILE 157  -3.370  -7.298   6.255
  417   2HD1  ILE 157          HD12      ILE 157  -2.202  -8.585   5.940
  418   3HD1  ILE 157          HD13      ILE 157  -1.822  -6.919   5.498
  419    H    LEU 158           HN       LEU 158  -2.482 -11.318   1.536
  420    HA   LEU 158           HA       LEU 158  -0.139 -10.970   0.039
  421   1HB   LEU 158          HB2       LEU 158  -0.410 -13.397  -0.463
  422   2HB   LEU 158          HB3       LEU 158  -0.392 -12.960   1.234
  423    HG   LEU 158           HG       LEU 158  -3.080 -12.930   0.575
  424   1HD1  LEU 158          HD11      LEU 158  -1.749 -15.303  -0.720
  425   2HD1  LEU 158          HD12      LEU 158  -3.482 -15.113  -0.454
  426   3HD1  LEU 158          HD13      LEU 158  -2.632 -14.019  -1.545
  427   1HD2  LEU 158          HD21      LEU 158  -3.189 -14.894   2.008
  428   2HD2  LEU 158          HD22      LEU 158  -1.448 -15.128   1.839
  429   3HD2  LEU 158          HD23      LEU 158  -2.069 -13.694   2.659
  430    H    LEU 159           HN       LEU 159  -3.030  -9.986  -1.071
  431    HA   LEU 159           HA       LEU 159  -2.736 -11.092  -3.770
  432   1HB   LEU 159          HB2       LEU 159  -4.927  -9.554  -2.388
  433   2HB   LEU 159          HB3       LEU 159  -4.829  -9.575  -4.134
  434    HG   LEU 159           HG       LEU 159  -4.995 -12.085  -4.026
  435   1HD1  LEU 159          HD11      LEU 159  -5.909 -13.064  -1.977
  436   2HD1  LEU 159          HD12      LEU 159  -4.284 -12.419  -1.736
  437   3HD1  LEU 159          HD13      LEU 159  -5.684 -11.521  -1.151
  438   1HD2  LEU 159          HD21      LEU 159  -7.407 -12.082  -3.663
  439   2HD2  LEU 159          HD22      LEU 159  -7.296 -10.512  -2.871
  440   3HD2  LEU 159          HD23      LEU 159  -6.908 -10.664  -4.584
  441    H    PHE 160           HN       PHE 160  -2.202  -8.322  -1.792
  442    HA   PHE 160           HA       PHE 160  -1.906  -6.585  -4.082
  443   1HB   PHE 160          HB2       PHE 160  -1.742  -6.032  -1.121
  444   2HB   PHE 160          HB3       PHE 160  -1.482  -4.801  -2.350
  445    HD1  PHE 160           HD1      PHE 160  -3.966  -7.098  -0.885
  446    HD2  PHE 160           HD2      PHE 160  -3.302  -3.798  -3.487
  447    HE1  PHE 160           HE1      PHE 160  -6.393  -6.691  -0.983
  448    HE2  PHE 160           HE2      PHE 160  -5.723  -3.385  -3.592
  449    HZ   PHE 160           HZ       PHE 160  -7.271  -4.820  -2.294
  450    H    GLN 161           HN       GLN 161  -0.045  -8.595  -2.165
  451    HA   GLN 161           HA       GLN 161   2.414  -7.544  -1.740
  452   1HB   GLN 161          HB2       GLN 161   1.681 -10.276  -2.738
  453   2HB   GLN 161          HB3       GLN 161   3.316  -9.842  -2.262
  454   1HG   GLN 161          HG2       GLN 161   2.460  -9.230  -0.027
  455   2HG   GLN 161          HG3       GLN 161   0.869  -9.803  -0.524
  456   1HE2  GLN 161          HE21      GLN 161   2.617 -10.748   1.611
  457   2HE2  GLN 161          HE22      GLN 161   2.913 -12.426   1.294
  458    H    ASN 162           HN       ASN 162   1.105  -8.321  -4.910
  459    HA   ASN 162           HA       ASN 162   3.767  -8.075  -6.122
  460   1HB   ASN 162          HB2       ASN 162   1.119  -9.051  -7.200
  461   2HB   ASN 162          HB3       ASN 162   2.509  -8.762  -8.235
  462   1HD2  ASN 162          HD21      ASN 162   2.863 -10.025  -4.999
  463   2HD2  ASN 162          HD22      ASN 162   3.311 -11.630  -5.466
  464    H    ILE 163           HN       ILE 163   1.266  -6.171  -5.260
  465    HA   ILE 163           HA       ILE 163   1.443  -4.348  -7.551
  466    HB   ILE 163           HB       ILE 163  -0.375  -4.326  -5.121
  467   1HG1  ILE 163          HG12      ILE 163  -1.071  -4.950  -7.993
  468   2HG1  ILE 163          HG13      ILE 163  -0.819  -6.164  -6.739
  469   1HG2  ILE 163          HG21      ILE 163   0.050  -2.072  -5.974
  470   2HG2  ILE 163          HG22      ILE 163  -0.502  -2.580  -7.569
  471   3HG2  ILE 163          HG23      ILE 163  -1.627  -2.565  -6.212
  472   1HD1  ILE 163          HD11      ILE 163  -2.918  -4.011  -6.676
  473   2HD1  ILE 163          HD12      ILE 163  -3.191  -5.695  -7.128
  474   3HD1  ILE 163          HD13      ILE 163  -2.692  -5.292  -5.483
  475    H    ASP 164           HN       ASP 164   2.694  -2.645  -7.504
  476    HA   ASP 164           HA       ASP 164   3.738  -1.735  -4.927
  477   1HB   ASP 164          HB2       ASP 164   5.450  -0.605  -6.137
  478   2HB   ASP 164          HB3       ASP 164   5.288  -2.195  -6.875
  479    H    GLY 165           HN       GLY 165   4.219   0.874  -5.309
  480   1HA   GLY 165          HA1       GLY 165   1.709   1.997  -4.747
  481   2HA   GLY 165          HA2       GLY 165   3.186   2.896  -5.032
  482    H    LYS 166           HN       LYS 166   3.543   1.881  -7.772
  483    HA   LYS 166           HA       LYS 166   2.064   3.980  -9.013
  484   1HB   LYS 166          HB2       LYS 166   3.420   3.603 -10.833
  485   2HB   LYS 166          HB3       LYS 166   4.401   2.848  -9.589
  486   1HG   LYS 166          HG2       LYS 166   3.541   0.684 -10.173
  487   2HG   LYS 166          HG3       LYS 166   2.501   1.394 -11.406
  488   1HD   LYS 166          HD2       LYS 166   4.337   0.636 -12.634
  489   2HD   LYS 166          HD3       LYS 166   4.678   2.349 -12.400
  490   1HE   LYS 166          HE2       LYS 166   6.696   1.173 -11.975
  491   2HE   LYS 166          HE3       LYS 166   6.067   1.704 -10.416
  492   1HZ   LYS 166          HZ1       LYS 166   6.842  -0.577 -10.315
  493   2HZ   LYS 166          HZ2       LYS 166   5.779  -1.022 -11.562
  494   3HZ   LYS 166          HZ3       LYS 166   5.164  -0.510 -10.065
  495    H    GLU 167           HN       GLU 167   1.717   0.621  -8.505
  496    HA   GLU 167           HA       GLU 167  -0.306   0.263 -10.538
  497   1HB   GLU 167          HB2       GLU 167   1.430  -1.474  -9.895
  498   2HB   GLU 167          HB3       GLU 167   0.543  -1.688  -8.393
  499   1HG   GLU 167          HG2       GLU 167  -0.128  -3.410  -9.865
  500   2HG   GLU 167          HG3       GLU 167  -1.463  -2.262  -9.762
  501    H    LEU 168           HN       LEU 168  -0.045   0.860  -7.106
  502    HA   LEU 168           HA       LEU 168  -2.852   0.316  -6.610
  503   1HB   LEU 168          HB2       LEU 168  -0.827  -0.074  -5.003
  504   2HB   LEU 168          HB3       LEU 168  -0.952   1.649  -4.703
  505    HG   LEU 168           HG       LEU 168  -3.343   1.256  -4.001
  506   1HD1  LEU 168          HD11      LEU 168  -2.453  -1.624  -4.081
  507   2HD1  LEU 168          HD12      LEU 168  -3.970  -1.029  -3.407
  508   3HD1  LEU 168          HD13      LEU 168  -3.657  -0.884  -5.135
  509   1HD2  LEU 168          HD21      LEU 168  -1.563   1.569  -2.369
  510   2HD2  LEU 168          HD22      LEU 168  -2.729   0.375  -1.796
  511   3HD2  LEU 168          HD23      LEU 168  -1.174  -0.150  -2.444
  512    H    CYS 169           HN       CYS 169  -0.820   3.023  -7.265
  513    HA   CYS 169           HA       CYS 169  -2.682   5.085  -6.529
  514   1HB   CYS 169          HB2       CYS 169  -0.343   5.603  -6.767
  515   2HB   CYS 169          HB3       CYS 169  -0.358   5.050  -8.441
  516    HG   CYS 169           HG       CYS 169  -0.395   8.016  -7.822
  517    H    LYS 170           HN       LYS 170  -2.352   2.857  -9.233
  518    HA   LYS 170           HA       LYS 170  -4.264   4.408 -10.880
  519   1HB   LYS 170          HB2       LYS 170  -2.098   2.438 -11.449
  520   2HB   LYS 170          HB3       LYS 170  -3.554   2.355 -12.427
  521   1HG   LYS 170          HG2       LYS 170  -2.205   3.710 -13.695
  522   2HG   LYS 170          HG3       LYS 170  -3.148   4.888 -12.785
  523   1HD   LYS 170          HD2       LYS 170  -0.552   3.966 -11.662
  524   2HD   LYS 170          HD3       LYS 170  -0.534   5.102 -13.011
  525   1HE   LYS 170          HE2       LYS 170  -1.976   5.505 -10.394
  526   2HE   LYS 170          HE3       LYS 170  -0.434   6.235 -10.837
  527   1HZ   LYS 170          HZ1       LYS 170  -2.183   7.804 -11.212
  528   2HZ   LYS 170          HZ2       LYS 170  -3.058   6.695 -12.146
  529   3HZ   LYS 170          HZ3       LYS 170  -1.583   7.305 -12.719
  530    H    MET 171           HN       MET 171  -4.698   2.731  -8.383
  531    HA   MET 171           HA       MET 171  -6.587   0.808  -9.509
  532   1HB   MET 171          HB2       MET 171  -5.956   1.445  -6.630
  533   2HB   MET 171          HB3       MET 171  -7.016   0.158  -7.189
  534   1HG   MET 171          HG2       MET 171  -4.184   0.249  -8.101
  535   2HG   MET 171          HG3       MET 171  -4.580  -0.319  -6.489
  536   1HE   MET 171          HE1       MET 171  -5.442  -2.619  -5.918
  537   2HE   MET 171          HE2       MET 171  -7.002  -2.003  -6.464
  538   3HE   MET 171          HE3       MET 171  -6.443  -3.589  -6.999
  539    H    THR 172           HN       THR 172  -8.751   1.107  -9.538
  540    HA   THR 172           HA       THR 172  -9.790   3.567  -8.340
  541    HB   THR 172           HB       THR 172 -11.896   2.988  -9.528
  542    HG1  THR 172           HG1      THR 172 -10.292   0.836 -10.519
  543   1HG2  THR 172          HG21      THR 172  -9.429   3.123 -11.265
  544   2HG2  THR 172          HG22      THR 172 -10.284   4.498 -10.565
  545   3HG2  THR 172          HG23      THR 172 -11.071   3.499 -11.788
  546    H    LYS 173           HN       LYS 173 -12.099   3.255  -7.390
  547    HA   LYS 173           HA       LYS 173 -11.916   1.737  -5.067
  548   1HB   LYS 173          HB2       LYS 173 -13.562   3.666  -5.842
  549   2HB   LYS 173          HB3       LYS 173 -14.615   2.301  -6.196
  550   1HG   LYS 173          HG2       LYS 173 -14.370   1.537  -3.872
  551   2HG   LYS 173          HG3       LYS 173 -13.377   2.955  -3.530
  552   1HD   LYS 173          HD2       LYS 173 -15.512   3.569  -2.805
  553   2HD   LYS 173          HD3       LYS 173 -15.372   4.317  -4.396
  554   1HE   LYS 173          HE2       LYS 173 -17.544   3.287  -4.184
  555   2HE   LYS 173          HE3       LYS 173 -16.585   2.393  -5.366
  556   1HZ   LYS 173          HZ1       LYS 173 -16.725   1.566  -2.525
  557   2HZ   LYS 173          HZ2       LYS 173 -16.250   0.650  -3.871
  558   3HZ   LYS 173          HZ3       LYS 173 -17.880   1.053  -3.659
  559    H    ASP 174           HN       ASP 174 -12.986   0.827  -8.253
  560    HA   ASP 174           HA       ASP 174 -14.379  -1.537  -7.397
  561   1HB   ASP 174          HB2       ASP 174 -15.022  -0.346  -9.440
  562   2HB   ASP 174          HB3       ASP 174 -13.432  -0.647 -10.133
  563    H    ASP 175           HN       ASP 175 -11.132  -0.681  -8.173
  564    HA   ASP 175           HA       ASP 175 -10.221  -3.288  -8.895
  565   1HB   ASP 175          HB2       ASP 175  -8.829  -0.732  -8.148
  566   2HB   ASP 175          HB3       ASP 175  -7.941  -2.227  -8.405
  567    H    PHE 176           HN       PHE 176 -10.470  -1.487  -5.912
  568    HA   PHE 176           HA       PHE 176  -9.027  -3.521  -4.465
  569   1HB   PHE 176          HB2       PHE 176 -10.650  -1.147  -3.516
  570   2HB   PHE 176          HB3       PHE 176  -9.933  -2.303  -2.404
  571    HD1  PHE 176           HD1      PHE 176  -9.176   0.211  -4.988
  572    HD2  PHE 176           HD2      PHE 176  -7.674  -2.138  -1.777
  573    HE1  PHE 176           HE1      PHE 176  -7.080   1.498  -5.036
  574    HE2  PHE 176           HE2      PHE 176  -5.579  -0.853  -1.812
  575    HZ   PHE 176           HZ       PHE 176  -5.307   1.013  -3.346
  576    H    GLN 177           HN       GLN 177 -12.291  -2.964  -5.416
  577    HA   GLN 177           HA       GLN 177 -13.414  -4.787  -3.453
  578   1HB   GLN 177          HB2       GLN 177 -14.652  -3.559  -5.913
  579   2HB   GLN 177          HB3       GLN 177 -15.502  -4.457  -4.663
  580   1HG   GLN 177          HG2       GLN 177 -14.562  -2.710  -3.049
  581   2HG   GLN 177          HG3       GLN 177 -14.220  -1.768  -4.495
  582   1HE2  GLN 177          HE21      GLN 177 -16.631  -2.957  -2.363
  583   2HE2  GLN 177          HE22      GLN 177 -17.966  -2.075  -3.010
  584    H    ARG 178           HN       ARG 178 -11.599  -5.236  -6.213
  585    HA   ARG 178           HA       ARG 178 -12.951  -7.771  -6.807
  586   1HB   ARG 178          HB2       ARG 178 -11.754  -7.849  -8.884
  587   2HB   ARG 178          HB3       ARG 178 -12.446  -6.243  -8.731
  588   1HG   ARG 178          HG2       ARG 178 -10.145  -5.578  -7.787
  589   2HG   ARG 178          HG3       ARG 178  -9.589  -7.091  -8.502
  590   1HD   ARG 178          HD2       ARG 178 -10.993  -4.869  -9.982
  591   2HD   ARG 178          HD3       ARG 178  -9.256  -5.158  -9.993
  592    HE   ARG 178           HE       ARG 178 -10.915  -7.370 -10.876
  593   1HH1  ARG 178          HH12      ARG 178  -9.035  -4.548 -11.770
  594   2HH1  ARG 178          HH11      ARG 178  -8.798  -5.066 -13.408
  595   1HH2  ARG 178          HH22      ARG 178 -10.617  -8.052 -13.057
  596   2HH2  ARG 178          HH21      ARG 178  -9.711  -7.040 -14.150
  597    H    LEU 179           HN       LEU 179 -10.699  -6.566  -4.855
  598    HA   LEU 179           HA       LEU 179  -9.307  -9.163  -4.677
  599   1HB   LEU 179          HB2       LEU 179  -8.207  -6.441  -3.948
  600   2HB   LEU 179          HB3       LEU 179  -7.373  -7.967  -3.726
  601    HG   LEU 179           HG       LEU 179  -8.154  -6.777  -6.390
  602   1HD1  LEU 179          HD11      LEU 179  -6.371  -5.518  -5.331
  603   2HD1  LEU 179          HD12      LEU 179  -5.469  -7.006  -5.037
  604   3HD1  LEU 179          HD13      LEU 179  -5.745  -6.452  -6.689
  605   1HD2  LEU 179          HD21      LEU 179  -8.152  -9.217  -6.424
  606   2HD2  LEU 179          HD22      LEU 179  -6.794  -8.572  -7.343
  607   3HD2  LEU 179          HD23      LEU 179  -6.532  -9.235  -5.728
  608    H    THR 180           HN       THR 180 -11.076  -6.663  -3.158
  609    HA   THR 180           HA       THR 180 -11.623  -8.139  -0.793
  610    HB   THR 180           HB       THR 180  -9.908  -5.650  -0.509
  611    HG1  THR 180           HG1      THR 180  -9.191  -8.163  -0.746
  612   1HG2  THR 180          HG21      THR 180 -10.118  -5.976   1.897
  613   2HG2  THR 180          HG22      THR 180 -11.173  -7.366   1.634
  614   3HG2  THR 180          HG23      THR 180 -11.707  -5.750   1.166
  615    HA   PRO 181           HA       PRO 181 -14.772  -5.281  -2.390
  616   1HB   PRO 181          HB2       PRO 181 -16.919  -6.772  -1.754
  617   2HB   PRO 181          HB3       PRO 181 -15.884  -7.148  -3.135
  618   1HG   PRO 181          HG2       PRO 181 -15.916  -8.371  -0.403
  619   2HG   PRO 181          HG3       PRO 181 -15.776  -9.165  -1.984
  620   1HD   PRO 181          HD2       PRO 181 -13.641  -8.653  -0.366
  621   2HD   PRO 181          HD3       PRO 181 -13.526  -8.733  -2.136
  622    H    SER 182           HN       SER 182 -17.145  -4.841  -1.346
  623    HA   SER 182           HA       SER 182 -18.327  -3.746   0.225
  624   1HB   SER 182          HB2       SER 182 -16.550  -5.232   2.174
  625   2HB   SER 182          HB3       SER 182 -18.034  -4.375   2.591
  626    HG   SER 182           HG       SER 182 -18.129  -6.321   0.569
  627    H    TYR 183           HN       TYR 183 -17.409  -2.730   2.790
  628    HA   TYR 183           HA       TYR 183 -16.573  -0.192   1.873
  629   1HB   TYR 183          HB2       TYR 183 -16.479   0.342   4.343
  630   2HB   TYR 183          HB3       TYR 183 -18.019  -0.274   3.752
  631    HD1  TYR 183           HD1      TYR 183 -15.077  -1.012   5.826
  632    HD2  TYR 183           HD2      TYR 183 -18.823  -2.461   4.419
  633    HE1  TYR 183           HE1      TYR 183 -15.026  -2.787   7.534
  634    HE2  TYR 183           HE2      TYR 183 -18.785  -4.229   6.123
  635    HH   TYR 183           HH       TYR 183 -16.809  -5.472   7.429
  636    H    ASN 184           HN       ASN 184 -14.701  -2.872   2.354
  637    HA   ASN 184           HA       ASN 184 -12.500  -1.771   3.797
  638   1HB   ASN 184          HB2       ASN 184 -12.676  -4.173   1.978
  639   2HB   ASN 184          HB3       ASN 184 -11.235  -3.741   2.888
  640   1HD2  ASN 184          HD21      ASN 184 -11.327  -5.693   3.995
  641   2HD2  ASN 184          HD22      ASN 184 -12.482  -5.974   5.242
  642    H    ALA 185           HN       ALA 185 -13.209  -2.291   0.396
  643    HA   ALA 185           HA       ALA 185 -10.950  -1.286  -0.862
  644   1HB   ALA 185          HB1       ALA 185 -13.832  -0.907  -1.641
  645   2HB   ALA 185          HB2       ALA 185 -12.436  -0.736  -2.706
  646   3HB   ALA 185          HB3       ALA 185 -12.832  -2.310  -2.016
  647    H    ASP 186           HN       ASP 186 -13.854   0.429   0.171
  648    HA   ASP 186           HA       ASP 186 -13.031   3.102  -0.424
  649   1HB   ASP 186          HB2       ASP 186 -15.087   1.970   1.486
  650   2HB   ASP 186          HB3       ASP 186 -14.838   3.693   1.238
  651    H    ILE 187           HN       ILE 187 -12.854   1.405   2.746
  652    HA   ILE 187           HA       ILE 187 -11.671   3.497   4.091
  653    HB   ILE 187           HB       ILE 187 -10.946   0.568   4.409
  654   1HG1  ILE 187          HG12      ILE 187 -13.062   2.262   5.775
  655   2HG1  ILE 187          HG13      ILE 187 -13.363   0.973   4.616
  656   1HG2  ILE 187          HG21      ILE 187 -10.309   1.221   6.678
  657   2HG2  ILE 187          HG22      ILE 187  -9.344   2.059   5.463
  658   3HG2  ILE 187          HG23      ILE 187 -10.652   2.907   6.288
  659   1HD1  ILE 187          HD11      ILE 187 -12.445  -0.655   6.170
  660   2HD1  ILE 187          HD12      ILE 187 -12.108   0.632   7.328
  661   3HD1  ILE 187          HD13      ILE 187 -13.774   0.246   6.900
  662    H    LEU 188           HN       LEU 188 -10.034   0.965   2.221
  663    HA   LEU 188           HA       LEU 188  -7.407   1.872   2.614
  664   1HB   LEU 188          HB2       LEU 188  -8.619   0.298   0.355
  665   2HB   LEU 188          HB3       LEU 188  -6.898   0.549   0.576
  666    HG   LEU 188           HG       LEU 188  -8.679  -0.838   2.581
  667   1HD1  LEU 188          HD11      LEU 188  -6.763  -2.024   0.577
  668   2HD1  LEU 188          HD12      LEU 188  -7.657  -2.909   1.812
  669   3HD1  LEU 188          HD13      LEU 188  -8.522  -2.117   0.495
  670   1HD2  LEU 188          HD21      LEU 188  -6.718   0.202   3.568
  671   2HD2  LEU 188          HD22      LEU 188  -6.544  -1.553   3.558
  672   3HD2  LEU 188          HD23      LEU 188  -5.682  -0.576   2.369
  673    H    LEU 189           HN       LEU 189  -9.506   2.295  -0.253
  674    HA   LEU 189           HA       LEU 189  -7.608   3.674  -1.810
  675   1HB   LEU 189          HB2       LEU 189  -9.674   2.581  -2.621
  676   2HB   LEU 189          HB3       LEU 189 -10.594   3.924  -1.966
  677    HG   LEU 189           HG       LEU 189  -9.288   5.464  -3.436
  678   1HD1  LEU 189          HD11      LEU 189  -8.015   4.519  -5.296
  679   2HD1  LEU 189          HD12      LEU 189  -7.306   4.071  -3.745
  680   3HD1  LEU 189          HD13      LEU 189  -8.261   2.897  -4.651
  681   1HD2  LEU 189          HD21      LEU 189 -11.502   4.698  -4.082
  682   2HD2  LEU 189          HD22      LEU 189 -10.459   4.867  -5.493
  683   3HD2  LEU 189          HD23      LEU 189 -10.800   3.268  -4.835
  684    H    SER 190           HN       SER 190 -10.249   4.917   0.267
  685    HA   SER 190           HA       SER 190  -9.877   7.591  -0.416
  686   1HB   SER 190          HB2       SER 190 -11.142   8.099   1.659
  687   2HB   SER 190          HB3       SER 190 -11.902   6.833   0.694
  688    HG   SER 190           HG       SER 190 -11.221   5.311   2.130
  689    H    HIS 191           HN       HIS 191  -8.004   5.583   1.747
  690    HA   HIS 191           HA       HIS 191  -6.840   7.864   3.089
  691   1HB   HIS 191          HB2       HIS 191  -6.850   5.398   3.944
  692   2HB   HIS 191          HB3       HIS 191  -5.453   5.219   2.878
  693    HD2  HIS 191           HD2      HIS 191  -5.770   8.551   4.823
  694    HE1  HIS 191           HE1      HIS 191  -2.680   6.226   6.539
  695    HE2  HIS 191           HE2      HIS 191  -3.952   8.418   6.673
  696    H    LEU 192           HN       LEU 192  -6.201   5.865   0.314
  697    HA   LEU 192           HA       LEU 192  -3.572   6.628  -0.096
  698   1HB   LEU 192          HB2       LEU 192  -5.141   4.826  -1.262
  699   2HB   LEU 192          HB3       LEU 192  -5.298   6.094  -2.467
  700    HG   LEU 192           HG       LEU 192  -2.661   6.096  -2.287
  701   1HD1  LEU 192          HD11      LEU 192  -3.407   3.298  -1.485
  702   2HD1  LEU 192          HD12      LEU 192  -1.791   3.863  -1.912
  703   3HD1  LEU 192          HD13      LEU 192  -2.594   4.495  -0.474
  704   1HD2  LEU 192          HD21      LEU 192  -2.571   4.530  -4.158
  705   2HD2  LEU 192          HD22      LEU 192  -4.228   4.027  -3.819
  706   3HD2  LEU 192          HD23      LEU 192  -3.893   5.683  -4.332
  707    H    HIS 193           HN       HIS 193  -6.593   7.889  -1.339
  708    HA   HIS 193           HA       HIS 193  -5.292   9.918  -2.873
  709   1HB   HIS 193          HB2       HIS 193  -7.452  10.824  -3.409
  710   2HB   HIS 193          HB3       HIS 193  -7.506   9.078  -3.535
  711    HD2  HIS 193           HD2      HIS 193  -9.665   8.025  -2.507
  712    HE1  HIS 193           HE1      HIS 193 -10.713  11.230   0.045
  713    HE2  HIS 193           HE2      HIS 193 -11.564   9.155  -1.138
  714    H    TYR 194           HN       TYR 194  -6.775   9.870   0.342
  715    HA   TYR 194           HA       TYR 194  -6.387  12.521   1.056
  716   1HB   TYR 194          HB2       TYR 194  -7.600  10.995   2.484
  717   2HB   TYR 194          HB3       TYR 194  -6.174   9.990   2.700
  718    HD1  TYR 194           HD1      TYR 194  -7.720  13.224   3.580
  719    HD2  TYR 194           HD2      TYR 194  -4.530  10.515   4.341
  720    HE1  TYR 194           HE1      TYR 194  -7.141  14.479   5.614
  721    HE2  TYR 194           HE2      TYR 194  -3.946  11.761   6.377
  722    HH   TYR 194           HH       TYR 194  -6.005  14.184   7.697
  723    H    LEU 195           HN       LEU 195  -4.150   9.791   1.495
  724    HA   LEU 195           HA       LEU 195  -1.943  11.116   2.501
  725   1HB   LEU 195          HB2       LEU 195  -2.347   8.668   0.814
  726   2HB   LEU 195          HB3       LEU 195  -0.746   9.145   1.299
  727    HG   LEU 195           HG       LEU 195  -3.012   8.406   3.130
  728   1HD1  LEU 195          HD11      LEU 195  -0.408   7.052   2.455
  729   2HD1  LEU 195          HD12      LEU 195  -1.537   6.525   3.707
  730   3HD1  LEU 195          HD13      LEU 195  -2.027   6.508   2.013
  731   1HD2  LEU 195          HD21      LEU 195  -0.188   9.229   3.804
  732   2HD2  LEU 195          HD22      LEU 195  -1.643  10.174   4.118
  733   3HD2  LEU 195          HD23      LEU 195  -1.395   8.637   4.944
  734    H    ARG 196           HN       ARG 196  -2.995  10.606  -0.790
  735    HA   ARG 196           HA       ARG 196  -0.650  11.654  -2.123
  736   1HB   ARG 196          HB2       ARG 196  -2.065   9.833  -2.949
  737   2HB   ARG 196          HB3       ARG 196  -3.390  10.971  -3.153
  738   1HG   ARG 196          HG2       ARG 196  -2.045  12.205  -4.792
  739   2HG   ARG 196          HG3       ARG 196  -0.742  11.027  -4.584
  740   1HD   ARG 196          HD2       ARG 196  -2.039  10.445  -6.532
  741   2HD   ARG 196          HD3       ARG 196  -2.289   9.240  -5.274
  742    HE   ARG 196           HE       ARG 196  -4.260  11.339  -5.267
  743   1HH1  ARG 196          HH12      ARG 196  -3.386   8.230  -6.655
  744   2HH1  ARG 196          HH11      ARG 196  -5.030   7.782  -7.005
  745   1HH2  ARG 196          HH22      ARG 196  -6.396  10.770  -5.753
  746   2HH2  ARG 196          HH21      ARG 196  -6.745   9.237  -6.495
  747    H    GLU 197           HN       GLU 197  -3.109  13.221  -0.499
  748    HA   GLU 197           HA       GLU 197  -3.594  15.361  -2.314
  749   1HB   GLU 197          HB2       GLU 197  -3.942  15.100   0.667
  750   2HB   GLU 197          HB3       GLU 197  -4.325  16.580  -0.199
  751   1HG   GLU 197          HG2       GLU 197  -5.553  13.888  -0.745
  752   2HG   GLU 197          HG3       GLU 197  -6.296  15.177   0.202
  753    H    THR 198           HN       THR 198  -0.831  14.475  -0.700
  754    HA   THR 198           HA       THR 198   0.369  17.052  -1.351
  755    HB   THR 198           HB       THR 198  -0.021  17.216   1.046
  756    HG1  THR 198           HG1      THR 198   2.429  16.996   1.655
  757   1HG2  THR 198          HG21      THR 198   1.504  14.627   1.294
  758   2HG2  THR 198          HG22      THR 198  -0.221  14.850   1.586
  759   3HG2  THR 198          HG23      THR 198   0.962  15.635   2.634
  760    HA   PRO 199           HA       PRO 199   3.306  14.154  -3.047
  761   1HB   PRO 199          HB2       PRO 199   5.159  16.243  -3.643
  762   2HB   PRO 199          HB3       PRO 199   3.972  15.512  -4.724
  763   1HG   PRO 199          HG2       PRO 199   3.907  18.131  -3.819
  764   2HG   PRO 199          HG3       PRO 199   2.523  17.242  -4.477
  765   1HD   PRO 199          HD2       PRO 199   3.256  17.779  -1.632
  766   2HD   PRO 199          HD3       PRO 199   1.652  17.726  -2.396
  767    H    LEU 200           HN       LEU 200   5.249  13.177  -2.654
  768    HA   LEU 200           HA       LEU 200   6.440  13.690  -0.076
  769   1HB   LEU 200          HB2       LEU 200   7.573  11.661  -0.298
  770   2HB   LEU 200          HB3       LEU 200   6.030  11.392  -1.063
  771    HG   LEU 200           HG       LEU 200   7.518  10.256  -2.427
  772   1HD1  LEU 200          HD11      LEU 200   7.292  12.951  -3.733
  773   2HD1  LEU 200          HD12      LEU 200   7.700  11.438  -4.541
  774   3HD1  LEU 200          HD13      LEU 200   6.111  11.642  -3.806
  775   1HD2  LEU 200          HD21      LEU 200   9.431  12.569  -2.246
  776   2HD2  LEU 200          HD22      LEU 200   9.582  11.006  -1.443
  777   3HD2  LEU 200          HD23      LEU 200   9.674  11.106  -3.202
  778    HA   PRO 201           HA       PRO 201   9.869  16.149  -1.409
  779   1HB   PRO 201          HB2       PRO 201  11.612  14.880   0.552
  780   2HB   PRO 201          HB3       PRO 201  10.956  16.518   0.539
  781   1HG   PRO 201          HG2       PRO 201  10.164  14.632   2.320
  782   2HG   PRO 201          HG3       PRO 201   9.093  15.921   1.743
  783   1HD   PRO 201          HD2       PRO 201   9.240  13.052   0.894
  784   2HD   PRO 201          HD3       PRO 201   7.815  14.076   1.173
  Start of MODEL    5
    1   1H    GLY 105           H1       GLY 105  18.111 -16.143 -13.019
    2   2H    GLY 105           H2       GLY 105  19.435 -15.091 -13.145
    3   3H    GLY 105           H3       GLY 105  19.641 -16.754 -13.409
    4   1HA   GLY 105          HA2       GLY 105  19.618 -15.516 -15.493
    5   2HA   GLY 105          HA1       GLY 105  18.307 -16.683 -15.383
    6    H    SER 106           HN       SER 106  17.134 -15.465 -16.955
    7    HA   SER 106           HA       SER 106  16.369 -12.757 -16.239
    8   1HB   SER 106          HB2       SER 106  15.630 -14.407 -18.664
    9   2HB   SER 106          HB3       SER 106  15.335 -12.680 -18.451
   10    HG   SER 106           HG       SER 106  17.716 -12.553 -18.152
   11    H    HIS 107           HN       HIS 107  15.422 -15.158 -14.719
   12    HA   HIS 107           HA       HIS 107  12.535 -14.942 -15.102
   13   1HB   HIS 107          HB2       HIS 107  14.165 -16.591 -13.154
   14   2HB   HIS 107          HB3       HIS 107  12.409 -16.602 -13.238
   15    HD2  HIS 107           HD2      HIS 107  11.524 -17.410 -15.977
   16    HE1  HIS 107           HE1      HIS 107  14.817 -20.055 -16.214
   17    HE2  HIS 107           HE2      HIS 107  12.656 -19.328 -17.315
   18    H    MET 108           HN       MET 108  12.296 -12.750 -14.546
   19    HA   MET 108           HA       MET 108  13.341 -11.867 -11.980
   20   1HB   MET 108          HB2       MET 108  11.841 -10.347 -14.119
   21   2HB   MET 108          HB3       MET 108  12.574  -9.636 -12.687
   22   1HG   MET 108          HG2       MET 108  14.778 -10.465 -13.470
   23   2HG   MET 108          HG3       MET 108  14.000 -11.016 -14.951
   24   1HE   MET 108          HE1       MET 108  14.391  -6.598 -13.685
   25   2HE   MET 108          HE2       MET 108  13.373  -7.757 -12.830
   26   3HE   MET 108          HE3       MET 108  15.126  -7.944 -12.812
   27    H    GLU 109           HN       GLU 109  11.743 -13.648 -11.217
   28    HA   GLU 109           HA       GLU 109   9.038 -12.670 -10.808
   29   1HB   GLU 109          HB2       GLU 109  10.382 -15.109  -9.624
   30   2HB   GLU 109          HB3       GLU 109   8.658 -14.770  -9.658
   31   1HG   GLU 109          HG2       GLU 109   8.627 -15.000 -12.063
   32   2HG   GLU 109          HG3       GLU 109  10.375 -15.253 -12.078
   33    H    GLU 110           HN       GLU 110  11.517 -13.926  -8.598
   34    HA   GLU 110           HA       GLU 110  10.488 -12.315  -6.427
   35   1HB   GLU 110          HB2       GLU 110  12.860 -14.197  -6.512
   36   2HB   GLU 110          HB3       GLU 110  12.158 -13.494  -5.062
   37   1HG   GLU 110          HG2       GLU 110  10.742 -15.381  -6.936
   38   2HG   GLU 110          HG3       GLU 110  11.490 -15.830  -5.405
   39    H    LYS 111           HN       LYS 111  11.231 -10.570  -8.239
   40    HA   LYS 111           HA       LYS 111  13.783  -9.497  -7.243
   41   1HB   LYS 111          HB2       LYS 111  12.767  -9.650 -10.068
   42   2HB   LYS 111          HB3       LYS 111  13.841  -8.344  -9.595
   43   1HG   LYS 111          HG2       LYS 111  15.211  -9.995 -10.544
   44   2HG   LYS 111          HG3       LYS 111  15.452 -10.125  -8.805
   45   1HD   LYS 111          HD2       LYS 111  13.898 -12.020  -8.736
   46   2HD   LYS 111          HD3       LYS 111  13.660 -11.886 -10.479
   47   1HE   LYS 111          HE2       LYS 111  15.241 -13.639 -10.055
   48   2HE   LYS 111          HE3       LYS 111  16.091 -12.281 -10.788
   49   1HZ   LYS 111          HZ1       LYS 111  16.099 -13.082  -7.933
   50   2HZ   LYS 111          HZ2       LYS 111  16.740 -11.614  -8.486
   51   3HZ   LYS 111          HZ3       LYS 111  17.409 -13.085  -9.003
   52    H    HIS 112           HN       HIS 112  13.768  -7.013  -8.227
   53    HA   HIS 112           HA       HIS 112  12.980  -4.920  -7.862
   54   1HB   HIS 112          HB2       HIS 112  10.370  -6.300  -8.495
   55   2HB   HIS 112          HB3       HIS 112  10.492  -4.565  -8.228
   56    HD2  HIS 112           HD2      HIS 112  12.145  -3.212 -10.151
   57    HE1  HIS 112           HE1      HIS 112  11.595  -6.275 -13.017
   58    HE2  HIS 112           HE2      HIS 112  12.187  -3.832 -12.671
   59    H    MET 113           HN       MET 113  13.470  -6.484  -5.611
   60    HA   MET 113           HA       MET 113  11.416  -5.547  -3.727
   61   1HB   MET 113          HB2       MET 113  13.383  -7.823  -3.398
   62   2HB   MET 113          HB3       MET 113  12.232  -7.292  -2.178
   63   1HG   MET 113          HG2       MET 113  11.514  -8.361  -4.895
   64   2HG   MET 113          HG3       MET 113  11.472  -9.280  -3.392
   65   1HE   MET 113          HE1       MET 113   9.047  -8.808  -5.546
   66   2HE   MET 113          HE2       MET 113   8.923  -9.887  -4.157
   67   3HE   MET 113          HE3       MET 113   7.687  -8.661  -4.432
   68    HA   PRO 114           HA       PRO 114  15.925  -4.391  -1.891
   69   1HB   PRO 114          HB2       PRO 114  17.097  -4.126  -4.626
   70   2HB   PRO 114          HB3       PRO 114  17.892  -4.505  -3.093
   71   1HG   PRO 114          HG2       PRO 114  17.377  -6.434  -4.844
   72   2HG   PRO 114          HG3       PRO 114  17.159  -6.709  -3.106
   73   1HD   PRO 114          HD2       PRO 114  15.115  -6.272  -5.229
   74   2HD   PRO 114          HD3       PRO 114  15.032  -7.278  -3.770
   75    HA   PRO 115           HA       PRO 115  15.412  -0.345  -4.721
   76   1HB   PRO 115          HB2       PRO 115  12.900  -1.217  -6.071
   77   2HB   PRO 115          HB3       PRO 115  14.194  -0.174  -6.671
   78   1HG   PRO 115          HG2       PRO 115  13.988  -2.677  -7.520
   79   2HG   PRO 115          HG3       PRO 115  15.579  -1.971  -7.177
   80   1HD   PRO 115          HD2       PRO 115  13.972  -3.899  -5.556
   81   2HD   PRO 115          HD3       PRO 115  15.728  -3.823  -5.807
   82    HA   PRO 116           HA       PRO 116  12.395   0.385  -1.465
   83   1HB   PRO 116          HB2       PRO 116  13.502   2.613  -0.506
   84   2HB   PRO 116          HB3       PRO 116  14.261   1.037  -0.254
   85   1HG   PRO 116          HG2       PRO 116  14.977   3.200  -2.177
   86   2HG   PRO 116          HG3       PRO 116  16.035   2.110  -1.265
   87   1HD   PRO 116          HD2       PRO 116  15.270   1.796  -3.937
   88   2HD   PRO 116          HD3       PRO 116  15.978   0.539  -2.905
   89    H    ASN 117           HN       ASN 117  11.976   3.187  -0.827
   90    HA   ASN 117           HA       ASN 117  10.442   3.926  -3.223
   91   1HB   ASN 117          HB2       ASN 117   8.858   5.067  -1.630
   92   2HB   ASN 117          HB3       ASN 117   8.878   3.309  -1.551
   93   1HD2  ASN 117          HD21      ASN 117   9.680   2.301   0.301
   94   2HD2  ASN 117          HD22      ASN 117   9.937   3.174   1.774
   95    H    MET 118           HN       MET 118  11.358   5.691  -0.258
   96    HA   MET 118           HA       MET 118  13.186   7.421  -1.498
   97   1HB   MET 118          HB2       MET 118  11.938   9.477  -1.678
   98   2HB   MET 118          HB3       MET 118  11.159   8.252  -2.669
   99   1HG   MET 118          HG2       MET 118   9.276   8.203  -1.380
  100   2HG   MET 118          HG3       MET 118  10.172   8.576   0.099
  101   1HE   MET 118          HE1       MET 118  11.767  11.029  -0.281
  102   2HE   MET 118          HE2       MET 118  10.673  12.392  -0.035
  103   3HE   MET 118          HE3       MET 118  10.587  10.992   1.038
  104    H    THR 119           HN       THR 119  11.240   6.422   1.073
  105    HA   THR 119           HA       THR 119  11.548   6.476   3.306
  106    HB   THR 119           HB       THR 119  13.954   8.245   2.835
  107    HG1  THR 119           HG1      THR 119  14.886   5.940   3.299
  108   1HG2  THR 119          HG21      THR 119  13.178   6.472   5.161
  109   2HG2  THR 119          HG22      THR 119  13.180   8.236   5.158
  110   3HG2  THR 119          HG23      THR 119  14.698   7.352   5.008
  111    H    THR 120           HN       THR 120   9.534   7.885   2.667
  112    HA   THR 120           HA       THR 120   9.800  10.321   4.306
  113    HB   THR 120           HB       THR 120   7.304  10.404   3.034
  114    HG1  THR 120           HG1      THR 120   8.877  10.343   0.846
  115   1HG2  THR 120          HG21      THR 120   8.688  12.334   3.584
  116   2HG2  THR 120          HG22      THR 120   8.247  12.353   1.877
  117   3HG2  THR 120          HG23      THR 120   9.867  11.854   2.364
  118    H    ASN 121           HN       ASN 121   6.799  10.392   4.358
  119    HA   ASN 121           HA       ASN 121   5.069   9.728   5.653
  120   1HB   ASN 121          HB2       ASN 121   5.755   7.470   4.427
  121   2HB   ASN 121          HB3       ASN 121   6.198   6.991   6.062
  122   1HD2  ASN 121          HD21      ASN 121   3.590   7.991   3.978
  123   2HD2  ASN 121          HD22      ASN 121   2.306   7.420   4.984
  124    H    GLU 122           HN       GLU 122   7.935  10.343   6.654
  125    HA   GLU 122           HA       GLU 122   8.946  10.731   8.668
  126   1HB   GLU 122          HB2       GLU 122   6.116  11.269   9.559
  127   2HB   GLU 122          HB3       GLU 122   7.589  12.020  10.160
  128   1HG   GLU 122          HG2       GLU 122   6.345  12.369   7.444
  129   2HG   GLU 122          HG3       GLU 122   6.461  13.567   8.731
  130    H    ARG 123           HN       ARG 123   9.328   8.308   8.833
  131    HA   ARG 123           HA       ARG 123   9.911   6.747  10.376
  132   1HB   ARG 123          HB2       ARG 123   9.931   8.558  12.020
  133   2HB   ARG 123          HB3       ARG 123   8.211   8.342  12.295
  134   1HG   ARG 123          HG2       ARG 123   8.668   6.061  13.125
  135   2HG   ARG 123          HG3       ARG 123  10.395   6.373  12.932
  136   1HD   ARG 123          HD2       ARG 123  10.255   8.224  14.504
  137   2HD   ARG 123          HD3       ARG 123   8.519   7.973  14.668
  138    HE   ARG 123           HE       ARG 123  10.195   5.698  15.336
  139   1HH1  ARG 123          HH12      ARG 123   8.433   8.509  16.486
  140   2HH1  ARG 123          HH11      ARG 123   8.361   7.945  18.127
  141   1HH2  ARG 123          HH22      ARG 123  10.111   4.969  17.505
  142   2HH2  ARG 123          HH21      ARG 123   9.299   5.937  18.705
  143    H    ARG 124           HN       ARG 124   6.577   7.389   9.707
  144    HA   ARG 124           HA       ARG 124   5.451   5.209  11.141
  145   1HB   ARG 124          HB2       ARG 124   4.366   6.578   8.680
  146   2HB   ARG 124          HB3       ARG 124   3.456   5.558   9.782
  147   1HG   ARG 124          HG2       ARG 124   3.526   7.157  11.493
  148   2HG   ARG 124          HG3       ARG 124   4.805   8.077  10.691
  149   1HD   ARG 124          HD2       ARG 124   2.715   9.232  10.394
  150   2HD   ARG 124          HD3       ARG 124   3.237   8.567   8.843
  151    HE   ARG 124           HE       ARG 124   1.300   7.049  10.452
  152   1HH1  ARG 124          HH12      ARG 124   1.988   9.047   7.666
  153   2HH1  ARG 124          HH11      ARG 124   0.537   8.611   6.825
  154   1HH2  ARG 124          HH22      ARG 124  -0.628   6.436   9.351
  155   2HH2  ARG 124          HH21      ARG 124  -0.953   7.114   7.785
  156    H    VAL 125           HN       VAL 125   5.246   5.433   7.612
  157    HA   VAL 125           HA       VAL 125   5.725   2.541   7.493
  158    HB   VAL 125           HB       VAL 125   4.648   4.223   5.247
  159   1HG1  VAL 125          HG11      VAL 125   5.382   2.010   4.617
  160   2HG1  VAL 125          HG12      VAL 125   4.381   1.294   5.879
  161   3HG1  VAL 125          HG13      VAL 125   3.625   2.120   4.518
  162   1HG2  VAL 125          HG21      VAL 125   2.995   2.861   7.357
  163   2HG2  VAL 125          HG22      VAL 125   3.214   4.605   7.186
  164   3HG2  VAL 125          HG23      VAL 125   2.388   3.692   5.922
  165    H    ILE 126           HN       ILE 126   7.292   5.377   7.013
  166    HA   ILE 126           HA       ILE 126   9.070   6.147   5.807
  167    HB   ILE 126           HB       ILE 126   9.802   3.211   5.629
  168   1HG1  ILE 126          HG12      ILE 126   9.398   3.888   7.956
  169   2HG1  ILE 126          HG13      ILE 126  11.113   3.600   7.674
  170   1HG2  ILE 126          HG21      ILE 126  11.100   4.630   4.125
  171   2HG2  ILE 126          HG22      ILE 126  11.531   5.679   5.476
  172   3HG2  ILE 126          HG23      ILE 126  12.102   4.011   5.438
  173   1HD1  ILE 126          HD11      ILE 126  10.764   5.564   9.051
  174   2HD1  ILE 126          HD12      ILE 126  11.482   6.006   7.502
  175   3HD1  ILE 126          HD13      ILE 126   9.766   6.289   7.790
  176    H    VAL 127           HN       VAL 127   7.035   6.358   4.268
  177    HA   VAL 127           HA       VAL 127   7.874   5.405   1.627
  178    HB   VAL 127           HB       VAL 127   5.562   4.774   1.035
  179   1HG1  VAL 127          HG11      VAL 127   7.077   3.009   1.706
  180   2HG1  VAL 127          HG12      VAL 127   6.646   3.255   3.399
  181   3HG1  VAL 127          HG13      VAL 127   5.440   2.656   2.262
  182   1HG2  VAL 127          HG21      VAL 127   5.051   5.429   3.909
  183   2HG2  VAL 127          HG22      VAL 127   4.205   6.005   2.478
  184   3HG2  VAL 127          HG23      VAL 127   3.999   4.335   3.009
  185    HA   PRO 128           HA       PRO 128   6.768   9.532   0.357
  186   1HB   PRO 128          HB2       PRO 128   5.589   8.957  -2.082
  187   2HB   PRO 128          HB3       PRO 128   7.321   9.160  -1.822
  188   1HG   PRO 128          HG2       PRO 128   5.709   6.651  -2.014
  189   2HG   PRO 128          HG3       PRO 128   7.333   6.991  -2.643
  190   1HD   PRO 128          HD2       PRO 128   6.979   5.545  -0.412
  191   2HD   PRO 128          HD3       PRO 128   8.339   6.671  -0.573
  192    H    ALA 129           HN       ALA 129   5.094  10.577   1.228
  193    HA   ALA 129           HA       ALA 129   2.524   9.795   1.650
  194   1HB   ALA 129          HB1       ALA 129   1.878  12.149   1.621
  195   2HB   ALA 129          HB2       ALA 129   3.419  11.903   2.446
  196   3HB   ALA 129          HB3       ALA 129   3.390  12.549   0.807
  197    H    ASP 130           HN       ASP 130   3.936  10.465  -1.431
  198    HA   ASP 130           HA       ASP 130   1.392  10.061  -2.835
  199   1HB   ASP 130          HB2       ASP 130   3.840  11.210  -3.586
  200   2HB   ASP 130          HB3       ASP 130   3.804   9.658  -4.400
  201    HA   PRO 131           HA       PRO 131   2.084   5.714  -2.060
  202   1HB   PRO 131          HB2       PRO 131  -0.595   5.465  -3.208
  203   2HB   PRO 131          HB3       PRO 131  -0.025   5.034  -1.595
  204   1HG   PRO 131          HG2       PRO 131  -1.679   7.123  -2.042
  205   2HG   PRO 131          HG3       PRO 131  -0.485   7.113  -0.734
  206   1HD   PRO 131          HD2       PRO 131  -0.368   8.464  -3.396
  207   2HD   PRO 131          HD3       PRO 131   0.177   9.043  -1.809
  208    H    THR 132           HN       THR 132   2.887   7.157  -4.547
  209    HA   THR 132           HA       THR 132   2.215   5.253  -6.620
  210    HB   THR 132           HB       THR 132   3.724   6.897  -7.930
  211    HG1  THR 132           HG1      THR 132   3.082   8.966  -6.314
  212   1HG2  THR 132          HG21      THR 132   1.112   7.885  -6.783
  213   2HG2  THR 132          HG22      THR 132   1.272   6.781  -8.150
  214   3HG2  THR 132          HG23      THR 132   1.871   8.434  -8.279
  215    H    LEU 133           HN       LEU 133   4.949   6.345  -4.684
  216    HA   LEU 133           HA       LEU 133   6.692   4.475  -6.119
  217   1HB   LEU 133          HB2       LEU 133   7.741   6.278  -3.998
  218   2HB   LEU 133          HB3       LEU 133   8.481   5.793  -5.509
  219    HG   LEU 133           HG       LEU 133   6.294   7.875  -5.239
  220   1HD1  LEU 133          HD11      LEU 133   9.266   8.166  -5.684
  221   2HD1  LEU 133          HD12      LEU 133   8.081   9.471  -5.744
  222   3HD1  LEU 133          HD13      LEU 133   8.375   8.616  -4.229
  223   1HD2  LEU 133          HD21      LEU 133   6.287   6.715  -7.407
  224   2HD2  LEU 133          HD22      LEU 133   6.809   8.393  -7.564
  225   3HD2  LEU 133          HD23      LEU 133   7.998   7.091  -7.612
  226    H    TRP 134           HN       TRP 134   4.760   4.303  -3.412
  227    HA   TRP 134           HA       TRP 134   6.233   3.012  -1.544
  228   1HB   TRP 134          HB2       TRP 134   3.521   2.293  -2.650
  229   2HB   TRP 134          HB3       TRP 134   4.207   1.542  -1.213
  230    HD1  TRP 134           HD1      TRP 134   5.222   5.010  -1.069
  231    HE1  TRP 134           HE1      TRP 134   3.655   6.413   0.384
  232    HE3  TRP 134           HE3      TRP 134   1.362   1.698  -0.676
  233    HZ2  TRP 134           HZ2      TRP 134   1.106   6.131   1.590
  234    HZ3  TRP 134           HZ3      TRP 134  -0.602   2.334   0.659
  235    HH2  TRP 134           HH2      TRP 134  -0.727   4.503   1.770
  236    H    SER 135           HN       SER 135   7.557   1.305  -1.597
  237    HA   SER 135           HA       SER 135   7.977  -0.104  -4.009
  238   1HB   SER 135          HB2       SER 135   9.797   0.324  -2.399
  239   2HB   SER 135          HB3       SER 135   9.007  -0.733  -1.229
  240    HG   SER 135           HG       SER 135  10.752  -1.443  -3.018
  241    H    THR 136           HN       THR 136   7.641  -2.189  -4.461
  242    HA   THR 136           HA       THR 136   5.383  -3.595  -4.116
  243    HB   THR 136           HB       THR 136   6.815  -5.775  -4.077
  244    HG1  THR 136           HG1      THR 136   9.028  -5.261  -4.754
  245   1HG2  THR 136          HG21      THR 136   7.154  -3.745  -6.292
  246   2HG2  THR 136          HG22      THR 136   5.777  -4.829  -6.091
  247   3HG2  THR 136          HG23      THR 136   7.375  -5.488  -6.444
  248    H    ASP 137           HN       ASP 137   8.064  -3.719  -1.794
  249    HA   ASP 137           HA       ASP 137   6.677  -5.524  -0.004
  250   1HB   ASP 137          HB2       ASP 137   9.143  -5.598  -0.145
  251   2HB   ASP 137          HB3       ASP 137   9.217  -3.935   0.435
  252    H    HIS 138           HN       HIS 138   7.438  -2.007  -0.138
  253    HA   HIS 138           HA       HIS 138   6.378  -1.414   2.382
  254   1HB   HIS 138          HB2       HIS 138   7.028   0.196  -0.067
  255   2HB   HIS 138          HB3       HIS 138   6.337   0.932   1.373
  256    HD2  HIS 138           HD2      HIS 138   7.964   0.925   3.622
  257    HE1  HIS 138           HE1      HIS 138  11.458  -0.096   1.466
  258    HE2  HIS 138           HE2      HIS 138  10.521   0.463   3.758
  259    H    VAL 139           HN       VAL 139   4.707  -2.401  -0.396
  260    HA   VAL 139           HA       VAL 139   2.547  -0.490  -0.007
  261    HB   VAL 139           HB       VAL 139   3.197  -2.476  -2.155
  262   1HG1  VAL 139          HG11      VAL 139   0.363  -1.638  -1.522
  263   2HG1  VAL 139          HG12      VAL 139   0.879  -2.447  -3.001
  264   3HG1  VAL 139          HG13      VAL 139   1.001  -3.282  -1.452
  265   1HG2  VAL 139          HG21      VAL 139   3.629  -0.113  -2.469
  266   2HG2  VAL 139          HG22      VAL 139   2.366  -0.666  -3.574
  267   3HG2  VAL 139          HG23      VAL 139   1.935   0.253  -2.132
  268    H    ARG 140           HN       ARG 140   3.495  -3.849   0.349
  269    HA   ARG 140           HA       ARG 140   1.082  -4.772   1.531
  270   1HB   ARG 140          HB2       ARG 140   3.939  -5.691   1.752
  271   2HB   ARG 140          HB3       ARG 140   2.653  -6.427   2.690
  272   1HG   ARG 140          HG2       ARG 140   2.372  -7.788   0.984
  273   2HG   ARG 140          HG3       ARG 140   1.662  -6.412   0.152
  274   1HD   ARG 140          HD2       ARG 140   3.329  -7.228  -1.307
  275   2HD   ARG 140          HD3       ARG 140   4.031  -5.805  -0.525
  276    HE   ARG 140           HE       ARG 140   5.007  -7.577   1.081
  277   1HH1  ARG 140          HH12      ARG 140   4.668  -7.892  -2.401
  278   2HH1  ARG 140          HH11      ARG 140   5.897  -9.109  -2.525
  279   1HH2  ARG 140          HH22      ARG 140   6.624  -9.167   0.900
  280   2HH2  ARG 140          HH21      ARG 140   7.016  -9.834  -0.660
  281    H    GLN 141           HN       GLN 141   3.683  -2.763   2.534
  282    HA   GLN 141           HA       GLN 141   3.720  -3.570   5.198
  283   1HB   GLN 141          HB2       GLN 141   5.678  -2.534   4.270
  284   2HB   GLN 141          HB3       GLN 141   4.762  -1.122   3.778
  285   1HG   GLN 141          HG2       GLN 141   4.587  -0.316   5.925
  286   2HG   GLN 141          HG3       GLN 141   5.022  -1.870   6.657
  287   1HE2  GLN 141          HE21      GLN 141   7.195  -2.193   4.610
  288   2HE2  GLN 141          HE22      GLN 141   8.479  -1.179   5.169
  289    H    TRP 142           HN       TRP 142   2.735  -0.359   3.920
  290    HA   TRP 142           HA       TRP 142   1.081   0.426   5.935
  291   1HB   TRP 142          HB2       TRP 142   1.644   1.764   3.927
  292   2HB   TRP 142          HB3       TRP 142   0.560   0.770   2.977
  293    HD1  TRP 142           HD1      TRP 142   0.396   3.244   5.953
  294    HE1  TRP 142           HE1      TRP 142  -1.923   4.366   5.929
  295    HE3  TRP 142           HE3      TRP 142  -1.730   0.641   2.092
  296    HZ2  TRP 142           HZ2      TRP 142  -4.318   4.188   4.461
  297    HZ3  TRP 142           HZ3      TRP 142  -4.042   1.186   1.441
  298    HH2  TRP 142           HH2      TRP 142  -5.310   2.922   2.608
  299    H    LEU 143           HN       LEU 143  -0.033  -1.087   3.021
  300    HA   LEU 143           HA       LEU 143  -2.578  -1.609   3.506
  301   1HB   LEU 143          HB2       LEU 143  -1.225  -2.358   1.535
  302   2HB   LEU 143          HB3       LEU 143  -0.775  -3.777   2.450
  303    HG   LEU 143           HG       LEU 143  -3.388  -4.107   2.577
  304   1HD1  LEU 143          HD11      LEU 143  -4.440  -3.407   0.463
  305   2HD1  LEU 143          HD12      LEU 143  -3.989  -2.035   1.481
  306   3HD1  LEU 143          HD13      LEU 143  -2.995  -2.463   0.085
  307   1HD2  LEU 143          HD21      LEU 143  -3.212  -5.521   0.619
  308   2HD2  LEU 143          HD22      LEU 143  -1.750  -4.666   0.124
  309   3HD2  LEU 143          HD23      LEU 143  -1.750  -5.623   1.603
  310    H    GLU 144           HN       GLU 144  -0.023  -3.283   5.071
  311    HA   GLU 144           HA       GLU 144  -1.808  -5.135   6.509
  312   1HB   GLU 144          HB2       GLU 144   1.184  -4.739   6.639
  313   2HB   GLU 144          HB3       GLU 144   0.328  -5.806   7.741
  314   1HG   GLU 144          HG2       GLU 144  -0.354  -7.208   5.916
  315   2HG   GLU 144          HG3       GLU 144   0.306  -6.082   4.746
  316    H    TRP 145           HN       TRP 145   0.492  -2.602   7.283
  317    HA   TRP 145           HA       TRP 145  -0.204  -2.212   9.976
  318   1HB   TRP 145          HB2       TRP 145   1.765  -1.180   9.614
  319   2HB   TRP 145          HB3       TRP 145   1.421  -0.922   7.915
  320    HD1  TRP 145           HD1      TRP 145   1.057   1.501   7.199
  321    HE1  TRP 145           HE1      TRP 145   0.745   3.734   8.416
  322    HE3  TRP 145           HE3      TRP 145   0.595  -0.252  11.945
  323    HZ2  TRP 145           HZ2      TRP 145   0.337   4.637  11.060
  324    HZ3  TRP 145           HZ3      TRP 145   0.250   1.356  13.782
  325    HH2  TRP 145           HH2      TRP 145   0.121   3.755  13.344
  326    H    ALA 146           HN       ALA 146  -2.037  -1.664   7.299
  327    HA   ALA 146           HA       ALA 146  -3.432   0.700   8.338
  328   1HB   ALA 146          HB1       ALA 146  -2.906   0.707   5.966
  329   2HB   ALA 146          HB2       ALA 146  -3.824  -0.785   5.744
  330   3HB   ALA 146          HB3       ALA 146  -4.652   0.698   6.219
  331    H    VAL 147           HN       VAL 147  -4.053  -2.759   7.523
  332    HA   VAL 147           HA       VAL 147  -6.527  -2.979   8.663
  333    HB   VAL 147           HB       VAL 147  -4.190  -4.884   8.912
  334   1HG1  VAL 147          HG11      VAL 147  -7.140  -5.442   9.149
  335   2HG1  VAL 147          HG12      VAL 147  -5.847  -6.640   9.191
  336   3HG1  VAL 147          HG13      VAL 147  -5.982  -5.444  10.482
  337   1HG2  VAL 147          HG21      VAL 147  -5.214  -5.968   6.934
  338   2HG2  VAL 147          HG22      VAL 147  -6.359  -4.627   6.833
  339   3HG2  VAL 147          HG23      VAL 147  -4.633  -4.334   6.611
  340    H    LYS 148           HN       LYS 148  -3.569  -2.161  10.271
  341    HA   LYS 148           HA       LYS 148  -4.760  -2.637  12.935
  342   1HB   LYS 148          HB2       LYS 148  -2.054  -1.437  12.317
  343   2HB   LYS 148          HB3       LYS 148  -2.598  -2.125  13.841
  344   1HG   LYS 148          HG2       LYS 148  -2.194  -3.688  11.303
  345   2HG   LYS 148          HG3       LYS 148  -1.015  -3.561  12.609
  346   1HD   LYS 148          HD2       LYS 148  -2.612  -4.596  14.147
  347   2HD   LYS 148          HD3       LYS 148  -3.798  -4.702  12.843
  348   1HE   LYS 148          HE2       LYS 148  -2.575  -6.824  13.268
  349   2HE   LYS 148          HE3       LYS 148  -2.418  -6.221  11.618
  350   1HZ   LYS 148          HZ1       LYS 148  -0.248  -5.346  12.162
  351   2HZ   LYS 148          HZ2       LYS 148  -0.300  -7.000  12.519
  352   3HZ   LYS 148          HZ3       LYS 148  -0.403  -5.856  13.773
  353    H    GLU 149           HN       GLU 149  -3.976  -0.393  10.684
  354    HA   GLU 149           HA       GLU 149  -3.889   1.956  12.363
  355   1HB   GLU 149          HB2       GLU 149  -2.541   1.988  10.295
  356   2HB   GLU 149          HB3       GLU 149  -4.024   2.042   9.344
  357   1HG   GLU 149          HG2       GLU 149  -4.555   4.189  10.039
  358   2HG   GLU 149          HG3       GLU 149  -3.531   4.085  11.466
  359    H    TYR 150           HN       TYR 150  -6.248   0.799   9.936
  360    HA   TYR 150           HA       TYR 150  -8.127   2.694  11.136
  361   1HB   TYR 150          HB2       TYR 150  -8.386   1.451   8.404
  362   2HB   TYR 150          HB3       TYR 150  -9.167   2.886   9.026
  363    HD1  TYR 150           HD1      TYR 150  -7.414   4.799   9.790
  364    HD2  TYR 150           HD2      TYR 150  -6.699   1.756   6.905
  365    HE1  TYR 150           HE1      TYR 150  -5.630   6.172   8.792
  366    HE2  TYR 150           HE2      TYR 150  -4.920   3.113   5.902
  367    HH   TYR 150           HH       TYR 150  -3.418   5.508   7.346
  368    H    GLY 151           HN       GLY 151  -7.426  -0.440  11.370
  369   1HA   GLY 151          HA1       GLY 151  -8.630  -2.097  12.428
  370   2HA   GLY 151          HA2       GLY 151  -9.965  -0.963  12.561
  371    H    LEU 152           HN       LEU 152  -8.324  -2.258   9.731
  372    HA   LEU 152           HA       LEU 152 -10.724  -2.941   8.343
  373   1HB   LEU 152          HB2       LEU 152  -7.829  -3.653   7.903
  374   2HB   LEU 152          HB3       LEU 152  -9.126  -4.021   6.775
  375    HG   LEU 152           HG       LEU 152  -8.512  -1.214   7.683
  376   1HD1  LEU 152          HD11      LEU 152  -6.534  -2.093   6.577
  377   2HD1  LEU 152          HD12      LEU 152  -7.518  -2.633   5.215
  378   3HD1  LEU 152          HD13      LEU 152  -7.351  -0.910   5.555
  379   1HD2  LEU 152          HD21      LEU 152 -10.054  -2.322   5.345
  380   2HD2  LEU 152          HD22      LEU 152 -10.743  -1.592   6.795
  381   3HD2  LEU 152          HD23      LEU 152  -9.782  -0.612   5.688
  382    HA   PRO 153           HA       PRO 153 -11.448  -6.550  10.893
  383   1HB   PRO 153          HB2       PRO 153 -13.506  -7.063   8.818
  384   2HB   PRO 153          HB3       PRO 153 -13.677  -6.958  10.573
  385   1HG   PRO 153          HG2       PRO 153 -14.528  -4.982   9.007
  386   2HG   PRO 153          HG3       PRO 153 -13.747  -4.642  10.562
  387   1HD   PRO 153          HD2       PRO 153 -12.617  -4.454   7.799
  388   2HD   PRO 153          HD3       PRO 153 -12.384  -3.374   9.187
  389    H    ASP 154           HN       ASP 154 -11.406  -6.796   7.341
  390    HA   ASP 154           HA       ASP 154  -9.608  -9.025   7.485
  391   1HB   ASP 154          HB2       ASP 154 -11.757 -10.166   7.883
  392   2HB   ASP 154          HB3       ASP 154 -12.382  -9.505   6.374
  393    H    VAL 155           HN       VAL 155  -8.396  -7.491   6.306
  394    HA   VAL 155           HA       VAL 155  -9.210  -7.179   3.509
  395    HB   VAL 155           HB       VAL 155  -6.984  -5.904   5.114
  396   1HG1  VAL 155          HG11      VAL 155  -6.434  -4.610   3.118
  397   2HG1  VAL 155          HG12      VAL 155  -6.179  -6.333   2.836
  398   3HG1  VAL 155          HG13      VAL 155  -7.609  -5.533   2.183
  399   1HG2  VAL 155          HG21      VAL 155  -9.422  -4.770   3.756
  400   2HG2  VAL 155          HG22      VAL 155  -9.211  -5.006   5.491
  401   3HG2  VAL 155          HG23      VAL 155  -8.203  -3.843   4.631
  402    H    ASN 156           HN       ASN 156  -8.168  -8.234   1.867
  403    HA   ASN 156           HA       ASN 156  -6.401 -10.394   2.754
  404   1HB   ASN 156          HB2       ASN 156  -8.526 -10.381   0.966
  405   2HB   ASN 156          HB3       ASN 156  -7.102 -10.444  -0.069
  406   1HD2  ASN 156          HD21      ASN 156  -5.760 -11.724   2.393
  407   2HD2  ASN 156          HD22      ASN 156  -6.216 -13.376   2.274
  408    H    ILE 157           HN       ILE 157  -4.304  -9.941   2.716
  409    HA   ILE 157           HA       ILE 157  -3.577  -7.677   1.093
  410    HB   ILE 157           HB       ILE 157  -2.169  -9.062   3.389
  411   1HG1  ILE 157          HG12      ILE 157  -3.430  -6.325   3.203
  412   2HG1  ILE 157          HG13      ILE 157  -4.203  -7.757   3.857
  413   1HG2  ILE 157          HG21      ILE 157  -1.235  -6.570   1.979
  414   2HG2  ILE 157          HG22      ILE 157  -0.516  -7.290   3.418
  415   3HG2  ILE 157          HG23      ILE 157  -0.470  -8.156   1.883
  416   1HD1  ILE 157          HD11      ILE 157  -2.454  -7.881   5.575
  417   2HD1  ILE 157          HD12      ILE 157  -1.797  -6.366   4.950
  418   3HD1  ILE 157          HD13      ILE 157  -3.416  -6.404   5.646
  419    H    LEU 158           HN       LEU 158  -2.816 -11.104   1.228
  420    HA   LEU 158           HA       LEU 158  -0.422 -10.937  -0.233
  421   1HB   LEU 158          HB2       LEU 158  -0.764 -13.351  -0.648
  422   2HB   LEU 158          HB3       LEU 158  -0.858 -12.897   1.038
  423    HG   LEU 158           HG       LEU 158  -3.395 -13.159  -0.533
  424   1HD1  LEU 158          HD11      LEU 158  -1.849 -15.453   0.677
  425   2HD1  LEU 158          HD12      LEU 158  -3.492 -15.537   0.042
  426   3HD1  LEU 158          HD13      LEU 158  -2.143 -15.197  -1.043
  427   1HD2  LEU 158          HD21      LEU 158  -4.269 -13.822   1.640
  428   2HD2  LEU 158          HD22      LEU 158  -2.651 -13.734   2.334
  429   3HD2  LEU 158          HD23      LEU 158  -3.442 -12.269   1.749
  430    H    LEU 159           HN       LEU 159  -3.288  -9.861  -1.358
  431    HA   LEU 159           HA       LEU 159  -2.981 -11.050  -4.029
  432   1HB   LEU 159          HB2       LEU 159  -5.201  -9.418  -2.789
  433   2HB   LEU 159          HB3       LEU 159  -5.109  -9.722  -4.509
  434    HG   LEU 159           HG       LEU 159  -5.217 -12.184  -3.996
  435   1HD1  LEU 159          HD11      LEU 159  -5.955 -11.190  -1.250
  436   2HD1  LEU 159          HD12      LEU 159  -6.090 -12.853  -1.819
  437   3HD1  LEU 159          HD13      LEU 159  -4.504 -12.097  -1.667
  438   1HD2  LEU 159          HD21      LEU 159  -7.631 -12.164  -3.632
  439   2HD2  LEU 159          HD22      LEU 159  -7.545 -10.482  -3.110
  440   3HD2  LEU 159          HD23      LEU 159  -7.155 -10.908  -4.777
  441    H    PHE 160           HN       PHE 160  -2.422  -8.268  -2.140
  442    HA   PHE 160           HA       PHE 160  -2.004  -6.605  -4.473
  443   1HB   PHE 160          HB2       PHE 160  -1.753  -5.984  -1.525
  444   2HB   PHE 160          HB3       PHE 160  -1.493  -4.808  -2.807
  445    HD1  PHE 160           HD1      PHE 160  -3.984  -6.847  -1.056
  446    HD2  PHE 160           HD2      PHE 160  -3.341  -3.876  -4.035
  447    HE1  PHE 160           HE1      PHE 160  -6.393  -6.343  -1.068
  448    HE2  PHE 160           HE2      PHE 160  -5.748  -3.368  -4.055
  449    HZ   PHE 160           HZ       PHE 160  -7.276  -4.593  -2.577
  450    H    GLN 161           HN       GLN 161  -0.291  -8.849  -2.841
  451    HA   GLN 161           HA       GLN 161   2.143  -7.861  -2.133
  452   1HB   GLN 161          HB2       GLN 161   1.286 -10.518  -3.150
  453   2HB   GLN 161          HB3       GLN 161   3.007 -10.204  -2.981
  454   1HG   GLN 161          HG2       GLN 161   2.591  -9.577  -0.608
  455   2HG   GLN 161          HG3       GLN 161   0.915 -10.085  -0.824
  456   1HE2  GLN 161          HE21      GLN 161   1.163 -11.668   0.771
  457   2HE2  GLN 161          HE22      GLN 161   2.018 -13.139   0.470
  458    H    ASN 162           HN       ASN 162   1.135  -8.507  -5.460
  459    HA   ASN 162           HA       ASN 162   3.896  -8.079  -6.361
  460   1HB   ASN 162          HB2       ASN 162   1.447  -8.852  -7.970
  461   2HB   ASN 162          HB3       ASN 162   3.102  -8.792  -8.568
  462   1HD2  ASN 162          HD21      ASN 162   0.803 -10.532  -6.649
  463   2HD2  ASN 162          HD22      ASN 162   1.749 -11.973  -6.453
  464    H    ILE 163           HN       ILE 163   1.555  -6.226  -5.404
  465    HA   ILE 163           HA       ILE 163   1.707  -4.237  -7.567
  466    HB   ILE 163           HB       ILE 163  -0.130  -4.500  -5.173
  467   1HG1  ILE 163          HG12      ILE 163  -0.768  -4.654  -8.123
  468   2HG1  ILE 163          HG13      ILE 163  -0.594  -6.042  -7.051
  469   1HG2  ILE 163          HG21      ILE 163   0.321  -2.149  -5.591
  470   2HG2  ILE 163          HG22      ILE 163  -0.159  -2.349  -7.276
  471   3HG2  ILE 163          HG23      ILE 163  -1.347  -2.561  -5.989
  472   1HD1  ILE 163          HD11      ILE 163  -2.630  -3.855  -6.721
  473   2HD1  ILE 163          HD12      ILE 163  -2.936  -5.432  -7.453
  474   3HD1  ILE 163          HD13      ILE 163  -2.490  -5.320  -5.748
  475    H    ASP 164           HN       ASP 164   2.954  -2.496  -7.349
  476    HA   ASP 164           HA       ASP 164   3.577  -1.676  -4.594
  477   1HB   ASP 164          HB2       ASP 164   5.582  -0.652  -5.304
  478   2HB   ASP 164          HB3       ASP 164   5.545  -2.220  -6.092
  479    H    GLY 165           HN       GLY 165   4.249   0.982  -5.042
  480   1HA   GLY 165          HA1       GLY 165   1.667   2.030  -4.698
  481   2HA   GLY 165          HA2       GLY 165   3.128   2.979  -4.892
  482    H    LYS 166           HN       LYS 166   3.618   1.735  -7.564
  483    HA   LYS 166           HA       LYS 166   2.337   3.856  -9.002
  484   1HB   LYS 166          HB2       LYS 166   3.601   2.990 -10.911
  485   2HB   LYS 166          HB3       LYS 166   4.629   3.070  -9.484
  486   1HG   LYS 166          HG2       LYS 166   4.554   0.777  -9.139
  487   2HG   LYS 166          HG3       LYS 166   3.212   0.580 -10.247
  488   1HD   LYS 166          HD2       LYS 166   5.199  -0.212 -11.340
  489   2HD   LYS 166          HD3       LYS 166   4.751   1.321 -12.093
  490   1HE   LYS 166          HE2       LYS 166   7.148   1.225 -11.672
  491   2HE   LYS 166          HE3       LYS 166   6.385   2.487 -10.705
  492   1HZ   LYS 166          HZ1       LYS 166   7.308  -0.180  -9.786
  493   2HZ   LYS 166          HZ2       LYS 166   6.325   0.830  -8.847
  494   3HZ   LYS 166          HZ3       LYS 166   7.876   1.339  -9.298
  495    H    GLU 167           HN       GLU 167   1.678   0.595  -8.310
  496    HA   GLU 167           HA       GLU 167  -0.285   0.358 -10.453
  497   1HB   GLU 167          HB2       GLU 167   1.169  -1.559 -10.075
  498   2HB   GLU 167          HB3       GLU 167   0.689  -1.624  -8.387
  499   1HG   GLU 167          HG2       GLU 167  -0.418  -3.363  -9.615
  500   2HG   GLU 167          HG3       GLU 167  -1.603  -2.172  -9.084
  501    H    LEU 168           HN       LEU 168  -0.012   0.889  -7.012
  502    HA   LEU 168           HA       LEU 168  -2.832   0.446  -6.507
  503   1HB   LEU 168          HB2       LEU 168  -0.955  -0.111  -4.877
  504   2HB   LEU 168          HB3       LEU 168  -0.720   1.614  -4.679
  505    HG   LEU 168           HG       LEU 168  -3.117   1.728  -3.871
  506   1HD1  LEU 168          HD11      LEU 168  -4.101  -0.353  -3.052
  507   2HD1  LEU 168          HD12      LEU 168  -3.880  -0.394  -4.801
  508   3HD1  LEU 168          HD13      LEU 168  -2.762  -1.264  -3.752
  509   1HD2  LEU 168          HD21      LEU 168  -1.180   0.053  -2.278
  510   2HD2  LEU 168          HD22      LEU 168  -1.182   1.814  -2.371
  511   3HD2  LEU 168          HD23      LEU 168  -2.542   0.968  -1.632
  512    H    CYS 169           HN       CYS 169  -0.776   3.094  -7.247
  513    HA   CYS 169           HA       CYS 169  -2.585   5.209  -6.572
  514   1HB   CYS 169          HB2       CYS 169  -0.377   5.862  -6.956
  515   2HB   CYS 169          HB3       CYS 169  -0.271   4.940  -8.461
  516    HG   CYS 169           HG       CYS 169  -2.670   7.081  -8.882
  517    H    LYS 170           HN       LYS 170  -2.478   2.823  -9.144
  518    HA   LYS 170           HA       LYS 170  -4.300   4.414 -10.854
  519   1HB   LYS 170          HB2       LYS 170  -2.589   2.002 -11.480
  520   2HB   LYS 170          HB3       LYS 170  -3.637   2.845 -12.607
  521   1HG   LYS 170          HG2       LYS 170  -2.230   4.835 -12.433
  522   2HG   LYS 170          HG3       LYS 170  -1.176   3.984 -11.297
  523   1HD   LYS 170          HD2       LYS 170  -0.712   2.294 -13.024
  524   2HD   LYS 170          HD3       LYS 170  -1.730   3.184 -14.156
  525   1HE   LYS 170          HE2       LYS 170  -0.224   5.114 -13.966
  526   2HE   LYS 170          HE3       LYS 170   0.800   4.193 -12.863
  527   1HZ   LYS 170          HZ1       LYS 170   0.242   3.538 -15.702
  528   2HZ   LYS 170          HZ2       LYS 170   1.141   2.564 -14.652
  529   3HZ   LYS 170          HZ3       LYS 170   1.708   4.103 -15.072
  530    H    MET 171           HN       MET 171  -4.775   2.613  -8.350
  531    HA   MET 171           HA       MET 171  -6.580   0.696  -9.623
  532   1HB   MET 171          HB2       MET 171  -6.385   1.142  -6.664
  533   2HB   MET 171          HB3       MET 171  -6.958  -0.277  -7.529
  534   1HG   MET 171          HG2       MET 171  -4.431  -0.230  -8.396
  535   2HG   MET 171          HG3       MET 171  -4.231   0.579  -6.852
  536   1HE   MET 171          HE1       MET 171  -5.493  -3.749  -7.544
  537   2HE   MET 171          HE2       MET 171  -6.274  -2.375  -8.324
  538   3HE   MET 171          HE3       MET 171  -4.585  -2.734  -8.665
  539    H    THR 172           HN       THR 172  -8.738   0.922  -9.692
  540    HA   THR 172           HA       THR 172  -9.900   3.323  -8.498
  541    HB   THR 172           HB       THR 172 -11.932   2.641  -9.779
  542    HG1  THR 172           HG1      THR 172 -10.148   0.606 -10.673
  543   1HG2  THR 172          HG21      THR 172  -9.399   3.046 -11.363
  544   2HG2  THR 172          HG22      THR 172 -10.425   4.310 -10.686
  545   3HG2  THR 172          HG23      THR 172 -11.031   3.285 -11.988
  546    H    LYS 173           HN       LYS 173 -12.174   2.950  -7.523
  547    HA   LYS 173           HA       LYS 173 -11.973   1.296  -5.297
  548   1HB   LYS 173          HB2       LYS 173 -14.365   1.663  -4.949
  549   2HB   LYS 173          HB3       LYS 173 -13.548   3.154  -5.393
  550   1HG   LYS 173          HG2       LYS 173 -14.371   2.898  -7.693
  551   2HG   LYS 173          HG3       LYS 173 -15.223   1.426  -7.205
  552   1HD   LYS 173          HD2       LYS 173 -16.608   2.657  -5.690
  553   2HD   LYS 173          HD3       LYS 173 -15.657   4.124  -5.930
  554   1HE   LYS 173          HE2       LYS 173 -16.361   4.180  -8.283
  555   2HE   LYS 173          HE3       LYS 173 -17.331   2.731  -8.019
  556   1HZ   LYS 173          HZ1       LYS 173 -18.665   3.942  -6.429
  557   2HZ   LYS 173          HZ2       LYS 173 -18.665   4.751  -7.918
  558   3HZ   LYS 173          HZ3       LYS 173 -17.717   5.334  -6.635
  559    H    ASP 174           HN       ASP 174 -13.079   0.563  -8.526
  560    HA   ASP 174           HA       ASP 174 -14.423  -1.856  -7.901
  561   1HB   ASP 174          HB2       ASP 174 -14.934  -0.734  -9.960
  562   2HB   ASP 174          HB3       ASP 174 -13.247  -0.750 -10.457
  563    H    ASP 175           HN       ASP 175 -11.108  -0.991  -8.470
  564    HA   ASP 175           HA       ASP 175 -10.154  -3.585  -9.131
  565   1HB   ASP 175          HB2       ASP 175  -8.823  -1.045  -8.230
  566   2HB   ASP 175          HB3       ASP 175  -7.918  -2.533  -8.451
  567    H    PHE 176           HN       PHE 176 -10.535  -1.785  -6.138
  568    HA   PHE 176           HA       PHE 176  -9.183  -3.847  -4.649
  569   1HB   PHE 176          HB2       PHE 176 -10.925  -1.593  -3.593
  570   2HB   PHE 176          HB3       PHE 176  -9.918  -2.642  -2.612
  571    HD1  PHE 176           HD1      PHE 176  -9.829   0.018  -5.168
  572    HD2  PHE 176           HD2      PHE 176  -7.659  -2.170  -2.237
  573    HE1  PHE 176           HE1      PHE 176  -7.989   1.637  -5.330
  574    HE2  PHE 176           HE2      PHE 176  -5.809  -0.557  -2.403
  575    HZ   PHE 176           HZ       PHE 176  -5.974   1.352  -3.947
  576    H    GLN 177           HN       GLN 177 -12.504  -3.096  -5.509
  577    HA   GLN 177           HA       GLN 177 -13.753  -4.597  -3.496
  578   1HB   GLN 177          HB2       GLN 177 -14.645  -4.070  -6.331
  579   2HB   GLN 177          HB3       GLN 177 -15.671  -4.753  -5.081
  580   1HG   GLN 177          HG2       GLN 177 -15.395  -2.701  -3.771
  581   2HG   GLN 177          HG3       GLN 177 -14.406  -2.039  -5.071
  582   1HE2  GLN 177          HE21      GLN 177 -16.883  -0.984  -4.013
  583   2HE2  GLN 177          HE22      GLN 177 -18.003  -0.947  -5.330
  584    H    ARG 178           HN       ARG 178 -12.506  -5.550  -6.673
  585    HA   ARG 178           HA       ARG 178 -13.414  -8.205  -6.528
  586   1HB   ARG 178          HB2       ARG 178 -11.716  -8.628  -8.343
  587   2HB   ARG 178          HB3       ARG 178 -12.906  -7.374  -8.671
  588   1HG   ARG 178          HG2       ARG 178 -11.363  -5.681  -8.518
  589   2HG   ARG 178          HG3       ARG 178 -10.274  -6.622  -7.497
  590   1HD   ARG 178          HD2       ARG 178  -9.508  -7.900  -9.319
  591   2HD   ARG 178          HD3       ARG 178 -10.820  -7.345 -10.362
  592    HE   ARG 178           HE       ARG 178  -9.654  -5.053  -9.996
  593   1HH1  ARG 178          HH12      ARG 178  -8.066  -8.155 -10.367
  594   2HH1  ARG 178          HH11      ARG 178  -6.637  -7.470 -11.091
  595   1HH2  ARG 178          HH22      ARG 178  -7.782  -4.148 -10.965
  596   2HH2  ARG 178          HH21      ARG 178  -6.476  -5.209 -11.425
  597    H    LEU 179           HN       LEU 179 -11.102  -6.842  -4.613
  598    HA   LEU 179           HA       LEU 179  -9.683  -9.410  -4.281
  599   1HB   LEU 179          HB2       LEU 179  -8.502  -6.663  -3.831
  600   2HB   LEU 179          HB3       LEU 179  -7.664  -8.195  -3.699
  601    HG   LEU 179           HG       LEU 179  -8.753  -7.021  -6.262
  602   1HD1  LEU 179          HD11      LEU 179  -6.859  -5.752  -5.447
  603   2HD1  LEU 179          HD12      LEU 179  -5.931  -7.235  -5.226
  604   3HD1  LEU 179          HD13      LEU 179  -6.388  -6.714  -6.847
  605   1HD2  LEU 179          HD21      LEU 179  -8.753  -9.466  -6.269
  606   2HD2  LEU 179          HD22      LEU 179  -7.532  -8.819  -7.365
  607   3HD2  LEU 179          HD23      LEU 179  -7.055  -9.470  -5.798
  608    H    THR 180           HN       THR 180 -11.077  -6.576  -2.928
  609    HA   THR 180           HA       THR 180 -11.628  -7.795  -0.395
  610    HB   THR 180           HB       THR 180  -9.738  -5.420  -0.553
  611    HG1  THR 180           HG1      THR 180  -9.181  -7.944  -0.530
  612   1HG2  THR 180          HG21      THR 180 -11.010  -6.699   1.870
  613   2HG2  THR 180          HG22      THR 180 -11.417  -5.118   1.205
  614   3HG2  THR 180          HG23      THR 180  -9.816  -5.397   1.888
  615    HA   PRO 181           HA       PRO 181 -15.141  -5.665  -1.950
  616   1HB   PRO 181          HB2       PRO 181 -16.057  -5.909   0.880
  617   2HB   PRO 181          HB3       PRO 181 -16.888  -6.353  -0.616
  618   1HG   PRO 181          HG2       PRO 181 -15.789  -8.231   0.886
  619   2HG   PRO 181          HG3       PRO 181 -15.646  -8.304  -0.880
  620   1HD   PRO 181          HD2       PRO 181 -13.614  -7.491   1.156
  621   2HD   PRO 181          HD3       PRO 181 -13.399  -8.407  -0.349
  622    H    SER 182           HN       SER 182 -16.577  -3.865  -1.558
  623    HA   SER 182           HA       SER 182 -15.090  -1.567  -1.695
  624   1HB   SER 182          HB2       SER 182 -17.515  -2.099  -2.482
  625   2HB   SER 182          HB3       SER 182 -17.985  -1.433  -0.920
  626    HG   SER 182           HG       SER 182 -16.710   0.466  -1.530
  627    H    TYR 183           HN       TYR 183 -16.811  -2.837   1.095
  628    HA   TYR 183           HA       TYR 183 -16.785  -0.797   2.902
  629   1HB   TYR 183          HB2       TYR 183 -17.590  -3.075   3.350
  630   2HB   TYR 183          HB3       TYR 183 -15.921  -3.634   3.352
  631    HD1  TYR 183           HD1      TYR 183 -14.913  -3.952   5.399
  632    HD2  TYR 183           HD2      TYR 183 -18.030  -1.071   5.079
  633    HE1  TYR 183           HE1      TYR 183 -14.761  -3.528   7.816
  634    HE2  TYR 183           HE2      TYR 183 -17.883  -0.634   7.494
  635    HH   TYR 183           HH       TYR 183 -15.306  -1.739   9.424
  636    H    ASN 184           HN       ASN 184 -14.049  -2.946   2.160
  637    HA   ASN 184           HA       ASN 184 -12.304  -1.363   3.906
  638   1HB   ASN 184          HB2       ASN 184 -11.454  -3.775   2.319
  639   2HB   ASN 184          HB3       ASN 184 -10.740  -3.133   3.786
  640   1HD2  ASN 184          HD21      ASN 184 -11.682  -3.623   5.762
  641   2HD2  ASN 184          HD22      ASN 184 -12.854  -4.886   5.929
  642    H    ALA 185           HN       ALA 185 -13.026  -2.061   0.604
  643    HA   ALA 185           HA       ALA 185 -10.758  -1.142  -0.759
  644   1HB   ALA 185          HB1       ALA 185 -12.282  -0.712  -2.604
  645   2HB   ALA 185          HB2       ALA 185 -12.643  -2.259  -1.838
  646   3HB   ALA 185          HB3       ALA 185 -13.663  -0.857  -1.515
  647    H    ASP 186           HN       ASP 186 -13.723   0.548   0.261
  648    HA   ASP 186           HA       ASP 186 -12.817   3.208  -0.362
  649   1HB   ASP 186          HB2       ASP 186 -14.970   2.139   1.472
  650   2HB   ASP 186          HB3       ASP 186 -14.650   3.855   1.255
  651    H    ILE 187           HN       ILE 187 -12.662   1.493   2.790
  652    HA   ILE 187           HA       ILE 187 -11.412   3.468   4.189
  653    HB   ILE 187           HB       ILE 187 -10.481   0.585   4.172
  654   1HG1  ILE 187          HG12      ILE 187 -12.909   0.752   4.548
  655   2HG1  ILE 187          HG13      ILE 187 -12.067   0.238   6.006
  656   1HG2  ILE 187          HG21      ILE 187 -10.266   2.724   6.287
  657   2HG2  ILE 187          HG22      ILE 187  -9.755   1.046   6.459
  658   3HG2  ILE 187          HG23      ILE 187  -8.944   2.099   5.301
  659   1HD1  ILE 187          HD11      ILE 187 -12.221   2.514   6.879
  660   2HD1  ILE 187          HD12      ILE 187 -13.094   3.004   5.428
  661   3HD1  ILE 187          HD13      ILE 187 -13.806   1.825   6.530
  662    H    LEU 188           HN       LEU 188  -9.658   1.026   2.286
  663    HA   LEU 188           HA       LEU 188  -7.097   2.050   2.599
  664   1HB   LEU 188          HB2       LEU 188  -8.226   0.489   0.289
  665   2HB   LEU 188          HB3       LEU 188  -6.520   0.710   0.646
  666    HG   LEU 188           HG       LEU 188  -8.427  -0.607   2.571
  667   1HD1  LEU 188          HD11      LEU 188  -7.612  -2.746   1.786
  668   2HD1  LEU 188          HD12      LEU 188  -8.382  -1.870   0.464
  669   3HD1  LEU 188          HD13      LEU 188  -6.621  -1.949   0.562
  670   1HD2  LEU 188          HD21      LEU 188  -6.359  -1.499   3.533
  671   2HD2  LEU 188          HD22      LEU 188  -5.420  -0.598   2.344
  672   3HD2  LEU 188          HD23      LEU 188  -6.378   0.264   3.547
  673    H    LEU 189           HN       LEU 189  -9.461   2.629  -0.003
  674    HA   LEU 189           HA       LEU 189  -7.598   3.978  -1.697
  675   1HB   LEU 189          HB2       LEU 189  -9.684   2.720  -2.362
  676   2HB   LEU 189          HB3       LEU 189 -10.580   4.120  -1.824
  677    HG   LEU 189           HG       LEU 189  -9.541   5.516  -3.489
  678   1HD1  LEU 189          HD11      LEU 189  -7.915   4.637  -5.094
  679   2HD1  LEU 189          HD12      LEU 189  -7.300   4.541  -3.444
  680   3HD1  LEU 189          HD13      LEU 189  -7.907   3.089  -4.248
  681   1HD2  LEU 189          HD21      LEU 189 -10.358   4.466  -5.523
  682   2HD2  LEU 189          HD22      LEU 189 -10.402   2.900  -4.713
  683   3HD2  LEU 189          HD23      LEU 189 -11.475   4.196  -4.187
  684    H    SER 190           HN       SER 190 -10.436   5.136   0.151
  685    HA   SER 190           HA       SER 190 -10.042   7.831  -0.397
  686   1HB   SER 190          HB2       SER 190 -11.461   8.311   1.537
  687   2HB   SER 190          HB3       SER 190 -12.110   6.964   0.604
  688    HG   SER 190           HG       SER 190 -11.322   5.540   2.151
  689    H    HIS 191           HN       HIS 191  -8.545   5.813   2.063
  690    HA   HIS 191           HA       HIS 191  -7.211   7.964   3.365
  691   1HB   HIS 191          HB2       HIS 191  -6.879   4.994   3.370
  692   2HB   HIS 191          HB3       HIS 191  -5.676   6.014   4.132
  693    HD2  HIS 191           HD2      HIS 191  -7.173   8.000   5.928
  694    HE1  HIS 191           HE1      HIS 191  -9.712   4.825   7.091
  695    HE2  HIS 191           HE2      HIS 191  -8.794   7.094   7.747
  696    H    LEU 192           HN       LEU 192  -6.429   5.828   0.683
  697    HA   LEU 192           HA       LEU 192  -3.749   6.558   0.438
  698   1HB   LEU 192          HB2       LEU 192  -5.202   4.711  -0.758
  699   2HB   LEU 192          HB3       LEU 192  -5.391   5.943  -1.989
  700    HG   LEU 192           HG       LEU 192  -2.766   6.049  -1.819
  701   1HD1  LEU 192          HD11      LEU 192  -1.801   3.848  -1.389
  702   2HD1  LEU 192          HD12      LEU 192  -2.595   4.500   0.045
  703   3HD1  LEU 192          HD13      LEU 192  -3.387   3.246  -0.909
  704   1HD2  LEU 192          HD21      LEU 192  -4.227   3.840  -3.257
  705   2HD2  LEU 192          HD22      LEU 192  -4.035   5.499  -3.828
  706   3HD2  LEU 192          HD23      LEU 192  -2.622   4.460  -3.650
  707    H    HIS 193           HN       HIS 193  -6.715   7.838  -0.881
  708    HA   HIS 193           HA       HIS 193  -5.517   9.895  -2.474
  709   1HB   HIS 193          HB2       HIS 193  -8.340   9.342  -1.588
  710   2HB   HIS 193          HB3       HIS 193  -7.925  10.814  -2.458
  711    HD2  HIS 193           HD2      HIS 193  -7.084   7.015  -3.210
  712    HE1  HIS 193           HE1      HIS 193  -8.546   8.926  -6.688
  713    HE2  HIS 193           HE2      HIS 193  -7.484   6.818  -5.767
  714    H    TYR 194           HN       TYR 194  -5.903   9.537   0.836
  715    HA   TYR 194           HA       TYR 194  -6.198  12.404   1.335
  716   1HB   TYR 194          HB2       TYR 194  -7.565  11.193   2.835
  717   2HB   TYR 194          HB3       TYR 194  -6.351   9.943   3.069
  718    HD1  TYR 194           HD1      TYR 194  -7.125  13.494   3.806
  719    HD2  TYR 194           HD2      TYR 194  -4.840  10.068   4.873
  720    HE1  TYR 194           HE1      TYR 194  -6.385  14.635   5.852
  721    HE2  TYR 194           HE2      TYR 194  -4.096  11.201   6.925
  722    HH   TYR 194           HH       TYR 194  -3.816  13.563   7.723
  723    H    LEU 195           HN       LEU 195  -4.075   9.634   1.887
  724    HA   LEU 195           HA       LEU 195  -1.850  10.902   2.936
  725   1HB   LEU 195          HB2       LEU 195  -2.229   8.494   1.211
  726   2HB   LEU 195          HB3       LEU 195  -0.643   8.980   1.760
  727    HG   LEU 195           HG       LEU 195  -2.981   8.162   3.474
  728   1HD1  LEU 195          HD11      LEU 195  -1.523   6.284   4.080
  729   2HD1  LEU 195          HD12      LEU 195  -1.905   6.306   2.357
  730   3HD1  LEU 195          HD13      LEU 195  -0.326   6.855   2.916
  731   1HD2  LEU 195          HD21      LEU 195  -0.210   9.019   4.301
  732   2HD2  LEU 195          HD22      LEU 195  -1.701   9.923   4.571
  733   3HD2  LEU 195          HD23      LEU 195  -1.456   8.370   5.367
  734    H    ARG 196           HN       ARG 196  -2.886  10.441  -0.383
  735    HA   ARG 196           HA       ARG 196  -0.492  11.526  -1.615
  736   1HB   ARG 196          HB2       ARG 196  -1.953   9.700  -2.557
  737   2HB   ARG 196          HB3       ARG 196  -3.136  10.954  -2.920
  738   1HG   ARG 196          HG2       ARG 196  -1.644  12.038  -4.405
  739   2HG   ARG 196          HG3       ARG 196  -0.289  11.040  -3.877
  740   1HD   ARG 196          HD2       ARG 196  -1.514   9.058  -4.770
  741   2HD   ARG 196          HD3       ARG 196  -2.704  10.170  -5.447
  742    HE   ARG 196           HE       ARG 196   0.159  10.161  -6.198
  743   1HH1  ARG 196          HH12      ARG 196  -3.227  10.656  -6.973
  744   2HH1  ARG 196          HH11      ARG 196  -2.927  10.920  -8.669
  745   1HH2  ARG 196          HH22      ARG 196   0.552  10.537  -8.410
  746   2HH2  ARG 196          HH21      ARG 196  -0.776  10.880  -9.477
  747    H    GLU 197           HN       GLU 197  -3.054  12.997  -0.051
  748    HA   GLU 197           HA       GLU 197  -3.389  15.274  -1.701
  749   1HB   GLU 197          HB2       GLU 197  -3.752  14.805   1.247
  750   2HB   GLU 197          HB3       GLU 197  -3.961  16.404   0.544
  751   1HG   GLU 197          HG2       GLU 197  -5.481  13.926  -0.227
  752   2HG   GLU 197          HG3       GLU 197  -6.083  15.245   0.779
  753    H    THR 198           HN       THR 198  -0.813  14.181   0.266
  754    HA   THR 198           HA       THR 198   0.576  16.740  -0.150
  755    HB   THR 198           HB       THR 198   2.113  15.944   1.708
  756    HG1  THR 198           HG1      THR 198   0.824  13.716   1.482
  757   1HG2  THR 198          HG21      THR 198   0.593  16.637   3.500
  758   2HG2  THR 198          HG22      THR 198  -0.782  16.427   2.415
  759   3HG2  THR 198          HG23      THR 198   0.422  17.670   2.081
  760    HA   PRO 199           HA       PRO 199   2.468  13.587  -3.025
  761   1HB   PRO 199          HB2       PRO 199   3.359  15.549  -4.754
  762   2HB   PRO 199          HB3       PRO 199   1.808  14.716  -4.894
  763   1HG   PRO 199          HG2       PRO 199   2.424  17.396  -3.719
  764   2HG   PRO 199          HG3       PRO 199   1.048  16.899  -4.723
  765   1HD   PRO 199          HD2       PRO 199   0.810  17.197  -2.072
  766   2HD   PRO 199          HD3       PRO 199  -0.055  15.912  -2.940
  767    H    LEU 200           HN       LEU 200   4.597  13.016  -3.179
  768    HA   LEU 200           HA       LEU 200   6.416  14.357  -1.434
  769   1HB   LEU 200          HB2       LEU 200   7.928  12.592  -1.776
  770   2HB   LEU 200          HB3       LEU 200   6.347  11.862  -1.762
  771    HG   LEU 200           HG       LEU 200   7.518  10.695  -3.391
  772   1HD1  LEU 200          HD11      LEU 200   5.367  11.256  -4.258
  773   2HD1  LEU 200          HD12      LEU 200   5.964  12.801  -4.866
  774   3HD1  LEU 200          HD13      LEU 200   6.544  11.291  -5.570
  775   1HD2  LEU 200          HD21      LEU 200   8.542  13.297  -4.508
  776   2HD2  LEU 200          HD22      LEU 200   9.459  12.139  -3.543
  777   3HD2  LEU 200          HD23      LEU 200   8.881  11.689  -5.147
  778    HA   PRO 201           HA       PRO 201   7.963  17.380  -4.178
  779   1HB   PRO 201          HB2       PRO 201  10.513  17.118  -2.696
  780   2HB   PRO 201          HB3       PRO 201   9.475  18.531  -2.910
  781   1HG   PRO 201          HG2       PRO 201   9.586  17.262  -0.569
  782   2HG   PRO 201          HG3       PRO 201   8.055  17.917  -1.183
  783   1HD   PRO 201          HD2       PRO 201   9.051  15.092  -1.195
  784   2HD   PRO 201          HD3       PRO 201   7.426  15.709  -0.832
  Start of MODEL    6
    1   1H    GLY 105           H1       GLY 105  17.082 -16.981   7.416
    2   2H    GLY 105           H2       GLY 105  16.597 -16.861   5.799
    3   3H    GLY 105           H3       GLY 105  16.193 -15.633   6.897
    4   1HA   GLY 105          HA2       GLY 105  18.911 -16.339   5.933
    5   2HA   GLY 105          HA1       GLY 105  18.000 -14.891   5.524
    6    H    SER 106           HN       SER 106  20.635 -15.161   6.792
    7    HA   SER 106           HA       SER 106  20.463 -14.528   9.541
    8   1HB   SER 106          HB2       SER 106  22.661 -13.733   7.618
    9   2HB   SER 106          HB3       SER 106  22.801 -13.961   9.361
   10    HG   SER 106           HG       SER 106  22.648 -16.120   9.115
   11    H    HIS 107           HN       HIS 107  21.404 -12.383   6.856
   12    HA   HIS 107           HA       HIS 107  19.431 -10.432   7.538
   13   1HB   HIS 107          HB2       HIS 107  21.261  -9.984   9.235
   14   2HB   HIS 107          HB3       HIS 107  22.319  -9.580   7.886
   15    HD2  HIS 107           HD2      HIS 107  18.604  -8.350   8.167
   16    HE1  HIS 107           HE1      HIS 107  21.225  -5.035   8.342
   17    HE2  HIS 107           HE2      HIS 107  18.823  -5.766   8.000
   18    H    MET 108           HN       MET 108  19.593 -11.764   5.333
   19    HA   MET 108           HA       MET 108  20.972 -10.078   3.361
   20   1HB   MET 108          HB2       MET 108  19.797 -12.857   3.066
   21   2HB   MET 108          HB3       MET 108  20.533 -11.939   1.763
   22   1HG   MET 108          HG2       MET 108  22.151 -13.481   2.487
   23   2HG   MET 108          HG3       MET 108  22.649 -11.912   3.111
   24   1HE   MET 108          HE1       MET 108  24.337 -13.101   4.755
   25   2HE   MET 108          HE2       MET 108  23.884 -14.380   5.882
   26   3HE   MET 108          HE3       MET 108  23.842 -14.679   4.144
   27    H    GLU 109           HN       GLU 109  18.000 -11.990   3.562
   28    HA   GLU 109           HA       GLU 109  15.891 -11.646   2.796
   29   1HB   GLU 109          HB2       GLU 109  16.248  -8.793   3.680
   30   2HB   GLU 109          HB3       GLU 109  14.802  -9.789   3.757
   31   1HG   GLU 109          HG2       GLU 109  17.261  -9.974   5.471
   32   2HG   GLU 109          HG3       GLU 109  15.624  -9.560   5.967
   33    H    GLU 110           HN       GLU 110  17.254 -11.750   0.653
   34    HA   GLU 110           HA       GLU 110  16.898  -9.257  -0.875
   35   1HB   GLU 110          HB2       GLU 110  19.215 -10.068  -0.695
   36   2HB   GLU 110          HB3       GLU 110  18.731 -11.605  -1.395
   37   1HG   GLU 110          HG2       GLU 110  19.777 -10.337  -3.098
   38   2HG   GLU 110          HG3       GLU 110  18.051 -10.374  -3.450
   39    H    LYS 111           HN       LYS 111  15.250  -9.242  -2.238
   40    HA   LYS 111           HA       LYS 111  14.881 -11.427  -4.070
   41   1HB   LYS 111          HB2       LYS 111  13.474 -12.130  -2.129
   42   2HB   LYS 111          HB3       LYS 111  12.543 -10.648  -2.315
   43   1HG   LYS 111          HG2       LYS 111  11.972 -11.357  -4.622
   44   2HG   LYS 111          HG3       LYS 111  12.793 -12.887  -4.310
   45   1HD   LYS 111          HD2       LYS 111  11.233 -13.293  -2.434
   46   2HD   LYS 111          HD3       LYS 111  10.382 -11.804  -2.857
   47   1HE   LYS 111          HE2       LYS 111  10.708 -14.252  -4.593
   48   2HE   LYS 111          HE3       LYS 111   9.229 -13.718  -3.797
   49   1HZ   LYS 111          HZ1       LYS 111   9.205 -11.755  -5.177
   50   2HZ   LYS 111          HZ2       LYS 111   9.303 -13.128  -6.164
   51   3HZ   LYS 111          HZ3       LYS 111  10.681 -12.183  -5.893
   52    H    HIS 112           HN       HIS 112  12.917  -8.715  -2.845
   53    HA   HIS 112           HA       HIS 112  13.400  -7.131  -5.179
   54   1HB   HIS 112          HB2       HIS 112  11.682  -8.879  -5.920
   55   2HB   HIS 112          HB3       HIS 112  10.561  -8.103  -4.808
   56    HD2  HIS 112           HD2      HIS 112   9.187  -6.039  -5.857
   57    HE1  HIS 112           HE1      HIS 112  11.594  -5.487  -9.290
   58    HE2  HIS 112           HE2      HIS 112   9.596  -4.622  -7.993
   59    H    MET 113           HN       MET 113  13.660  -6.877  -2.335
   60    HA   MET 113           HA       MET 113  11.786  -4.650  -1.888
   61   1HB   MET 113          HB2       MET 113  11.992  -5.058   0.548
   62   2HB   MET 113          HB3       MET 113  11.248  -6.401  -0.303
   63   1HG   MET 113          HG2       MET 113  13.312  -7.655  -0.193
   64   2HG   MET 113          HG3       MET 113  14.125  -6.288   0.570
   65   1HE   MET 113          HE1       MET 113  10.469  -7.628   1.197
   66   2HE   MET 113          HE2       MET 113  11.418  -9.097   0.970
   67   3HE   MET 113          HE3       MET 113  10.737  -8.722   2.553
   68    HA   PRO 114           HA       PRO 114  15.726  -2.537  -1.691
   69   1HB   PRO 114          HB2       PRO 114  14.761  -0.209  -2.704
   70   2HB   PRO 114          HB3       PRO 114  15.176  -1.598  -3.709
   71   1HG   PRO 114          HG2       PRO 114  12.548  -0.490  -3.095
   72   2HG   PRO 114          HG3       PRO 114  13.003  -1.665  -4.337
   73   1HD   PRO 114          HD2       PRO 114  11.815  -2.131  -1.716
   74   2HD   PRO 114          HD3       PRO 114  12.036  -3.268  -3.062
   75    HA   PRO 115           HA       PRO 115  14.711  -0.861   2.430
   76   1HB   PRO 115          HB2       PRO 115  17.651  -0.419   2.226
   77   2HB   PRO 115          HB3       PRO 115  16.701  -1.089   3.557
   78   1HG   PRO 115          HG2       PRO 115  18.136  -2.684   1.984
   79   2HG   PRO 115          HG3       PRO 115  16.533  -3.177   2.560
   80   1HD   PRO 115          HD2       PRO 115  17.360  -2.195  -0.136
   81   2HD   PRO 115          HD3       PRO 115  16.155  -3.425   0.297
   82    HA   PRO 116           HA       PRO 116  16.200   3.447   1.044
   83   1HB   PRO 116          HB2       PRO 116  17.542   3.360  -1.502
   84   2HB   PRO 116          HB3       PRO 116  18.196   3.865   0.056
   85   1HG   PRO 116          HG2       PRO 116  18.996   1.613  -1.291
   86   2HG   PRO 116          HG3       PRO 116  19.131   1.826   0.462
   87   1HD   PRO 116          HD2       PRO 116  17.070   0.335  -1.113
   88   2HD   PRO 116          HD3       PRO 116  17.851  -0.101   0.424
   89    H    ASN 117           HN       ASN 117  14.041   3.759   0.675
   90    HA   ASN 117           HA       ASN 117  12.924   3.204  -1.939
   91   1HB   ASN 117          HB2       ASN 117  10.842   4.333  -0.799
   92   2HB   ASN 117          HB3       ASN 117  11.321   2.696  -0.357
   93   1HD2  ASN 117          HD21      ASN 117  10.295   2.881   1.641
   94   2HD2  ASN 117          HD22      ASN 117  10.946   3.838   2.926
   95    H    MET 118           HN       MET 118  12.456   6.129   0.040
   96    HA   MET 118           HA       MET 118  13.137   7.730  -2.327
   97   1HB   MET 118          HB2       MET 118  10.656   8.109  -0.637
   98   2HB   MET 118          HB3       MET 118  11.172   9.161  -1.946
   99   1HG   MET 118          HG2       MET 118  10.287   6.297  -2.168
  100   2HG   MET 118          HG3       MET 118   9.400   7.724  -2.702
  101   1HE   MET 118          HE1       MET 118  10.471   9.387  -4.682
  102   2HE   MET 118          HE2       MET 118  12.032   9.368  -3.860
  103   3HE   MET 118          HE3       MET 118  11.933   8.962  -5.573
  104    H    THR 119           HN       THR 119  12.983  10.173  -1.613
  105    HA   THR 119           HA       THR 119  14.892  10.358   0.586
  106    HB   THR 119           HB       THR 119  15.148  12.727  -0.470
  107    HG1  THR 119           HG1      THR 119  14.482  12.779  -2.659
  108   1HG2  THR 119          HG21      THR 119  16.712  11.837  -2.138
  109   2HG2  THR 119          HG22      THR 119  15.975  10.243  -1.980
  110   3HG2  THR 119          HG23      THR 119  16.838  10.955  -0.617
  111    H    THR 120           HN       THR 120  12.009  10.175   1.128
  112    HA   THR 120           HA       THR 120  11.892  12.375   2.995
  113    HB   THR 120           HB       THR 120   9.547  12.002   1.110
  114    HG1  THR 120           HG1      THR 120  11.831  13.508   0.842
  115   1HG2  THR 120          HG21      THR 120   8.937  12.802   3.328
  116   2HG2  THR 120          HG22      THR 120   8.749  14.093   2.143
  117   3HG2  THR 120          HG23      THR 120  10.144  14.084   3.223
  118    H    ASN 121           HN       ASN 121   9.384  10.312   1.619
  119    HA   ASN 121           HA       ASN 121   8.152   8.584   2.397
  120   1HB   ASN 121          HB2       ASN 121  10.192   8.257   4.599
  121   2HB   ASN 121          HB3       ASN 121   9.037   7.057   4.020
  122   1HD2  ASN 121          HD21      ASN 121  11.944   6.982   4.227
  123   2HD2  ASN 121          HD22      ASN 121  12.505   6.580   2.639
  124    H    GLU 122           HN       GLU 122   6.294   8.659   3.469
  125    HA   GLU 122           HA       GLU 122   5.832  10.673   5.410
  126   1HB   GLU 122          HB2       GLU 122   4.126   9.787   3.775
  127   2HB   GLU 122          HB3       GLU 122   4.023   8.347   4.782
  128   1HG   GLU 122          HG2       GLU 122   2.270  10.115   5.165
  129   2HG   GLU 122          HG3       GLU 122   3.136   9.547   6.594
  130    H    ARG 123           HN       ARG 123   5.696  10.513   7.611
  131    HA   ARG 123           HA       ARG 123   7.771   8.943   8.597
  132   1HB   ARG 123          HB2       ARG 123   5.657  10.383  10.193
  133   2HB   ARG 123          HB3       ARG 123   7.232   9.872  10.782
  134   1HG   ARG 123          HG2       ARG 123   6.711  11.917   8.633
  135   2HG   ARG 123          HG3       ARG 123   7.237  12.238  10.288
  136   1HD   ARG 123          HD2       ARG 123   9.306  11.006   9.875
  137   2HD   ARG 123          HD3       ARG 123   8.780  10.664   8.226
  138    HE   ARG 123           HE       ARG 123   9.104  13.447   9.125
  139   1HH1  ARG 123          HH12      ARG 123   9.996  10.814   7.007
  140   2HH1  ARG 123          HH11      ARG 123  10.955  11.801   5.958
  141   1HH2  ARG 123          HH22      ARG 123  10.351  14.777   7.728
  142   2HH2  ARG 123          HH21      ARG 123  11.164  14.057   6.360
  143    H    ARG 124           HN       ARG 124   4.279   8.475   9.124
  144    HA   ARG 124           HA       ARG 124   4.568   6.665  11.228
  145   1HB   ARG 124          HB2       ARG 124   2.184   5.947  10.614
  146   2HB   ARG 124          HB3       ARG 124   2.466   7.595  11.140
  147   1HG   ARG 124          HG2       ARG 124   2.380   6.906   8.228
  148   2HG   ARG 124          HG3       ARG 124   0.900   7.173   9.150
  149   1HD   ARG 124          HD2       ARG 124   2.149   9.356   9.911
  150   2HD   ARG 124          HD3       ARG 124   3.071   9.094   8.427
  151    HE   ARG 124           HE       ARG 124   0.400   8.889   7.729
  152   1HH1  ARG 124          HH12      ARG 124   2.478  11.360   9.115
  153   2HH1  ARG 124          HH11      ARG 124   1.562  12.670   8.439
  154   1HH2  ARG 124          HH22      ARG 124  -0.816  10.606   6.892
  155   2HH2  ARG 124          HH21      ARG 124  -0.319  12.247   7.176
  156    H    VAL 125           HN       VAL 125   4.778   6.025   7.794
  157    HA   VAL 125           HA       VAL 125   5.193   3.199   8.531
  158    HB   VAL 125           HB       VAL 125   4.377   3.414   5.772
  159   1HG1  VAL 125          HG11      VAL 125   2.859   1.620   6.440
  160   2HG1  VAL 125          HG12      VAL 125   4.501   1.349   7.025
  161   3HG1  VAL 125          HG13      VAL 125   3.255   1.922   8.132
  162   1HG2  VAL 125          HG21      VAL 125   3.022   5.307   6.573
  163   2HG2  VAL 125          HG22      VAL 125   2.036   3.933   6.071
  164   3HG2  VAL 125          HG23      VAL 125   2.293   4.250   7.787
  165    H    ILE 126           HN       ILE 126   6.726   5.791   7.728
  166    HA   ILE 126           HA       ILE 126   8.476   6.486   6.531
  167    HB   ILE 126           HB       ILE 126   9.358   4.640   8.105
  168   1HG1  ILE 126          HG12      ILE 126  11.662   4.941   7.114
  169   2HG1  ILE 126          HG13      ILE 126  10.877   5.736   5.752
  170   1HG2  ILE 126          HG21      ILE 126   9.826   3.281   5.455
  171   2HG2  ILE 126          HG22      ILE 126  10.570   2.817   6.988
  172   3HG2  ILE 126          HG23      ILE 126   8.822   2.689   6.780
  173   1HD1  ILE 126          HD11      ILE 126  10.662   6.642   8.611
  174   2HD1  ILE 126          HD12      ILE 126  11.766   7.321   7.414
  175   3HD1  ILE 126          HD13      ILE 126  10.022   7.470   7.193
  176    H    VAL 127           HN       VAL 127   6.328   5.833   4.924
  177    HA   VAL 127           HA       VAL 127   7.659   4.945   2.448
  178    HB   VAL 127           HB       VAL 127   5.418   4.151   1.684
  179   1HG1  VAL 127          HG11      VAL 127   6.400   2.873   4.236
  180   2HG1  VAL 127          HG12      VAL 127   5.399   2.099   3.008
  181   3HG1  VAL 127          HG13      VAL 127   7.052   2.582   2.624
  182   1HG2  VAL 127          HG21      VAL 127   4.656   4.817   4.519
  183   2HG2  VAL 127          HG22      VAL 127   3.942   5.442   3.036
  184   3HG2  VAL 127          HG23      VAL 127   3.707   3.750   3.482
  185    HA   PRO 128           HA       PRO 128   7.219   9.053   1.037
  186   1HB   PRO 128          HB2       PRO 128   6.481   8.512  -1.616
  187   2HB   PRO 128          HB3       PRO 128   8.119   8.712  -0.998
  188   1HG   PRO 128          HG2       PRO 128   6.591   6.232  -1.563
  189   2HG   PRO 128          HG3       PRO 128   8.327   6.545  -1.716
  190   1HD   PRO 128          HD2       PRO 128   7.363   5.093   0.316
  191   2HD   PRO 128          HD3       PRO 128   8.729   6.204   0.543
  192    H    ALA 129           HN       ALA 129   5.745  10.515   1.109
  193    HA   ALA 129           HA       ALA 129   3.129  10.312   1.632
  194   1HB   ALA 129          HB1       ALA 129   4.390  12.386   1.749
  195   2HB   ALA 129          HB2       ALA 129   4.363  12.508  -0.010
  196   3HB   ALA 129          HB3       ALA 129   2.859  12.613   0.904
  197    H    ASP 130           HN       ASP 130   4.482  10.089  -1.613
  198    HA   ASP 130           HA       ASP 130   1.780   9.644  -2.730
  199   1HB   ASP 130          HB2       ASP 130   3.108   9.233  -4.873
  200   2HB   ASP 130          HB3       ASP 130   3.059  10.870  -4.274
  201    HA   PRO 131           HA       PRO 131   2.303   5.300  -2.017
  202   1HB   PRO 131          HB2       PRO 131  -0.439   5.328  -3.087
  203   2HB   PRO 131          HB3       PRO 131   0.153   4.717  -1.538
  204   1HG   PRO 131          HG2       PRO 131  -1.322   6.941  -1.665
  205   2HG   PRO 131          HG3       PRO 131   0.032   6.797  -0.523
  206   1HD   PRO 131          HD2       PRO 131  -0.043   8.161  -3.194
  207   2HD   PRO 131          HD3       PRO 131   0.613   8.761  -1.652
  208    H    THR 132           HN       THR 132   2.960   6.942  -4.525
  209    HA   THR 132           HA       THR 132   2.293   5.029  -6.588
  210    HB   THR 132           HB       THR 132   3.557   6.675  -8.009
  211    HG1  THR 132           HG1      THR 132   4.466   8.376  -7.099
  212   1HG2  THR 132          HG21      THR 132   1.810   8.400  -7.979
  213   2HG2  THR 132          HG22      THR 132   1.243   7.791  -6.425
  214   3HG2  THR 132          HG23      THR 132   1.118   6.782  -7.866
  215    H    LEU 133           HN       LEU 133   5.026   6.331  -4.800
  216    HA   LEU 133           HA       LEU 133   6.872   4.500  -6.129
  217   1HB   LEU 133          HB2       LEU 133   7.619   6.535  -4.062
  218   2HB   LEU 133          HB3       LEU 133   8.555   5.966  -5.431
  219    HG   LEU 133           HG       LEU 133   6.169   7.839  -5.614
  220   1HD1  LEU 133          HD11      LEU 133   8.080   8.866  -4.512
  221   2HD1  LEU 133          HD12      LEU 133   9.125   8.388  -5.849
  222   3HD1  LEU 133          HD13      LEU 133   7.824   9.548  -6.120
  223   1HD2  LEU 133          HD21      LEU 133   8.165   6.924  -7.699
  224   2HD2  LEU 133          HD22      LEU 133   6.462   6.477  -7.623
  225   3HD2  LEU 133          HD23      LEU 133   6.922   8.153  -7.932
  226    H    TRP 134           HN       TRP 134   4.919   4.265  -3.444
  227    HA   TRP 134           HA       TRP 134   6.561   2.853  -1.739
  228   1HB   TRP 134          HB2       TRP 134   3.705   2.313  -2.541
  229   2HB   TRP 134          HB3       TRP 134   4.508   1.501  -1.206
  230    HD1  TRP 134           HD1      TRP 134   5.808   4.756  -0.873
  231    HE1  TRP 134           HE1      TRP 134   4.433   6.283   0.652
  232    HE3  TRP 134           HE3      TRP 134   1.554   1.962  -0.687
  233    HZ2  TRP 134           HZ2      TRP 134   1.848   6.253   1.833
  234    HZ3  TRP 134           HZ3      TRP 134  -0.326   2.768   0.678
  235    HH2  TRP 134           HH2      TRP 134  -0.181   4.868   1.912
  236    H    SER 135           HN       SER 135   7.703   1.004  -1.999
  237    HA   SER 135           HA       SER 135   7.612  -0.380  -4.486
  238   1HB   SER 135          HB2       SER 135   9.714  -0.147  -3.278
  239   2HB   SER 135          HB3       SER 135   9.055  -1.035  -1.906
  240    HG   SER 135           HG       SER 135   9.675  -2.778  -2.859
  241    H    THR 136           HN       THR 136   7.311  -2.606  -4.673
  242    HA   THR 136           HA       THR 136   4.987  -3.854  -4.062
  243    HB   THR 136           HB       THR 136   6.288  -6.092  -3.864
  244    HG1  THR 136           HG1      THR 136   8.440  -4.687  -4.983
  245   1HG2  THR 136          HG21      THR 136   6.455  -4.294  -6.280
  246   2HG2  THR 136          HG22      THR 136   5.204  -5.483  -5.903
  247   3HG2  THR 136          HG23      THR 136   6.836  -6.018  -6.310
  248    H    ASP 137           HN       ASP 137   7.787  -3.764  -1.884
  249    HA   ASP 137           HA       ASP 137   6.453  -5.267   0.179
  250   1HB   ASP 137          HB2       ASP 137   8.462  -4.695   1.551
  251   2HB   ASP 137          HB3       ASP 137   8.848  -5.524   0.041
  252    H    HIS 138           HN       HIS 138   7.281  -1.764  -0.384
  253    HA   HIS 138           HA       HIS 138   6.335  -0.946   2.113
  254   1HB   HIS 138          HB2       HIS 138   6.633   0.567  -0.476
  255   2HB   HIS 138          HB3       HIS 138   6.325   1.303   1.082
  256    HD2  HIS 138           HD2      HIS 138   8.484   0.779   2.996
  257    HE1  HIS 138           HE1      HIS 138  11.307   0.553  -0.151
  258    HE2  HIS 138           HE2      HIS 138  10.994   0.509   2.362
  259    H    VAL 139           HN       VAL 139   4.480  -2.099  -0.530
  260    HA   VAL 139           HA       VAL 139   2.368  -0.141  -0.069
  261    HB   VAL 139           HB       VAL 139   2.843  -2.181  -2.217
  262   1HG1  VAL 139          HG11      VAL 139   0.073  -1.315  -1.356
  263   2HG1  VAL 139          HG12      VAL 139   0.449  -2.123  -2.879
  264   3HG1  VAL 139          HG13      VAL 139   0.707  -2.962  -1.348
  265   1HG2  VAL 139          HG21      VAL 139   2.002  -0.411  -3.637
  266   2HG2  VAL 139          HG22      VAL 139   1.531   0.527  -2.219
  267   3HG2  VAL 139          HG23      VAL 139   3.239   0.226  -2.550
  268    H    ARG 140           HN       ARG 140   3.384  -3.409   0.187
  269    HA   ARG 140           HA       ARG 140   1.086  -4.546   1.373
  270   1HB   ARG 140          HB2       ARG 140   3.199  -5.657   0.301
  271   2HB   ARG 140          HB3       ARG 140   3.892  -5.482   1.909
  272   1HG   ARG 140          HG2       ARG 140   1.539  -6.588   2.523
  273   2HG   ARG 140          HG3       ARG 140   1.799  -7.283   0.933
  274   1HD   ARG 140          HD2       ARG 140   3.694  -7.415   3.270
  275   2HD   ARG 140          HD3       ARG 140   2.695  -8.732   2.655
  276    HE   ARG 140           HE       ARG 140   4.225  -7.899   0.519
  277   1HH1  ARG 140          HH12      ARG 140   4.868  -9.149   3.729
  278   2HH1  ARG 140          HH11      ARG 140   6.372  -9.890   3.272
  279   1HH2  ARG 140          HH22      ARG 140   6.222  -8.879  -0.075
  280   2HH2  ARG 140          HH21      ARG 140   7.142  -9.741   1.124
  281    H    GLN 141           HN       GLN 141   3.764  -2.662   2.482
  282    HA   GLN 141           HA       GLN 141   3.697  -3.370   5.191
  283   1HB   GLN 141          HB2       GLN 141   5.677  -2.341   4.471
  284   2HB   GLN 141          HB3       GLN 141   4.812  -1.038   3.674
  285   1HG   GLN 141          HG2       GLN 141   4.382   0.079   5.677
  286   2HG   GLN 141          HG3       GLN 141   4.742  -1.355   6.646
  287   1HE2  GLN 141          HE21      GLN 141   6.841  -0.664   4.009
  288   2HE2  GLN 141          HE22      GLN 141   8.158  -0.043   4.937
  289    H    TRP 142           HN       TRP 142   2.610  -0.238   3.776
  290    HA   TRP 142           HA       TRP 142   1.025   0.493   5.929
  291   1HB   TRP 142          HB2       TRP 142   1.508   2.021   4.036
  292   2HB   TRP 142          HB3       TRP 142   0.426   1.081   3.015
  293    HD1  TRP 142           HD1      TRP 142   0.330   3.388   6.096
  294    HE1  TRP 142           HE1      TRP 142  -2.072   4.244   6.419
  295    HE3  TRP 142           HE3      TRP 142  -1.988   0.726   2.393
  296    HZ2  TRP 142           HZ2      TRP 142  -4.604   3.843   5.292
  297    HZ3  TRP 142           HZ3      TRP 142  -4.398   1.044   2.052
  298    HH2  TRP 142           HH2      TRP 142  -5.684   2.580   3.462
  299    H    LEU 143           HN       LEU 143  -0.006  -1.026   2.966
  300    HA   LEU 143           HA       LEU 143  -2.576  -1.515   3.415
  301   1HB   LEU 143          HB2       LEU 143  -1.396  -2.185   1.398
  302   2HB   LEU 143          HB3       LEU 143  -0.620  -3.492   2.263
  303    HG   LEU 143           HG       LEU 143  -3.141  -4.214   2.641
  304   1HD1  LEU 143          HD11      LEU 143  -3.162  -2.645   0.073
  305   2HD1  LEU 143          HD12      LEU 143  -4.401  -3.813   0.553
  306   3HD1  LEU 143          HD13      LEU 143  -4.146  -2.353   1.512
  307   1HD2  LEU 143          HD21      LEU 143  -1.603  -4.698   0.102
  308   2HD2  LEU 143          HD22      LEU 143  -1.345  -5.534   1.635
  309   3HD2  LEU 143          HD23      LEU 143  -2.872  -5.725   0.773
  310    H    GLU 144           HN       GLU 144  -0.013  -3.217   4.980
  311    HA   GLU 144           HA       GLU 144  -1.833  -5.077   6.331
  312   1HB   GLU 144          HB2       GLU 144   1.138  -4.751   6.363
  313   2HB   GLU 144          HB3       GLU 144   0.359  -5.573   7.710
  314   1HG   GLU 144          HG2       GLU 144  -0.730  -7.086   6.070
  315   2HG   GLU 144          HG3       GLU 144   0.234  -6.326   4.808
  316    H    TRP 145           HN       TRP 145   0.406  -2.530   7.321
  317    HA   TRP 145           HA       TRP 145  -0.503  -2.099   9.916
  318   1HB   TRP 145          HB2       TRP 145   1.383  -0.924   9.640
  319   2HB   TRP 145          HB3       TRP 145   1.123  -0.734   7.917
  320    HD1  TRP 145           HD1      TRP 145   0.709   1.615   7.125
  321    HE1  TRP 145           HE1      TRP 145   0.155   3.856   8.215
  322    HE3  TRP 145           HE3      TRP 145  -0.096  -0.001  11.878
  323    HZ2  TRP 145           HZ2      TRP 145  -0.575   4.831  10.775
  324    HZ3  TRP 145           HZ3      TRP 145  -0.718   1.643  13.601
  325    HH2  TRP 145           HH2      TRP 145  -0.952   4.012  13.061
  326    H    ALA 146           HN       ALA 146  -2.309  -1.827   7.201
  327    HA   ALA 146           HA       ALA 146  -3.932   0.472   8.067
  328   1HB   ALA 146          HB1       ALA 146  -5.076   0.217   5.920
  329   2HB   ALA 146          HB2       ALA 146  -3.335   0.406   5.714
  330   3HB   ALA 146          HB3       ALA 146  -4.073  -1.187   5.552
  331    H    VAL 147           HN       VAL 147  -4.313  -2.855   6.932
  332    HA   VAL 147           HA       VAL 147  -6.740  -3.500   8.051
  333    HB   VAL 147           HB       VAL 147  -4.274  -5.231   7.839
  334   1HG1  VAL 147          HG11      VAL 147  -5.780  -7.152   8.015
  335   2HG1  VAL 147          HG12      VAL 147  -5.817  -6.179   9.484
  336   3HG1  VAL 147          HG13      VAL 147  -7.137  -6.066   8.319
  337   1HG2  VAL 147          HG21      VAL 147  -5.414  -6.083   5.824
  338   2HG2  VAL 147          HG22      VAL 147  -6.696  -4.896   6.072
  339   3HG2  VAL 147          HG23      VAL 147  -5.054  -4.359   5.720
  340    H    LYS 148           HN       LYS 148  -3.596  -3.191   9.525
  341    HA   LYS 148           HA       LYS 148  -4.230  -4.275  12.065
  342   1HB   LYS 148          HB2       LYS 148  -2.023  -2.405  11.200
  343   2HB   LYS 148          HB3       LYS 148  -2.149  -3.093  12.810
  344   1HG   LYS 148          HG2       LYS 148  -1.802  -4.635  10.248
  345   2HG   LYS 148          HG3       LYS 148  -0.552  -4.314  11.451
  346   1HD   LYS 148          HD2       LYS 148  -1.868  -5.567  13.117
  347   2HD   LYS 148          HD3       LYS 148  -3.068  -5.926  11.873
  348   1HE   LYS 148          HE2       LYS 148  -1.364  -7.099  10.567
  349   2HE   LYS 148          HE3       LYS 148  -0.164  -6.738  11.808
  350   1HZ   LYS 148          HZ1       LYS 148  -2.589  -8.415  12.134
  351   2HZ   LYS 148          HZ2       LYS 148  -1.527  -8.006  13.390
  352   3HZ   LYS 148          HZ3       LYS 148  -0.982  -8.961  12.099
  353    H    GLU 149           HN       GLU 149  -4.058  -0.753  10.923
  354    HA   GLU 149           HA       GLU 149  -4.983   0.075  13.399
  355   1HB   GLU 149          HB2       GLU 149  -3.496   1.317  11.868
  356   2HB   GLU 149          HB3       GLU 149  -4.817   1.499  10.711
  357   1HG   GLU 149          HG2       GLU 149  -4.470   3.521  11.997
  358   2HG   GLU 149          HG3       GLU 149  -6.049   2.825  12.347
  359    H    TYR 150           HN       TYR 150  -6.850  -0.999  10.589
  360    HA   TYR 150           HA       TYR 150  -8.906   0.945  11.336
  361   1HB   TYR 150          HB2       TYR 150  -8.299  -0.234   8.622
  362   2HB   TYR 150          HB3       TYR 150  -9.656   0.821   8.980
  363    HD1  TYR 150           HD1      TYR 150  -8.459   2.874  10.681
  364    HD2  TYR 150           HD2      TYR 150  -6.884   0.959   7.224
  365    HE1  TYR 150           HE1      TYR 150  -7.051   4.843  10.240
  366    HE2  TYR 150           HE2      TYR 150  -5.479   2.924   6.770
  367    HH   TYR 150           HH       TYR 150  -4.928   5.349   9.024
  368    H    GLY 151           HN       GLY 151  -8.104  -2.272  11.361
  369   1HA   GLY 151          HA1       GLY 151  -9.322  -4.077  12.138
  370   2HA   GLY 151          HA2       GLY 151 -10.712  -3.012  12.288
  371    H    LEU 152           HN       LEU 152  -8.761  -3.971   9.485
  372    HA   LEU 152           HA       LEU 152 -11.190  -4.231   7.918
  373   1HB   LEU 152          HB2       LEU 152  -8.314  -4.570   7.078
  374   2HB   LEU 152          HB3       LEU 152  -9.694  -4.388   6.013
  375    HG   LEU 152           HG       LEU 152  -8.647  -2.276   7.902
  376   1HD1  LEU 152          HD11      LEU 152  -8.504  -2.481   4.900
  377   2HD1  LEU 152          HD12      LEU 152  -7.969  -1.108   5.869
  378   3HD1  LEU 152          HD13      LEU 152  -7.154  -2.664   6.021
  379   1HD2  LEU 152          HD21      LEU 152 -11.070  -2.143   7.579
  380   2HD2  LEU 152          HD22      LEU 152 -10.231  -0.790   6.817
  381   3HD2  LEU 152          HD23      LEU 152 -10.828  -2.124   5.832
  382    HA   PRO 153           HA       PRO 153 -10.996  -8.673   8.402
  383   1HB   PRO 153          HB2       PRO 153 -13.571  -9.128   7.769
  384   2HB   PRO 153          HB3       PRO 153 -13.084  -8.412   9.308
  385   1HG   PRO 153          HG2       PRO 153 -14.387  -7.156   6.985
  386   2HG   PRO 153          HG3       PRO 153 -14.383  -6.653   8.680
  387   1HD   PRO 153          HD2       PRO 153 -12.773  -5.656   6.523
  388   2HD   PRO 153          HD3       PRO 153 -12.776  -5.134   8.218
  389    H    ASP 154           HN       ASP 154 -12.860  -7.453   5.605
  390    HA   ASP 154           HA       ASP 154 -12.526  -9.758   4.047
  391   1HB   ASP 154          HB2       ASP 154 -13.200  -6.943   3.169
  392   2HB   ASP 154          HB3       ASP 154 -13.424  -8.390   2.197
  393    H    VAL 155           HN       VAL 155 -10.108  -7.626   4.789
  394    HA   VAL 155           HA       VAL 155  -9.005  -7.381   2.122
  395    HB   VAL 155           HB       VAL 155  -7.716  -6.574   4.730
  396   1HG1  VAL 155          HG11      VAL 155  -7.126  -5.794   1.875
  397   2HG1  VAL 155          HG12      VAL 155  -6.329  -5.140   3.306
  398   3HG1  VAL 155          HG13      VAL 155  -6.139  -6.842   2.891
  399   1HG2  VAL 155          HG21      VAL 155  -9.814  -5.394   4.442
  400   2HG2  VAL 155          HG22      VAL 155  -8.459  -4.301   4.165
  401   3HG2  VAL 155          HG23      VAL 155  -9.363  -4.950   2.796
  402    H    ASN 156           HN       ASN 156  -7.929  -8.958   1.215
  403    HA   ASN 156           HA       ASN 156  -6.348 -10.794   2.888
  404   1HB   ASN 156          HB2       ASN 156  -8.136 -11.560   1.118
  405   2HB   ASN 156          HB3       ASN 156  -6.861 -11.211  -0.044
  406   1HD2  ASN 156          HD21      ASN 156  -6.365 -12.434   3.200
  407   2HD2  ASN 156          HD22      ASN 156  -5.762 -13.983   2.719
  408    H    ILE 157           HN       ILE 157  -4.194 -10.299   2.997
  409    HA   ILE 157           HA       ILE 157  -3.523  -8.016   1.452
  410    HB   ILE 157           HB       ILE 157  -1.822  -9.485   3.492
  411   1HG1  ILE 157          HG12      ILE 157  -3.881  -8.486   4.411
  412   2HG1  ILE 157          HG13      ILE 157  -2.423  -7.751   5.067
  413   1HG2  ILE 157          HG21      ILE 157  -1.312  -6.705   2.504
  414   2HG2  ILE 157          HG22      ILE 157  -0.290  -7.699   3.536
  415   3HG2  ILE 157          HG23      ILE 157  -0.517  -8.132   1.844
  416   1HD1  ILE 157          HD11      ILE 157  -4.142  -6.607   2.890
  417   2HD1  ILE 157          HD12      ILE 157  -4.113  -6.089   4.577
  418   3HD1  ILE 157          HD13      ILE 157  -2.687  -5.870   3.563
  419    H    LEU 158           HN       LEU 158  -2.416 -11.330   1.514
  420    HA   LEU 158           HA       LEU 158  -0.098 -11.071  -0.005
  421   1HB   LEU 158          HB2       LEU 158  -0.377 -13.464  -0.537
  422   2HB   LEU 158          HB3       LEU 158  -0.500 -13.086   1.168
  423    HG   LEU 158           HG       LEU 158  -3.000 -13.364  -0.463
  424   1HD1  LEU 158          HD11      LEU 158  -1.652 -15.357  -0.949
  425   2HD1  LEU 158          HD12      LEU 158  -1.447 -15.633   0.782
  426   3HD1  LEU 158          HD13      LEU 158  -3.049 -15.742   0.055
  427   1HD2  LEU 158          HD21      LEU 158  -2.302 -13.935   2.417
  428   2HD2  LEU 158          HD22      LEU 158  -3.155 -12.509   1.824
  429   3HD2  LEU 158          HD23      LEU 158  -3.901 -14.103   1.691
  430    H    LEU 159           HN       LEU 159  -2.887  -9.928  -1.173
  431    HA   LEU 159           HA       LEU 159  -2.672 -11.131  -3.827
  432   1HB   LEU 159          HB2       LEU 159  -4.817  -9.563  -2.428
  433   2HB   LEU 159          HB3       LEU 159  -4.761  -9.593  -4.177
  434    HG   LEU 159           HG       LEU 159  -5.065 -12.010  -4.183
  435   1HD1  LEU 159          HD11      LEU 159  -3.891 -12.569  -2.135
  436   2HD1  LEU 159          HD12      LEU 159  -5.144 -11.774  -1.181
  437   3HD1  LEU 159          HD13      LEU 159  -5.528 -13.225  -2.110
  438   1HD2  LEU 159          HD21      LEU 159  -7.339 -12.082  -3.458
  439   2HD2  LEU 159          HD22      LEU 159  -7.083 -10.739  -2.342
  440   3HD2  LEU 159          HD23      LEU 159  -7.024 -10.463  -4.088
  441    H    PHE 160           HN       PHE 160  -2.162  -8.290  -1.909
  442    HA   PHE 160           HA       PHE 160  -1.823  -6.582  -4.219
  443   1HB   PHE 160          HB2       PHE 160  -1.654  -5.966  -1.263
  444   2HB   PHE 160          HB3       PHE 160  -1.454  -4.770  -2.534
  445    HD1  PHE 160           HD1      PHE 160  -3.861  -7.093  -0.971
  446    HD2  PHE 160           HD2      PHE 160  -3.311  -3.787  -3.596
  447    HE1  PHE 160           HE1      PHE 160  -6.287  -6.694  -0.970
  448    HE2  PHE 160           HE2      PHE 160  -5.739  -3.385  -3.600
  449    HZ   PHE 160           HZ       PHE 160  -7.228  -4.840  -2.287
  450    H    GLN 161           HN       GLN 161  -0.041  -8.571  -2.223
  451    HA   GLN 161           HA       GLN 161   2.450  -7.582  -1.847
  452   1HB   GLN 161          HB2       GLN 161   1.652 -10.324  -2.762
  453   2HB   GLN 161          HB3       GLN 161   3.303  -9.917  -2.319
  454   1HG   GLN 161          HG2       GLN 161   2.457  -9.190  -0.096
  455   2HG   GLN 161          HG3       GLN 161   0.874  -9.813  -0.556
  456   1HE2  GLN 161          HE21      GLN 161   2.646 -10.633   1.609
  457   2HE2  GLN 161          HE22      GLN 161   2.963 -12.311   1.362
  458    H    ASN 162           HN       ASN 162   1.072  -8.238  -4.980
  459    HA   ASN 162           HA       ASN 162   3.717  -8.050  -6.262
  460   1HB   ASN 162          HB2       ASN 162   1.022  -8.903  -7.355
  461   2HB   ASN 162          HB3       ASN 162   2.461  -8.711  -8.344
  462   1HD2  ASN 162          HD21      ASN 162   2.577 -10.004  -5.106
  463   2HD2  ASN 162          HD22      ASN 162   2.927 -11.639  -5.553
  464    H    ILE 163           HN       ILE 163   1.327  -6.169  -5.216
  465    HA   ILE 163           HA       ILE 163   1.363  -4.270  -7.446
  466    HB   ILE 163           HB       ILE 163  -0.360  -4.552  -4.964
  467   1HG1  ILE 163          HG12      ILE 163  -1.081  -4.628  -7.893
  468   2HG1  ILE 163          HG13      ILE 163  -0.943  -6.021  -6.823
  469   1HG2  ILE 163          HG21      ILE 163  -1.548  -2.570  -5.454
  470   2HG2  ILE 163          HG22      ILE 163   0.166  -2.157  -5.433
  471   3HG2  ILE 163          HG23      ILE 163  -0.682  -2.343  -6.969
  472   1HD1  ILE 163          HD11      ILE 163  -3.263  -5.372  -7.190
  473   2HD1  ILE 163          HD12      ILE 163  -2.799  -5.206  -5.495
  474   3HD1  ILE 163          HD13      ILE 163  -2.918  -3.776  -6.521
  475    H    ASP 164           HN       ASP 164   2.809  -2.862  -7.502
  476    HA   ASP 164           HA       ASP 164   4.072  -1.810  -5.106
  477   1HB   ASP 164          HB2       ASP 164   4.412  -0.828  -7.953
  478   2HB   ASP 164          HB3       ASP 164   5.466  -0.512  -6.587
  479    H    GLY 165           HN       GLY 165   4.328   0.768  -5.291
  480   1HA   GLY 165          HA1       GLY 165   1.801   1.923  -4.874
  481   2HA   GLY 165          HA2       GLY 165   3.290   2.812  -5.156
  482    H    LYS 166           HN       LYS 166   3.628   1.396  -7.760
  483    HA   LYS 166           HA       LYS 166   2.362   3.353  -9.425
  484   1HB   LYS 166          HB2       LYS 166   3.368   2.046 -11.267
  485   2HB   LYS 166          HB3       LYS 166   4.551   2.338  -9.998
  486   1HG   LYS 166          HG2       LYS 166   4.959   0.151 -10.176
  487   2HG   LYS 166          HG3       LYS 166   3.509   0.005  -9.174
  488   1HD   LYS 166          HD2       LYS 166   2.156  -0.239 -11.226
  489   2HD   LYS 166          HD3       LYS 166   3.643  -0.219 -12.180
  490   1HE   LYS 166          HE2       LYS 166   4.435  -2.201 -11.080
  491   2HE   LYS 166          HE3       LYS 166   3.069  -2.180  -9.970
  492   1HZ   LYS 166          HZ1       LYS 166   2.986  -2.702 -12.895
  493   2HZ   LYS 166          HZ2       LYS 166   1.602  -2.502 -11.930
  494   3HZ   LYS 166          HZ3       LYS 166   2.656  -3.801 -11.645
  495    H    GLU 167           HN       GLU 167   1.570   0.250  -8.234
  496    HA   GLU 167           HA       GLU 167  -0.376  -0.191 -10.329
  497   1HB   GLU 167          HB2       GLU 167   1.193  -1.991  -9.551
  498   2HB   GLU 167          HB3       GLU 167   0.361  -1.979  -8.008
  499   1HG   GLU 167          HG2       GLU 167  -0.781  -3.665  -8.960
  500   2HG   GLU 167          HG3       GLU 167  -1.734  -2.338  -9.625
  501    H    LEU 168           HN       LEU 168  -0.070   0.645  -6.948
  502    HA   LEU 168           HA       LEU 168  -2.895   0.335  -6.394
  503   1HB   LEU 168          HB2       LEU 168  -0.916  -0.126  -4.783
  504   2HB   LEU 168          HB3       LEU 168  -0.816   1.616  -4.621
  505    HG   LEU 168           HG       LEU 168  -3.237   1.556  -3.865
  506   1HD1  LEU 168          HD11      LEU 168  -4.008  -0.598  -2.947
  507   2HD1  LEU 168          HD12      LEU 168  -3.834  -0.637  -4.703
  508   3HD1  LEU 168          HD13      LEU 168  -2.611  -1.389  -3.678
  509   1HD2  LEU 168          HD21      LEU 168  -2.644   0.928  -1.586
  510   2HD2  LEU 168          HD22      LEU 168  -1.189   0.123  -2.175
  511   3HD2  LEU 168          HD23      LEU 168  -1.354   1.872  -2.332
  512    H    CYS 169           HN       CYS 169  -0.723   2.858  -7.288
  513    HA   CYS 169           HA       CYS 169  -2.473   5.058  -6.735
  514   1HB   CYS 169          HB2       CYS 169  -0.215   5.608  -7.057
  515   2HB   CYS 169          HB3       CYS 169  -0.116   4.664  -8.552
  516    HG   CYS 169           HG       CYS 169  -2.353   6.684  -9.371
  517    H    LYS 170           HN       LYS 170  -2.407   2.526  -9.157
  518    HA   LYS 170           HA       LYS 170  -4.157   3.993 -11.056
  519   1HB   LYS 170          HB2       LYS 170  -2.732   1.337 -11.129
  520   2HB   LYS 170          HB3       LYS 170  -3.848   1.908 -12.356
  521   1HG   LYS 170          HG2       LYS 170  -2.340   3.773 -12.846
  522   2HG   LYS 170          HG3       LYS 170  -1.210   3.161 -11.631
  523   1HD   LYS 170          HD2       LYS 170  -0.953   1.094 -12.858
  524   2HD   LYS 170          HD3       LYS 170  -2.166   1.606 -14.032
  525   1HE   LYS 170          HE2       LYS 170  -0.694   3.510 -14.636
  526   2HE   LYS 170          HE3       LYS 170   0.535   2.851 -13.553
  527   1HZ   LYS 170          HZ1       LYS 170  -0.631   1.367 -15.845
  528   2HZ   LYS 170          HZ2       LYS 170   0.677   0.886 -14.875
  529   3HZ   LYS 170          HZ3       LYS 170   0.832   2.223 -15.910
  530    H    MET 171           HN       MET 171  -4.773   2.646  -8.215
  531    HA   MET 171           HA       MET 171  -6.752   0.740  -9.193
  532   1HB   MET 171          HB2       MET 171  -6.083   1.489  -6.355
  533   2HB   MET 171          HB3       MET 171  -7.144   0.180  -6.856
  534   1HG   MET 171          HG2       MET 171  -4.253   0.319  -7.622
  535   2HG   MET 171          HG3       MET 171  -4.833  -0.425  -6.142
  536   1HE   MET 171          HE1       MET 171  -6.589  -3.605  -7.219
  537   2HE   MET 171          HE2       MET 171  -5.684  -2.786  -5.945
  538   3HE   MET 171          HE3       MET 171  -7.194  -2.095  -6.539
  539    H    THR 172           HN       THR 172  -8.865   1.065  -9.283
  540    HA   THR 172           HA       THR 172  -9.992   3.559  -8.268
  541    HB   THR 172           HB       THR 172 -12.115   2.610  -9.352
  542    HG1  THR 172           HG1      THR 172 -10.214   0.858 -10.553
  543   1HG2  THR 172          HG21      THR 172  -9.712   3.163 -11.105
  544   2HG2  THR 172          HG22      THR 172 -10.787   4.376 -10.408
  545   3HG2  THR 172          HG23      THR 172 -11.398   3.247 -11.618
  546    H    LYS 173           HN       LYS 173 -12.200   3.320  -7.166
  547    HA   LYS 173           HA       LYS 173 -12.017   1.767  -4.855
  548   1HB   LYS 173          HB2       LYS 173 -14.395   2.256  -4.494
  549   2HB   LYS 173          HB3       LYS 173 -13.496   3.690  -4.964
  550   1HG   LYS 173          HG2       LYS 173 -14.383   3.577  -7.195
  551   2HG   LYS 173          HG3       LYS 173 -15.169   2.035  -6.840
  552   1HD   LYS 173          HD2       LYS 173 -16.645   3.077  -5.268
  553   2HD   LYS 173          HD3       LYS 173 -15.762   4.600  -5.371
  554   1HE   LYS 173          HE2       LYS 173 -17.858   4.656  -6.645
  555   2HE   LYS 173          HE3       LYS 173 -16.448   4.876  -7.678
  556   1HZ   LYS 173          HZ1       LYS 173 -16.618   2.607  -8.392
  557   2HZ   LYS 173          HZ2       LYS 173 -18.114   3.362  -8.623
  558   3HZ   LYS 173          HZ3       LYS 173 -17.893   2.302  -7.319
  559    H    ASP 174           HN       ASP 174 -13.061   0.840  -8.054
  560    HA   ASP 174           HA       ASP 174 -14.355  -1.476  -6.931
  561   1HB   ASP 174          HB2       ASP 174 -14.998  -1.959  -9.306
  562   2HB   ASP 174          HB3       ASP 174 -15.571  -0.413  -8.717
  563    H    ASP 175           HN       ASP 175 -11.316  -0.564  -7.873
  564    HA   ASP 175           HA       ASP 175 -10.431  -3.145  -8.876
  565   1HB   ASP 175          HB2       ASP 175  -9.071  -0.514  -8.367
  566   2HB   ASP 175          HB3       ASP 175  -8.118  -1.980  -8.559
  567    H    PHE 176           HN       PHE 176 -10.344  -1.318  -5.869
  568    HA   PHE 176           HA       PHE 176  -8.752  -3.349  -4.619
  569   1HB   PHE 176          HB2       PHE 176 -10.503  -1.160  -3.448
  570   2HB   PHE 176          HB3       PHE 176  -9.724  -2.353  -2.425
  571    HD1  PHE 176           HD1      PHE 176  -9.043   0.360  -4.854
  572    HD2  PHE 176           HD2      PHE 176  -7.555  -2.051  -1.684
  573    HE1  PHE 176           HE1      PHE 176  -7.067   1.816  -4.669
  574    HE2  PHE 176           HE2      PHE 176  -5.582  -0.602  -1.499
  575    HZ   PHE 176           HZ       PHE 176  -5.338   1.337  -2.992
  576    H    GLN 177           HN       GLN 177 -12.041  -2.989  -5.444
  577    HA   GLN 177           HA       GLN 177 -13.086  -4.832  -3.560
  578   1HB   GLN 177          HB2       GLN 177 -14.108  -3.811  -6.187
  579   2HB   GLN 177          HB3       GLN 177 -14.981  -5.004  -5.235
  580   1HG   GLN 177          HG2       GLN 177 -14.436  -3.111  -3.365
  581   2HG   GLN 177          HG3       GLN 177 -14.654  -2.140  -4.816
  582   1HE2  GLN 177          HE21      GLN 177 -16.294  -2.510  -2.352
  583   2HE2  GLN 177          HE22      GLN 177 -17.873  -2.959  -2.901
  584    H    ARG 178           HN       ARG 178 -11.994  -5.269  -6.943
  585    HA   ARG 178           HA       ARG 178 -12.564  -7.955  -7.143
  586   1HB   ARG 178          HB2       ARG 178 -11.096  -8.056  -8.991
  587   2HB   ARG 178          HB3       ARG 178 -11.755  -6.428  -8.971
  588   1HG   ARG 178          HG2       ARG 178  -9.681  -5.630  -7.913
  589   2HG   ARG 178          HG3       ARG 178  -9.024  -7.264  -8.023
  590   1HD   ARG 178          HD2       ARG 178  -8.161  -6.101  -9.882
  591   2HD   ARG 178          HD3       ARG 178  -9.451  -7.123 -10.515
  592    HE   ARG 178           HE       ARG 178  -9.527  -4.202 -10.199
  593   1HH1  ARG 178          HH12      ARG 178 -11.001  -7.135 -11.437
  594   2HH1  ARG 178          HH11      ARG 178 -12.170  -6.282 -12.400
  595   1HH2  ARG 178          HH22      ARG 178 -11.040  -3.100 -11.461
  596   2HH2  ARG 178          HH21      ARG 178 -12.207  -3.989 -12.396
  597    H    LEU 179           HN       LEU 179 -10.361  -6.623  -4.999
  598    HA   LEU 179           HA       LEU 179  -9.106  -9.268  -4.621
  599   1HB   LEU 179          HB2       LEU 179  -7.940  -6.564  -3.931
  600   2HB   LEU 179          HB3       LEU 179  -7.180  -8.113  -3.618
  601    HG   LEU 179           HG       LEU 179  -7.771  -6.970  -6.351
  602   1HD1  LEU 179          HD11      LEU 179  -5.181  -7.298  -4.849
  603   2HD1  LEU 179          HD12      LEU 179  -5.332  -6.789  -6.532
  604   3HD1  LEU 179          HD13      LEU 179  -5.982  -5.776  -5.242
  605   1HD2  LEU 179          HD21      LEU 179  -6.301  -9.484  -5.568
  606   2HD2  LEU 179          HD22      LEU 179  -7.902  -9.414  -6.305
  607   3HD2  LEU 179          HD23      LEU 179  -6.493  -8.858  -7.205
  608    H    THR 180           HN       THR 180 -10.893  -6.679  -3.345
  609    HA   THR 180           HA       THR 180 -11.526  -8.011  -0.886
  610    HB   THR 180           HB       THR 180  -9.913  -5.445  -0.857
  611    HG1  THR 180           HG1      THR 180  -9.169  -7.958  -0.696
  612   1HG2  THR 180          HG21      THR 180 -10.224  -5.471   1.578
  613   2HG2  THR 180          HG22      THR 180 -11.322  -6.842   1.416
  614   3HG2  THR 180          HG23      THR 180 -11.753  -5.281   0.720
  615    HA   PRO 181           HA       PRO 181 -14.625  -5.511  -3.054
  616   1HB   PRO 181          HB2       PRO 181 -16.635  -7.365  -2.108
  617   2HB   PRO 181          HB3       PRO 181 -16.034  -7.121  -3.748
  618   1HG   PRO 181          HG2       PRO 181 -15.560  -9.376  -2.267
  619   2HG   PRO 181          HG3       PRO 181 -14.502  -8.807  -3.570
  620   1HD   PRO 181          HD2       PRO 181 -14.192  -8.528  -0.611
  621   2HD   PRO 181          HD3       PRO 181 -12.958  -8.832  -1.854
  622    H    SER 182           HN       SER 182 -16.171  -7.045  -0.288
  623    HA   SER 182           HA       SER 182 -18.304  -5.694   0.072
  624   1HB   SER 182          HB2       SER 182 -16.510  -6.030   2.463
  625   2HB   SER 182          HB3       SER 182 -18.272  -6.063   2.406
  626    HG   SER 182           HG       SER 182 -16.762  -8.131   2.291
  627    H    TYR 183           HN       TYR 183 -15.902  -4.314   2.307
  628    HA   TYR 183           HA       TYR 183 -16.816  -1.652   1.502
  629   1HB   TYR 183          HB2       TYR 183 -17.178  -1.159   3.998
  630   2HB   TYR 183          HB3       TYR 183 -18.413  -2.093   3.160
  631    HD1  TYR 183           HD1      TYR 183 -15.659  -2.263   5.613
  632    HD2  TYR 183           HD2      TYR 183 -18.818  -4.387   3.714
  633    HE1  TYR 183           HE1      TYR 183 -15.429  -4.074   7.263
  634    HE2  TYR 183           HE2      TYR 183 -18.596  -6.199   5.354
  635    HH   TYR 183           HH       TYR 183 -16.657  -7.088   6.842
  636    H    ASN 184           HN       ASN 184 -14.184  -3.340   1.781
  637    HA   ASN 184           HA       ASN 184 -12.740  -1.504   3.551
  638   1HB   ASN 184          HB2       ASN 184 -11.836  -4.095   2.288
  639   2HB   ASN 184          HB3       ASN 184 -10.838  -3.087   3.331
  640   1HD2  ASN 184          HD21      ASN 184 -13.078  -2.417   5.131
  641   2HD2  ASN 184          HD22      ASN 184 -13.383  -3.840   6.043
  642    H    ALA 185           HN       ALA 185 -13.276  -2.168   0.255
  643    HA   ALA 185           HA       ALA 185 -11.021  -1.061  -0.994
  644   1HB   ALA 185          HB1       ALA 185 -13.929  -0.869  -1.767
  645   2HB   ALA 185          HB2       ALA 185 -12.555  -0.554  -2.827
  646   3HB   ALA 185          HB3       ALA 185 -12.825  -2.177  -2.192
  647    H    ASP 186           HN       ASP 186 -14.082   0.462  -0.059
  648    HA   ASP 186           HA       ASP 186 -13.335   3.126  -0.497
  649   1HB   ASP 186          HB2       ASP 186 -15.664   2.268  -0.390
  650   2HB   ASP 186          HB3       ASP 186 -15.476   2.036   1.343
  651    H    ILE 187           HN       ILE 187 -12.171   1.123   1.908
  652    HA   ILE 187           HA       ILE 187 -11.945   3.258   3.885
  653    HB   ILE 187           HB       ILE 187 -10.786   0.454   3.958
  654   1HG1  ILE 187          HG12      ILE 187 -13.252   0.439   4.024
  655   2HG1  ILE 187          HG13      ILE 187 -12.565  -0.057   5.567
  656   1HG2  ILE 187          HG21      ILE 187 -10.971   2.576   6.091
  657   2HG2  ILE 187          HG22      ILE 187 -10.423   0.917   6.348
  658   3HG2  ILE 187          HG23      ILE 187  -9.504   1.998   5.302
  659   1HD1  ILE 187          HD11      ILE 187 -14.480   1.400   5.875
  660   2HD1  ILE 187          HD12      ILE 187 -13.008   2.161   6.478
  661   3HD1  ILE 187          HD13      ILE 187 -13.689   2.663   4.931
  662    H    LEU 188           HN       LEU 188  -9.765   1.004   2.267
  663    HA   LEU 188           HA       LEU 188  -7.344   2.243   2.751
  664   1HB   LEU 188          HB2       LEU 188  -8.048   0.739   0.260
  665   2HB   LEU 188          HB3       LEU 188  -6.460   0.991   0.971
  666    HG   LEU 188           HG       LEU 188  -8.655  -0.516   2.390
  667   1HD1  LEU 188          HD11      LEU 188  -7.578  -2.567   1.681
  668   2HD1  LEU 188          HD12      LEU 188  -8.131  -1.645   0.282
  669   3HD1  LEU 188          HD13      LEU 188  -6.421  -1.646   0.716
  670   1HD2  LEU 188          HD21      LEU 188  -6.822  -1.380   3.726
  671   2HD2  LEU 188          HD22      LEU 188  -5.667  -0.444   2.776
  672   3HD2  LEU 188          HD23      LEU 188  -6.855   0.383   3.785
  673    H    LEU 189           HN       LEU 189  -9.633   2.766   0.043
  674    HA   LEU 189           HA       LEU 189  -7.725   4.235  -1.545
  675   1HB   LEU 189          HB2       LEU 189  -9.677   2.843  -2.397
  676   2HB   LEU 189          HB3       LEU 189 -10.705   4.165  -1.879
  677    HG   LEU 189           HG       LEU 189  -9.361   5.684  -3.369
  678   1HD1  LEU 189          HD11      LEU 189  -8.295   3.068  -4.431
  679   2HD1  LEU 189          HD12      LEU 189  -8.051   4.659  -5.154
  680   3HD1  LEU 189          HD13      LEU 189  -7.365   4.295  -3.569
  681   1HD2  LEU 189          HD21      LEU 189 -10.495   4.972  -5.410
  682   2HD2  LEU 189          HD22      LEU 189 -10.825   3.400  -4.682
  683   3HD2  LEU 189          HD23      LEU 189 -11.560   4.855  -4.008
  684    H    SER 190           HN       SER 190  -9.783   5.006   1.073
  685    HA   SER 190           HA       SER 190 -10.153   7.754   0.153
  686   1HB   SER 190          HB2       SER 190 -11.247   6.332   2.602
  687   2HB   SER 190          HB3       SER 190 -11.626   7.989   2.128
  688    HG   SER 190           HG       SER 190 -12.779   5.730   1.312
  689    H    HIS 191           HN       HIS 191  -8.129   5.769   1.931
  690    HA   HIS 191           HA       HIS 191  -6.966   7.938   3.481
  691   1HB   HIS 191          HB2       HIS 191  -6.418   4.990   3.227
  692   2HB   HIS 191          HB3       HIS 191  -5.307   6.055   4.080
  693    HD2  HIS 191           HD2      HIS 191  -7.160   7.758   5.949
  694    HE1  HIS 191           HE1      HIS 191  -9.221   4.184   6.870
  695    HE2  HIS 191           HE2      HIS 191  -9.035   6.659   7.368
  696    H    LEU 192           HN       LEU 192  -6.326   5.895   0.708
  697    HA   LEU 192           HA       LEU 192  -3.642   6.557   0.431
  698   1HB   LEU 192          HB2       LEU 192  -5.042   4.644  -0.608
  699   2HB   LEU 192          HB3       LEU 192  -5.367   5.794  -1.897
  700    HG   LEU 192           HG       LEU 192  -2.732   6.028  -1.871
  701   1HD1  LEU 192          HD11      LEU 192  -3.199   3.248  -0.820
  702   2HD1  LEU 192          HD12      LEU 192  -1.661   3.890  -1.399
  703   3HD1  LEU 192          HD13      LEU 192  -2.416   4.575   0.040
  704   1HD2  LEU 192          HD21      LEU 192  -4.161   3.706  -3.155
  705   2HD2  LEU 192          HD22      LEU 192  -4.077   5.350  -3.790
  706   3HD2  LEU 192          HD23      LEU 192  -2.609   4.384  -3.650
  707    H    HIS 193           HN       HIS 193  -6.525   7.732  -1.229
  708    HA   HIS 193           HA       HIS 193  -5.257   9.464  -3.018
  709   1HB   HIS 193          HB2       HIS 193  -7.363  10.299  -3.575
  710   2HB   HIS 193          HB3       HIS 193  -7.742   8.701  -2.944
  711    HD2  HIS 193           HD2      HIS 193  -8.615   8.811  -0.164
  712    HE1  HIS 193           HE1      HIS 193 -10.217  12.685  -0.758
  713    HE2  HIS 193           HE2      HIS 193 -10.377  10.563   0.620
  714    H    TYR 194           HN       TYR 194  -6.376  10.040   0.292
  715    HA   TYR 194           HA       TYR 194  -5.762  12.756   0.462
  716   1HB   TYR 194          HB2       TYR 194  -7.104  11.734   2.160
  717   2HB   TYR 194          HB3       TYR 194  -5.847  10.567   2.543
  718    HD1  TYR 194           HD1      TYR 194  -6.626  14.206   2.670
  719    HD2  TYR 194           HD2      TYR 194  -4.300  11.004   4.232
  720    HE1  TYR 194           HE1      TYR 194  -5.789  15.684   4.451
  721    HE2  TYR 194           HE2      TYR 194  -3.457  12.474   6.011
  722    HH   TYR 194           HH       TYR 194  -4.846  15.495   6.712
  723    H    LEU 195           HN       LEU 195  -3.766   9.900   1.169
  724    HA   LEU 195           HA       LEU 195  -1.501  11.121   2.137
  725   1HB   LEU 195          HB2       LEU 195  -1.797   8.644   0.444
  726   2HB   LEU 195          HB3       LEU 195  -0.389   9.053   1.383
  727    HG   LEU 195           HG       LEU 195  -3.111   8.502   2.515
  728   1HD1  LEU 195          HD11      LEU 195  -2.095   6.464   3.388
  729   2HD1  LEU 195          HD12      LEU 195  -2.047   6.499   1.626
  730   3HD1  LEU 195          HD13      LEU 195  -0.590   6.853   2.556
  731   1HD2  LEU 195          HD21      LEU 195  -1.972   8.551   4.684
  732   2HD2  LEU 195          HD22      LEU 195  -0.477   9.035   3.885
  733   3HD2  LEU 195          HD23      LEU 195  -1.876  10.108   3.863
  734    H    ARG 196           HN       ARG 196  -2.390  10.426  -1.232
  735    HA   ARG 196           HA       ARG 196   0.082  11.559  -2.340
  736   1HB   ARG 196          HB2       ARG 196  -1.326  11.186  -4.497
  737   2HB   ARG 196          HB3       ARG 196  -0.487   9.863  -3.710
  738   1HG   ARG 196          HG2       ARG 196  -2.517   9.077  -2.742
  739   2HG   ARG 196          HG3       ARG 196  -3.390  10.508  -3.301
  740   1HD   ARG 196          HD2       ARG 196  -1.964   8.794  -5.278
  741   2HD   ARG 196          HD3       ARG 196  -3.511   8.262  -4.636
  742    HE   ARG 196           HE       ARG 196  -3.585  10.974  -5.563
  743   1HH1  ARG 196          HH12      ARG 196  -3.750   7.634  -6.640
  744   2HH1  ARG 196          HH11      ARG 196  -4.679   8.006  -8.056
  745   1HH2  ARG 196          HH22      ARG 196  -4.776  11.459  -7.448
  746   2HH2  ARG 196          HH21      ARG 196  -5.273  10.169  -8.512
  747    H    GLU 197           HN       GLU 197  -2.723  13.014  -1.245
  748    HA   GLU 197           HA       GLU 197  -2.798  15.163  -3.061
  749   1HB   GLU 197          HB2       GLU 197  -3.163  15.175  -0.055
  750   2HB   GLU 197          HB3       GLU 197  -3.488  16.558  -1.093
  751   1HG   GLU 197          HG2       GLU 197  -4.876  13.887  -1.193
  752   2HG   GLU 197          HG3       GLU 197  -5.537  15.390  -0.554
  753    H    THR 198           HN       THR 198  -0.551  14.204  -0.599
  754    HA   THR 198           HA       THR 198   1.306  16.309  -1.493
  755    HB   THR 198           HB       THR 198   2.653  15.611   0.544
  756    HG1  THR 198           HG1      THR 198   1.064  13.619   0.663
  757   1HG2  THR 198          HG21      THR 198   1.315  17.652   0.545
  758   2HG2  THR 198          HG22      THR 198   1.262  16.877   2.128
  759   3HG2  THR 198          HG23      THR 198  -0.111  16.732   1.030
  760    HA   PRO 199           HA       PRO 199   3.311  12.709  -3.347
  761   1HB   PRO 199          HB2       PRO 199   4.472  14.002  -5.363
  762   2HB   PRO 199          HB3       PRO 199   2.714  13.818  -5.304
  763   1HG   PRO 199          HG2       PRO 199   4.384  16.217  -4.769
  764   2HG   PRO 199          HG3       PRO 199   2.741  16.113  -5.419
  765   1HD   PRO 199          HD2       PRO 199   3.519  16.646  -2.724
  766   2HD   PRO 199          HD3       PRO 199   1.874  16.431  -3.354
  767    H    LEU 200           HN       LEU 200   5.518  12.053  -3.849
  768    HA   LEU 200           HA       LEU 200   7.526  13.162  -2.085
  769   1HB   LEU 200          HB2       LEU 200   7.101  10.669  -2.865
  770   2HB   LEU 200          HB3       LEU 200   8.072  11.141  -4.243
  771    HG   LEU 200           HG       LEU 200   9.382   9.950  -2.570
  772   1HD1  LEU 200          HD11      LEU 200  10.517  11.617  -3.941
  773   2HD1  LEU 200          HD12      LEU 200  10.142  12.867  -2.756
  774   3HD1  LEU 200          HD13      LEU 200  11.221  11.539  -2.327
  775   1HD2  LEU 200          HD21      LEU 200   8.700  12.243  -0.735
  776   2HD2  LEU 200          HD22      LEU 200   8.099  10.590  -0.599
  777   3HD2  LEU 200          HD23      LEU 200   9.818  10.926  -0.386
  778    HA   PRO 201           HA       PRO 201   8.495  16.176  -5.246
  779   1HB   PRO 201          HB2       PRO 201  10.638  17.002  -3.415
  780   2HB   PRO 201          HB3       PRO 201   9.234  17.910  -3.980
  781   1HG   PRO 201          HG2       PRO 201   9.423  17.041  -1.446
  782   2HG   PRO 201          HG3       PRO 201   7.868  17.102  -2.300
  783   1HD   PRO 201          HD2       PRO 201   9.663  14.749  -1.802
  784   2HD   PRO 201          HD3       PRO 201   7.894  14.866  -1.658
  Start of MODEL    7
    1   1H    GLY 105           H1       GLY 105  17.082 -16.981   7.416
    2   2H    GLY 105           H2       GLY 105  16.597 -16.861   5.799
    3   3H    GLY 105           H3       GLY 105  16.193 -15.633   6.897
    4   1HA   GLY 105          HA2       GLY 105  18.911 -16.339   5.933
    5   2HA   GLY 105          HA1       GLY 105  18.000 -14.891   5.524
    6    H    SER 106           HN       SER 106  20.635 -15.161   6.792
    7    HA   SER 106           HA       SER 106  20.463 -14.528   9.541
    8   1HB   SER 106          HB2       SER 106  22.661 -13.733   7.618
    9   2HB   SER 106          HB3       SER 106  22.801 -13.961   9.361
   10    HG   SER 106           HG       SER 106  22.648 -16.120   9.115
   11    H    HIS 107           HN       HIS 107  21.404 -12.383   6.856
   12    HA   HIS 107           HA       HIS 107  19.431 -10.432   7.538
   13   1HB   HIS 107          HB2       HIS 107  21.261  -9.984   9.235
   14   2HB   HIS 107          HB3       HIS 107  22.319  -9.580   7.886
   15    HD2  HIS 107           HD2      HIS 107  18.604  -8.350   8.167
   16    HE1  HIS 107           HE1      HIS 107  21.225  -5.035   8.342
   17    HE2  HIS 107           HE2      HIS 107  18.823  -5.766   8.000
   18    H    MET 108           HN       MET 108  19.593 -11.764   5.333
   19    HA   MET 108           HA       MET 108  20.972 -10.078   3.361
   20   1HB   MET 108          HB2       MET 108  19.797 -12.857   3.066
   21   2HB   MET 108          HB3       MET 108  20.533 -11.939   1.763
   22   1HG   MET 108          HG2       MET 108  22.151 -13.481   2.487
   23   2HG   MET 108          HG3       MET 108  22.649 -11.912   3.111
   24   1HE   MET 108          HE1       MET 108  24.337 -13.101   4.755
   25   2HE   MET 108          HE2       MET 108  23.884 -14.380   5.882
   26   3HE   MET 108          HE3       MET 108  23.842 -14.679   4.144
   27    H    GLU 109           HN       GLU 109  18.000 -11.990   3.562
   28    HA   GLU 109           HA       GLU 109  15.891 -11.646   2.796
   29   1HB   GLU 109          HB2       GLU 109  16.248  -8.793   3.680
   30   2HB   GLU 109          HB3       GLU 109  14.802  -9.789   3.757
   31   1HG   GLU 109          HG2       GLU 109  17.261  -9.974   5.471
   32   2HG   GLU 109          HG3       GLU 109  15.624  -9.560   5.967
   33    H    GLU 110           HN       GLU 110  17.254 -11.750   0.653
   34    HA   GLU 110           HA       GLU 110  16.898  -9.257  -0.875
   35   1HB   GLU 110          HB2       GLU 110  19.215 -10.068  -0.695
   36   2HB   GLU 110          HB3       GLU 110  18.731 -11.605  -1.395
   37   1HG   GLU 110          HG2       GLU 110  19.777 -10.337  -3.098
   38   2HG   GLU 110          HG3       GLU 110  18.051 -10.374  -3.450
   39    H    LYS 111           HN       LYS 111  15.250  -9.242  -2.238
   40    HA   LYS 111           HA       LYS 111  14.881 -11.427  -4.070
   41   1HB   LYS 111          HB2       LYS 111  13.474 -12.130  -2.129
   42   2HB   LYS 111          HB3       LYS 111  12.543 -10.648  -2.315
   43   1HG   LYS 111          HG2       LYS 111  11.972 -11.357  -4.622
   44   2HG   LYS 111          HG3       LYS 111  12.793 -12.887  -4.310
   45   1HD   LYS 111          HD2       LYS 111  11.233 -13.293  -2.434
   46   2HD   LYS 111          HD3       LYS 111  10.382 -11.804  -2.857
   47   1HE   LYS 111          HE2       LYS 111  10.708 -14.252  -4.593
   48   2HE   LYS 111          HE3       LYS 111   9.229 -13.718  -3.797
   49   1HZ   LYS 111          HZ1       LYS 111   9.205 -11.755  -5.177
   50   2HZ   LYS 111          HZ2       LYS 111   9.303 -13.128  -6.164
   51   3HZ   LYS 111          HZ3       LYS 111  10.681 -12.183  -5.893
   52    H    HIS 112           HN       HIS 112  12.917  -8.715  -2.845
   53    HA   HIS 112           HA       HIS 112  13.400  -7.131  -5.179
   54   1HB   HIS 112          HB2       HIS 112  11.682  -8.879  -5.920
   55   2HB   HIS 112          HB3       HIS 112  10.561  -8.103  -4.808
   56    HD2  HIS 112           HD2      HIS 112   9.187  -6.039  -5.857
   57    HE1  HIS 112           HE1      HIS 112  11.594  -5.487  -9.290
   58    HE2  HIS 112           HE2      HIS 112   9.596  -4.622  -7.993
   59    H    MET 113           HN       MET 113  13.660  -6.877  -2.335
   60    HA   MET 113           HA       MET 113  11.786  -4.650  -1.888
   61   1HB   MET 113          HB2       MET 113  11.992  -5.058   0.548
   62   2HB   MET 113          HB3       MET 113  11.248  -6.401  -0.303
   63   1HG   MET 113          HG2       MET 113  13.312  -7.655  -0.193
   64   2HG   MET 113          HG3       MET 113  14.125  -6.288   0.570
   65   1HE   MET 113          HE1       MET 113  10.469  -7.628   1.197
   66   2HE   MET 113          HE2       MET 113  11.418  -9.097   0.970
   67   3HE   MET 113          HE3       MET 113  10.737  -8.722   2.553
   68    HA   PRO 114           HA       PRO 114  15.726  -2.537  -1.691
   69   1HB   PRO 114          HB2       PRO 114  14.761  -0.209  -2.704
   70   2HB   PRO 114          HB3       PRO 114  15.176  -1.598  -3.709
   71   1HG   PRO 114          HG2       PRO 114  12.548  -0.490  -3.095
   72   2HG   PRO 114          HG3       PRO 114  13.003  -1.665  -4.337
   73   1HD   PRO 114          HD2       PRO 114  11.815  -2.131  -1.716
   74   2HD   PRO 114          HD3       PRO 114  12.036  -3.268  -3.062
   75    HA   PRO 115           HA       PRO 115  14.711  -0.861   2.430
   76   1HB   PRO 115          HB2       PRO 115  17.651  -0.419   2.226
   77   2HB   PRO 115          HB3       PRO 115  16.701  -1.089   3.557
   78   1HG   PRO 115          HG2       PRO 115  18.136  -2.684   1.984
   79   2HG   PRO 115          HG3       PRO 115  16.533  -3.177   2.560
   80   1HD   PRO 115          HD2       PRO 115  17.360  -2.195  -0.136
   81   2HD   PRO 115          HD3       PRO 115  16.155  -3.425   0.297
   82    HA   PRO 116           HA       PRO 116  16.200   3.447   1.044
   83   1HB   PRO 116          HB2       PRO 116  17.542   3.360  -1.502
   84   2HB   PRO 116          HB3       PRO 116  18.196   3.865   0.056
   85   1HG   PRO 116          HG2       PRO 116  18.996   1.613  -1.291
   86   2HG   PRO 116          HG3       PRO 116  19.131   1.826   0.462
   87   1HD   PRO 116          HD2       PRO 116  17.070   0.335  -1.113
   88   2HD   PRO 116          HD3       PRO 116  17.851  -0.101   0.424
   89    H    ASN 117           HN       ASN 117  14.041   3.759   0.675
   90    HA   ASN 117           HA       ASN 117  12.924   3.204  -1.939
   91   1HB   ASN 117          HB2       ASN 117  10.842   4.333  -0.799
   92   2HB   ASN 117          HB3       ASN 117  11.321   2.696  -0.357
   93   1HD2  ASN 117          HD21      ASN 117  10.295   2.881   1.641
   94   2HD2  ASN 117          HD22      ASN 117  10.946   3.838   2.926
   95    H    MET 118           HN       MET 118  12.456   6.129   0.040
   96    HA   MET 118           HA       MET 118  13.137   7.730  -2.327
   97   1HB   MET 118          HB2       MET 118  10.656   8.109  -0.637
   98   2HB   MET 118          HB3       MET 118  11.172   9.161  -1.946
   99   1HG   MET 118          HG2       MET 118  10.287   6.297  -2.168
  100   2HG   MET 118          HG3       MET 118   9.400   7.724  -2.702
  101   1HE   MET 118          HE1       MET 118  10.471   9.387  -4.682
  102   2HE   MET 118          HE2       MET 118  12.032   9.368  -3.860
  103   3HE   MET 118          HE3       MET 118  11.933   8.962  -5.573
  104    H    THR 119           HN       THR 119  12.983  10.173  -1.613
  105    HA   THR 119           HA       THR 119  14.892  10.358   0.586
  106    HB   THR 119           HB       THR 119  15.148  12.727  -0.470
  107    HG1  THR 119           HG1      THR 119  14.482  12.779  -2.659
  108   1HG2  THR 119          HG21      THR 119  16.712  11.837  -2.138
  109   2HG2  THR 119          HG22      THR 119  15.975  10.243  -1.980
  110   3HG2  THR 119          HG23      THR 119  16.838  10.955  -0.617
  111    H    THR 120           HN       THR 120  12.009  10.175   1.128
  112    HA   THR 120           HA       THR 120  11.892  12.375   2.995
  113    HB   THR 120           HB       THR 120   9.547  12.002   1.110
  114    HG1  THR 120           HG1      THR 120  11.831  13.508   0.842
  115   1HG2  THR 120          HG21      THR 120   8.937  12.802   3.328
  116   2HG2  THR 120          HG22      THR 120   8.749  14.093   2.143
  117   3HG2  THR 120          HG23      THR 120  10.144  14.084   3.223
  118    H    ASN 121           HN       ASN 121   9.384  10.312   1.619
  119    HA   ASN 121           HA       ASN 121   8.152   8.584   2.397
  120   1HB   ASN 121          HB2       ASN 121  10.192   8.257   4.599
  121   2HB   ASN 121          HB3       ASN 121   9.037   7.057   4.020
  122   1HD2  ASN 121          HD21      ASN 121  11.944   6.982   4.227
  123   2HD2  ASN 121          HD22      ASN 121  12.505   6.580   2.639
  124    H    GLU 122           HN       GLU 122   6.294   8.659   3.469
  125    HA   GLU 122           HA       GLU 122   5.832  10.673   5.410
  126   1HB   GLU 122          HB2       GLU 122   4.126   9.787   3.775
  127   2HB   GLU 122          HB3       GLU 122   4.023   8.347   4.782
  128   1HG   GLU 122          HG2       GLU 122   2.270  10.115   5.165
  129   2HG   GLU 122          HG3       GLU 122   3.136   9.547   6.594
  130    H    ARG 123           HN       ARG 123   5.696  10.513   7.611
  131    HA   ARG 123           HA       ARG 123   7.771   8.943   8.597
  132   1HB   ARG 123          HB2       ARG 123   5.657  10.383  10.193
  133   2HB   ARG 123          HB3       ARG 123   7.232   9.872  10.782
  134   1HG   ARG 123          HG2       ARG 123   6.711  11.917   8.633
  135   2HG   ARG 123          HG3       ARG 123   7.237  12.238  10.288
  136   1HD   ARG 123          HD2       ARG 123   9.306  11.006   9.875
  137   2HD   ARG 123          HD3       ARG 123   8.780  10.664   8.226
  138    HE   ARG 123           HE       ARG 123   9.104  13.447   9.125
  139   1HH1  ARG 123          HH12      ARG 123   9.996  10.814   7.007
  140   2HH1  ARG 123          HH11      ARG 123  10.955  11.801   5.958
  141   1HH2  ARG 123          HH22      ARG 123  10.351  14.777   7.728
  142   2HH2  ARG 123          HH21      ARG 123  11.164  14.057   6.360
  143    H    ARG 124           HN       ARG 124   4.279   8.475   9.124
  144    HA   ARG 124           HA       ARG 124   4.568   6.665  11.228
  145   1HB   ARG 124          HB2       ARG 124   2.184   5.947  10.614
  146   2HB   ARG 124          HB3       ARG 124   2.466   7.595  11.140
  147   1HG   ARG 124          HG2       ARG 124   2.380   6.906   8.228
  148   2HG   ARG 124          HG3       ARG 124   0.900   7.173   9.150
  149   1HD   ARG 124          HD2       ARG 124   2.149   9.356   9.911
  150   2HD   ARG 124          HD3       ARG 124   3.071   9.094   8.427
  151    HE   ARG 124           HE       ARG 124   0.400   8.889   7.729
  152   1HH1  ARG 124          HH12      ARG 124   2.478  11.360   9.115
  153   2HH1  ARG 124          HH11      ARG 124   1.562  12.670   8.439
  154   1HH2  ARG 124          HH22      ARG 124  -0.816  10.606   6.892
  155   2HH2  ARG 124          HH21      ARG 124  -0.319  12.247   7.176
  156    H    VAL 125           HN       VAL 125   4.778   6.025   7.794
  157    HA   VAL 125           HA       VAL 125   5.193   3.199   8.531
  158    HB   VAL 125           HB       VAL 125   4.377   3.414   5.772
  159   1HG1  VAL 125          HG11      VAL 125   2.859   1.620   6.440
  160   2HG1  VAL 125          HG12      VAL 125   4.501   1.349   7.025
  161   3HG1  VAL 125          HG13      VAL 125   3.255   1.922   8.132
  162   1HG2  VAL 125          HG21      VAL 125   3.022   5.307   6.573
  163   2HG2  VAL 125          HG22      VAL 125   2.036   3.933   6.071
  164   3HG2  VAL 125          HG23      VAL 125   2.293   4.250   7.787
  165    H    ILE 126           HN       ILE 126   6.726   5.791   7.728
  166    HA   ILE 126           HA       ILE 126   8.476   6.486   6.531
  167    HB   ILE 126           HB       ILE 126   9.358   4.640   8.105
  168   1HG1  ILE 126          HG12      ILE 126  11.662   4.941   7.114
  169   2HG1  ILE 126          HG13      ILE 126  10.877   5.736   5.752
  170   1HG2  ILE 126          HG21      ILE 126   9.826   3.281   5.455
  171   2HG2  ILE 126          HG22      ILE 126  10.570   2.817   6.988
  172   3HG2  ILE 126          HG23      ILE 126   8.822   2.689   6.780
  173   1HD1  ILE 126          HD11      ILE 126  10.662   6.642   8.611
  174   2HD1  ILE 126          HD12      ILE 126  11.766   7.321   7.414
  175   3HD1  ILE 126          HD13      ILE 126  10.022   7.470   7.193
  176    H    VAL 127           HN       VAL 127   6.328   5.833   4.924
  177    HA   VAL 127           HA       VAL 127   7.659   4.945   2.448
  178    HB   VAL 127           HB       VAL 127   5.418   4.151   1.684
  179   1HG1  VAL 127          HG11      VAL 127   6.400   2.873   4.236
  180   2HG1  VAL 127          HG12      VAL 127   5.399   2.099   3.008
  181   3HG1  VAL 127          HG13      VAL 127   7.052   2.582   2.624
  182   1HG2  VAL 127          HG21      VAL 127   4.656   4.817   4.519
  183   2HG2  VAL 127          HG22      VAL 127   3.942   5.442   3.036
  184   3HG2  VAL 127          HG23      VAL 127   3.707   3.750   3.482
  185    HA   PRO 128           HA       PRO 128   7.219   9.053   1.037
  186   1HB   PRO 128          HB2       PRO 128   6.481   8.512  -1.616
  187   2HB   PRO 128          HB3       PRO 128   8.119   8.712  -0.998
  188   1HG   PRO 128          HG2       PRO 128   6.591   6.232  -1.563
  189   2HG   PRO 128          HG3       PRO 128   8.327   6.545  -1.716
  190   1HD   PRO 128          HD2       PRO 128   7.363   5.093   0.316
  191   2HD   PRO 128          HD3       PRO 128   8.729   6.204   0.543
  192    H    ALA 129           HN       ALA 129   5.745  10.515   1.109
  193    HA   ALA 129           HA       ALA 129   3.129  10.312   1.632
  194   1HB   ALA 129          HB1       ALA 129   4.390  12.386   1.749
  195   2HB   ALA 129          HB2       ALA 129   4.363  12.508  -0.010
  196   3HB   ALA 129          HB3       ALA 129   2.859  12.613   0.904
  197    H    ASP 130           HN       ASP 130   4.482  10.089  -1.613
  198    HA   ASP 130           HA       ASP 130   1.780   9.644  -2.730
  199   1HB   ASP 130          HB2       ASP 130   3.108   9.233  -4.873
  200   2HB   ASP 130          HB3       ASP 130   3.059  10.870  -4.274
  201    HA   PRO 131           HA       PRO 131   2.303   5.300  -2.017
  202   1HB   PRO 131          HB2       PRO 131  -0.439   5.328  -3.087
  203   2HB   PRO 131          HB3       PRO 131   0.153   4.717  -1.538
  204   1HG   PRO 131          HG2       PRO 131  -1.322   6.941  -1.665
  205   2HG   PRO 131          HG3       PRO 131   0.032   6.797  -0.523
  206   1HD   PRO 131          HD2       PRO 131  -0.043   8.161  -3.194
  207   2HD   PRO 131          HD3       PRO 131   0.613   8.761  -1.652
  208    H    THR 132           HN       THR 132   2.960   6.942  -4.525
  209    HA   THR 132           HA       THR 132   2.293   5.029  -6.588
  210    HB   THR 132           HB       THR 132   3.557   6.675  -8.009
  211    HG1  THR 132           HG1      THR 132   4.466   8.376  -7.099
  212   1HG2  THR 132          HG21      THR 132   1.810   8.400  -7.979
  213   2HG2  THR 132          HG22      THR 132   1.243   7.791  -6.425
  214   3HG2  THR 132          HG23      THR 132   1.118   6.782  -7.866
  215    H    LEU 133           HN       LEU 133   5.026   6.331  -4.800
  216    HA   LEU 133           HA       LEU 133   6.872   4.500  -6.129
  217   1HB   LEU 133          HB2       LEU 133   7.619   6.535  -4.062
  218   2HB   LEU 133          HB3       LEU 133   8.555   5.966  -5.431
  219    HG   LEU 133           HG       LEU 133   6.169   7.839  -5.614
  220   1HD1  LEU 133          HD11      LEU 133   8.080   8.866  -4.512
  221   2HD1  LEU 133          HD12      LEU 133   9.125   8.388  -5.849
  222   3HD1  LEU 133          HD13      LEU 133   7.824   9.548  -6.120
  223   1HD2  LEU 133          HD21      LEU 133   8.165   6.924  -7.699
  224   2HD2  LEU 133          HD22      LEU 133   6.462   6.477  -7.623
  225   3HD2  LEU 133          HD23      LEU 133   6.922   8.153  -7.932
  226    H    TRP 134           HN       TRP 134   4.919   4.265  -3.444
  227    HA   TRP 134           HA       TRP 134   6.561   2.853  -1.739
  228   1HB   TRP 134          HB2       TRP 134   3.705   2.313  -2.541
  229   2HB   TRP 134          HB3       TRP 134   4.508   1.501  -1.206
  230    HD1  TRP 134           HD1      TRP 134   5.808   4.756  -0.873
  231    HE1  TRP 134           HE1      TRP 134   4.433   6.283   0.652
  232    HE3  TRP 134           HE3      TRP 134   1.554   1.962  -0.687
  233    HZ2  TRP 134           HZ2      TRP 134   1.848   6.253   1.833
  234    HZ3  TRP 134           HZ3      TRP 134  -0.326   2.768   0.678
  235    HH2  TRP 134           HH2      TRP 134  -0.181   4.868   1.912
  236    H    SER 135           HN       SER 135   7.703   1.004  -1.999
  237    HA   SER 135           HA       SER 135   7.612  -0.380  -4.486
  238   1HB   SER 135          HB2       SER 135   9.714  -0.147  -3.278
  239   2HB   SER 135          HB3       SER 135   9.055  -1.035  -1.906
  240    HG   SER 135           HG       SER 135   9.675  -2.778  -2.859
  241    H    THR 136           HN       THR 136   7.311  -2.606  -4.673
  242    HA   THR 136           HA       THR 136   4.987  -3.854  -4.062
  243    HB   THR 136           HB       THR 136   6.288  -6.092  -3.864
  244    HG1  THR 136           HG1      THR 136   8.440  -4.687  -4.983
  245   1HG2  THR 136          HG21      THR 136   6.455  -4.294  -6.280
  246   2HG2  THR 136          HG22      THR 136   5.204  -5.483  -5.903
  247   3HG2  THR 136          HG23      THR 136   6.836  -6.018  -6.310
  248    H    ASP 137           HN       ASP 137   7.787  -3.764  -1.884
  249    HA   ASP 137           HA       ASP 137   6.453  -5.267   0.179
  250   1HB   ASP 137          HB2       ASP 137   8.462  -4.695   1.551
  251   2HB   ASP 137          HB3       ASP 137   8.848  -5.524   0.041
  252    H    HIS 138           HN       HIS 138   7.281  -1.764  -0.384
  253    HA   HIS 138           HA       HIS 138   6.335  -0.946   2.113
  254   1HB   HIS 138          HB2       HIS 138   6.633   0.567  -0.476
  255   2HB   HIS 138          HB3       HIS 138   6.325   1.303   1.082
  256    HD2  HIS 138           HD2      HIS 138   8.484   0.779   2.996
  257    HE1  HIS 138           HE1      HIS 138  11.307   0.553  -0.151
  258    HE2  HIS 138           HE2      HIS 138  10.994   0.509   2.362
  259    H    VAL 139           HN       VAL 139   4.480  -2.099  -0.530
  260    HA   VAL 139           HA       VAL 139   2.368  -0.141  -0.069
  261    HB   VAL 139           HB       VAL 139   2.843  -2.181  -2.217
  262   1HG1  VAL 139          HG11      VAL 139   0.073  -1.315  -1.356
  263   2HG1  VAL 139          HG12      VAL 139   0.449  -2.123  -2.879
  264   3HG1  VAL 139          HG13      VAL 139   0.707  -2.962  -1.348
  265   1HG2  VAL 139          HG21      VAL 139   2.002  -0.411  -3.637
  266   2HG2  VAL 139          HG22      VAL 139   1.531   0.527  -2.219
  267   3HG2  VAL 139          HG23      VAL 139   3.239   0.226  -2.550
  268    H    ARG 140           HN       ARG 140   3.384  -3.409   0.187
  269    HA   ARG 140           HA       ARG 140   1.086  -4.546   1.373
  270   1HB   ARG 140          HB2       ARG 140   3.199  -5.657   0.301
  271   2HB   ARG 140          HB3       ARG 140   3.892  -5.482   1.909
  272   1HG   ARG 140          HG2       ARG 140   1.539  -6.588   2.523
  273   2HG   ARG 140          HG3       ARG 140   1.799  -7.283   0.933
  274   1HD   ARG 140          HD2       ARG 140   3.694  -7.415   3.270
  275   2HD   ARG 140          HD3       ARG 140   2.695  -8.732   2.655
  276    HE   ARG 140           HE       ARG 140   4.225  -7.899   0.519
  277   1HH1  ARG 140          HH12      ARG 140   4.868  -9.149   3.729
  278   2HH1  ARG 140          HH11      ARG 140   6.372  -9.890   3.272
  279   1HH2  ARG 140          HH22      ARG 140   6.222  -8.879  -0.075
  280   2HH2  ARG 140          HH21      ARG 140   7.142  -9.741   1.124
  281    H    GLN 141           HN       GLN 141   3.764  -2.662   2.482
  282    HA   GLN 141           HA       GLN 141   3.697  -3.370   5.191
  283   1HB   GLN 141          HB2       GLN 141   5.677  -2.341   4.471
  284   2HB   GLN 141          HB3       GLN 141   4.812  -1.038   3.674
  285   1HG   GLN 141          HG2       GLN 141   4.382   0.079   5.677
  286   2HG   GLN 141          HG3       GLN 141   4.742  -1.355   6.646
  287   1HE2  GLN 141          HE21      GLN 141   6.841  -0.664   4.009
  288   2HE2  GLN 141          HE22      GLN 141   8.158  -0.043   4.937
  289    H    TRP 142           HN       TRP 142   2.610  -0.238   3.776
  290    HA   TRP 142           HA       TRP 142   1.025   0.493   5.929
  291   1HB   TRP 142          HB2       TRP 142   1.508   2.021   4.036
  292   2HB   TRP 142          HB3       TRP 142   0.426   1.081   3.015
  293    HD1  TRP 142           HD1      TRP 142   0.330   3.388   6.096
  294    HE1  TRP 142           HE1      TRP 142  -2.072   4.244   6.419
  295    HE3  TRP 142           HE3      TRP 142  -1.988   0.726   2.393
  296    HZ2  TRP 142           HZ2      TRP 142  -4.604   3.843   5.292
  297    HZ3  TRP 142           HZ3      TRP 142  -4.398   1.044   2.052
  298    HH2  TRP 142           HH2      TRP 142  -5.684   2.580   3.462
  299    H    LEU 143           HN       LEU 143  -0.006  -1.026   2.966
  300    HA   LEU 143           HA       LEU 143  -2.576  -1.515   3.415
  301   1HB   LEU 143          HB2       LEU 143  -1.396  -2.185   1.398
  302   2HB   LEU 143          HB3       LEU 143  -0.620  -3.492   2.263
  303    HG   LEU 143           HG       LEU 143  -3.141  -4.214   2.641
  304   1HD1  LEU 143          HD11      LEU 143  -3.162  -2.645   0.073
  305   2HD1  LEU 143          HD12      LEU 143  -4.401  -3.813   0.553
  306   3HD1  LEU 143          HD13      LEU 143  -4.146  -2.353   1.512
  307   1HD2  LEU 143          HD21      LEU 143  -1.603  -4.698   0.102
  308   2HD2  LEU 143          HD22      LEU 143  -1.345  -5.534   1.635
  309   3HD2  LEU 143          HD23      LEU 143  -2.872  -5.725   0.773
  310    H    GLU 144           HN       GLU 144  -0.013  -3.217   4.980
  311    HA   GLU 144           HA       GLU 144  -1.833  -5.077   6.331
  312   1HB   GLU 144          HB2       GLU 144   1.138  -4.751   6.363
  313   2HB   GLU 144          HB3       GLU 144   0.359  -5.573   7.710
  314   1HG   GLU 144          HG2       GLU 144  -0.730  -7.086   6.070
  315   2HG   GLU 144          HG3       GLU 144   0.234  -6.326   4.808
  316    H    TRP 145           HN       TRP 145   0.406  -2.530   7.321
  317    HA   TRP 145           HA       TRP 145  -0.503  -2.099   9.916
  318   1HB   TRP 145          HB2       TRP 145   1.383  -0.924   9.640
  319   2HB   TRP 145          HB3       TRP 145   1.123  -0.734   7.917
  320    HD1  TRP 145           HD1      TRP 145   0.709   1.615   7.125
  321    HE1  TRP 145           HE1      TRP 145   0.155   3.856   8.215
  322    HE3  TRP 145           HE3      TRP 145  -0.096  -0.001  11.878
  323    HZ2  TRP 145           HZ2      TRP 145  -0.575   4.831  10.775
  324    HZ3  TRP 145           HZ3      TRP 145  -0.718   1.643  13.601
  325    HH2  TRP 145           HH2      TRP 145  -0.952   4.012  13.061
  326    H    ALA 146           HN       ALA 146  -2.309  -1.827   7.201
  327    HA   ALA 146           HA       ALA 146  -3.932   0.472   8.067
  328   1HB   ALA 146          HB1       ALA 146  -5.076   0.217   5.920
  329   2HB   ALA 146          HB2       ALA 146  -3.335   0.406   5.714
  330   3HB   ALA 146          HB3       ALA 146  -4.073  -1.187   5.552
  331    H    VAL 147           HN       VAL 147  -4.313  -2.855   6.932
  332    HA   VAL 147           HA       VAL 147  -6.740  -3.500   8.051
  333    HB   VAL 147           HB       VAL 147  -4.274  -5.231   7.839
  334   1HG1  VAL 147          HG11      VAL 147  -5.780  -7.152   8.015
  335   2HG1  VAL 147          HG12      VAL 147  -5.817  -6.179   9.484
  336   3HG1  VAL 147          HG13      VAL 147  -7.137  -6.066   8.319
  337   1HG2  VAL 147          HG21      VAL 147  -5.414  -6.083   5.824
  338   2HG2  VAL 147          HG22      VAL 147  -6.696  -4.896   6.072
  339   3HG2  VAL 147          HG23      VAL 147  -5.054  -4.359   5.720
  340    H    LYS 148           HN       LYS 148  -3.596  -3.191   9.525
  341    HA   LYS 148           HA       LYS 148  -4.230  -4.275  12.065
  342   1HB   LYS 148          HB2       LYS 148  -2.023  -2.405  11.200
  343   2HB   LYS 148          HB3       LYS 148  -2.149  -3.093  12.810
  344   1HG   LYS 148          HG2       LYS 148  -1.802  -4.635  10.248
  345   2HG   LYS 148          HG3       LYS 148  -0.552  -4.314  11.451
  346   1HD   LYS 148          HD2       LYS 148  -1.868  -5.567  13.117
  347   2HD   LYS 148          HD3       LYS 148  -3.068  -5.926  11.873
  348   1HE   LYS 148          HE2       LYS 148  -1.364  -7.099  10.567
  349   2HE   LYS 148          HE3       LYS 148  -0.164  -6.738  11.808
  350   1HZ   LYS 148          HZ1       LYS 148  -2.589  -8.415  12.134
  351   2HZ   LYS 148          HZ2       LYS 148  -1.527  -8.006  13.390
  352   3HZ   LYS 148          HZ3       LYS 148  -0.982  -8.961  12.099
  353    H    GLU 149           HN       GLU 149  -4.058  -0.753  10.923
  354    HA   GLU 149           HA       GLU 149  -4.983   0.075  13.399
  355   1HB   GLU 149          HB2       GLU 149  -3.496   1.317  11.868
  356   2HB   GLU 149          HB3       GLU 149  -4.817   1.499  10.711
  357   1HG   GLU 149          HG2       GLU 149  -4.470   3.521  11.997
  358   2HG   GLU 149          HG3       GLU 149  -6.049   2.825  12.347
  359    H    TYR 150           HN       TYR 150  -6.850  -0.999  10.589
  360    HA   TYR 150           HA       TYR 150  -8.906   0.945  11.336
  361   1HB   TYR 150          HB2       TYR 150  -8.299  -0.234   8.622
  362   2HB   TYR 150          HB3       TYR 150  -9.656   0.821   8.980
  363    HD1  TYR 150           HD1      TYR 150  -8.459   2.874  10.681
  364    HD2  TYR 150           HD2      TYR 150  -6.884   0.959   7.224
  365    HE1  TYR 150           HE1      TYR 150  -7.051   4.843  10.240
  366    HE2  TYR 150           HE2      TYR 150  -5.479   2.924   6.770
  367    HH   TYR 150           HH       TYR 150  -4.928   5.349   9.024
  368    H    GLY 151           HN       GLY 151  -8.104  -2.272  11.361
  369   1HA   GLY 151          HA1       GLY 151  -9.322  -4.077  12.138
  370   2HA   GLY 151          HA2       GLY 151 -10.712  -3.012  12.288
  371    H    LEU 152           HN       LEU 152  -8.761  -3.971   9.485
  372    HA   LEU 152           HA       LEU 152 -11.190  -4.231   7.918
  373   1HB   LEU 152          HB2       LEU 152  -8.314  -4.570   7.078
  374   2HB   LEU 152          HB3       LEU 152  -9.694  -4.388   6.013
  375    HG   LEU 152           HG       LEU 152  -8.647  -2.276   7.902
  376   1HD1  LEU 152          HD11      LEU 152  -8.504  -2.481   4.900
  377   2HD1  LEU 152          HD12      LEU 152  -7.969  -1.108   5.869
  378   3HD1  LEU 152          HD13      LEU 152  -7.154  -2.664   6.021
  379   1HD2  LEU 152          HD21      LEU 152 -11.070  -2.143   7.579
  380   2HD2  LEU 152          HD22      LEU 152 -10.231  -0.790   6.817
  381   3HD2  LEU 152          HD23      LEU 152 -10.828  -2.124   5.832
  382    HA   PRO 153           HA       PRO 153 -10.996  -8.673   8.402
  383   1HB   PRO 153          HB2       PRO 153 -13.571  -9.128   7.769
  384   2HB   PRO 153          HB3       PRO 153 -13.084  -8.412   9.308
  385   1HG   PRO 153          HG2       PRO 153 -14.387  -7.156   6.985
  386   2HG   PRO 153          HG3       PRO 153 -14.383  -6.653   8.680
  387   1HD   PRO 153          HD2       PRO 153 -12.773  -5.656   6.523
  388   2HD   PRO 153          HD3       PRO 153 -12.776  -5.134   8.218
  389    H    ASP 154           HN       ASP 154 -12.860  -7.453   5.605
  390    HA   ASP 154           HA       ASP 154 -12.526  -9.758   4.047
  391   1HB   ASP 154          HB2       ASP 154 -13.200  -6.943   3.169
  392   2HB   ASP 154          HB3       ASP 154 -13.424  -8.390   2.197
  393    H    VAL 155           HN       VAL 155 -10.108  -7.626   4.789
  394    HA   VAL 155           HA       VAL 155  -9.005  -7.381   2.122
  395    HB   VAL 155           HB       VAL 155  -7.716  -6.574   4.730
  396   1HG1  VAL 155          HG11      VAL 155  -7.126  -5.794   1.875
  397   2HG1  VAL 155          HG12      VAL 155  -6.329  -5.140   3.306
  398   3HG1  VAL 155          HG13      VAL 155  -6.139  -6.842   2.891
  399   1HG2  VAL 155          HG21      VAL 155  -9.814  -5.394   4.442
  400   2HG2  VAL 155          HG22      VAL 155  -8.459  -4.301   4.165
  401   3HG2  VAL 155          HG23      VAL 155  -9.363  -4.950   2.796
  402    H    ASN 156           HN       ASN 156  -7.929  -8.958   1.215
  403    HA   ASN 156           HA       ASN 156  -6.348 -10.794   2.888
  404   1HB   ASN 156          HB2       ASN 156  -8.136 -11.560   1.118
  405   2HB   ASN 156          HB3       ASN 156  -6.861 -11.211  -0.044
  406   1HD2  ASN 156          HD21      ASN 156  -6.365 -12.434   3.200
  407   2HD2  ASN 156          HD22      ASN 156  -5.762 -13.983   2.719
  408    H    ILE 157           HN       ILE 157  -4.194 -10.299   2.997
  409    HA   ILE 157           HA       ILE 157  -3.523  -8.016   1.452
  410    HB   ILE 157           HB       ILE 157  -1.822  -9.485   3.492
  411   1HG1  ILE 157          HG12      ILE 157  -3.881  -8.486   4.411
  412   2HG1  ILE 157          HG13      ILE 157  -2.423  -7.751   5.067
  413   1HG2  ILE 157          HG21      ILE 157  -1.312  -6.705   2.504
  414   2HG2  ILE 157          HG22      ILE 157  -0.290  -7.699   3.536
  415   3HG2  ILE 157          HG23      ILE 157  -0.517  -8.132   1.844
  416   1HD1  ILE 157          HD11      ILE 157  -4.142  -6.607   2.890
  417   2HD1  ILE 157          HD12      ILE 157  -4.113  -6.089   4.577
  418   3HD1  ILE 157          HD13      ILE 157  -2.687  -5.870   3.563
  419    H    LEU 158           HN       LEU 158  -2.416 -11.330   1.514
  420    HA   LEU 158           HA       LEU 158  -0.098 -11.071  -0.005
  421   1HB   LEU 158          HB2       LEU 158  -0.377 -13.464  -0.537
  422   2HB   LEU 158          HB3       LEU 158  -0.500 -13.086   1.168
  423    HG   LEU 158           HG       LEU 158  -3.000 -13.364  -0.463
  424   1HD1  LEU 158          HD11      LEU 158  -1.652 -15.357  -0.949
  425   2HD1  LEU 158          HD12      LEU 158  -1.447 -15.633   0.782
  426   3HD1  LEU 158          HD13      LEU 158  -3.049 -15.742   0.055
  427   1HD2  LEU 158          HD21      LEU 158  -2.302 -13.935   2.417
  428   2HD2  LEU 158          HD22      LEU 158  -3.155 -12.509   1.824
  429   3HD2  LEU 158          HD23      LEU 158  -3.901 -14.103   1.691
  430    H    LEU 159           HN       LEU 159  -2.887  -9.928  -1.173
  431    HA   LEU 159           HA       LEU 159  -2.672 -11.131  -3.827
  432   1HB   LEU 159          HB2       LEU 159  -4.817  -9.563  -2.428
  433   2HB   LEU 159          HB3       LEU 159  -4.761  -9.593  -4.177
  434    HG   LEU 159           HG       LEU 159  -5.065 -12.010  -4.183
  435   1HD1  LEU 159          HD11      LEU 159  -3.891 -12.569  -2.135
  436   2HD1  LEU 159          HD12      LEU 159  -5.144 -11.774  -1.181
  437   3HD1  LEU 159          HD13      LEU 159  -5.528 -13.225  -2.110
  438   1HD2  LEU 159          HD21      LEU 159  -7.339 -12.082  -3.458
  439   2HD2  LEU 159          HD22      LEU 159  -7.083 -10.739  -2.342
  440   3HD2  LEU 159          HD23      LEU 159  -7.024 -10.463  -4.088
  441    H    PHE 160           HN       PHE 160  -2.162  -8.290  -1.909
  442    HA   PHE 160           HA       PHE 160  -1.823  -6.582  -4.219
  443   1HB   PHE 160          HB2       PHE 160  -1.654  -5.966  -1.263
  444   2HB   PHE 160          HB3       PHE 160  -1.454  -4.770  -2.534
  445    HD1  PHE 160           HD1      PHE 160  -3.861  -7.093  -0.971
  446    HD2  PHE 160           HD2      PHE 160  -3.311  -3.787  -3.596
  447    HE1  PHE 160           HE1      PHE 160  -6.287  -6.694  -0.970
  448    HE2  PHE 160           HE2      PHE 160  -5.739  -3.385  -3.600
  449    HZ   PHE 160           HZ       PHE 160  -7.228  -4.840  -2.287
  450    H    GLN 161           HN       GLN 161  -0.041  -8.571  -2.223
  451    HA   GLN 161           HA       GLN 161   2.450  -7.582  -1.847
  452   1HB   GLN 161          HB2       GLN 161   1.652 -10.324  -2.762
  453   2HB   GLN 161          HB3       GLN 161   3.303  -9.917  -2.319
  454   1HG   GLN 161          HG2       GLN 161   2.457  -9.190  -0.096
  455   2HG   GLN 161          HG3       GLN 161   0.874  -9.813  -0.556
  456   1HE2  GLN 161          HE21      GLN 161   2.646 -10.633   1.609
  457   2HE2  GLN 161          HE22      GLN 161   2.963 -12.311   1.362
  458    H    ASN 162           HN       ASN 162   1.072  -8.238  -4.980
  459    HA   ASN 162           HA       ASN 162   3.717  -8.050  -6.262
  460   1HB   ASN 162          HB2       ASN 162   1.022  -8.903  -7.355
  461   2HB   ASN 162          HB3       ASN 162   2.461  -8.711  -8.344
  462   1HD2  ASN 162          HD21      ASN 162   2.577 -10.004  -5.106
  463   2HD2  ASN 162          HD22      ASN 162   2.927 -11.639  -5.553
  464    H    ILE 163           HN       ILE 163   1.327  -6.169  -5.216
  465    HA   ILE 163           HA       ILE 163   1.363  -4.270  -7.446
  466    HB   ILE 163           HB       ILE 163  -0.360  -4.552  -4.964
  467   1HG1  ILE 163          HG12      ILE 163  -1.081  -4.628  -7.893
  468   2HG1  ILE 163          HG13      ILE 163  -0.943  -6.021  -6.823
  469   1HG2  ILE 163          HG21      ILE 163  -1.548  -2.570  -5.454
  470   2HG2  ILE 163          HG22      ILE 163   0.166  -2.157  -5.433
  471   3HG2  ILE 163          HG23      ILE 163  -0.682  -2.343  -6.969
  472   1HD1  ILE 163          HD11      ILE 163  -3.263  -5.372  -7.190
  473   2HD1  ILE 163          HD12      ILE 163  -2.799  -5.206  -5.495
  474   3HD1  ILE 163          HD13      ILE 163  -2.918  -3.776  -6.521
  475    H    ASP 164           HN       ASP 164   2.809  -2.862  -7.502
  476    HA   ASP 164           HA       ASP 164   4.072  -1.810  -5.106
  477   1HB   ASP 164          HB2       ASP 164   4.412  -0.828  -7.953
  478   2HB   ASP 164          HB3       ASP 164   5.466  -0.512  -6.587
  479    H    GLY 165           HN       GLY 165   4.328   0.768  -5.291
  480   1HA   GLY 165          HA1       GLY 165   1.801   1.923  -4.874
  481   2HA   GLY 165          HA2       GLY 165   3.290   2.812  -5.156
  482    H    LYS 166           HN       LYS 166   3.628   1.396  -7.760
  483    HA   LYS 166           HA       LYS 166   2.362   3.353  -9.425
  484   1HB   LYS 166          HB2       LYS 166   3.368   2.046 -11.267
  485   2HB   LYS 166          HB3       LYS 166   4.551   2.338  -9.998
  486   1HG   LYS 166          HG2       LYS 166   4.959   0.151 -10.176
  487   2HG   LYS 166          HG3       LYS 166   3.509   0.005  -9.174
  488   1HD   LYS 166          HD2       LYS 166   2.156  -0.239 -11.226
  489   2HD   LYS 166          HD3       LYS 166   3.643  -0.219 -12.180
  490   1HE   LYS 166          HE2       LYS 166   4.435  -2.201 -11.080
  491   2HE   LYS 166          HE3       LYS 166   3.069  -2.180  -9.970
  492   1HZ   LYS 166          HZ1       LYS 166   2.986  -2.702 -12.895
  493   2HZ   LYS 166          HZ2       LYS 166   1.602  -2.502 -11.930
  494   3HZ   LYS 166          HZ3       LYS 166   2.656  -3.801 -11.645
  495    H    GLU 167           HN       GLU 167   1.570   0.250  -8.234
  496    HA   GLU 167           HA       GLU 167  -0.376  -0.191 -10.329
  497   1HB   GLU 167          HB2       GLU 167   1.193  -1.991  -9.551
  498   2HB   GLU 167          HB3       GLU 167   0.361  -1.979  -8.008
  499   1HG   GLU 167          HG2       GLU 167  -0.781  -3.665  -8.960
  500   2HG   GLU 167          HG3       GLU 167  -1.734  -2.338  -9.625
  501    H    LEU 168           HN       LEU 168  -0.070   0.645  -6.948
  502    HA   LEU 168           HA       LEU 168  -2.895   0.335  -6.394
  503   1HB   LEU 168          HB2       LEU 168  -0.916  -0.126  -4.783
  504   2HB   LEU 168          HB3       LEU 168  -0.816   1.616  -4.621
  505    HG   LEU 168           HG       LEU 168  -3.237   1.556  -3.865
  506   1HD1  LEU 168          HD11      LEU 168  -4.008  -0.598  -2.947
  507   2HD1  LEU 168          HD12      LEU 168  -3.834  -0.637  -4.703
  508   3HD1  LEU 168          HD13      LEU 168  -2.611  -1.389  -3.678
  509   1HD2  LEU 168          HD21      LEU 168  -2.644   0.928  -1.586
  510   2HD2  LEU 168          HD22      LEU 168  -1.189   0.123  -2.175
  511   3HD2  LEU 168          HD23      LEU 168  -1.354   1.872  -2.332
  512    H    CYS 169           HN       CYS 169  -0.723   2.858  -7.288
  513    HA   CYS 169           HA       CYS 169  -2.473   5.058  -6.735
  514   1HB   CYS 169          HB2       CYS 169  -0.215   5.608  -7.057
  515   2HB   CYS 169          HB3       CYS 169  -0.116   4.664  -8.552
  516    HG   CYS 169           HG       CYS 169  -2.353   6.684  -9.371
  517    H    LYS 170           HN       LYS 170  -2.407   2.526  -9.157
  518    HA   LYS 170           HA       LYS 170  -4.157   3.993 -11.056
  519   1HB   LYS 170          HB2       LYS 170  -2.732   1.337 -11.129
  520   2HB   LYS 170          HB3       LYS 170  -3.848   1.908 -12.356
  521   1HG   LYS 170          HG2       LYS 170  -2.340   3.773 -12.846
  522   2HG   LYS 170          HG3       LYS 170  -1.210   3.161 -11.631
  523   1HD   LYS 170          HD2       LYS 170  -0.953   1.094 -12.858
  524   2HD   LYS 170          HD3       LYS 170  -2.166   1.606 -14.032
  525   1HE   LYS 170          HE2       LYS 170  -0.694   3.510 -14.636
  526   2HE   LYS 170          HE3       LYS 170   0.535   2.851 -13.553
  527   1HZ   LYS 170          HZ1       LYS 170  -0.631   1.367 -15.845
  528   2HZ   LYS 170          HZ2       LYS 170   0.677   0.886 -14.875
  529   3HZ   LYS 170          HZ3       LYS 170   0.832   2.223 -15.910
  530    H    MET 171           HN       MET 171  -4.773   2.646  -8.215
  531    HA   MET 171           HA       MET 171  -6.752   0.740  -9.193
  532   1HB   MET 171          HB2       MET 171  -6.083   1.489  -6.355
  533   2HB   MET 171          HB3       MET 171  -7.144   0.180  -6.856
  534   1HG   MET 171          HG2       MET 171  -4.253   0.319  -7.622
  535   2HG   MET 171          HG3       MET 171  -4.833  -0.425  -6.142
  536   1HE   MET 171          HE1       MET 171  -6.589  -3.605  -7.219
  537   2HE   MET 171          HE2       MET 171  -5.684  -2.786  -5.945
  538   3HE   MET 171          HE3       MET 171  -7.194  -2.095  -6.539
  539    H    THR 172           HN       THR 172  -8.865   1.065  -9.283
  540    HA   THR 172           HA       THR 172  -9.992   3.559  -8.268
  541    HB   THR 172           HB       THR 172 -12.115   2.610  -9.352
  542    HG1  THR 172           HG1      THR 172 -10.214   0.858 -10.553
  543   1HG2  THR 172          HG21      THR 172  -9.712   3.163 -11.105
  544   2HG2  THR 172          HG22      THR 172 -10.787   4.376 -10.408
  545   3HG2  THR 172          HG23      THR 172 -11.398   3.247 -11.618
  546    H    LYS 173           HN       LYS 173 -12.200   3.320  -7.166
  547    HA   LYS 173           HA       LYS 173 -12.017   1.767  -4.855
  548   1HB   LYS 173          HB2       LYS 173 -14.395   2.256  -4.494
  549   2HB   LYS 173          HB3       LYS 173 -13.496   3.690  -4.964
  550   1HG   LYS 173          HG2       LYS 173 -14.383   3.577  -7.195
  551   2HG   LYS 173          HG3       LYS 173 -15.169   2.035  -6.840
  552   1HD   LYS 173          HD2       LYS 173 -16.645   3.077  -5.268
  553   2HD   LYS 173          HD3       LYS 173 -15.762   4.600  -5.371
  554   1HE   LYS 173          HE2       LYS 173 -17.858   4.656  -6.645
  555   2HE   LYS 173          HE3       LYS 173 -16.448   4.876  -7.678
  556   1HZ   LYS 173          HZ1       LYS 173 -16.618   2.607  -8.392
  557   2HZ   LYS 173          HZ2       LYS 173 -18.114   3.362  -8.623
  558   3HZ   LYS 173          HZ3       LYS 173 -17.893   2.302  -7.319
  559    H    ASP 174           HN       ASP 174 -13.061   0.840  -8.054
  560    HA   ASP 174           HA       ASP 174 -14.355  -1.476  -6.931
  561   1HB   ASP 174          HB2       ASP 174 -14.998  -1.959  -9.306
  562   2HB   ASP 174          HB3       ASP 174 -15.571  -0.413  -8.717
  563    H    ASP 175           HN       ASP 175 -11.316  -0.564  -7.873
  564    HA   ASP 175           HA       ASP 175 -10.431  -3.145  -8.876
  565   1HB   ASP 175          HB2       ASP 175  -9.071  -0.514  -8.367
  566   2HB   ASP 175          HB3       ASP 175  -8.118  -1.980  -8.559
  567    H    PHE 176           HN       PHE 176 -10.344  -1.318  -5.869
  568    HA   PHE 176           HA       PHE 176  -8.752  -3.349  -4.619
  569   1HB   PHE 176          HB2       PHE 176 -10.503  -1.160  -3.448
  570   2HB   PHE 176          HB3       PHE 176  -9.724  -2.353  -2.425
  571    HD1  PHE 176           HD1      PHE 176  -9.043   0.360  -4.854
  572    HD2  PHE 176           HD2      PHE 176  -7.555  -2.051  -1.684
  573    HE1  PHE 176           HE1      PHE 176  -7.067   1.816  -4.669
  574    HE2  PHE 176           HE2      PHE 176  -5.582  -0.602  -1.499
  575    HZ   PHE 176           HZ       PHE 176  -5.338   1.337  -2.992
  576    H    GLN 177           HN       GLN 177 -12.041  -2.989  -5.444
  577    HA   GLN 177           HA       GLN 177 -13.086  -4.832  -3.560
  578   1HB   GLN 177          HB2       GLN 177 -14.108  -3.811  -6.187
  579   2HB   GLN 177          HB3       GLN 177 -14.981  -5.004  -5.235
  580   1HG   GLN 177          HG2       GLN 177 -14.436  -3.111  -3.365
  581   2HG   GLN 177          HG3       GLN 177 -14.654  -2.140  -4.816
  582   1HE2  GLN 177          HE21      GLN 177 -16.294  -2.510  -2.352
  583   2HE2  GLN 177          HE22      GLN 177 -17.873  -2.959  -2.901
  584    H    ARG 178           HN       ARG 178 -11.994  -5.269  -6.943
  585    HA   ARG 178           HA       ARG 178 -12.564  -7.955  -7.143
  586   1HB   ARG 178          HB2       ARG 178 -11.096  -8.056  -8.991
  587   2HB   ARG 178          HB3       ARG 178 -11.755  -6.428  -8.971
  588   1HG   ARG 178          HG2       ARG 178  -9.681  -5.630  -7.913
  589   2HG   ARG 178          HG3       ARG 178  -9.024  -7.264  -8.023
  590   1HD   ARG 178          HD2       ARG 178  -8.161  -6.101  -9.882
  591   2HD   ARG 178          HD3       ARG 178  -9.451  -7.123 -10.515
  592    HE   ARG 178           HE       ARG 178  -9.527  -4.202 -10.199
  593   1HH1  ARG 178          HH12      ARG 178 -11.001  -7.135 -11.437
  594   2HH1  ARG 178          HH11      ARG 178 -12.170  -6.282 -12.400
  595   1HH2  ARG 178          HH22      ARG 178 -11.040  -3.100 -11.461
  596   2HH2  ARG 178          HH21      ARG 178 -12.207  -3.989 -12.396
  597    H    LEU 179           HN       LEU 179 -10.361  -6.623  -4.999
  598    HA   LEU 179           HA       LEU 179  -9.106  -9.268  -4.621
  599   1HB   LEU 179          HB2       LEU 179  -7.940  -6.564  -3.931
  600   2HB   LEU 179          HB3       LEU 179  -7.180  -8.113  -3.618
  601    HG   LEU 179           HG       LEU 179  -7.771  -6.970  -6.351
  602   1HD1  LEU 179          HD11      LEU 179  -5.181  -7.298  -4.849
  603   2HD1  LEU 179          HD12      LEU 179  -5.332  -6.789  -6.532
  604   3HD1  LEU 179          HD13      LEU 179  -5.982  -5.776  -5.242
  605   1HD2  LEU 179          HD21      LEU 179  -6.301  -9.484  -5.568
  606   2HD2  LEU 179          HD22      LEU 179  -7.902  -9.414  -6.305
  607   3HD2  LEU 179          HD23      LEU 179  -6.493  -8.858  -7.205
  608    H    THR 180           HN       THR 180 -10.893  -6.679  -3.345
  609    HA   THR 180           HA       THR 180 -11.526  -8.011  -0.886
  610    HB   THR 180           HB       THR 180  -9.913  -5.445  -0.857
  611    HG1  THR 180           HG1      THR 180  -9.169  -7.958  -0.696
  612   1HG2  THR 180          HG21      THR 180 -10.224  -5.471   1.578
  613   2HG2  THR 180          HG22      THR 180 -11.322  -6.842   1.416
  614   3HG2  THR 180          HG23      THR 180 -11.753  -5.281   0.720
  615    HA   PRO 181           HA       PRO 181 -14.625  -5.511  -3.054
  616   1HB   PRO 181          HB2       PRO 181 -16.635  -7.365  -2.108
  617   2HB   PRO 181          HB3       PRO 181 -16.034  -7.121  -3.748
  618   1HG   PRO 181          HG2       PRO 181 -15.560  -9.376  -2.267
  619   2HG   PRO 181          HG3       PRO 181 -14.502  -8.807  -3.570
  620   1HD   PRO 181          HD2       PRO 181 -14.192  -8.528  -0.611
  621   2HD   PRO 181          HD3       PRO 181 -12.958  -8.832  -1.854
  622    H    SER 182           HN       SER 182 -16.171  -7.045  -0.288
  623    HA   SER 182           HA       SER 182 -18.304  -5.694   0.072
  624   1HB   SER 182          HB2       SER 182 -16.510  -6.030   2.463
  625   2HB   SER 182          HB3       SER 182 -18.272  -6.063   2.406
  626    HG   SER 182           HG       SER 182 -16.762  -8.131   2.291
  627    H    TYR 183           HN       TYR 183 -15.902  -4.314   2.307
  628    HA   TYR 183           HA       TYR 183 -16.816  -1.652   1.502
  629   1HB   TYR 183          HB2       TYR 183 -17.178  -1.159   3.998
  630   2HB   TYR 183          HB3       TYR 183 -18.413  -2.093   3.160
  631    HD1  TYR 183           HD1      TYR 183 -15.659  -2.263   5.613
  632    HD2  TYR 183           HD2      TYR 183 -18.818  -4.387   3.714
  633    HE1  TYR 183           HE1      TYR 183 -15.429  -4.074   7.263
  634    HE2  TYR 183           HE2      TYR 183 -18.596  -6.199   5.354
  635    HH   TYR 183           HH       TYR 183 -16.657  -7.088   6.842
  636    H    ASN 184           HN       ASN 184 -14.184  -3.340   1.781
  637    HA   ASN 184           HA       ASN 184 -12.740  -1.504   3.551
  638   1HB   ASN 184          HB2       ASN 184 -11.836  -4.095   2.288
  639   2HB   ASN 184          HB3       ASN 184 -10.838  -3.087   3.331
  640   1HD2  ASN 184          HD21      ASN 184 -13.078  -2.417   5.131
  641   2HD2  ASN 184          HD22      ASN 184 -13.383  -3.840   6.043
  642    H    ALA 185           HN       ALA 185 -13.276  -2.168   0.255
  643    HA   ALA 185           HA       ALA 185 -11.021  -1.061  -0.994
  644   1HB   ALA 185          HB1       ALA 185 -13.929  -0.869  -1.767
  645   2HB   ALA 185          HB2       ALA 185 -12.555  -0.554  -2.827
  646   3HB   ALA 185          HB3       ALA 185 -12.825  -2.177  -2.192
  647    H    ASP 186           HN       ASP 186 -14.082   0.462  -0.059
  648    HA   ASP 186           HA       ASP 186 -13.335   3.126  -0.497
  649   1HB   ASP 186          HB2       ASP 186 -15.664   2.268  -0.390
  650   2HB   ASP 186          HB3       ASP 186 -15.476   2.036   1.343
  651    H    ILE 187           HN       ILE 187 -12.171   1.123   1.908
  652    HA   ILE 187           HA       ILE 187 -11.945   3.258   3.885
  653    HB   ILE 187           HB       ILE 187 -10.786   0.454   3.958
  654   1HG1  ILE 187          HG12      ILE 187 -13.252   0.439   4.024
  655   2HG1  ILE 187          HG13      ILE 187 -12.565  -0.057   5.567
  656   1HG2  ILE 187          HG21      ILE 187 -10.971   2.576   6.091
  657   2HG2  ILE 187          HG22      ILE 187 -10.423   0.917   6.348
  658   3HG2  ILE 187          HG23      ILE 187  -9.504   1.998   5.302
  659   1HD1  ILE 187          HD11      ILE 187 -14.480   1.400   5.875
  660   2HD1  ILE 187          HD12      ILE 187 -13.008   2.161   6.478
  661   3HD1  ILE 187          HD13      ILE 187 -13.689   2.663   4.931
  662    H    LEU 188           HN       LEU 188  -9.765   1.004   2.267
  663    HA   LEU 188           HA       LEU 188  -7.344   2.243   2.751
  664   1HB   LEU 188          HB2       LEU 188  -8.048   0.739   0.260
  665   2HB   LEU 188          HB3       LEU 188  -6.460   0.991   0.971
  666    HG   LEU 188           HG       LEU 188  -8.655  -0.516   2.390
  667   1HD1  LEU 188          HD11      LEU 188  -7.578  -2.567   1.681
  668   2HD1  LEU 188          HD12      LEU 188  -8.131  -1.645   0.282
  669   3HD1  LEU 188          HD13      LEU 188  -6.421  -1.646   0.716
  670   1HD2  LEU 188          HD21      LEU 188  -6.822  -1.380   3.726
  671   2HD2  LEU 188          HD22      LEU 188  -5.667  -0.444   2.776
  672   3HD2  LEU 188          HD23      LEU 188  -6.855   0.383   3.785
  673    H    LEU 189           HN       LEU 189  -9.633   2.766   0.043
  674    HA   LEU 189           HA       LEU 189  -7.725   4.235  -1.545
  675   1HB   LEU 189          HB2       LEU 189  -9.677   2.843  -2.397
  676   2HB   LEU 189          HB3       LEU 189 -10.705   4.165  -1.879
  677    HG   LEU 189           HG       LEU 189  -9.361   5.684  -3.369
  678   1HD1  LEU 189          HD11      LEU 189  -8.295   3.068  -4.431
  679   2HD1  LEU 189          HD12      LEU 189  -8.051   4.659  -5.154
  680   3HD1  LEU 189          HD13      LEU 189  -7.365   4.295  -3.569
  681   1HD2  LEU 189          HD21      LEU 189 -10.495   4.972  -5.410
  682   2HD2  LEU 189          HD22      LEU 189 -10.825   3.400  -4.682
  683   3HD2  LEU 189          HD23      LEU 189 -11.560   4.855  -4.008
  684    H    SER 190           HN       SER 190  -9.783   5.006   1.073
  685    HA   SER 190           HA       SER 190 -10.153   7.754   0.153
  686   1HB   SER 190          HB2       SER 190 -11.247   6.332   2.602
  687   2HB   SER 190          HB3       SER 190 -11.626   7.989   2.128
  688    HG   SER 190           HG       SER 190 -12.779   5.730   1.312
  689    H    HIS 191           HN       HIS 191  -8.129   5.769   1.931
  690    HA   HIS 191           HA       HIS 191  -6.966   7.938   3.481
  691   1HB   HIS 191          HB2       HIS 191  -6.418   4.990   3.227
  692   2HB   HIS 191          HB3       HIS 191  -5.307   6.055   4.080
  693    HD2  HIS 191           HD2      HIS 191  -7.160   7.758   5.949
  694    HE1  HIS 191           HE1      HIS 191  -9.221   4.184   6.870
  695    HE2  HIS 191           HE2      HIS 191  -9.035   6.659   7.368
  696    H    LEU 192           HN       LEU 192  -6.326   5.895   0.708
  697    HA   LEU 192           HA       LEU 192  -3.642   6.557   0.431
  698   1HB   LEU 192          HB2       LEU 192  -5.042   4.644  -0.608
  699   2HB   LEU 192          HB3       LEU 192  -5.367   5.794  -1.897
  700    HG   LEU 192           HG       LEU 192  -2.732   6.028  -1.871
  701   1HD1  LEU 192          HD11      LEU 192  -3.199   3.248  -0.820
  702   2HD1  LEU 192          HD12      LEU 192  -1.661   3.890  -1.399
  703   3HD1  LEU 192          HD13      LEU 192  -2.416   4.575   0.040
  704   1HD2  LEU 192          HD21      LEU 192  -4.161   3.706  -3.155
  705   2HD2  LEU 192          HD22      LEU 192  -4.077   5.350  -3.790
  706   3HD2  LEU 192          HD23      LEU 192  -2.609   4.384  -3.650
  707    H    HIS 193           HN       HIS 193  -6.525   7.732  -1.229
  708    HA   HIS 193           HA       HIS 193  -5.257   9.464  -3.018
  709   1HB   HIS 193          HB2       HIS 193  -7.363  10.299  -3.575
  710   2HB   HIS 193          HB3       HIS 193  -7.742   8.701  -2.944
  711    HD2  HIS 193           HD2      HIS 193  -8.615   8.811  -0.164
  712    HE1  HIS 193           HE1      HIS 193 -10.217  12.685  -0.758
  713    HE2  HIS 193           HE2      HIS 193 -10.377  10.563   0.620
  714    H    TYR 194           HN       TYR 194  -6.376  10.040   0.292
  715    HA   TYR 194           HA       TYR 194  -5.762  12.756   0.462
  716   1HB   TYR 194          HB2       TYR 194  -7.104  11.734   2.160
  717   2HB   TYR 194          HB3       TYR 194  -5.847  10.567   2.543
  718    HD1  TYR 194           HD1      TYR 194  -6.626  14.206   2.670
  719    HD2  TYR 194           HD2      TYR 194  -4.300  11.004   4.232
  720    HE1  TYR 194           HE1      TYR 194  -5.789  15.684   4.451
  721    HE2  TYR 194           HE2      TYR 194  -3.457  12.474   6.011
  722    HH   TYR 194           HH       TYR 194  -4.846  15.495   6.712
  723    H    LEU 195           HN       LEU 195  -3.766   9.900   1.169
  724    HA   LEU 195           HA       LEU 195  -1.501  11.121   2.137
  725   1HB   LEU 195          HB2       LEU 195  -1.797   8.644   0.444
  726   2HB   LEU 195          HB3       LEU 195  -0.389   9.053   1.383
  727    HG   LEU 195           HG       LEU 195  -3.111   8.502   2.515
  728   1HD1  LEU 195          HD11      LEU 195  -2.095   6.464   3.388
  729   2HD1  LEU 195          HD12      LEU 195  -2.047   6.499   1.626
  730   3HD1  LEU 195          HD13      LEU 195  -0.590   6.853   2.556
  731   1HD2  LEU 195          HD21      LEU 195  -1.972   8.551   4.684
  732   2HD2  LEU 195          HD22      LEU 195  -0.477   9.035   3.885
  733   3HD2  LEU 195          HD23      LEU 195  -1.876  10.108   3.863
  734    H    ARG 196           HN       ARG 196  -2.390  10.426  -1.232
  735    HA   ARG 196           HA       ARG 196   0.082  11.559  -2.340
  736   1HB   ARG 196          HB2       ARG 196  -1.326  11.186  -4.497
  737   2HB   ARG 196          HB3       ARG 196  -0.487   9.863  -3.710
  738   1HG   ARG 196          HG2       ARG 196  -2.517   9.077  -2.742
  739   2HG   ARG 196          HG3       ARG 196  -3.390  10.508  -3.301
  740   1HD   ARG 196          HD2       ARG 196  -1.964   8.794  -5.278
  741   2HD   ARG 196          HD3       ARG 196  -3.511   8.262  -4.636
  742    HE   ARG 196           HE       ARG 196  -3.585  10.974  -5.563
  743   1HH1  ARG 196          HH12      ARG 196  -3.750   7.634  -6.640
  744   2HH1  ARG 196          HH11      ARG 196  -4.679   8.006  -8.056
  745   1HH2  ARG 196          HH22      ARG 196  -4.776  11.459  -7.448
  746   2HH2  ARG 196          HH21      ARG 196  -5.273  10.169  -8.512
  747    H    GLU 197           HN       GLU 197  -2.723  13.014  -1.245
  748    HA   GLU 197           HA       GLU 197  -2.798  15.163  -3.061
  749   1HB   GLU 197          HB2       GLU 197  -3.163  15.175  -0.055
  750   2HB   GLU 197          HB3       GLU 197  -3.488  16.558  -1.093
  751   1HG   GLU 197          HG2       GLU 197  -4.876  13.887  -1.193
  752   2HG   GLU 197          HG3       GLU 197  -5.537  15.390  -0.554
  753    H    THR 198           HN       THR 198  -0.551  14.204  -0.599
  754    HA   THR 198           HA       THR 198   1.306  16.309  -1.493
  755    HB   THR 198           HB       THR 198   2.653  15.611   0.544
  756    HG1  THR 198           HG1      THR 198   1.064  13.619   0.663
  757   1HG2  THR 198          HG21      THR 198   1.315  17.652   0.545
  758   2HG2  THR 198          HG22      THR 198   1.262  16.877   2.128
  759   3HG2  THR 198          HG23      THR 198  -0.111  16.732   1.030
  760    HA   PRO 199           HA       PRO 199   3.311  12.709  -3.347
  761   1HB   PRO 199          HB2       PRO 199   4.472  14.002  -5.363
  762   2HB   PRO 199          HB3       PRO 199   2.714  13.818  -5.304
  763   1HG   PRO 199          HG2       PRO 199   4.384  16.217  -4.769
  764   2HG   PRO 199          HG3       PRO 199   2.741  16.113  -5.419
  765   1HD   PRO 199          HD2       PRO 199   3.519  16.646  -2.724
  766   2HD   PRO 199          HD3       PRO 199   1.874  16.431  -3.354
  767    H    LEU 200           HN       LEU 200   5.518  12.053  -3.849
  768    HA   LEU 200           HA       LEU 200   7.526  13.162  -2.085
  769   1HB   LEU 200          HB2       LEU 200   7.101  10.669  -2.865
  770   2HB   LEU 200          HB3       LEU 200   8.072  11.141  -4.243
  771    HG   LEU 200           HG       LEU 200   9.382   9.950  -2.570
  772   1HD1  LEU 200          HD11      LEU 200  10.517  11.617  -3.941
  773   2HD1  LEU 200          HD12      LEU 200  10.142  12.867  -2.756
  774   3HD1  LEU 200          HD13      LEU 200  11.221  11.539  -2.327
  775   1HD2  LEU 200          HD21      LEU 200   8.700  12.243  -0.735
  776   2HD2  LEU 200          HD22      LEU 200   8.099  10.590  -0.599
  777   3HD2  LEU 200          HD23      LEU 200   9.818  10.926  -0.386
  778    HA   PRO 201           HA       PRO 201   8.495  16.176  -5.246
  779   1HB   PRO 201          HB2       PRO 201  10.638  17.002  -3.415
  780   2HB   PRO 201          HB3       PRO 201   9.234  17.910  -3.980
  781   1HG   PRO 201          HG2       PRO 201   9.423  17.041  -1.446
  782   2HG   PRO 201          HG3       PRO 201   7.868  17.102  -2.300
  783   1HD   PRO 201          HD2       PRO 201   9.663  14.749  -1.802
  784   2HD   PRO 201          HD3       PRO 201   7.894  14.866  -1.658
  Start of MODEL    8
    1   1H    GLY 105           H1       GLY 105  15.640 -16.028  16.699
    2   2H    GLY 105           H2       GLY 105  16.356 -15.573  18.166
    3   3H    GLY 105           H3       GLY 105  17.319 -16.137  16.891
    4   1HA   GLY 105          HA2       GLY 105  15.740 -13.626  16.889
    5   2HA   GLY 105          HA1       GLY 105  17.484 -13.735  17.090
    6    H    SER 106           HN       SER 106  16.309 -12.221  15.051
    7    HA   SER 106           HA       SER 106  17.554 -13.364  12.749
    8   1HB   SER 106          HB2       SER 106  15.363 -14.573  12.749
    9   2HB   SER 106          HB3       SER 106  14.545 -13.017  12.633
   10    HG   SER 106           HG       SER 106  14.848 -13.131  10.566
   11    H    HIS 107           HN       HIS 107  18.703 -11.409  12.848
   12    HA   HIS 107           HA       HIS 107  17.287  -8.902  12.558
   13   1HB   HIS 107          HB2       HIS 107  19.449  -9.126  13.821
   14   2HB   HIS 107          HB3       HIS 107  20.258  -9.434  12.291
   15    HD2  HIS 107           HD2      HIS 107  20.845  -7.222  10.781
   16    HE1  HIS 107           HE1      HIS 107  19.118  -4.419  13.440
   17    HE2  HIS 107           HE2      HIS 107  20.394  -4.710  11.269
   18    H    MET 108           HN       MET 108  18.441 -11.377  10.546
   19    HA   MET 108           HA       MET 108  18.958  -9.850   8.200
   20   1HB   MET 108          HB2       MET 108  19.887 -12.092   8.503
   21   2HB   MET 108          HB3       MET 108  18.266 -12.776   8.505
   22   1HG   MET 108          HG2       MET 108  17.950 -12.045   6.202
   23   2HG   MET 108          HG3       MET 108  19.567 -11.345   6.201
   24   1HE   MET 108          HE1       MET 108  18.447 -13.474   4.037
   25   2HE   MET 108          HE2       MET 108  20.030 -12.697   3.972
   26   3HE   MET 108          HE3       MET 108  19.901 -14.451   3.836
   27    H    GLU 109           HN       GLU 109  17.438  -8.627   7.355
   28    HA   GLU 109           HA       GLU 109  14.699  -9.639   7.117
   29   1HB   GLU 109          HB2       GLU 109  14.775  -7.468   8.100
   30   2HB   GLU 109          HB3       GLU 109  15.901  -6.881   6.889
   31   1HG   GLU 109          HG2       GLU 109  13.762  -5.936   6.455
   32   2HG   GLU 109          HG3       GLU 109  14.119  -7.103   5.188
   33    H    GLU 110           HN       GLU 110  17.017  -7.794   5.158
   34    HA   GLU 110           HA       GLU 110  17.658  -7.909   2.995
   35   1HB   GLU 110          HB2       GLU 110  16.964 -10.573   3.575
   36   2HB   GLU 110          HB3       GLU 110  16.219 -10.206   2.026
   37   1HG   GLU 110          HG2       GLU 110  18.486 -11.173   1.841
   38   2HG   GLU 110          HG3       GLU 110  18.328  -9.588   1.083
   39    H    LYS 111           HN       LYS 111  14.403  -9.348   2.836
   40    HA   LYS 111           HA       LYS 111  12.455  -8.645   1.920
   41   1HB   LYS 111          HB2       LYS 111  13.781  -6.155   2.646
   42   2HB   LYS 111          HB3       LYS 111  12.678  -5.968   1.289
   43   1HG   LYS 111          HG2       LYS 111  10.830  -6.654   2.545
   44   2HG   LYS 111          HG3       LYS 111  11.839  -7.350   3.813
   45   1HD   LYS 111          HD2       LYS 111  12.500  -5.197   4.579
   46   2HD   LYS 111          HD3       LYS 111  11.793  -4.409   3.169
   47   1HE   LYS 111          HE2       LYS 111  10.461  -4.212   5.283
   48   2HE   LYS 111          HE3       LYS 111   9.587  -4.878   3.906
   49   1HZ   LYS 111          HZ1       LYS 111   9.174  -6.072   6.004
   50   2HZ   LYS 111          HZ2       LYS 111  10.808  -6.519   6.068
   51   3HZ   LYS 111          HZ3       LYS 111   9.826  -7.072   4.799
   52    H    HIS 112           HN       HIS 112  11.527  -8.579  -0.057
   53    HA   HIS 112           HA       HIS 112  13.316  -8.685  -2.323
   54   1HB   HIS 112          HB2       HIS 112  10.356  -9.163  -2.006
   55   2HB   HIS 112          HB3       HIS 112  11.132  -9.133  -3.585
   56    HD2  HIS 112           HD2      HIS 112  11.222 -11.296  -0.304
   57    HE1  HIS 112           HE1      HIS 112  12.758 -13.525  -3.559
   58    HE2  HIS 112           HE2      HIS 112  12.300 -13.537  -1.063
   59    H    MET 113           HN       MET 113  13.946  -6.418  -2.020
   60    HA   MET 113           HA       MET 113  12.158  -4.704  -3.591
   61   1HB   MET 113          HB2       MET 113  12.993  -2.757  -2.193
   62   2HB   MET 113          HB3       MET 113  11.859  -3.848  -1.414
   63   1HG   MET 113          HG2       MET 113  13.662  -4.915  -0.209
   64   2HG   MET 113          HG3       MET 113  14.846  -3.917  -1.045
   65   1HE   MET 113          HE1       MET 113  11.318  -2.763   0.252
   66   2HE   MET 113          HE2       MET 113  11.831  -3.945   1.455
   67   3HE   MET 113          HE3       MET 113  11.705  -2.241   1.891
   68    HA   PRO 114           HA       PRO 114  16.291  -4.860  -5.684
   69   1HB   PRO 114          HB2       PRO 114  14.430  -4.527  -7.971
   70   2HB   PRO 114          HB3       PRO 114  15.815  -5.608  -7.793
   71   1HG   PRO 114          HG2       PRO 114  13.310  -6.537  -7.665
   72   2HG   PRO 114          HG3       PRO 114  14.595  -7.199  -6.638
   73   1HD   PRO 114          HD2       PRO 114  12.396  -5.299  -5.938
   74   2HD   PRO 114          HD3       PRO 114  13.089  -6.624  -4.979
   75    HA   PRO 115           HA       PRO 115  15.236  -0.411  -6.818
   76   1HB   PRO 115          HB2       PRO 115  12.626   0.303  -7.366
   77   2HB   PRO 115          HB3       PRO 115  13.792  -0.244  -8.572
   78   1HG   PRO 115          HG2       PRO 115  11.418  -1.577  -7.687
   79   2HG   PRO 115          HG3       PRO 115  12.598  -2.128  -8.886
   80   1HD   PRO 115          HD2       PRO 115  12.331  -2.859  -6.033
   81   2HD   PRO 115          HD3       PRO 115  13.071  -3.763  -7.371
   82    HA   PRO 116           HA       PRO 116  14.090   0.453  -2.516
   83   1HB   PRO 116          HB2       PRO 116  15.523   2.965  -3.181
   84   2HB   PRO 116          HB3       PRO 116  15.769   1.853  -1.830
   85   1HG   PRO 116          HG2       PRO 116  17.494   1.943  -3.863
   86   2HG   PRO 116          HG3       PRO 116  17.071   0.406  -3.086
   87   1HD   PRO 116          HD2       PRO 116  16.133   1.535  -5.694
   88   2HD   PRO 116          HD3       PRO 116  16.544  -0.141  -5.272
   89    H    ASN 117           HN       ASN 117  13.756   2.579  -5.293
   90    HA   ASN 117           HA       ASN 117  12.004   3.819  -6.045
   91   1HB   ASN 117          HB2       ASN 117  10.668   2.527  -3.692
   92   2HB   ASN 117          HB3       ASN 117   9.863   3.843  -4.544
   93   1HD2  ASN 117          HD21      ASN 117   8.234   2.307  -5.002
   94   2HD2  ASN 117          HD22      ASN 117   8.411   1.176  -6.302
   95    H    MET 118           HN       MET 118  12.012   4.105  -2.503
   96    HA   MET 118           HA       MET 118  12.071   7.023  -2.817
   97   1HB   MET 118          HB2       MET 118  10.304   7.185  -1.075
   98   2HB   MET 118          HB3       MET 118   9.751   6.458  -2.576
   99   1HG   MET 118          HG2       MET 118   8.788   5.141  -0.932
  100   2HG   MET 118          HG3       MET 118  10.196   4.213  -1.439
  101   1HE   MET 118          HE1       MET 118   8.460   3.854   1.247
  102   2HE   MET 118          HE2       MET 118   9.814   2.778   0.902
  103   3HE   MET 118          HE3       MET 118   9.702   3.577   2.471
  104    H    THR 119           HN       THR 119  12.212   8.016  -0.512
  105    HA   THR 119           HA       THR 119  13.979   6.413   1.199
  106    HB   THR 119           HB       THR 119  15.221   8.658   1.591
  107    HG1  THR 119           HG1      THR 119  14.179  10.169   0.451
  108   1HG2  THR 119          HG21      THR 119  16.746   8.208  -0.295
  109   2HG2  THR 119          HG22      THR 119  15.530   7.146  -1.008
  110   3HG2  THR 119          HG23      THR 119  16.269   6.727   0.538
  111    H    THR 120           HN       THR 120  11.220   6.848   1.591
  112    HA   THR 120           HA       THR 120  11.261   8.554   3.979
  113    HB   THR 120           HB       THR 120   8.974   8.574   1.977
  114    HG1  THR 120           HG1      THR 120  11.315  10.092   2.196
  115   1HG2  THR 120          HG21      THR 120   8.186  10.477   3.292
  116   2HG2  THR 120          HG22      THR 120   9.565  10.319   4.379
  117   3HG2  THR 120          HG23      THR 120   8.344   9.048   4.314
  118    H    ASN 121           HN       ASN 121  11.268   6.767   5.340
  119    HA   ASN 121           HA       ASN 121   8.721   5.841   6.092
  120   1HB   ASN 121          HB2       ASN 121   8.760   3.534   5.578
  121   2HB   ASN 121          HB3       ASN 121   9.211   4.332   4.076
  122   1HD2  ASN 121          HD21      ASN 121  10.194   2.208   6.607
  123   2HD2  ASN 121          HD22      ASN 121  11.734   1.780   5.939
  124    H    GLU 122           HN       GLU 122   8.772   4.936   8.184
  125    HA   GLU 122           HA       GLU 122  11.116   4.121   9.535
  126   1HB   GLU 122          HB2       GLU 122  11.720   6.510   9.149
  127   2HB   GLU 122          HB3       GLU 122  10.305   6.984  10.076
  128   1HG   GLU 122          HG2       GLU 122  12.344   7.116  11.398
  129   2HG   GLU 122          HG3       GLU 122  11.218   5.929  12.057
  130    H    ARG 123           HN       ARG 123  10.618   3.223  11.474
  131    HA   ARG 123           HA       ARG 123   9.417   2.392  13.197
  132   1HB   ARG 123          HB2       ARG 123   8.084   5.097  13.056
  133   2HB   ARG 123          HB3       ARG 123   7.785   3.922  14.332
  134   1HG   ARG 123          HG2       ARG 123  10.223   3.976  14.851
  135   2HG   ARG 123          HG3       ARG 123  10.386   5.299  13.695
  136   1HD   ARG 123          HD2       ARG 123   8.620   5.301  16.137
  137   2HD   ARG 123          HD3       ARG 123  10.186   6.099  16.006
  138    HE   ARG 123           HE       ARG 123   8.892   7.233  13.983
  139   1HH1  ARG 123          HH12      ARG 123   7.812   6.578  17.239
  140   2HH1  ARG 123          HH11      ARG 123   6.788   7.979  17.327
  141   1HH2  ARG 123          HH22      ARG 123   7.582   9.073  14.073
  142   2HH2  ARG 123          HH21      ARG 123   6.665   9.422  15.510
  143    H    ARG 124           HN       ARG 124   6.636   4.238  12.123
  144    HA   ARG 124           HA       ARG 124   5.172   1.857  11.421
  145   1HB   ARG 124          HB2       ARG 124   3.402   3.424  10.716
  146   2HB   ARG 124          HB3       ARG 124   3.981   3.816  12.329
  147   1HG   ARG 124          HG2       ARG 124   5.238   5.675  11.498
  148   2HG   ARG 124          HG3       ARG 124   4.903   5.216   9.829
  149   1HD   ARG 124          HD2       ARG 124   3.473   7.053  10.457
  150   2HD   ARG 124          HD3       ARG 124   2.502   5.598  10.238
  151    HE   ARG 124           HE       ARG 124   3.349   6.140  12.963
  152   1HH1  ARG 124          HH12      ARG 124   0.816   6.494  10.546
  153   2HH1  ARG 124          HH11      ARG 124  -0.422   6.801  11.717
  154   1HH2  ARG 124          HH22      ARG 124   1.708   6.526  14.489
  155   2HH2  ARG 124          HH21      ARG 124   0.075   6.807  13.964
  156    H    VAL 125           HN       VAL 125   3.949   2.789   8.956
  157    HA   VAL 125           HA       VAL 125   6.100   2.320   7.162
  158    HB   VAL 125           HB       VAL 125   4.550   2.562   5.336
  159   1HG1  VAL 125          HG11      VAL 125   3.206   1.176   7.644
  160   2HG1  VAL 125          HG12      VAL 125   2.948   0.863   5.928
  161   3HG1  VAL 125          HG13      VAL 125   4.508   0.500   6.662
  162   1HG2  VAL 125          HG21      VAL 125   2.520   3.533   7.342
  163   2HG2  VAL 125          HG22      VAL 125   3.293   4.517   6.092
  164   3HG2  VAL 125          HG23      VAL 125   2.228   3.186   5.634
  165    H    ILE 126           HN       ILE 126   4.234   5.063   8.059
  166    HA   ILE 126           HA       ILE 126   4.161   7.214   7.118
  167    HB   ILE 126           HB       ILE 126   5.439   7.223   9.276
  168   1HG1  ILE 126          HG12      ILE 126   6.436   9.521   8.854
  169   2HG1  ILE 126          HG13      ILE 126   6.015   9.274   7.163
  170   1HG2  ILE 126          HG21      ILE 126   7.839   7.338   7.465
  171   2HG2  ILE 126          HG22      ILE 126   7.852   7.665   9.198
  172   3HG2  ILE 126          HG23      ILE 126   7.441   6.056   8.607
  173   1HD1  ILE 126          HD11      ILE 126   3.667   9.071   7.759
  174   2HD1  ILE 126          HD12      ILE 126   4.076   9.299   9.460
  175   3HD1  ILE 126          HD13      ILE 126   4.338  10.608   8.307
  176    H    VAL 127           HN       VAL 127   4.596   5.614   5.096
  177    HA   VAL 127           HA       VAL 127   7.028   5.956   3.674
  178    HB   VAL 127           HB       VAL 127   5.497   4.923   1.791
  179   1HG1  VAL 127          HG11      VAL 127   7.255   3.700   3.002
  180   2HG1  VAL 127          HG12      VAL 127   6.127   3.401   4.323
  181   3HG1  VAL 127          HG13      VAL 127   5.831   2.692   2.735
  182   1HG2  VAL 127          HG21      VAL 127   3.398   5.475   2.995
  183   2HG2  VAL 127          HG22      VAL 127   3.560   3.756   2.630
  184   3HG2  VAL 127          HG23      VAL 127   3.868   4.343   4.263
  185    HA   PRO 128           HA       PRO 128   6.514   9.527   1.164
  186   1HB   PRO 128          HB2       PRO 128   5.764   8.398  -1.357
  187   2HB   PRO 128          HB3       PRO 128   7.317   9.085  -0.889
  188   1HG   PRO 128          HG2       PRO 128   6.535   6.307  -1.154
  189   2HG   PRO 128          HG3       PRO 128   8.152   6.997  -0.959
  190   1HD   PRO 128          HD2       PRO 128   6.803   5.531   0.971
  191   2HD   PRO 128          HD3       PRO 128   8.152   6.635   1.288
  192    H    ALA 129           HN       ALA 129   4.844  10.732   1.487
  193    HA   ALA 129           HA       ALA 129   2.202  10.232   1.577
  194   1HB   ALA 129          HB1       ALA 129   3.421  12.699   0.349
  195   2HB   ALA 129          HB2       ALA 129   1.809  12.566   1.053
  196   3HB   ALA 129          HB3       ALA 129   3.236  12.397   2.077
  197    H    ASP 130           HN       ASP 130   4.125  10.477  -1.346
  198    HA   ASP 130           HA       ASP 130   1.780   9.889  -3.007
  199   1HB   ASP 130          HB2       ASP 130   4.322  11.065  -3.476
  200   2HB   ASP 130          HB3       ASP 130   4.279   9.551  -4.368
  201    HA   PRO 131           HA       PRO 131   2.443   5.646  -1.803
  202   1HB   PRO 131          HB2       PRO 131   0.099   5.310  -3.576
  203   2HB   PRO 131          HB3       PRO 131   0.309   4.838  -1.886
  204   1HG   PRO 131          HG2       PRO 131  -1.250   6.901  -2.553
  205   2HG   PRO 131          HG3       PRO 131  -0.249   6.938  -1.091
  206   1HD   PRO 131          HD2       PRO 131   0.226   8.231  -3.743
  207   2HD   PRO 131          HD3       PRO 131   0.498   8.878  -2.111
  208    H    THR 132           HN       THR 132   2.523   7.161  -4.781
  209    HA   THR 132           HA       THR 132   2.482   5.174  -6.685
  210    HB   THR 132           HB       THR 132   3.992   6.817  -7.962
  211    HG1  THR 132           HG1      THR 132   3.300   8.884  -6.330
  212   1HG2  THR 132          HG21      THR 132   2.138   8.391  -8.319
  213   2HG2  THR 132          HG22      THR 132   1.334   7.755  -6.884
  214   3HG2  THR 132          HG23      THR 132   1.577   6.718  -8.290
  215    H    LEU 133           HN       LEU 133   5.081   6.383  -4.653
  216    HA   LEU 133           HA       LEU 133   6.973   4.524  -5.874
  217   1HB   LEU 133          HB2       LEU 133   7.592   6.486  -3.690
  218   2HB   LEU 133          HB3       LEU 133   8.680   5.806  -4.885
  219    HG   LEU 133           HG       LEU 133   6.583   7.920  -5.365
  220   1HD1  LEU 133          HD11      LEU 133   8.490   9.361  -5.813
  221   2HD1  LEU 133          HD12      LEU 133   8.549   8.711  -4.176
  222   3HD1  LEU 133          HD13      LEU 133   9.591   8.038  -5.430
  223   1HD2  LEU 133          HD21      LEU 133   6.757   6.483  -7.308
  224   2HD2  LEU 133          HD22      LEU 133   7.498   8.051  -7.633
  225   3HD2  LEU 133          HD23      LEU 133   8.515   6.647  -7.300
  226    H    TRP 134           HN       TRP 134   4.769   4.310  -3.369
  227    HA   TRP 134           HA       TRP 134   6.209   2.935  -1.527
  228   1HB   TRP 134          HB2       TRP 134   3.456   2.384  -2.591
  229   2HB   TRP 134          HB3       TRP 134   4.132   1.546  -1.205
  230    HD1  TRP 134           HD1      TRP 134   5.357   4.889  -0.856
  231    HE1  TRP 134           HE1      TRP 134   3.882   6.327   0.658
  232    HE3  TRP 134           HE3      TRP 134   1.241   1.884  -0.741
  233    HZ2  TRP 134           HZ2      TRP 134   1.275   6.190   1.771
  234    HZ3  TRP 134           HZ3      TRP 134  -0.706   2.605   0.576
  235    HH2  TRP 134           HH2      TRP 134  -0.687   4.713   1.808
  236    H    SER 135           HN       SER 135   7.610   1.246  -1.846
  237    HA   SER 135           HA       SER 135   7.713  -0.027  -4.367
  238   1HB   SER 135          HB2       SER 135   9.659   0.367  -2.759
  239   2HB   SER 135          HB3       SER 135   9.072  -1.035  -1.868
  240    HG   SER 135           HG       SER 135  10.461  -0.909  -4.225
  241    H    THR 136           HN       THR 136   7.521  -2.209  -4.759
  242    HA   THR 136           HA       THR 136   5.213  -3.534  -4.429
  243    HB   THR 136           HB       THR 136   6.676  -5.759  -4.327
  244    HG1  THR 136           HG1      THR 136   8.599  -4.523  -3.790
  245   1HG2  THR 136          HG21      THR 136   6.658  -3.853  -6.668
  246   2HG2  THR 136          HG22      THR 136   5.381  -4.996  -6.256
  247   3HG2  THR 136          HG23      THR 136   6.966  -5.586  -6.754
  248    H    ASP 137           HN       ASP 137   7.827  -3.700  -2.002
  249    HA   ASP 137           HA       ASP 137   6.239  -5.445  -0.304
  250   1HB   ASP 137          HB2       ASP 137   8.698  -5.736  -0.358
  251   2HB   ASP 137          HB3       ASP 137   8.890  -4.119   0.314
  252    H    HIS 138           HN       HIS 138   7.203  -1.962  -0.404
  253    HA   HIS 138           HA       HIS 138   6.162  -1.367   2.134
  254   1HB   HIS 138          HB2       HIS 138   6.653   0.419  -0.253
  255   2HB   HIS 138          HB3       HIS 138   6.312   0.979   1.377
  256    HD2  HIS 138           HD2      HIS 138   8.379  -0.030   3.275
  257    HE1  HIS 138           HE1      HIS 138  11.285   0.272   0.213
  258    HE2  HIS 138           HE2      HIS 138  10.899   0.295   2.716
  259    H    VAL 139           HN       VAL 139   4.477  -2.272  -0.663
  260    HA   VAL 139           HA       VAL 139   2.326  -0.356  -0.201
  261    HB   VAL 139           HB       VAL 139   2.954  -2.259  -2.433
  262   1HG1  VAL 139          HG11      VAL 139   0.753  -3.065  -1.706
  263   2HG1  VAL 139          HG12      VAL 139   0.125  -1.419  -1.763
  264   3HG1  VAL 139          HG13      VAL 139   0.634  -2.221  -3.250
  265   1HG2  VAL 139          HG21      VAL 139   1.622   0.435  -2.357
  266   2HG2  VAL 139          HG22      VAL 139   3.354   0.165  -2.577
  267   3HG2  VAL 139          HG23      VAL 139   2.209  -0.410  -3.789
  268    H    ARG 140           HN       ARG 140   3.309  -3.667  -0.128
  269    HA   ARG 140           HA       ARG 140   0.980  -4.831   0.986
  270   1HB   ARG 140          HB2       ARG 140   2.722  -6.182  -0.058
  271   2HB   ARG 140          HB3       ARG 140   3.902  -5.622   1.120
  272   1HG   ARG 140          HG2       ARG 140   1.950  -6.668   2.699
  273   2HG   ARG 140          HG3       ARG 140   1.911  -7.735   1.305
  274   1HD   ARG 140          HD2       ARG 140   3.481  -8.382   3.204
  275   2HD   ARG 140          HD3       ARG 140   4.139  -8.379   1.572
  276    HE   ARG 140           HE       ARG 140   5.401  -6.459   2.101
  277   1HH1  ARG 140          HH12      ARG 140   3.472  -7.519   4.846
  278   2HH1  ARG 140          HH11      ARG 140   4.510  -6.744   6.015
  279   1HH2  ARG 140          HH22      ARG 140   6.744  -5.432   3.640
  280   2HH2  ARG 140          HH21      ARG 140   6.349  -5.557   5.333
  281    H    GLN 141           HN       GLN 141   3.593  -2.943   2.196
  282    HA   GLN 141           HA       GLN 141   3.522  -3.730   4.895
  283   1HB   GLN 141          HB2       GLN 141   5.515  -2.778   4.021
  284   2HB   GLN 141          HB3       GLN 141   4.660  -1.352   3.453
  285   1HG   GLN 141          HG2       GLN 141   4.357  -0.547   5.648
  286   2HG   GLN 141          HG3       GLN 141   4.945  -2.065   6.352
  287   1HE2  GLN 141          HE21      GLN 141   7.086  -2.318   4.373
  288   2HE2  GLN 141          HE22      GLN 141   8.291  -1.169   4.830
  289    H    TRP 142           HN       TRP 142   2.625  -0.475   3.636
  290    HA   TRP 142           HA       TRP 142   1.048   0.334   5.714
  291   1HB   TRP 142          HB2       TRP 142   1.585   1.717   3.735
  292   2HB   TRP 142          HB3       TRP 142   0.465   0.768   2.777
  293    HD1  TRP 142           HD1      TRP 142   0.415   3.202   5.787
  294    HE1  TRP 142           HE1      TRP 142  -1.891   4.340   5.859
  295    HE3  TRP 142           HE3      TRP 142  -1.889   0.641   1.994
  296    HZ2  TRP 142           HZ2      TRP 142  -4.341   4.194   4.490
  297    HZ3  TRP 142           HZ3      TRP 142  -4.220   1.208   1.446
  298    HH2  TRP 142           HH2      TRP 142  -5.422   2.948   2.675
  299    H    LEU 143           HN       LEU 143  -0.120  -1.128   2.829
  300    HA   LEU 143           HA       LEU 143  -2.690  -1.618   3.306
  301   1HB   LEU 143          HB2       LEU 143  -1.376  -2.379   1.341
  302   2HB   LEU 143          HB3       LEU 143  -0.877  -3.774   2.266
  303    HG   LEU 143           HG       LEU 143  -3.483  -4.123   2.487
  304   1HD1  LEU 143          HD11      LEU 143  -4.172  -2.124   1.364
  305   2HD1  LEU 143          HD12      LEU 143  -3.152  -2.504  -0.029
  306   3HD1  LEU 143          HD13      LEU 143  -4.559  -3.506   0.336
  307   1HD2  LEU 143          HD21      LEU 143  -1.909  -4.762   0.008
  308   2HD2  LEU 143          HD22      LEU 143  -1.873  -5.672   1.519
  309   3HD2  LEU 143          HD23      LEU 143  -3.357  -5.601   0.570
  310    H    GLU 144           HN       GLU 144  -0.142  -3.364   4.864
  311    HA   GLU 144           HA       GLU 144  -1.971  -5.176   6.290
  312   1HB   GLU 144          HB2       GLU 144   0.992  -4.920   6.153
  313   2HB   GLU 144          HB3       GLU 144   0.314  -5.609   7.619
  314   1HG   GLU 144          HG2       GLU 144  -0.845  -7.295   6.241
  315   2HG   GLU 144          HG3       GLU 144  -0.057  -6.620   4.820
  316    H    TRP 145           HN       TRP 145   0.372  -2.703   7.095
  317    HA   TRP 145           HA       TRP 145  -0.326  -2.300   9.761
  318   1HB   TRP 145          HB2       TRP 145   1.654  -1.283   9.382
  319   2HB   TRP 145          HB3       TRP 145   1.287  -1.013   7.688
  320    HD1  TRP 145           HD1      TRP 145   0.802   1.394   6.982
  321    HE1  TRP 145           HE1      TRP 145   0.560   3.619   8.222
  322    HE3  TRP 145           HE3      TRP 145   0.649  -0.378  11.739
  323    HZ2  TRP 145           HZ2      TRP 145   0.305   4.509  10.888
  324    HZ3  TRP 145           HZ3      TRP 145   0.402   1.222  13.596
  325    HH2  TRP 145           HH2      TRP 145   0.227   3.620  13.175
  326    H    ALA 146           HN       ALA 146  -2.176  -1.784   7.128
  327    HA   ALA 146           HA       ALA 146  -3.556   0.606   8.142
  328   1HB   ALA 146          HB1       ALA 146  -3.036   0.549   5.769
  329   2HB   ALA 146          HB2       ALA 146  -3.987  -0.923   5.584
  330   3HB   ALA 146          HB3       ALA 146  -4.778   0.587   6.040
  331    H    VAL 147           HN       VAL 147  -4.168  -2.848   7.362
  332    HA   VAL 147           HA       VAL 147  -6.700  -3.036   8.353
  333    HB   VAL 147           HB       VAL 147  -4.390  -4.967   8.491
  334   1HG1  VAL 147          HG11      VAL 147  -7.309  -5.538   8.966
  335   2HG1  VAL 147          HG12      VAL 147  -6.028  -6.744   8.833
  336   3HG1  VAL 147          HG13      VAL 147  -6.032  -5.605  10.180
  337   1HG2  VAL 147          HG21      VAL 147  -5.011  -4.347   6.255
  338   2HG2  VAL 147          HG22      VAL 147  -5.587  -5.986   6.560
  339   3HG2  VAL 147          HG23      VAL 147  -6.717  -4.629   6.603
  340    H    LYS 148           HN       LYS 148  -3.789  -2.490  10.208
  341    HA   LYS 148           HA       LYS 148  -5.304  -2.961  12.706
  342   1HB   LYS 148          HB2       LYS 148  -2.879  -2.318  13.654
  343   2HB   LYS 148          HB3       LYS 148  -3.318  -3.957  13.200
  344   1HG   LYS 148          HG2       LYS 148  -2.363  -3.347  10.889
  345   2HG   LYS 148          HG3       LYS 148  -1.608  -1.990  11.727
  346   1HD   LYS 148          HD2       LYS 148  -0.391  -3.440  13.165
  347   2HD   LYS 148          HD3       LYS 148  -1.323  -4.844  12.647
  348   1HE   LYS 148          HE2       LYS 148  -0.376  -4.452  10.333
  349   2HE   LYS 148          HE3       LYS 148   0.721  -3.291  11.080
  350   1HZ   LYS 148          HZ1       LYS 148   0.517  -6.138  11.888
  351   2HZ   LYS 148          HZ2       LYS 148   1.681  -5.011  12.400
  352   3HZ   LYS 148          HZ3       LYS 148   1.662  -5.545  10.791
  353    H    GLU 149           HN       GLU 149  -4.094  -0.776  10.690
  354    HA   GLU 149           HA       GLU 149  -4.033   1.562  12.383
  355   1HB   GLU 149          HB2       GLU 149  -2.680   1.615  10.309
  356   2HB   GLU 149          HB3       GLU 149  -4.167   1.708   9.367
  357   1HG   GLU 149          HG2       GLU 149  -4.695   3.832  10.185
  358   2HG   GLU 149          HG3       GLU 149  -3.572   3.688  11.532
  359    H    TYR 150           HN       TYR 150  -6.385   0.391   9.972
  360    HA   TYR 150           HA       TYR 150  -8.280   2.321  11.099
  361   1HB   TYR 150          HB2       TYR 150  -8.430   1.058   8.364
  362   2HB   TYR 150          HB3       TYR 150  -9.293   2.455   8.961
  363    HD1  TYR 150           HD1      TYR 150  -7.534   4.342   9.925
  364    HD2  TYR 150           HD2      TYR 150  -6.821   1.535   6.808
  365    HE1  TYR 150           HE1      TYR 150  -5.774   5.801   9.018
  366    HE2  TYR 150           HE2      TYR 150  -5.058   2.982   5.896
  367    HH   TYR 150           HH       TYR 150  -3.501   5.123   7.421
  368    H    GLY 151           HN       GLY 151  -7.620  -0.815  11.427
  369   1HA   GLY 151          HA1       GLY 151  -8.884  -2.414  12.502
  370   2HA   GLY 151          HA2       GLY 151 -10.213  -1.268  12.526
  371    H    LEU 152           HN       LEU 152  -8.488  -2.665   9.781
  372    HA   LEU 152           HA       LEU 152 -10.955  -3.475   8.505
  373   1HB   LEU 152          HB2       LEU 152  -8.059  -3.957   7.794
  374   2HB   LEU 152          HB3       LEU 152  -9.425  -4.372   6.778
  375    HG   LEU 152           HG       LEU 152  -8.795  -1.565   7.648
  376   1HD1  LEU 152          HD11      LEU 152  -6.987  -2.439   6.267
  377   2HD1  LEU 152          HD12      LEU 152  -8.162  -2.933   5.050
  378   3HD1  LEU 152          HD13      LEU 152  -7.925  -1.222   5.401
  379   1HD2  LEU 152          HD21      LEU 152 -11.121  -1.947   7.078
  380   2HD2  LEU 152          HD22      LEU 152 -10.326  -0.938   5.870
  381   3HD2  LEU 152          HD23      LEU 152 -10.630  -2.642   5.535
  382    HA   PRO 153           HA       PRO 153 -10.641  -7.656  10.120
  383   1HB   PRO 153          HB2       PRO 153 -12.957  -8.572   9.117
  384   2HB   PRO 153          HB3       PRO 153 -12.921  -7.418  10.452
  385   1HG   PRO 153          HG2       PRO 153 -13.597  -6.986   7.601
  386   2HG   PRO 153          HG3       PRO 153 -14.183  -6.134   9.038
  387   1HD   PRO 153          HD2       PRO 153 -12.141  -5.291   7.260
  388   2HD   PRO 153          HD3       PRO 153 -12.605  -4.535   8.787
  389    H    ASP 154           HN       ASP 154 -12.407  -9.178   7.897
  390    HA   ASP 154           HA       ASP 154 -10.435 -10.430   6.473
  391   1HB   ASP 154          HB2       ASP 154 -12.341 -10.992   4.838
  392   2HB   ASP 154          HB3       ASP 154 -12.492 -11.507   6.513
  393    H    VAL 155           HN       VAL 155  -9.297  -8.146   6.016
  394    HA   VAL 155           HA       VAL 155  -9.728  -7.685   3.150
  395    HB   VAL 155           HB       VAL 155  -7.647  -6.472   4.996
  396   1HG1  VAL 155          HG11      VAL 155  -7.247  -4.889   3.170
  397   2HG1  VAL 155          HG12      VAL 155  -6.903  -6.545   2.670
  398   3HG1  VAL 155          HG13      VAL 155  -8.396  -5.763   2.157
  399   1HG2  VAL 155          HG21      VAL 155 -10.194  -5.294   3.894
  400   2HG2  VAL 155          HG22      VAL 155  -9.905  -5.764   5.570
  401   3HG2  VAL 155          HG23      VAL 155  -8.988  -4.436   4.856
  402    H    ASN 156           HN       ASN 156  -8.420  -8.625   1.622
  403    HA   ASN 156           HA       ASN 156  -6.636 -10.710   2.658
  404   1HB   ASN 156          HB2       ASN 156  -8.574 -10.913   0.787
  405   2HB   ASN 156          HB3       ASN 156  -7.197 -10.549  -0.250
  406   1HD2  ASN 156          HD21      ASN 156  -5.453 -11.860   1.851
  407   2HD2  ASN 156          HD22      ASN 156  -5.622 -13.550   1.543
  408    H    ILE 157           HN       ILE 157  -4.546 -10.071   2.884
  409    HA   ILE 157           HA       ILE 157  -3.825  -7.753   1.358
  410    HB   ILE 157           HB       ILE 157  -2.254  -9.182   3.524
  411   1HG1  ILE 157          HG12      ILE 157  -4.373  -8.296   4.344
  412   2HG1  ILE 157          HG13      ILE 157  -3.008  -7.431   5.044
  413   1HG2  ILE 157          HG21      ILE 157  -0.559  -7.795   3.277
  414   2HG2  ILE 157          HG22      ILE 157  -1.281  -7.344   1.737
  415   3HG2  ILE 157          HG23      ILE 157  -1.618  -6.385   3.179
  416   1HD1  ILE 157          HD11      ILE 157  -4.841  -5.941   4.436
  417   2HD1  ILE 157          HD12      ILE 157  -3.371  -5.586   3.526
  418   3HD1  ILE 157          HD13      ILE 157  -4.697  -6.458   2.755
  419    H    LEU 158           HN       LEU 158  -2.783 -11.106   1.558
  420    HA   LEU 158           HA       LEU 158  -0.309 -10.835   0.296
  421   1HB   LEU 158          HB2       LEU 158  -0.630 -13.287  -0.272
  422   2HB   LEU 158          HB3       LEU 158  -0.612 -12.826   1.417
  423    HG   LEU 158           HG       LEU 158  -3.263 -13.060   0.077
  424   1HD1  LEU 158          HD11      LEU 158  -2.077 -15.060  -0.682
  425   2HD1  LEU 158          HD12      LEU 158  -1.619 -15.424   0.982
  426   3HD1  LEU 158          HD13      LEU 158  -3.316 -15.465   0.505
  427   1HD2  LEU 158          HD21      LEU 158  -3.881 -13.905   2.301
  428   2HD2  LEU 158          HD22      LEU 158  -2.200 -13.762   2.812
  429   3HD2  LEU 158          HD23      LEU 158  -3.118 -12.316   2.390
  430    H    LEU 159           HN       LEU 159  -2.975  -9.797  -1.175
  431    HA   LEU 159           HA       LEU 159  -2.401 -11.002  -3.783
  432   1HB   LEU 159          HB2       LEU 159  -4.706  -9.367  -2.739
  433   2HB   LEU 159          HB3       LEU 159  -4.422  -9.532  -4.458
  434    HG   LEU 159           HG       LEU 159  -4.632 -12.018  -4.177
  435   1HD1  LEU 159          HD11      LEU 159  -4.142 -12.160  -1.797
  436   2HD1  LEU 159          HD12      LEU 159  -5.611 -11.255  -1.432
  437   3HD1  LEU 159          HD13      LEU 159  -5.720 -12.856  -2.162
  438   1HD2  LEU 159          HD21      LEU 159  -7.050 -11.981  -4.104
  439   2HD2  LEU 159          HD22      LEU 159  -7.029 -10.393  -3.337
  440   3HD2  LEU 159          HD23      LEU 159  -6.460 -10.577  -4.998
  441    H    PHE 160           HN       PHE 160  -1.958  -8.195  -1.835
  442    HA   PHE 160           HA       PHE 160  -1.463  -6.518  -4.145
  443   1HB   PHE 160          HB2       PHE 160  -1.524  -5.927  -1.194
  444   2HB   PHE 160          HB3       PHE 160  -1.052  -4.728  -2.388
  445    HD1  PHE 160           HD1      PHE 160  -3.832  -6.901  -1.278
  446    HD2  PHE 160           HD2      PHE 160  -2.681  -3.531  -3.612
  447    HE1  PHE 160           HE1      PHE 160  -6.200  -6.335  -1.628
  448    HE2  PHE 160           HE2      PHE 160  -5.049  -2.956  -3.959
  449    HZ   PHE 160           HZ       PHE 160  -6.807  -4.304  -2.896
  450    H    GLN 161           HN       GLN 161   0.208  -8.534  -2.068
  451    HA   GLN 161           HA       GLN 161   2.652  -7.534  -1.450
  452   1HB   GLN 161          HB2       GLN 161   2.072 -10.269  -2.568
  453   2HB   GLN 161          HB3       GLN 161   3.548  -9.816  -1.727
  454   1HG   GLN 161          HG2       GLN 161   2.235  -9.298   0.268
  455   2HG   GLN 161          HG3       GLN 161   0.771  -9.804  -0.575
  456   1HE2  GLN 161          HE21      GLN 161   1.907 -10.878   1.853
  457   2HE2  GLN 161          HE22      GLN 161   2.229 -12.557   1.544
  458    H    ASN 162           HN       ASN 162   1.556  -8.308  -4.670
  459    HA   ASN 162           HA       ASN 162   4.298  -8.157  -5.705
  460   1HB   ASN 162          HB2       ASN 162   1.815  -9.032  -7.195
  461   2HB   ASN 162          HB3       ASN 162   3.491  -9.252  -7.690
  462   1HD2  ASN 162          HD21      ASN 162   0.915 -10.410  -5.710
  463   2HD2  ASN 162          HD22      ASN 162   1.695 -11.855  -5.164
  464    H    ILE 163           HN       ILE 163   1.690  -6.244  -5.171
  465    HA   ILE 163           HA       ILE 163   1.982  -4.657  -7.594
  466    HB   ILE 163           HB       ILE 163   0.093  -4.367  -5.230
  467   1HG1  ILE 163          HG12      ILE 163  -0.519  -5.252  -8.053
  468   2HG1  ILE 163          HG13      ILE 163  -0.357  -6.329  -6.667
  469   1HG2  ILE 163          HG21      ILE 163   0.097  -2.810  -7.803
  470   2HG2  ILE 163          HG22      ILE 163  -1.120  -2.707  -6.533
  471   3HG2  ILE 163          HG23      ILE 163   0.535  -2.195  -6.211
  472   1HD1  ILE 163          HD11      ILE 163  -2.420  -4.164  -7.000
  473   2HD1  ILE 163          HD12      ILE 163  -2.689  -5.900  -7.156
  474   3HD1  ILE 163          HD13      ILE 163  -2.251  -5.211  -5.592
  475    H    ASP 164           HN       ASP 164   3.159  -2.966  -7.757
  476    HA   ASP 164           HA       ASP 164   4.403  -1.739  -5.449
  477   1HB   ASP 164          HB2       ASP 164   5.775  -2.086  -7.409
  478   2HB   ASP 164          HB3       ASP 164   4.619  -1.249  -8.431
  479    H    GLY 165           HN       GLY 165   4.362   0.659  -5.327
  480   1HA   GLY 165          HA1       GLY 165   1.714   1.479  -4.851
  481   2HA   GLY 165          HA2       GLY 165   3.126   2.516  -4.794
  482    H    LYS 166           HN       LYS 166   3.682   1.750  -7.669
  483    HA   LYS 166           HA       LYS 166   2.296   3.915  -8.886
  484   1HB   LYS 166          HB2       LYS 166   3.644   3.486 -10.725
  485   2HB   LYS 166          HB3       LYS 166   4.594   2.726  -9.457
  486   1HG   LYS 166          HG2       LYS 166   3.600   0.564 -10.029
  487   2HG   LYS 166          HG3       LYS 166   2.719   1.330 -11.344
  488   1HD   LYS 166          HD2       LYS 166   4.548   0.498 -12.475
  489   2HD   LYS 166          HD3       LYS 166   5.079   2.136 -12.111
  490   1HE   LYS 166          HE2       LYS 166   5.772  -0.296 -10.470
  491   2HE   LYS 166          HE3       LYS 166   6.805   0.390 -11.717
  492   1HZ   LYS 166          HZ1       LYS 166   5.983   1.654  -9.159
  493   2HZ   LYS 166          HZ2       LYS 166   6.784   2.490 -10.399
  494   3HZ   LYS 166          HZ3       LYS 166   7.545   1.189  -9.626
  495    H    GLU 167           HN       GLU 167   1.696   0.598  -8.394
  496    HA   GLU 167           HA       GLU 167  -0.371   0.561 -10.443
  497   1HB   GLU 167          HB2       GLU 167   1.124  -1.353 -10.444
  498   2HB   GLU 167          HB3       GLU 167   0.770  -1.676  -8.752
  499   1HG   GLU 167          HG2       GLU 167  -1.309  -2.528  -9.207
  500   2HG   GLU 167          HG3       GLU 167  -1.447  -1.663 -10.736
  501    H    LEU 168           HN       LEU 168   0.020   0.856  -7.009
  502    HA   LEU 168           HA       LEU 168  -2.807   0.483  -6.510
  503   1HB   LEU 168          HB2       LEU 168  -0.908  -0.037  -4.858
  504   2HB   LEU 168          HB3       LEU 168  -0.722   1.697  -4.690
  505    HG   LEU 168           HG       LEU 168  -3.064   1.820  -3.855
  506   1HD1  LEU 168          HD11      LEU 168  -3.932  -0.203  -4.898
  507   2HD1  LEU 168          HD12      LEU 168  -2.865  -1.191  -3.898
  508   3HD1  LEU 168          HD13      LEU 168  -4.158  -0.254  -3.150
  509   1HD2  LEU 168          HD21      LEU 168  -2.572   0.922  -1.652
  510   2HD2  LEU 168          HD22      LEU 168  -1.259  -0.047  -2.321
  511   3HD2  LEU 168          HD23      LEU 168  -1.147   1.714  -2.324
  512    H    CYS 169           HN       CYS 169  -0.652   3.050  -7.273
  513    HA   CYS 169           HA       CYS 169  -2.374   5.234  -6.704
  514   1HB   CYS 169          HB2       CYS 169  -0.098   5.698  -7.140
  515   2HB   CYS 169          HB3       CYS 169  -0.140   4.820  -8.671
  516    HG   CYS 169           HG       CYS 169  -1.516   6.710 -10.078
  517    H    LYS 170           HN       LYS 170  -2.366   2.798  -9.291
  518    HA   LYS 170           HA       LYS 170  -4.339   4.348 -10.889
  519   1HB   LYS 170          HB2       LYS 170  -3.806   2.907 -12.659
  520   2HB   LYS 170          HB3       LYS 170  -2.249   3.301 -11.942
  521   1HG   LYS 170          HG2       LYS 170  -2.149   1.181 -10.840
  522   2HG   LYS 170          HG3       LYS 170  -3.798   0.794 -11.331
  523   1HD   LYS 170          HD2       LYS 170  -3.068   0.843 -13.693
  524   2HD   LYS 170          HD3       LYS 170  -1.412   1.136 -13.149
  525   1HE   LYS 170          HE2       LYS 170  -1.553  -0.980 -11.837
  526   2HE   LYS 170          HE3       LYS 170  -3.115  -1.285 -12.589
  527   1HZ   LYS 170          HZ1       LYS 170  -1.089  -2.379 -13.610
  528   2HZ   LYS 170          HZ2       LYS 170  -0.677  -0.845 -14.209
  529   3HZ   LYS 170          HZ3       LYS 170  -2.137  -1.576 -14.669
  530    H    MET 171           HN       MET 171  -4.707   2.751  -8.224
  531    HA   MET 171           HA       MET 171  -6.627   0.795  -9.212
  532   1HB   MET 171          HB2       MET 171  -5.882   1.510  -6.376
  533   2HB   MET 171          HB3       MET 171  -6.980   0.219  -6.844
  534   1HG   MET 171          HG2       MET 171  -4.152   0.290  -7.806
  535   2HG   MET 171          HG3       MET 171  -4.588  -0.354  -6.231
  536   1HE   MET 171          HE1       MET 171  -5.706  -2.618  -5.799
  537   2HE   MET 171          HE2       MET 171  -7.175  -1.898  -6.459
  538   3HE   MET 171          HE3       MET 171  -6.652  -3.490  -7.007
  539    H    THR 172           HN       THR 172  -8.741   1.063  -9.289
  540    HA   THR 172           HA       THR 172  -9.897   3.476  -8.116
  541    HB   THR 172           HB       THR 172 -11.932   2.668  -9.474
  542    HG1  THR 172           HG1      THR 172 -11.479   1.243 -11.135
  543   1HG2  THR 172          HG21      THR 172 -11.078   3.703 -11.530
  544   2HG2  THR 172          HG22      THR 172  -9.432   3.559 -10.915
  545   3HG2  THR 172          HG23      THR 172 -10.587   4.614 -10.103
  546    H    LYS 173           HN       LYS 173 -12.253   3.107  -7.340
  547    HA   LYS 173           HA       LYS 173 -12.278   1.471  -5.087
  548   1HB   LYS 173          HB2       LYS 173 -13.838   3.334  -5.403
  549   2HB   LYS 173          HB3       LYS 173 -14.641   2.460  -6.702
  550   1HG   LYS 173          HG2       LYS 173 -15.187   0.670  -5.022
  551   2HG   LYS 173          HG3       LYS 173 -14.593   1.767  -3.776
  552   1HD   LYS 173          HD2       LYS 173 -16.800   2.441  -5.715
  553   2HD   LYS 173          HD3       LYS 173 -17.067   1.808  -4.091
  554   1HE   LYS 173          HE2       LYS 173 -15.620   4.375  -4.746
  555   2HE   LYS 173          HE3       LYS 173 -17.298   4.260  -4.214
  556   1HZ   LYS 173          HZ1       LYS 173 -16.346   3.060  -2.194
  557   2HZ   LYS 173          HZ2       LYS 173 -16.100   4.736  -2.292
  558   3HZ   LYS 173          HZ3       LYS 173 -14.838   3.677  -2.676
  559    H    ASP 174           HN       ASP 174 -13.257   0.787  -8.409
  560    HA   ASP 174           HA       ASP 174 -14.591  -1.626  -7.890
  561   1HB   ASP 174          HB2       ASP 174 -13.296  -0.486 -10.328
  562   2HB   ASP 174          HB3       ASP 174 -14.086  -2.050 -10.352
  563    H    ASP 175           HN       ASP 175 -11.186  -0.909  -8.342
  564    HA   ASP 175           HA       ASP 175 -10.555  -3.634  -9.014
  565   1HB   ASP 175          HB2       ASP 175  -9.299  -1.263  -9.507
  566   2HB   ASP 175          HB3       ASP 175  -8.329  -1.897  -8.178
  567    H    PHE 176           HN       PHE 176 -10.729  -1.760  -6.080
  568    HA   PHE 176           HA       PHE 176  -9.378  -3.833  -4.588
  569   1HB   PHE 176          HB2       PHE 176 -11.066  -1.491  -3.661
  570   2HB   PHE 176          HB3       PHE 176 -10.344  -2.647  -2.558
  571    HD1  PHE 176           HD1      PHE 176  -9.554  -0.070  -5.089
  572    HD2  PHE 176           HD2      PHE 176  -8.150  -2.408  -1.819
  573    HE1  PHE 176           HE1      PHE 176  -7.536   1.324  -4.957
  574    HE2  PHE 176           HE2      PHE 176  -6.125  -1.020  -1.690
  575    HZ   PHE 176           HZ       PHE 176  -5.818   0.853  -3.260
  576    H    GLN 177           HN       GLN 177 -12.550  -3.256  -5.757
  577    HA   GLN 177           HA       GLN 177 -13.887  -4.941  -3.856
  578   1HB   GLN 177          HB2       GLN 177 -14.740  -3.947  -6.573
  579   2HB   GLN 177          HB3       GLN 177 -15.778  -4.816  -5.454
  580   1HG   GLN 177          HG2       GLN 177 -15.435  -2.995  -3.814
  581   2HG   GLN 177          HG3       GLN 177 -14.514  -2.130  -5.042
  582   1HE2  GLN 177          HE21      GLN 177 -17.657  -3.141  -4.008
  583   2HE2  GLN 177          HE22      GLN 177 -18.559  -2.198  -5.140
  584    H    ARG 178           HN       ARG 178 -11.690  -5.644  -6.209
  585    HA   ARG 178           HA       ARG 178 -12.906  -8.231  -6.950
  586   1HB   ARG 178          HB2       ARG 178 -11.413  -8.318  -8.765
  587   2HB   ARG 178          HB3       ARG 178 -11.783  -6.598  -8.678
  588   1HG   ARG 178          HG2       ARG 178  -9.710  -6.464  -7.154
  589   2HG   ARG 178          HG3       ARG 178  -9.310  -8.042  -7.818
  590   1HD   ARG 178          HD2       ARG 178  -9.849  -5.633  -9.523
  591   2HD   ARG 178          HD3       ARG 178  -8.251  -6.052  -8.912
  592    HE   ARG 178           HE       ARG 178  -9.569  -8.155 -10.389
  593   1HH1  ARG 178          HH12      ARG 178  -7.507  -5.333 -10.527
  594   2HH1  ARG 178          HH11      ARG 178  -6.664  -5.850 -11.963
  595   1HH2  ARG 178          HH22      ARG 178  -8.481  -8.849 -12.303
  596   2HH2  ARG 178          HH21      ARG 178  -7.234  -7.846 -12.977
  597    H    LEU 179           HN       LEU 179 -10.909  -6.861  -4.672
  598    HA   LEU 179           HA       LEU 179  -9.571  -9.442  -4.166
  599   1HB   LEU 179          HB2       LEU 179  -8.432  -6.737  -3.448
  600   2HB   LEU 179          HB3       LEU 179  -7.621  -8.290  -3.384
  601    HG   LEU 179           HG       LEU 179  -8.461  -6.849  -5.906
  602   1HD1  LEU 179          HD11      LEU 179  -6.081  -6.535  -6.282
  603   2HD1  LEU 179          HD12      LEU 179  -6.592  -5.766  -4.778
  604   3HD1  LEU 179          HD13      LEU 179  -5.726  -7.302  -4.732
  605   1HD2  LEU 179          HD21      LEU 179  -6.889  -9.396  -5.560
  606   2HD2  LEU 179          HD22      LEU 179  -8.541  -9.275  -6.165
  607   3HD2  LEU 179          HD23      LEU 179  -7.210  -8.572  -7.086
  608    H    THR 180           HN       THR 180 -11.344  -6.752  -2.994
  609    HA   THR 180           HA       THR 180 -12.104  -8.111  -0.582
  610    HB   THR 180           HB       THR 180 -10.677  -5.436  -0.367
  611    HG1  THR 180           HG1      THR 180  -9.651  -7.834  -0.416
  612   1HG2  THR 180          HG21      THR 180 -12.562  -5.636   1.204
  613   2HG2  THR 180          HG22      THR 180 -11.017  -5.669   2.053
  614   3HG2  THR 180          HG23      THR 180 -11.912  -7.166   1.788
  615    HA   PRO 181           HA       PRO 181 -15.139  -5.913  -3.104
  616   1HB   PRO 181          HB2       PRO 181 -17.085  -7.740  -1.893
  617   2HB   PRO 181          HB3       PRO 181 -16.613  -7.558  -3.584
  618   1HG   PRO 181          HG2       PRO 181 -15.918  -9.717  -2.134
  619   2HG   PRO 181          HG3       PRO 181 -14.863  -9.048  -3.394
  620   1HD   PRO 181          HD2       PRO 181 -14.710  -8.714  -0.418
  621   2HD   PRO 181          HD3       PRO 181 -13.402  -9.002  -1.586
  622    H    SER 182           HN       SER 182 -16.479  -4.317  -2.832
  623    HA   SER 182           HA       SER 182 -18.050  -2.915  -2.041
  624   1HB   SER 182          HB2       SER 182 -19.248  -4.973  -1.310
  625   2HB   SER 182          HB3       SER 182 -18.437  -4.851   0.249
  626    HG   SER 182           HG       SER 182 -20.650  -3.607  -0.595
  627    H    TYR 183           HN       TYR 183 -17.053  -4.035   1.164
  628    HA   TYR 183           HA       TYR 183 -16.350  -1.266   1.770
  629   1HB   TYR 183          HB2       TYR 183 -16.578  -1.858   4.099
  630   2HB   TYR 183          HB3       TYR 183 -18.008  -2.389   3.226
  631    HD1  TYR 183           HD1      TYR 183 -15.931  -3.301   5.793
  632    HD2  TYR 183           HD2      TYR 183 -17.572  -4.944   2.225
  633    HE1  TYR 183           HE1      TYR 183 -15.620  -5.565   6.697
  634    HE2  TYR 183           HE2      TYR 183 -17.271  -7.210   3.127
  635    HH   TYR 183           HH       TYR 183 -16.814  -7.927   6.245
  636    H    ASN 184           HN       ASN 184 -14.461  -0.860   3.174
  637    HA   ASN 184           HA       ASN 184 -12.376  -1.125   3.959
  638   1HB   ASN 184          HB2       ASN 184 -12.446  -3.811   2.633
  639   2HB   ASN 184          HB3       ASN 184 -11.059  -3.199   3.530
  640   1HD2  ASN 184          HD21      ASN 184 -12.145  -5.540   4.229
  641   2HD2  ASN 184          HD22      ASN 184 -13.041  -5.421   5.692
  642    H    ALA 185           HN       ALA 185 -13.207  -2.019   0.700
  643    HA   ALA 185           HA       ALA 185 -10.888  -1.267  -0.676
  644   1HB   ALA 185          HB1       ALA 185 -12.405  -0.876  -2.571
  645   2HB   ALA 185          HB2       ALA 185 -12.773  -2.388  -1.740
  646   3HB   ALA 185          HB3       ALA 185 -13.785  -0.967  -1.476
  647    H    ASP 186           HN       ASP 186 -13.779   0.599   0.177
  648    HA   ASP 186           HA       ASP 186 -12.746   3.186  -0.549
  649   1HB   ASP 186          HB2       ASP 186 -14.681   4.034   0.691
  650   2HB   ASP 186          HB3       ASP 186 -15.149   2.798  -0.461
  651    H    ILE 187           HN       ILE 187 -12.850   1.619   2.665
  652    HA   ILE 187           HA       ILE 187 -11.706   3.657   4.055
  653    HB   ILE 187           HB       ILE 187 -11.080   0.702   4.264
  654   1HG1  ILE 187          HG12      ILE 187 -12.790   2.470   6.005
  655   2HG1  ILE 187          HG13      ILE 187 -13.439   1.649   4.592
  656   1HG2  ILE 187          HG21      ILE 187 -10.233   1.196   6.507
  657   2HG2  ILE 187          HG22      ILE 187  -9.269   2.008   5.274
  658   3HG2  ILE 187          HG23      ILE 187 -10.448   2.922   6.216
  659   1HD1  ILE 187          HD11      ILE 187 -13.931   0.429   6.617
  660   2HD1  ILE 187          HD12      ILE 187 -12.853  -0.497   5.575
  661   3HD1  ILE 187          HD13      ILE 187 -12.210   0.326   6.996
  662    H    LEU 188           HN       LEU 188  -9.836   1.155   2.352
  663    HA   LEU 188           HA       LEU 188  -7.302   2.229   2.800
  664   1HB   LEU 188          HB2       LEU 188  -8.236   0.607   0.452
  665   2HB   LEU 188          HB3       LEU 188  -6.574   0.873   0.953
  666    HG   LEU 188           HG       LEU 188  -8.626  -0.485   2.697
  667   1HD1  LEU 188          HD11      LEU 188  -7.632  -2.593   2.074
  668   2HD1  LEU 188          HD12      LEU 188  -8.244  -1.778   0.635
  669   3HD1  LEU 188          HD13      LEU 188  -6.513  -1.777   0.978
  670   1HD2  LEU 188          HD21      LEU 188  -5.622  -0.286   2.840
  671   2HD2  LEU 188          HD22      LEU 188  -6.780   0.507   3.907
  672   3HD2  LEU 188          HD23      LEU 188  -6.633  -1.251   3.915
  673    H    LEU 189           HN       LEU 189  -9.647   2.793   0.215
  674    HA   LEU 189           HA       LEU 189  -7.709   4.133  -1.477
  675   1HB   LEU 189          HB2       LEU 189  -9.580   2.641  -2.267
  676   2HB   LEU 189          HB3       LEU 189 -10.672   3.955  -1.878
  677    HG   LEU 189           HG       LEU 189  -9.452   5.411  -3.467
  678   1HD1  LEU 189          HD11      LEU 189  -7.276   4.329  -3.382
  679   2HD1  LEU 189          HD12      LEU 189  -7.949   2.878  -4.131
  680   3HD1  LEU 189          HD13      LEU 189  -7.873   4.388  -5.041
  681   1HD2  LEU 189          HD21      LEU 189 -10.474   2.824  -4.625
  682   2HD2  LEU 189          HD22      LEU 189 -11.450   4.224  -4.181
  683   3HD2  LEU 189          HD23      LEU 189 -10.288   4.343  -5.501
  684    H    SER 190           HN       SER 190 -10.019   5.073   0.938
  685    HA   SER 190           HA       SER 190 -10.212   7.790  -0.104
  686   1HB   SER 190          HB2       SER 190 -12.203   6.722   0.970
  687   2HB   SER 190          HB3       SER 190 -11.296   6.604   2.475
  688    HG   SER 190           HG       SER 190 -11.210   9.133   1.539
  689    H    HIS 191           HN       HIS 191  -8.417   5.789   1.936
  690    HA   HIS 191           HA       HIS 191  -7.229   7.922   3.484
  691   1HB   HIS 191          HB2       HIS 191  -7.051   4.944   3.409
  692   2HB   HIS 191          HB3       HIS 191  -5.718   5.832   4.136
  693    HD2  HIS 191           HD2      HIS 191  -7.065   7.928   6.018
  694    HE1  HIS 191           HE1      HIS 191  -9.637   4.816   7.276
  695    HE2  HIS 191           HE2      HIS 191  -8.560   7.010   7.935
  696    H    LEU 192           HN       LEU 192  -6.440   5.856   0.740
  697    HA   LEU 192           HA       LEU 192  -3.761   6.603   0.542
  698   1HB   LEU 192          HB2       LEU 192  -5.017   4.697  -0.663
  699   2HB   LEU 192          HB3       LEU 192  -5.448   5.909  -1.856
  700    HG   LEU 192           HG       LEU 192  -2.866   6.342  -1.929
  701   1HD1  LEU 192          HD11      LEU 192  -2.311   4.930  -0.060
  702   2HD1  LEU 192          HD12      LEU 192  -3.019   3.534  -0.873
  703   3HD1  LEU 192          HD13      LEU 192  -1.578   4.303  -1.538
  704   1HD2  LEU 192          HD21      LEU 192  -4.194   5.529  -3.815
  705   2HD2  LEU 192          HD22      LEU 192  -2.628   4.723  -3.726
  706   3HD2  LEU 192          HD23      LEU 192  -4.084   3.884  -3.185
  707    H    HIS 193           HN       HIS 193  -6.705   7.908  -0.858
  708    HA   HIS 193           HA       HIS 193  -5.594   9.793  -2.599
  709   1HB   HIS 193          HB2       HIS 193  -8.241   9.757  -1.155
  710   2HB   HIS 193          HB3       HIS 193  -7.805  11.018  -2.302
  711    HD2  HIS 193           HD2      HIS 193  -6.359   8.544  -4.285
  712    HE1  HIS 193           HE1      HIS 193 -10.471   7.711  -4.808
  713    HE2  HIS 193           HE2      HIS 193  -8.165   7.504  -5.829
  714    H    TYR 194           HN       TYR 194  -6.502  10.104   0.824
  715    HA   TYR 194           HA       TYR 194  -5.912  12.813   1.131
  716   1HB   TYR 194          HB2       TYR 194  -7.115  11.635   2.856
  717   2HB   TYR 194          HB3       TYR 194  -5.773  10.526   3.105
  718    HD1  TYR 194           HD1      TYR 194  -6.779  14.081   3.457
  719    HD2  TYR 194           HD2      TYR 194  -4.082  11.023   4.665
  720    HE1  TYR 194           HE1      TYR 194  -5.903  15.559   5.216
  721    HE2  TYR 194           HE2      TYR 194  -3.200  12.491   6.427
  722    HH   TYR 194           HH       TYR 194  -4.735  15.333   7.417
  723    H    LEU 195           HN       LEU 195  -3.887   9.952   1.631
  724    HA   LEU 195           HA       LEU 195  -1.554  11.178   2.426
  725   1HB   LEU 195          HB2       LEU 195  -2.079   8.679   0.872
  726   2HB   LEU 195          HB3       LEU 195  -0.491   9.124   1.425
  727    HG   LEU 195           HG       LEU 195  -2.874   8.609   3.189
  728   1HD1  LEU 195          HD11      LEU 195  -2.055   6.576   2.145
  729   2HD1  LEU 195          HD12      LEU 195  -0.412   6.953   2.664
  730   3HD1  LEU 195          HD13      LEU 195  -1.657   6.597   3.863
  731   1HD2  LEU 195          HD21      LEU 195  -1.359  10.251   4.157
  732   2HD2  LEU 195          HD22      LEU 195  -1.262   8.720   5.027
  733   3HD2  LEU 195          HD23      LEU 195   0.007   9.168   3.887
  734    H    ARG 196           HN       ARG 196  -2.734  10.493  -0.818
  735    HA   ARG 196           HA       ARG 196  -0.280  11.317  -2.144
  736   1HB   ARG 196          HB2       ARG 196  -1.656   9.405  -2.900
  737   2HB   ARG 196          HB3       ARG 196  -2.946  10.532  -3.320
  738   1HG   ARG 196          HG2       ARG 196  -1.451  11.604  -4.935
  739   2HG   ARG 196          HG3       ARG 196  -0.174  10.465  -4.504
  740   1HD   ARG 196          HD2       ARG 196  -1.149   9.600  -6.465
  741   2HD   ARG 196          HD3       ARG 196  -1.796   8.626  -5.148
  742    HE   ARG 196           HE       ARG 196  -3.494  10.842  -5.768
  743   1HH1  ARG 196          HH12      ARG 196  -2.618   7.628  -6.851
  744   2HH1  ARG 196          HH11      ARG 196  -4.145   7.333  -7.620
  745   1HH2  ARG 196          HH22      ARG 196  -5.500  10.451  -6.776
  746   2HH2  ARG 196          HH21      ARG 196  -5.783   8.929  -7.575
  747    H    GLU 197           HN       GLU 197  -2.852  13.021  -0.859
  748    HA   GLU 197           HA       GLU 197  -2.983  15.097  -2.800
  749   1HB   GLU 197          HB2       GLU 197  -4.589  14.824  -0.872
  750   2HB   GLU 197          HB3       GLU 197  -3.316  15.419   0.189
  751   1HG   GLU 197          HG2       GLU 197  -3.239  17.504  -1.061
  752   2HG   GLU 197          HG3       GLU 197  -4.503  16.911  -2.133
  753    H    THR 198           HN       THR 198  -0.766  14.164  -0.334
  754    HA   THR 198           HA       THR 198   0.967  16.447  -0.981
  755    HB   THR 198           HB       THR 198   2.345  15.271   0.970
  756    HG1  THR 198           HG1      THR 198   0.525  13.612   1.021
  757   1HG2  THR 198          HG21      THR 198   1.491  17.562   1.015
  758   2HG2  THR 198          HG22      THR 198   1.244  16.763   2.567
  759   3HG2  THR 198          HG23      THR 198  -0.108  16.964   1.453
  760    HA   PRO 199           HA       PRO 199   3.291  13.509  -3.357
  761   1HB   PRO 199          HB2       PRO 199   4.969  15.225  -4.490
  762   2HB   PRO 199          HB3       PRO 199   3.231  15.348  -4.782
  763   1HG   PRO 199          HG2       PRO 199   4.988  17.032  -3.070
  764   2HG   PRO 199          HG3       PRO 199   3.540  17.483  -3.983
  765   1HD   PRO 199          HD2       PRO 199   3.708  16.851  -1.213
  766   2HD   PRO 199          HD3       PRO 199   2.238  17.152  -2.160
  767    H    LEU 200           HN       LEU 200   5.335  12.536  -3.591
  768    HA   LEU 200           HA       LEU 200   7.151  12.678  -1.375
  769   1HB   LEU 200          HB2       LEU 200   6.692  10.606  -2.719
  770   2HB   LEU 200          HB3       LEU 200   7.510  11.345  -4.074
  771    HG   LEU 200           HG       LEU 200   8.822   9.614  -2.756
  772   1HD1  LEU 200          HD11      LEU 200   9.918  11.153  -4.293
  773   2HD1  LEU 200          HD12      LEU 200  10.032  12.366  -3.016
  774   3HD1  LEU 200          HD13      LEU 200  10.922  10.849  -2.873
  775   1HD2  LEU 200          HD21      LEU 200   9.905  10.379  -0.700
  776   2HD2  LEU 200          HD22      LEU 200   8.951  11.862  -0.745
  777   3HD2  LEU 200          HD23      LEU 200   8.152  10.305  -0.519
  778    HA   PRO 201           HA       PRO 201   9.053  16.328  -3.134
  779   1HB   PRO 201          HB2       PRO 201  10.800  16.766  -1.096
  780   2HB   PRO 201          HB3       PRO 201   9.087  17.195  -1.014
  781   1HG   PRO 201          HG2       PRO 201  10.503  14.817   0.115
  782   2HG   PRO 201          HG3       PRO 201   9.225  15.811   0.839
  783   1HD   PRO 201          HD2       PRO 201   8.749  13.393  -0.302
  784   2HD   PRO 201          HD3       PRO 201   7.556  14.705  -0.282
  Start of MODEL    9
    1   1H    GLY 105           H1       GLY 105  16.289   3.506 -11.697
    2   2H    GLY 105           H2       GLY 105  15.241   2.187 -11.907
    3   3H    GLY 105           H3       GLY 105  14.991   3.275 -10.630
    4   1HA   GLY 105          HA2       GLY 105  14.529   5.053 -12.209
    5   2HA   GLY 105          HA1       GLY 105  14.755   3.902 -13.520
    6    H    SER 106           HN       SER 106  12.693   3.981 -14.335
    7    HA   SER 106           HA       SER 106  10.402   3.671 -12.597
    8   1HB   SER 106          HB2       SER 106  10.525   3.678 -15.623
    9   2HB   SER 106          HB3       SER 106   9.085   3.897 -14.629
   10    HG   SER 106           HG       SER 106  10.736   5.753 -15.503
   11    H    HIS 107           HN       HIS 107  11.994   1.513 -12.223
   12    HA   HIS 107           HA       HIS 107  10.271  -0.656 -13.001
   13   1HB   HIS 107          HB2       HIS 107  11.802  -0.574 -14.930
   14   2HB   HIS 107          HB3       HIS 107  13.183  -0.678 -13.846
   15    HD2  HIS 107           HD2      HIS 107  13.816  -3.187 -12.934
   16    HE1  HIS 107           HE1      HIS 107  10.742  -5.196 -15.024
   17    HE2  HIS 107           HE2      HIS 107  12.684  -5.468 -13.420
   18    H    MET 108           HN       MET 108  10.038  -1.881 -11.259
   19    HA   MET 108           HA       MET 108  12.041  -1.614  -9.122
   20   1HB   MET 108          HB2       MET 108   9.081  -2.189  -9.030
   21   2HB   MET 108          HB3       MET 108  10.131  -2.418  -7.640
   22   1HG   MET 108          HG2       MET 108   9.046  -0.310  -7.428
   23   2HG   MET 108          HG3       MET 108  10.749  -0.024  -7.768
   24   1HE   MET 108          HE1       MET 108   7.095   0.038  -9.210
   25   2HE   MET 108          HE2       MET 108   7.382   0.505 -10.886
   26   3HE   MET 108          HE3       MET 108   7.916  -1.073 -10.307
   27    H    GLU 109           HN       GLU 109  13.354  -3.256  -8.949
   28    HA   GLU 109           HA       GLU 109  12.563  -5.934  -9.795
   29   1HB   GLU 109          HB2       GLU 109  15.197  -4.762  -8.885
   30   2HB   GLU 109          HB3       GLU 109  14.978  -6.458  -9.297
   31   1HG   GLU 109          HG2       GLU 109  14.377  -4.217 -11.204
   32   2HG   GLU 109          HG3       GLU 109  15.956  -4.996 -11.092
   33    H    GLU 110           HN       GLU 110  12.972  -7.779  -8.433
   34    HA   GLU 110           HA       GLU 110  11.692  -7.547  -5.931
   35   1HB   GLU 110          HB2       GLU 110  13.309  -9.861  -7.010
   36   2HB   GLU 110          HB3       GLU 110  12.170  -9.935  -5.674
   37   1HG   GLU 110          HG2       GLU 110  10.340  -9.412  -7.188
   38   2HG   GLU 110          HG3       GLU 110  11.477  -9.287  -8.530
   39    H    LYS 111           HN       LYS 111  14.915  -7.023  -6.766
   40    HA   LYS 111           HA       LYS 111  16.124  -8.008  -4.361
   41   1HB   LYS 111          HB2       LYS 111  17.231  -7.676  -6.661
   42   2HB   LYS 111          HB3       LYS 111  17.329  -5.975  -6.229
   43   1HG   LYS 111          HG2       LYS 111  19.418  -6.968  -5.704
   44   2HG   LYS 111          HG3       LYS 111  18.588  -6.655  -4.178
   45   1HD   LYS 111          HD2       LYS 111  17.815  -9.021  -4.189
   46   2HD   LYS 111          HD3       LYS 111  18.814  -9.296  -5.616
   47   1HE   LYS 111          HE2       LYS 111  20.024 -10.038  -3.685
   48   2HE   LYS 111          HE3       LYS 111  20.793  -8.576  -4.302
   49   1HZ   LYS 111          HZ1       LYS 111  18.903  -8.675  -2.010
   50   2HZ   LYS 111          HZ2       LYS 111  19.700  -7.293  -2.581
   51   3HZ   LYS 111          HZ3       LYS 111  20.587  -8.554  -1.883
   52    H    HIS 112           HN       HIS 112  14.592  -5.080  -5.373
   53    HA   HIS 112           HA       HIS 112  15.718  -3.637  -3.072
   54   1HB   HIS 112          HB2       HIS 112  14.409  -2.525  -5.565
   55   2HB   HIS 112          HB3       HIS 112  15.085  -1.570  -4.249
   56    HD2  HIS 112           HD2      HIS 112  16.177  -3.423  -7.428
   57    HE1  HIS 112           HE1      HIS 112  19.642  -1.913  -5.534
   58    HE2  HIS 112           HE2      HIS 112  18.754  -3.148  -7.558
   59    H    MET 113           HN       MET 113  14.143  -4.905  -1.797
   60    HA   MET 113           HA       MET 113  11.457  -3.726  -1.927
   61   1HB   MET 113          HB2       MET 113  12.311  -6.351  -0.694
   62   2HB   MET 113          HB3       MET 113  10.674  -5.712  -0.683
   63   1HG   MET 113          HG2       MET 113  10.618  -5.816  -3.125
   64   2HG   MET 113          HG3       MET 113  12.259  -6.457  -3.132
   65   1HE   MET 113          HE1       MET 113   8.601  -8.683  -1.420
   66   2HE   MET 113          HE2       MET 113   9.286  -7.231  -0.690
   67   3HE   MET 113          HE3       MET 113   8.503  -7.135  -2.268
   68    HA   PRO 114           HA       PRO 114  12.670  -3.721   2.844
   69   1HB   PRO 114          HB2       PRO 114  15.622  -3.901   2.570
   70   2HB   PRO 114          HB3       PRO 114  14.558  -4.571   3.810
   71   1HG   PRO 114          HG2       PRO 114  15.613  -6.143   1.944
   72   2HG   PRO 114          HG3       PRO 114  13.941  -6.376   2.493
   73   1HD   PRO 114          HD2       PRO 114  14.952  -5.111  -0.020
   74   2HD   PRO 114          HD3       PRO 114  13.549  -6.169   0.223
   75    HA   PRO 115           HA       PRO 115  15.948  -0.004   2.070
   76   1HB   PRO 115          HB2       PRO 115  15.586   0.789  -0.615
   77   2HB   PRO 115          HB3       PRO 115  17.034   0.078   0.098
   78   1HG   PRO 115          HG2       PRO 115  14.844  -1.221  -1.444
   79   2HG   PRO 115          HG3       PRO 115  16.578  -1.596  -1.412
   80   1HD   PRO 115          HD2       PRO 115  14.836  -3.154  -0.146
   81   2HD   PRO 115          HD3       PRO 115  16.411  -2.774   0.587
   82    HA   PRO 116           HA       PRO 116  12.216   2.434   2.785
   83   1HB   PRO 116          HB2       PRO 116  14.382   4.419   3.294
   84   2HB   PRO 116          HB3       PRO 116  12.972   4.014   4.280
   85   1HG   PRO 116          HG2       PRO 116  15.389   3.159   4.974
   86   2HG   PRO 116          HG3       PRO 116  13.968   2.112   5.159
   87   1HD   PRO 116          HD2       PRO 116  16.121   2.038   3.086
   88   2HD   PRO 116          HD3       PRO 116  15.257   0.698   3.869
   89    H    ASN 117           HN       ASN 117  11.123   3.737   1.454
   90    HA   ASN 117           HA       ASN 117  12.290   4.310  -1.106
   91   1HB   ASN 117          HB2       ASN 117   9.526   4.881  -0.026
   92   2HB   ASN 117          HB3       ASN 117  10.017   5.122  -1.698
   93   1HD2  ASN 117          HD21      ASN 117  11.705   2.696  -1.665
   94   2HD2  ASN 117          HD22      ASN 117  10.603   1.368  -1.732
   95    H    MET 118           HN       MET 118  10.502   6.394   1.189
   96    HA   MET 118           HA       MET 118  12.197   8.634   0.315
   97   1HB   MET 118          HB2       MET 118   9.198   8.776   0.681
   98   2HB   MET 118          HB3       MET 118  10.250  10.128   0.295
   99   1HG   MET 118          HG2       MET 118   9.595   7.763  -1.437
  100   2HG   MET 118          HG3       MET 118   9.127   9.443  -1.680
  101   1HE   MET 118          HE1       MET 118  11.947  10.816  -0.760
  102   2HE   MET 118          HE2       MET 118  12.682  11.084  -2.341
  103   3HE   MET 118          HE3       MET 118  10.967  11.411  -2.100
  104    H    THR 119           HN       THR 119  12.486  10.297   1.820
  105    HA   THR 119           HA       THR 119  11.998   9.523   4.591
  106    HB   THR 119           HB       THR 119  13.500  11.973   3.650
  107    HG1  THR 119           HG1      THR 119  14.128   9.416   3.169
  108   1HG2  THR 119          HG21      THR 119  13.726  10.260   6.133
  109   2HG2  THR 119          HG22      THR 119  12.978  11.856   6.045
  110   3HG2  THR 119          HG23      THR 119  14.711  11.679   5.768
  111    H    THR 120           HN       THR 120   9.650  10.000   3.503
  112    HA   THR 120           HA       THR 120   8.920  12.742   4.301
  113    HB   THR 120           HB       THR 120   7.352  11.077   2.335
  114    HG1  THR 120           HG1      THR 120   9.379  13.006   1.712
  115   1HG2  THR 120          HG21      THR 120   6.186  12.976   3.303
  116   2HG2  THR 120          HG22      THR 120   6.551  13.301   1.608
  117   3HG2  THR 120          HG23      THR 120   7.519  14.045   2.881
  118    H    ASN 121           HN       ASN 121   7.363   9.584   3.738
  119    HA   ASN 121           HA       ASN 121   5.637  10.026   6.057
  120   1HB   ASN 121          HB2       ASN 121   4.918   9.093   3.702
  121   2HB   ASN 121          HB3       ASN 121   5.560   7.572   4.317
  122   1HD2  ASN 121          HD21      ASN 121   2.837   8.354   3.588
  123   2HD2  ASN 121          HD22      ASN 121   1.870   8.059   4.985
  124    H    GLU 122           HN       GLU 122   8.537   9.501   6.249
  125    HA   GLU 122           HA       GLU 122   8.767   6.783   7.173
  126   1HB   GLU 122          HB2       GLU 122  11.118   7.443   7.730
  127   2HB   GLU 122          HB3       GLU 122  10.671   7.628   6.043
  128   1HG   GLU 122          HG2       GLU 122  11.947   9.512   6.586
  129   2HG   GLU 122          HG3       GLU 122  10.275  10.066   6.539
  130    H    ARG 123           HN       ARG 123   7.394   9.386   8.491
  131    HA   ARG 123           HA       ARG 123   8.117   8.818  11.240
  132   1HB   ARG 123          HB2       ARG 123   5.870  10.497  10.083
  133   2HB   ARG 123          HB3       ARG 123   6.259  10.382  11.790
  134   1HG   ARG 123          HG2       ARG 123   8.106  11.476   9.680
  135   2HG   ARG 123          HG3       ARG 123   7.070  12.449  10.723
  136   1HD   ARG 123          HD2       ARG 123   9.110  12.521  11.817
  137   2HD   ARG 123          HD3       ARG 123   8.267  11.220  12.655
  138    HE   ARG 123           HE       ARG 123  10.096  10.576  10.443
  139   1HH1  ARG 123          HH12      ARG 123   9.329  10.476  13.860
  140   2HH1  ARG 123          HH11      ARG 123  10.531   9.274  14.225
  141   1HH2  ARG 123          HH22      ARG 123  11.690   9.025  10.916
  142   2HH2  ARG 123          HH21      ARG 123  11.875   8.449  12.551
  143    H    ARG 124           HN       ARG 124   6.657   7.048   9.035
  144    HA   ARG 124           HA       ARG 124   4.814   5.780  10.872
  145   1HB   ARG 124          HB2       ARG 124   3.450   7.527   9.923
  146   2HB   ARG 124          HB3       ARG 124   3.925   7.068   8.296
  147   1HG   ARG 124          HG2       ARG 124   2.768   4.935   8.567
  148   2HG   ARG 124          HG3       ARG 124   2.280   5.418  10.197
  149   1HD   ARG 124          HD2       ARG 124   1.636   6.955   7.695
  150   2HD   ARG 124          HD3       ARG 124   0.540   5.799   8.458
  151    HE   ARG 124           HE       ARG 124   1.169   7.510  10.477
  152   1HH1  ARG 124          HH12      ARG 124  -0.133   7.957   7.253
  153   2HH1  ARG 124          HH11      ARG 124  -0.984   9.415   7.664
  154   1HH2  ARG 124          HH22      ARG 124   0.033   9.388  11.019
  155   2HH2  ARG 124          HH21      ARG 124  -0.909  10.213   9.820
  156    H    VAL 125           HN       VAL 125   5.004   5.672   7.283
  157    HA   VAL 125           HA       VAL 125   5.736   2.839   7.604
  158    HB   VAL 125           HB       VAL 125   4.615   2.974   5.071
  159   1HG1  VAL 125          HG11      VAL 125   3.379   2.097   7.682
  160   2HG1  VAL 125          HG12      VAL 125   2.850   1.598   6.074
  161   3HG1  VAL 125          HG13      VAL 125   4.449   1.134   6.660
  162   1HG2  VAL 125          HG21      VAL 125   3.612   5.150   5.589
  163   2HG2  VAL 125          HG22      VAL 125   2.395   3.885   5.386
  164   3HG2  VAL 125          HG23      VAL 125   2.827   4.439   7.006
  165    H    ILE 126           HN       ILE 126   7.159   5.545   6.877
  166    HA   ILE 126           HA       ILE 126   9.205   5.973   6.008
  167    HB   ILE 126           HB       ILE 126   9.668   3.094   5.343
  168   1HG1  ILE 126          HG12      ILE 126   8.561   2.869   7.471
  169   2HG1  ILE 126          HG13      ILE 126  10.287   2.688   7.743
  170   1HG2  ILE 126          HG21      ILE 126  11.357   5.237   6.615
  171   2HG2  ILE 126          HG22      ILE 126  11.896   3.605   6.220
  172   3HG2  ILE 126          HG23      ILE 126  11.423   4.712   4.932
  173   1HD1  ILE 126          HD11      ILE 126   8.609   5.114   8.332
  174   2HD1  ILE 126          HD12      ILE 126   9.317   3.999   9.503
  175   3HD1  ILE 126          HD13      ILE 126  10.364   5.030   8.525
  176    H    VAL 127           HN       VAL 127   6.930   6.020   4.286
  177    HA   VAL 127           HA       VAL 127   8.110   5.267   1.691
  178    HB   VAL 127           HB       VAL 127   5.695   5.203   0.900
  179   1HG1  VAL 127          HG11      VAL 127   6.555   3.196   2.977
  180   2HG1  VAL 127          HG12      VAL 127   5.295   2.945   1.767
  181   3HG1  VAL 127          HG13      VAL 127   6.971   3.172   1.263
  182   1HG2  VAL 127          HG21      VAL 127   4.676   6.428   2.726
  183   2HG2  VAL 127          HG22      VAL 127   3.988   4.807   2.635
  184   3HG2  VAL 127          HG23      VAL 127   5.185   5.189   3.875
  185    HA   PRO 128           HA       PRO 128   7.175   9.506   0.266
  186   1HB   PRO 128          HB2       PRO 128   5.659   8.948  -2.000
  187   2HB   PRO 128          HB3       PRO 128   7.406   9.158  -1.975
  188   1HG   PRO 128          HG2       PRO 128   5.787   6.694  -2.120
  189   2HG   PRO 128          HG3       PRO 128   7.424   6.995  -2.717
  190   1HD   PRO 128          HD2       PRO 128   6.874   5.512  -0.471
  191   2HD   PRO 128          HD3       PRO 128   8.398   6.371  -0.741
  192    H    ALA 129           HN       ALA 129   5.592  10.766   1.047
  193    HA   ALA 129           HA       ALA 129   2.947  10.091   1.535
  194   1HB   ALA 129          HB1       ALA 129   3.989  12.794   0.718
  195   2HB   ALA 129          HB2       ALA 129   2.477  12.470   1.565
  196   3HB   ALA 129          HB3       ALA 129   4.019  12.130   2.351
  197    H    ASP 130           HN       ASP 130   3.997   9.300  -1.191
  198    HA   ASP 130           HA       ASP 130   1.619   9.971  -2.757
  199   1HB   ASP 130          HB2       ASP 130   4.000  11.109  -3.494
  200   2HB   ASP 130          HB3       ASP 130   4.158   9.523  -4.215
  201    HA   PRO 131           HA       PRO 131   1.971   5.591  -2.103
  202   1HB   PRO 131          HB2       PRO 131  -0.656   5.579  -3.423
  203   2HB   PRO 131          HB3       PRO 131  -0.206   5.024  -1.808
  204   1HG   PRO 131          HG2       PRO 131  -1.660   7.247  -2.161
  205   2HG   PRO 131          HG3       PRO 131  -0.444   7.127  -0.873
  206   1HD   PRO 131          HD2       PRO 131  -0.243   8.464  -3.548
  207   2HD   PRO 131          HD3       PRO 131   0.295   9.045  -1.956
  208    H    THR 132           HN       THR 132   2.853   7.081  -4.661
  209    HA   THR 132           HA       THR 132   2.225   5.086  -6.627
  210    HB   THR 132           HB       THR 132   3.567   6.659  -8.101
  211    HG1  THR 132           HG1      THR 132   3.118   8.719  -6.301
  212   1HG2  THR 132          HG21      THR 132   1.090   6.609  -8.027
  213   2HG2  THR 132          HG22      THR 132   1.723   8.227  -8.338
  214   3HG2  THR 132          HG23      THR 132   1.134   7.806  -6.728
  215    H    LEU 133           HN       LEU 133   4.982   6.418  -4.883
  216    HA   LEU 133           HA       LEU 133   6.781   4.491  -6.144
  217   1HB   LEU 133          HB2       LEU 133   7.620   6.522  -4.114
  218   2HB   LEU 133          HB3       LEU 133   8.528   5.887  -5.472
  219    HG   LEU 133           HG       LEU 133   6.280   7.914  -5.647
  220   1HD1  LEU 133          HD11      LEU 133   8.070   9.470  -6.270
  221   2HD1  LEU 133          HD12      LEU 133   8.280   8.839  -4.636
  222   3HD1  LEU 133          HD13      LEU 133   9.268   8.213  -5.958
  223   1HD2  LEU 133          HD21      LEU 133   8.106   6.782  -7.779
  224   2HD2  LEU 133          HD22      LEU 133   6.368   6.520  -7.642
  225   3HD2  LEU 133          HD23      LEU 133   6.991   8.130  -8.002
  226    H    TRP 134           HN       TRP 134   4.808   4.304  -3.510
  227    HA   TRP 134           HA       TRP 134   6.312   2.988  -1.678
  228   1HB   TRP 134          HB2       TRP 134   3.577   2.320  -2.755
  229   2HB   TRP 134          HB3       TRP 134   4.271   1.551  -1.333
  230    HD1  TRP 134           HD1      TRP 134   5.257   5.058  -1.385
  231    HE1  TRP 134           HE1      TRP 134   3.827   6.470   0.197
  232    HE3  TRP 134           HE3      TRP 134   1.559   1.678  -0.518
  233    HZ2  TRP 134           HZ2      TRP 134   1.408   6.172   1.639
  234    HZ3  TRP 134           HZ3      TRP 134  -0.285   2.310   0.981
  235    HH2  TRP 134           HH2      TRP 134  -0.357   4.511   2.036
  236    H    SER 135           HN       SER 135   7.675   1.323  -1.809
  237    HA   SER 135           HA       SER 135   7.998  -0.216  -4.145
  238   1HB   SER 135          HB2       SER 135   9.839   0.123  -2.558
  239   2HB   SER 135          HB3       SER 135   8.965  -0.791  -1.329
  240    HG   SER 135           HG       SER 135  10.662  -1.801  -2.928
  241    H    THR 136           HN       THR 136   7.533  -2.322  -4.541
  242    HA   THR 136           HA       THR 136   5.206  -3.586  -4.070
  243    HB   THR 136           HB       THR 136   6.488  -5.828  -4.062
  244    HG1  THR 136           HG1      THR 136   8.549  -3.965  -3.903
  245   1HG2  THR 136          HG21      THR 136   6.936  -3.823  -6.274
  246   2HG2  THR 136          HG22      THR 136   5.526  -4.864  -6.081
  247   3HG2  THR 136          HG23      THR 136   7.103  -5.571  -6.432
  248    H    ASP 137           HN       ASP 137   7.966  -3.755  -1.838
  249    HA   ASP 137           HA       ASP 137   6.591  -5.433   0.062
  250   1HB   ASP 137          HB2       ASP 137   9.086  -5.445  -0.223
  251   2HB   ASP 137          HB3       ASP 137   9.126  -3.824   0.462
  252    H    HIS 138           HN       HIS 138   7.443  -1.968  -0.231
  253    HA   HIS 138           HA       HIS 138   6.397  -1.183   2.238
  254   1HB   HIS 138          HB2       HIS 138   7.135   0.195  -0.305
  255   2HB   HIS 138          HB3       HIS 138   6.311   1.084   0.971
  256    HD2  HIS 138           HD2      HIS 138   7.775   1.667   3.176
  257    HE1  HIS 138           HE1      HIS 138  11.363  -0.091   1.782
  258    HE2  HIS 138           HE2      HIS 138  10.260   1.116   3.723
  259    H    VAL 139           HN       VAL 139   4.650  -2.357  -0.402
  260    HA   VAL 139           HA       VAL 139   2.550  -0.366  -0.149
  261    HB   VAL 139           HB       VAL 139   3.099  -2.545  -2.139
  262   1HG1  VAL 139          HG11      VAL 139   0.894  -3.206  -1.314
  263   2HG1  VAL 139          HG12      VAL 139   0.300  -1.561  -1.547
  264   3HG1  VAL 139          HG13      VAL 139   0.770  -2.534  -2.941
  265   1HG2  VAL 139          HG21      VAL 139   2.324  -0.851  -3.711
  266   2HG2  VAL 139          HG22      VAL 139   1.896   0.205  -2.363
  267   3HG2  VAL 139          HG23      VAL 139   3.588  -0.212  -2.654
  268    H    ARG 140           HN       ARG 140   3.414  -3.729   0.411
  269    HA   ARG 140           HA       ARG 140   0.990  -4.511   1.692
  270   1HB   ARG 140          HB2       ARG 140   3.815  -5.534   1.957
  271   2HB   ARG 140          HB3       ARG 140   2.463  -6.209   2.847
  272   1HG   ARG 140          HG2       ARG 140   2.188  -7.572   1.145
  273   2HG   ARG 140          HG3       ARG 140   1.580  -6.171   0.270
  274   1HD   ARG 140          HD2       ARG 140   3.309  -7.172  -1.060
  275   2HD   ARG 140          HD3       ARG 140   3.923  -5.655  -0.387
  276    HE   ARG 140           HE       ARG 140   4.883  -7.224   1.421
  277   1HH1  ARG 140          HH12      ARG 140   4.689  -7.914  -2.009
  278   2HH1  ARG 140          HH11      ARG 140   5.966  -9.093  -1.967
  279   1HH2  ARG 140          HH22      ARG 140   6.585  -8.695   1.468
  280   2HH2  ARG 140          HH21      ARG 140   7.071  -9.527   0.019
  281    H    GLN 141           HN       GLN 141   3.696  -2.573   2.512
  282    HA   GLN 141           HA       GLN 141   3.758  -3.150   5.223
  283   1HB   GLN 141          HB2       GLN 141   5.699  -2.220   4.212
  284   2HB   GLN 141          HB3       GLN 141   4.798  -0.830   3.620
  285   1HG   GLN 141          HG2       GLN 141   4.677   0.149   5.697
  286   2HG   GLN 141          HG3       GLN 141   5.044  -1.365   6.546
  287   1HE2  GLN 141          HE21      GLN 141   7.196  -1.965   4.568
  288   2HE2  GLN 141          HE22      GLN 141   8.530  -0.973   5.043
  289    H    TRP 142           HN       TRP 142   2.626  -0.127   3.656
  290    HA   TRP 142           HA       TRP 142   1.051   0.681   5.780
  291   1HB   TRP 142          HB2       TRP 142   1.529   2.105   3.798
  292   2HB   TRP 142          HB3       TRP 142   0.409   1.128   2.861
  293    HD1  TRP 142           HD1      TRP 142   0.412   3.554   5.857
  294    HE1  TRP 142           HE1      TRP 142  -1.980   4.439   6.203
  295    HE3  TRP 142           HE3      TRP 142  -1.974   0.810   2.267
  296    HZ2  TRP 142           HZ2      TRP 142  -4.535   4.008   5.130
  297    HZ3  TRP 142           HZ3      TRP 142  -4.398   1.115   1.961
  298    HH2  TRP 142           HH2      TRP 142  -5.655   2.696   3.360
  299    H    LEU 143           HN       LEU 143   0.007  -0.961   2.893
  300    HA   LEU 143           HA       LEU 143  -2.578  -1.402   3.383
  301   1HB   LEU 143          HB2       LEU 143  -1.294  -2.133   1.402
  302   2HB   LEU 143          HB3       LEU 143  -0.719  -3.511   2.307
  303    HG   LEU 143           HG       LEU 143  -3.303  -4.011   2.526
  304   1HD1  LEU 143          HD11      LEU 143  -3.077  -2.320   0.042
  305   2HD1  LEU 143          HD12      LEU 143  -4.431  -3.400   0.399
  306   3HD1  LEU 143          HD13      LEU 143  -4.103  -2.019   1.448
  307   1HD2  LEU 143          HD21      LEU 143  -1.592  -5.423   1.512
  308   2HD2  LEU 143          HD22      LEU 143  -3.095  -5.434   0.583
  309   3HD2  LEU 143          HD23      LEU 143  -1.715  -4.489   0.019
  310    H    GLU 144           HN       GLU 144   0.001  -3.115   4.914
  311    HA   GLU 144           HA       GLU 144  -1.776  -4.908   6.395
  312   1HB   GLU 144          HB2       GLU 144   1.205  -4.498   6.474
  313   2HB   GLU 144          HB3       GLU 144   0.387  -5.445   7.709
  314   1HG   GLU 144          HG2       GLU 144  -0.418  -6.984   6.030
  315   2HG   GLU 144          HG3       GLU 144   0.280  -6.006   4.756
  316    H    TRP 145           HN       TRP 145   0.472  -2.322   7.226
  317    HA   TRP 145           HA       TRP 145  -0.335  -1.833   9.857
  318   1HB   TRP 145          HB2       TRP 145   1.532  -0.652   9.546
  319   2HB   TRP 145          HB3       TRP 145   1.279  -0.555   7.814
  320    HD1  TRP 145           HD1      TRP 145   0.904   1.762   6.902
  321    HE1  TRP 145           HE1      TRP 145   0.334   4.051   7.853
  322    HE3  TRP 145           HE3      TRP 145   0.024   0.402  11.723
  323    HZ2  TRP 145           HZ2      TRP 145  -0.416   5.169  10.339
  324    HZ3  TRP 145           HZ3      TRP 145  -0.615   2.147  13.330
  325    HH2  TRP 145           HH2      TRP 145  -0.831   4.481  12.661
  326    H    ALA 146           HN       ALA 146  -2.230  -1.599   7.211
  327    HA   ALA 146           HA       ALA 146  -3.736   0.790   8.049
  328   1HB   ALA 146          HB1       ALA 146  -4.042  -0.959   5.612
  329   2HB   ALA 146          HB2       ALA 146  -4.988   0.488   5.969
  330   3HB   ALA 146          HB3       ALA 146  -3.253   0.618   5.680
  331    H    VAL 147           HN       VAL 147  -4.242  -2.596   7.138
  332    HA   VAL 147           HA       VAL 147  -6.661  -3.093   8.335
  333    HB   VAL 147           HB       VAL 147  -4.240  -4.902   8.314
  334   1HG1  VAL 147          HG11      VAL 147  -7.163  -5.562   8.624
  335   2HG1  VAL 147          HG12      VAL 147  -5.860  -6.737   8.439
  336   3HG1  VAL 147          HG13      VAL 147  -5.919  -5.708   9.869
  337   1HG2  VAL 147          HG21      VAL 147  -4.792  -4.132   6.093
  338   2HG2  VAL 147          HG22      VAL 147  -5.267  -5.822   6.263
  339   3HG2  VAL 147          HG23      VAL 147  -6.489  -4.550   6.335
  340    H    LYS 148           HN       LYS 148  -3.496  -2.703   9.721
  341    HA   LYS 148           HA       LYS 148  -4.065  -3.648  12.326
  342   1HB   LYS 148          HB2       LYS 148  -1.892  -1.790  11.351
  343   2HB   LYS 148          HB3       LYS 148  -1.954  -2.508  12.955
  344   1HG   LYS 148          HG2       LYS 148  -1.741  -4.718  12.024
  345   2HG   LYS 148          HG3       LYS 148  -1.810  -4.067  10.385
  346   1HD   LYS 148          HD2       LYS 148   0.257  -2.759  10.906
  347   2HD   LYS 148          HD3       LYS 148   0.349  -3.624  12.442
  348   1HE   LYS 148          HE2       LYS 148   0.370  -4.899   9.710
  349   2HE   LYS 148          HE3       LYS 148   1.789  -4.623  10.719
  350   1HZ   LYS 148          HZ1       LYS 148   0.903  -6.096  12.375
  351   2HZ   LYS 148          HZ2       LYS 148   0.935  -6.898  10.877
  352   3HZ   LYS 148          HZ3       LYS 148  -0.530  -6.308  11.490
  353    H    GLU 149           HN       GLU 149  -3.813  -0.173  11.051
  354    HA   GLU 149           HA       GLU 149  -4.659   0.801  13.494
  355   1HB   GLU 149          HB2       GLU 149  -3.208   1.969  11.909
  356   2HB   GLU 149          HB3       GLU 149  -4.511   2.041  10.716
  357   1HG   GLU 149          HG2       GLU 149  -4.187   4.168  11.861
  358   2HG   GLU 149          HG3       GLU 149  -5.784   3.493  12.173
  359    H    TYR 150           HN       TYR 150  -6.624  -0.342  10.782
  360    HA   TYR 150           HA       TYR 150  -8.615   1.667  11.530
  361   1HB   TYR 150          HB2       TYR 150  -8.229   0.315   8.855
  362   2HB   TYR 150          HB3       TYR 150  -9.472   1.489   9.242
  363    HD1  TYR 150           HD1      TYR 150  -8.167   3.626  10.609
  364    HD2  TYR 150           HD2      TYR 150  -6.684   1.237   7.413
  365    HE1  TYR 150           HE1      TYR 150  -6.646   5.445   9.961
  366    HE2  TYR 150           HE2      TYR 150  -5.159   3.049   6.761
  367    HH   TYR 150           HH       TYR 150  -4.990   5.485   7.001
  368    H    GLY 151           HN       GLY 151  -7.871  -1.530  11.770
  369   1HA   GLY 151          HA1       GLY 151  -9.102  -3.230  12.743
  370   2HA   GLY 151          HA2       GLY 151 -10.465  -2.122  12.841
  371    H    LEU 152           HN       LEU 152  -8.574  -3.539  10.208
  372    HA   LEU 152           HA       LEU 152 -11.003  -3.828   8.630
  373   1HB   LEU 152          HB2       LEU 152  -8.148  -4.366   7.854
  374   2HB   LEU 152          HB3       LEU 152  -9.521  -4.164   6.777
  375    HG   LEU 152           HG       LEU 152  -8.207  -2.054   8.473
  376   1HD1  LEU 152          HD11      LEU 152  -7.791  -0.955   6.339
  377   2HD1  LEU 152          HD12      LEU 152  -7.033  -2.545   6.419
  378   3HD1  LEU 152          HD13      LEU 152  -8.519  -2.322   5.495
  379   1HD2  LEU 152          HD21      LEU 152 -10.697  -1.825   6.802
  380   2HD2  LEU 152          HD22      LEU 152 -10.603  -1.729   8.562
  381   3HD2  LEU 152          HD23      LEU 152  -9.841  -0.487   7.569
  382    HA   PRO 153           HA       PRO 153 -11.293  -7.902  10.409
  383   1HB   PRO 153          HB2       PRO 153 -13.507  -8.653   8.957
  384   2HB   PRO 153          HB3       PRO 153 -13.555  -7.700  10.443
  385   1HG   PRO 153          HG2       PRO 153 -13.700  -6.795   7.600
  386   2HG   PRO 153          HG3       PRO 153 -14.612  -6.224   9.010
  387   1HD   PRO 153          HD2       PRO 153 -12.531  -4.839   8.017
  388   2HD   PRO 153          HD3       PRO 153 -12.862  -4.900   9.761
  389    H    ASP 154           HN       ASP 154 -11.789  -7.607   6.868
  390    HA   ASP 154           HA       ASP 154 -10.071  -9.963   6.551
  391   1HB   ASP 154          HB2       ASP 154 -12.418 -10.727   6.594
  392   2HB   ASP 154          HB3       ASP 154 -12.781  -9.652   5.249
  393    H    VAL 155           HN       VAL 155  -8.820  -7.822   5.975
  394    HA   VAL 155           HA       VAL 155  -9.073  -7.285   3.127
  395    HB   VAL 155           HB       VAL 155  -6.935  -6.402   5.083
  396   1HG1  VAL 155          HG11      VAL 155  -7.514  -5.473   2.278
  397   2HG1  VAL 155          HG12      VAL 155  -6.325  -4.774   3.376
  398   3HG1  VAL 155          HG13      VAL 155  -6.118  -6.425   2.787
  399   1HG2  VAL 155          HG21      VAL 155  -8.039  -4.229   4.985
  400   2HG2  VAL 155          HG22      VAL 155  -9.301  -4.922   3.968
  401   3HG2  VAL 155          HG23      VAL 155  -9.108  -5.476   5.628
  402    H    ASN 156           HN       ASN 156  -8.088  -8.508   1.626
  403    HA   ASN 156           HA       ASN 156  -6.272 -10.570   2.618
  404   1HB   ASN 156          HB2       ASN 156  -8.339 -10.814   0.886
  405   2HB   ASN 156          HB3       ASN 156  -6.998 -10.597  -0.241
  406   1HD2  ASN 156          HD21      ASN 156  -5.209 -11.756   1.902
  407   2HD2  ASN 156          HD22      ASN 156  -5.428 -13.459   1.763
  408    H    ILE 157           HN       ILE 157  -4.241  -9.863   2.756
  409    HA   ILE 157           HA       ILE 157  -3.570  -7.651   1.071
  410    HB   ILE 157           HB       ILE 157  -2.105  -8.944   3.386
  411   1HG1  ILE 157          HG12      ILE 157  -3.564  -6.313   3.152
  412   2HG1  ILE 157          HG13      ILE 157  -4.175  -7.782   3.895
  413   1HG2  ILE 157          HG21      ILE 157  -0.477  -7.941   1.838
  414   2HG2  ILE 157          HG22      ILE 157  -1.301  -6.392   2.015
  415   3HG2  ILE 157          HG23      ILE 157  -0.524  -7.142   3.406
  416   1HD1  ILE 157          HD11      ILE 157  -2.430  -7.666   5.579
  417   2HD1  ILE 157          HD12      ILE 157  -1.839  -6.177   4.843
  418   3HD1  ILE 157          HD13      ILE 157  -3.444  -6.222   5.568
  419    H    LEU 158           HN       LEU 158  -2.602 -10.970   1.408
  420    HA   LEU 158           HA       LEU 158  -0.259 -10.849  -0.126
  421   1HB   LEU 158          HB2       LEU 158  -0.727 -13.309  -0.534
  422   2HB   LEU 158          HB3       LEU 158  -0.493 -12.778   1.118
  423    HG   LEU 158           HG       LEU 158  -3.300 -12.888   0.176
  424   1HD1  LEU 158          HD11      LEU 158  -1.690 -15.373   0.756
  425   2HD1  LEU 158          HD12      LEU 158  -3.438 -15.295   0.542
  426   3HD1  LEU 158          HD13      LEU 158  -2.367 -14.926  -0.809
  427   1HD2  LEU 158          HD21      LEU 158  -1.866 -13.750   2.687
  428   2HD2  LEU 158          HD22      LEU 158  -2.712 -12.222   2.448
  429   3HD2  LEU 158          HD23      LEU 158  -3.614 -13.737   2.451
  430    H    LEU 159           HN       LEU 159  -3.072  -9.753  -1.301
  431    HA   LEU 159           HA       LEU 159  -2.839 -11.092  -3.894
  432   1HB   LEU 159          HB2       LEU 159  -5.000  -9.428  -2.637
  433   2HB   LEU 159          HB3       LEU 159  -4.876  -9.520  -4.381
  434    HG   LEU 159           HG       LEU 159  -5.097 -12.003  -4.211
  435   1HD1  LEU 159          HD11      LEU 159  -4.342 -12.334  -1.942
  436   2HD1  LEU 159          HD12      LEU 159  -5.696 -11.390  -1.324
  437   3HD1  LEU 159          HD13      LEU 159  -5.989 -12.936  -2.120
  438   1HD2  LEU 159          HD21      LEU 159  -7.005 -10.601  -4.771
  439   2HD2  LEU 159          HD22      LEU 159  -7.507 -11.969  -3.776
  440   3HD2  LEU 159          HD23      LEU 159  -7.349 -10.365  -3.057
  441    H    PHE 160           HN       PHE 160  -2.194  -8.229  -2.110
  442    HA   PHE 160           HA       PHE 160  -1.803  -6.640  -4.496
  443   1HB   PHE 160          HB2       PHE 160  -1.551  -5.902  -1.572
  444   2HB   PHE 160          HB3       PHE 160  -1.340  -4.771  -2.900
  445    HD1  PHE 160           HD1      PHE 160  -3.786  -6.944  -1.187
  446    HD2  PHE 160           HD2      PHE 160  -3.188  -3.764  -3.953
  447    HE1  PHE 160           HE1      PHE 160  -6.195  -6.458  -1.141
  448    HE2  PHE 160           HE2      PHE 160  -5.599  -3.276  -3.915
  449    HZ   PHE 160           HZ       PHE 160  -7.104  -4.621  -2.510
  450    H    GLN 161           HN       GLN 161  -0.108  -8.725  -2.634
  451    HA   GLN 161           HA       GLN 161   2.333  -7.689  -1.962
  452   1HB   GLN 161          HB2       GLN 161   1.534 -10.433  -2.802
  453   2HB   GLN 161          HB3       GLN 161   3.218 -10.069  -2.436
  454   1HG   GLN 161          HG2       GLN 161   2.543  -9.248  -0.229
  455   2HG   GLN 161          HG3       GLN 161   0.875  -9.675  -0.587
  456   1HE2  GLN 161          HE21      GLN 161   1.752 -12.115  -2.027
  457   2HE2  GLN 161          HE22      GLN 161   2.174 -13.242  -0.786
  458    H    ASN 162           HN       ASN 162   1.331  -8.560  -5.222
  459    HA   ASN 162           HA       ASN 162   4.078  -8.115  -6.174
  460   1HB   ASN 162          HB2       ASN 162   1.649  -9.334  -7.490
  461   2HB   ASN 162          HB3       ASN 162   3.085  -8.887  -8.402
  462   1HD2  ASN 162          HD21      ASN 162   3.239 -10.134  -5.150
  463   2HD2  ASN 162          HD22      ASN 162   3.939 -11.658  -5.561
  464    H    ILE 163           HN       ILE 163   1.642  -6.303  -5.366
  465    HA   ILE 163           HA       ILE 163   1.711  -4.497  -7.684
  466    HB   ILE 163           HB       ILE 163  -0.096  -4.603  -5.252
  467   1HG1  ILE 163          HG12      ILE 163  -0.714  -5.026  -8.182
  468   2HG1  ILE 163          HG13      ILE 163  -0.593  -6.292  -6.964
  469   1HG2  ILE 163          HG21      ILE 163  -1.303  -2.726  -6.081
  470   2HG2  ILE 163          HG22      ILE 163   0.397  -2.276  -5.966
  471   3HG2  ILE 163          HG23      ILE 163  -0.312  -2.662  -7.535
  472   1HD1  ILE 163          HD11      ILE 163  -2.912  -5.721  -7.465
  473   2HD1  ILE 163          HD12      ILE 163  -2.500  -5.359  -5.786
  474   3HD1  ILE 163          HD13      ILE 163  -2.604  -4.055  -6.969
  475    H    ASP 164           HN       ASP 164   3.017  -2.867  -7.683
  476    HA   ASP 164           HA       ASP 164   4.091  -1.879  -5.159
  477   1HB   ASP 164          HB2       ASP 164   5.378  -0.386  -6.979
  478   2HB   ASP 164          HB3       ASP 164   5.907  -2.008  -6.544
  479    H    GLY 165           HN       GLY 165   4.463   0.722  -5.393
  480   1HA   GLY 165          HA1       GLY 165   1.895   1.725  -4.853
  481   2HA   GLY 165          HA2       GLY 165   3.336   2.703  -5.075
  482    H    LYS 166           HN       LYS 166   3.729   1.633  -7.801
  483    HA   LYS 166           HA       LYS 166   2.371   3.738  -9.148
  484   1HB   LYS 166          HB2       LYS 166   3.637   3.069 -11.039
  485   2HB   LYS 166          HB3       LYS 166   4.665   2.811  -9.641
  486   1HG   LYS 166          HG2       LYS 166   5.048   0.800 -10.418
  487   2HG   LYS 166          HG3       LYS 166   3.396   0.412  -9.924
  488   1HD   LYS 166          HD2       LYS 166   2.557   0.797 -12.100
  489   2HD   LYS 166          HD3       LYS 166   4.049   1.587 -12.617
  490   1HE   LYS 166          HE2       LYS 166   3.905  -0.661 -13.530
  491   2HE   LYS 166          HE3       LYS 166   5.244  -0.530 -12.392
  492   1HZ   LYS 166          HZ1       LYS 166   4.083  -2.560 -11.995
  493   2HZ   LYS 166          HZ2       LYS 166   2.590  -1.767 -11.890
  494   3HZ   LYS 166          HZ3       LYS 166   3.771  -1.523 -10.688
  495    H    GLU 167           HN       GLU 167   1.808   0.486  -8.425
  496    HA   GLU 167           HA       GLU 167  -0.136   0.086 -10.557
  497   1HB   GLU 167          HB2       GLU 167   1.673  -1.603  -9.866
  498   2HB   GLU 167          HB3       GLU 167   0.684  -1.903  -8.450
  499   1HG   GLU 167          HG2       GLU 167   0.178  -3.584 -10.028
  500   2HG   GLU 167          HG3       GLU 167  -1.196  -2.477 -10.000
  501    H    LEU 168           HN       LEU 168   0.118   0.648  -7.105
  502    HA   LEU 168           HA       LEU 168  -2.671   0.026  -6.643
  503   1HB   LEU 168          HB2       LEU 168  -0.961  -0.562  -4.950
  504   2HB   LEU 168          HB3       LEU 168  -0.537   1.128  -4.799
  505    HG   LEU 168           HG       LEU 168  -2.932   1.507  -4.014
  506   1HD1  LEU 168          HD11      LEU 168  -2.827  -1.494  -3.775
  507   2HD1  LEU 168          HD12      LEU 168  -4.032  -0.454  -3.011
  508   3HD1  LEU 168          HD13      LEU 168  -3.935  -0.549  -4.772
  509   1HD2  LEU 168          HD21      LEU 168  -1.171  -0.233  -2.298
  510   2HD2  LEU 168          HD22      LEU 168  -0.956   1.502  -2.541
  511   3HD2  LEU 168          HD23      LEU 168  -2.410   0.897  -1.744
  512    H    CYS 169           HN       CYS 169  -0.731   2.944  -7.053
  513    HA   CYS 169           HA       CYS 169  -2.955   4.460  -6.093
  514   1HB   CYS 169          HB2       CYS 169  -0.713   5.387  -5.763
  515   2HB   CYS 169          HB3       CYS 169  -0.428   5.383  -7.499
  516    HG   CYS 169           HG       CYS 169  -1.660   7.614  -8.085
  517    H    LYS 170           HN       LYS 170  -2.326   2.776  -8.818
  518    HA   LYS 170           HA       LYS 170  -4.148   4.369 -10.523
  519   1HB   LYS 170          HB2       LYS 170  -2.084   2.256 -11.168
  520   2HB   LYS 170          HB3       LYS 170  -3.349   2.724 -12.294
  521   1HG   LYS 170          HG2       LYS 170  -2.488   5.027 -12.266
  522   2HG   LYS 170          HG3       LYS 170  -1.184   4.502 -11.198
  523   1HD   LYS 170          HD2       LYS 170  -0.284   3.067 -12.868
  524   2HD   LYS 170          HD3       LYS 170  -1.703   3.267 -13.895
  525   1HE   LYS 170          HE2       LYS 170   0.243   5.451 -13.166
  526   2HE   LYS 170          HE3       LYS 170   0.235   4.561 -14.688
  527   1HZ   LYS 170          HZ1       LYS 170  -0.900   6.594 -15.035
  528   2HZ   LYS 170          HZ2       LYS 170  -1.872   6.381 -13.659
  529   3HZ   LYS 170          HZ3       LYS 170  -2.080   5.378 -15.007
  530    H    MET 171           HN       MET 171  -4.652   2.595  -8.162
  531    HA   MET 171           HA       MET 171  -6.371   0.582  -9.397
  532   1HB   MET 171          HB2       MET 171  -5.888   1.310  -6.518
  533   2HB   MET 171          HB3       MET 171  -7.000   0.057  -7.056
  534   1HG   MET 171          HG2       MET 171  -4.114   0.008  -7.832
  535   2HG   MET 171          HG3       MET 171  -4.658  -0.581  -6.268
  536   1HE   MET 171          HE1       MET 171  -7.146  -2.177  -6.457
  537   2HE   MET 171          HE2       MET 171  -6.577  -3.763  -6.978
  538   3HE   MET 171          HE3       MET 171  -5.636  -2.824  -5.817
  539    H    THR 172           HN       THR 172  -8.549   0.826  -9.586
  540    HA   THR 172           HA       THR 172  -9.663   3.411  -8.824
  541    HB   THR 172           HB       THR 172 -11.636   2.670 -10.129
  542    HG1  THR 172           HG1      THR 172  -9.988   0.436 -10.810
  543   1HG2  THR 172          HG21      THR 172 -10.564   2.796 -12.340
  544   2HG2  THR 172          HG22      THR 172  -8.998   2.511 -11.581
  545   3HG2  THR 172          HG23      THR 172  -9.899   3.983 -11.219
  546    H    LYS 173           HN       LYS 173 -12.014   3.320  -8.025
  547    HA   LYS 173           HA       LYS 173 -12.195   2.105  -5.531
  548   1HB   LYS 173          HB2       LYS 173 -14.522   2.776  -7.340
  549   2HB   LYS 173          HB3       LYS 173 -14.579   2.583  -5.594
  550   1HG   LYS 173          HG2       LYS 173 -13.056   4.528  -5.383
  551   2HG   LYS 173          HG3       LYS 173 -13.174   4.749  -7.130
  552   1HD   LYS 173          HD2       LYS 173 -15.566   5.093  -6.953
  553   2HD   LYS 173          HD3       LYS 173 -15.505   4.781  -5.217
  554   1HE   LYS 173          HE2       LYS 173 -14.011   6.740  -4.965
  555   2HE   LYS 173          HE3       LYS 173 -14.208   7.073  -6.685
  556   1HZ   LYS 173          HZ1       LYS 173 -16.562   7.387  -6.341
  557   2HZ   LYS 173          HZ2       LYS 173 -15.696   8.411  -5.303
  558   3HZ   LYS 173          HZ3       LYS 173 -16.413   6.996  -4.697
  559    H    ASP 174           HN       ASP 174 -12.961   0.831  -8.696
  560    HA   ASP 174           HA       ASP 174 -14.487  -1.376  -7.690
  561   1HB   ASP 174          HB2       ASP 174 -14.945  -0.304  -9.866
  562   2HB   ASP 174          HB3       ASP 174 -13.365  -0.819 -10.444
  563    H    ASP 175           HN       ASP 175 -11.187  -0.699  -8.349
  564    HA   ASP 175           HA       ASP 175 -10.318  -3.376  -8.900
  565   1HB   ASP 175          HB2       ASP 175  -8.908  -0.794  -8.280
  566   2HB   ASP 175          HB3       ASP 175  -8.032  -2.314  -8.369
  567    H    PHE 176           HN       PHE 176 -10.644  -1.449  -6.005
  568    HA   PHE 176           HA       PHE 176  -9.334  -3.521  -4.470
  569   1HB   PHE 176          HB2       PHE 176 -10.916  -1.085  -3.621
  570   2HB   PHE 176          HB3       PHE 176 -10.366  -2.285  -2.463
  571    HD1  PHE 176           HD1      PHE 176  -9.101   0.002  -5.101
  572    HD2  PHE 176           HD2      PHE 176  -8.305  -2.072  -1.471
  573    HE1  PHE 176           HE1      PHE 176  -6.964   1.195  -4.883
  574    HE2  PHE 176           HE2      PHE 176  -6.167  -0.882  -1.252
  575    HZ   PHE 176           HZ       PHE 176  -5.492   0.757  -2.960
  576    H    GLN 177           HN       GLN 177 -12.497  -2.957  -5.673
  577    HA   GLN 177           HA       GLN 177 -13.818  -4.473  -3.608
  578   1HB   GLN 177          HB2       GLN 177 -14.810  -3.534  -6.296
  579   2HB   GLN 177          HB3       GLN 177 -15.804  -4.197  -5.009
  580   1HG   GLN 177          HG2       GLN 177 -15.086  -2.319  -3.567
  581   2HG   GLN 177          HG3       GLN 177 -14.228  -1.651  -4.950
  582   1HE2  GLN 177          HE21      GLN 177 -15.431   0.206  -4.983
  583   2HE2  GLN 177          HE22      GLN 177 -17.076   0.247  -5.510
  584    H    ARG 178           HN       ARG 178 -11.857  -5.320  -6.112
  585    HA   ARG 178           HA       ARG 178 -13.231  -7.884  -6.547
  586   1HB   ARG 178          HB2       ARG 178 -11.573  -8.199  -8.408
  587   2HB   ARG 178          HB3       ARG 178 -12.704  -6.874  -8.642
  588   1HG   ARG 178          HG2       ARG 178 -11.090  -5.263  -8.356
  589   2HG   ARG 178          HG3       ARG 178 -10.040  -6.330  -7.423
  590   1HD   ARG 178          HD2       ARG 178  -9.315  -7.474  -9.335
  591   2HD   ARG 178          HD3       ARG 178 -10.629  -6.830 -10.322
  592    HE   ARG 178           HE       ARG 178  -9.495  -4.632 -10.133
  593   1HH1  ARG 178          HH12      ARG 178  -7.664  -7.579  -9.664
  594   2HH1  ARG 178          HH11      ARG 178  -6.141  -6.845 -10.085
  595   1HH2  ARG 178          HH22      ARG 178  -7.524  -3.667 -10.694
  596   2HH2  ARG 178          HH21      ARG 178  -6.056  -4.604 -10.635
  597    H    LEU 179           HN       LEU 179 -10.883  -6.527  -4.668
  598    HA   LEU 179           HA       LEU 179  -9.587  -9.155  -4.284
  599   1HB   LEU 179          HB2       LEU 179  -8.336  -6.467  -3.690
  600   2HB   LEU 179          HB3       LEU 179  -7.562  -8.034  -3.599
  601    HG   LEU 179           HG       LEU 179  -8.502  -6.684  -6.133
  602   1HD1  LEU 179          HD11      LEU 179  -6.121  -6.490  -6.643
  603   2HD1  LEU 179          HD12      LEU 179  -6.544  -5.610  -5.174
  604   3HD1  LEU 179          HD13      LEU 179  -5.727  -7.170  -5.064
  605   1HD2  LEU 179          HD21      LEU 179  -6.980  -9.260  -5.763
  606   2HD2  LEU 179          HD22      LEU 179  -8.668  -9.124  -6.256
  607   3HD2  LEU 179          HD23      LEU 179  -7.393  -8.501  -7.301
  608    H    THR 180           HN       THR 180 -11.235  -6.481  -2.994
  609    HA   THR 180           HA       THR 180 -11.859  -7.749  -0.525
  610    HB   THR 180           HB       THR 180 -10.201  -5.206  -0.382
  611    HG1  THR 180           HG1      THR 180  -9.410  -7.761  -0.484
  612   1HG2  THR 180          HG21      THR 180 -10.367  -5.497   2.026
  613   2HG2  THR 180          HG22      THR 180 -11.332  -6.956   1.797
  614   3HG2  THR 180          HG23      THR 180 -11.975  -5.390   1.305
  615    HA   PRO 181           HA       PRO 181 -14.953  -5.548  -2.838
  616   1HB   PRO 181          HB2       PRO 181 -16.837  -6.693  -0.865
  617   2HB   PRO 181          HB3       PRO 181 -16.794  -6.868  -2.622
  618   1HG   PRO 181          HG2       PRO 181 -16.057  -8.876  -1.037
  619   2HG   PRO 181          HG3       PRO 181 -15.190  -8.539  -2.548
  620   1HD   PRO 181          HD2       PRO 181 -14.427  -7.853   0.269
  621   2HD   PRO 181          HD3       PRO 181 -13.418  -8.490  -1.046
  622    H    SER 182           HN       SER 182 -17.151  -4.482  -2.351
  623    HA   SER 182           HA       SER 182 -16.638  -1.934  -1.447
  624   1HB   SER 182          HB2       SER 182 -19.430  -2.979  -1.372
  625   2HB   SER 182          HB3       SER 182 -18.801  -1.506  -2.112
  626    HG   SER 182           HG       SER 182 -18.274  -2.588  -3.887
  627    H    TYR 183           HN       TYR 183 -16.119  -1.373   0.525
  628    HA   TYR 183           HA       TYR 183 -17.474  -1.169   2.806
  629   1HB   TYR 183          HB2       TYR 183 -18.020  -3.550   2.886
  630   2HB   TYR 183          HB3       TYR 183 -16.323  -3.967   2.687
  631    HD1  TYR 183           HD1      TYR 183 -14.959  -4.303   4.556
  632    HD2  TYR 183           HD2      TYR 183 -18.690  -2.308   5.046
  633    HE1  TYR 183           HE1      TYR 183 -14.678  -4.396   6.994
  634    HE2  TYR 183           HE2      TYR 183 -18.416  -2.396   7.490
  635    HH   TYR 183           HH       TYR 183 -15.482  -3.133   8.995
  636    H    ASN 184           HN       ASN 184 -14.601  -3.088   2.144
  637    HA   ASN 184           HA       ASN 184 -13.002  -1.472   3.965
  638   1HB   ASN 184          HB2       ASN 184 -13.130  -4.147   3.458
  639   2HB   ASN 184          HB3       ASN 184 -11.747  -3.661   2.477
  640   1HD2  ASN 184          HD21      ASN 184 -12.076  -5.203   4.998
  641   2HD2  ASN 184          HD22      ASN 184 -10.959  -4.469   6.063
  642    H    ALA 185           HN       ALA 185 -13.399  -2.216   0.633
  643    HA   ALA 185           HA       ALA 185 -11.140  -1.186  -0.623
  644   1HB   ALA 185          HB1       ALA 185 -14.037  -0.921  -1.414
  645   2HB   ALA 185          HB2       ALA 185 -12.648  -0.681  -2.472
  646   3HB   ALA 185          HB3       ALA 185 -12.974  -2.277  -1.796
  647    H    ASP 186           HN       ASP 186 -14.150   0.398   0.309
  648    HA   ASP 186           HA       ASP 186 -13.450   3.074  -0.214
  649   1HB   ASP 186          HB2       ASP 186 -15.416   1.984   1.811
  650   2HB   ASP 186          HB3       ASP 186 -15.401   3.611   1.152
  651    H    ILE 187           HN       ILE 187 -12.147   1.149   2.191
  652    HA   ILE 187           HA       ILE 187 -11.789   3.427   3.992
  653    HB   ILE 187           HB       ILE 187 -11.135   0.489   4.289
  654   1HG1  ILE 187          HG12      ILE 187 -12.926   2.324   5.878
  655   2HG1  ILE 187          HG13      ILE 187 -13.486   1.228   4.619
  656   1HG2  ILE 187          HG21      ILE 187  -9.318   1.765   5.290
  657   2HG2  ILE 187          HG22      ILE 187 -10.480   2.742   6.191
  658   3HG2  ILE 187          HG23      ILE 187 -10.311   1.021   6.545
  659   1HD1  ILE 187          HD11      ILE 187 -12.698  -0.673   5.942
  660   2HD1  ILE 187          HD12      ILE 187 -12.170   0.435   7.208
  661   3HD1  ILE 187          HD13      ILE 187 -13.884   0.295   6.817
  662    H    LEU 188           HN       LEU 188  -9.863   0.855   2.537
  663    HA   LEU 188           HA       LEU 188  -7.330   1.929   2.816
  664   1HB   LEU 188          HB2       LEU 188  -8.332   0.271   0.521
  665   2HB   LEU 188          HB3       LEU 188  -6.670   0.470   1.049
  666    HG   LEU 188           HG       LEU 188  -8.809  -0.749   2.788
  667   1HD1  LEU 188          HD11      LEU 188  -8.532  -2.120   0.789
  668   2HD1  LEU 188          HD12      LEU 188  -6.785  -2.149   1.044
  669   3HD1  LEU 188          HD13      LEU 188  -7.861  -2.922   2.211
  670   1HD2  LEU 188          HD21      LEU 188  -5.799  -0.733   2.947
  671   2HD2  LEU 188          HD22      LEU 188  -6.909   0.158   3.991
  672   3HD2  LEU 188          HD23      LEU 188  -6.877  -1.605   4.036
  673    H    LEU 189           HN       LEU 189  -9.663   2.318   0.137
  674    HA   LEU 189           HA       LEU 189  -7.785   3.585  -1.614
  675   1HB   LEU 189          HB2       LEU 189  -9.862   2.314  -2.280
  676   2HB   LEU 189          HB3       LEU 189 -10.782   3.706  -1.755
  677    HG   LEU 189           HG       LEU 189  -9.500   5.100  -3.391
  678   1HD1  LEU 189          HD11      LEU 189  -8.302   3.982  -5.191
  679   2HD1  LEU 189          HD12      LEU 189  -7.545   3.632  -3.635
  680   3HD1  LEU 189          HD13      LEU 189  -8.565   2.420  -4.417
  681   1HD2  LEU 189          HD21      LEU 189 -10.759   4.344  -5.320
  682   2HD2  LEU 189          HD22      LEU 189 -11.055   2.795  -4.534
  683   3HD2  LEU 189          HD23      LEU 189 -11.743   4.271  -3.859
  684    H    SER 190           HN       SER 190  -9.823   4.727   0.959
  685    HA   SER 190           HA       SER 190  -9.931   7.411  -0.195
  686   1HB   SER 190          HB2       SER 190 -12.007   6.332   0.813
  687   2HB   SER 190          HB3       SER 190 -11.204   6.430   2.377
  688    HG   SER 190           HG       SER 190 -12.683   8.250   1.405
  689    H    HIS 191           HN       HIS 191  -8.347   5.379   2.001
  690    HA   HIS 191           HA       HIS 191  -7.179   7.517   3.557
  691   1HB   HIS 191          HB2       HIS 191  -7.176   4.546   3.630
  692   2HB   HIS 191          HB3       HIS 191  -5.777   5.358   4.329
  693    HD2  HIS 191           HD2      HIS 191  -7.084   7.744   5.952
  694    HE1  HIS 191           HE1      HIS 191  -9.760   4.861   7.509
  695    HE2  HIS 191           HE2      HIS 191  -8.981   7.269   7.656
  696    H    LEU 192           HN       LEU 192  -6.248   5.306   0.956
  697    HA   LEU 192           HA       LEU 192  -3.579   6.114   0.763
  698   1HB   LEU 192          HB2       LEU 192  -4.812   4.174  -0.436
  699   2HB   LEU 192          HB3       LEU 192  -5.248   5.381  -1.633
  700    HG   LEU 192           HG       LEU 192  -2.627   5.813  -1.611
  701   1HD1  LEU 192          HD11      LEU 192  -2.889   2.928  -0.803
  702   2HD1  LEU 192          HD12      LEU 192  -1.417   3.700  -1.394
  703   3HD1  LEU 192          HD13      LEU 192  -2.135   4.220   0.131
  704   1HD2  LEU 192          HD21      LEU 192  -2.413   4.364  -3.538
  705   2HD2  LEU 192          HD22      LEU 192  -3.892   3.509  -3.090
  706   3HD2  LEU 192          HD23      LEU 192  -3.962   5.207  -3.572
  707    H    HIS 193           HN       HIS 193  -6.550   7.343  -0.648
  708    HA   HIS 193           HA       HIS 193  -5.333   9.335  -2.275
  709   1HB   HIS 193          HB2       HIS 193  -8.156   8.797  -1.412
  710   2HB   HIS 193          HB3       HIS 193  -7.749  10.283  -2.267
  711    HD2  HIS 193           HD2      HIS 193  -5.541   7.793  -3.821
  712    HE1  HIS 193           HE1      HIS 193  -9.173   7.508  -5.967
  713    HE2  HIS 193           HE2      HIS 193  -6.669   7.124  -6.056
  714    H    TYR 194           HN       TYR 194  -5.683   9.165   1.062
  715    HA   TYR 194           HA       TYR 194  -6.051  12.050   1.399
  716   1HB   TYR 194          HB2       TYR 194  -7.310  10.775   2.998
  717   2HB   TYR 194          HB3       TYR 194  -5.929   9.748   3.362
  718    HD1  TYR 194           HD1      TYR 194  -7.285  13.170   3.743
  719    HD2  TYR 194           HD2      TYR 194  -4.365  10.361   5.044
  720    HE1  TYR 194           HE1      TYR 194  -6.709  14.648   5.617
  721    HE2  TYR 194           HE2      TYR 194  -3.780  11.837   6.923
  722    HH   TYR 194           HH       TYR 194  -3.918  14.190   7.525
  723    H    LEU 195           HN       LEU 195  -3.770   9.426   1.877
  724    HA   LEU 195           HA       LEU 195  -1.610  10.871   2.923
  725   1HB   LEU 195          HB2       LEU 195  -1.674   8.443   1.181
  726   2HB   LEU 195          HB3       LEU 195  -0.258   9.016   2.017
  727    HG   LEU 195           HG       LEU 195  -2.797   8.076   3.338
  728   1HD1  LEU 195          HD11      LEU 195  -1.441   6.165   4.052
  729   2HD1  LEU 195          HD12      LEU 195  -1.603   6.249   2.298
  730   3HD1  LEU 195          HD13      LEU 195  -0.102   6.762   3.070
  731   1HD2  LEU 195          HD21      LEU 195  -1.520   8.207   5.410
  732   2HD2  LEU 195          HD22      LEU 195  -0.142   8.866   4.528
  733   3HD2  LEU 195          HD23      LEU 195  -1.641   9.788   4.640
  734    H    ARG 196           HN       ARG 196  -2.755  10.325  -0.327
  735    HA   ARG 196           HA       ARG 196  -0.452  11.336  -1.715
  736   1HB   ARG 196          HB2       ARG 196  -1.799   9.631  -2.714
  737   2HB   ARG 196          HB3       ARG 196  -3.257  10.601  -2.556
  738   1HG   ARG 196          HG2       ARG 196  -2.424  12.149  -4.229
  739   2HG   ARG 196          HG3       ARG 196  -0.912  11.241  -4.334
  740   1HD   ARG 196          HD2       ARG 196  -2.029   9.331  -5.217
  741   2HD   ARG 196          HD3       ARG 196  -3.610  10.033  -4.884
  742    HE   ARG 196           HE       ARG 196  -3.459  11.268  -6.811
  743   1HH1  ARG 196          HH12      ARG 196  -0.337   9.866  -6.090
  744   2HH1  ARG 196          HH11      ARG 196   0.356  10.291  -7.620
  745   1HH2  ARG 196          HH22      ARG 196  -2.555  11.805  -8.857
  746   2HH2  ARG 196          HH21      ARG 196  -0.907  11.373  -9.191
  747    H    GLU 197           HN       GLU 197  -2.768  12.884   0.087
  748    HA   GLU 197           HA       GLU 197  -3.350  15.181  -1.442
  749   1HB   GLU 197          HB2       GLU 197  -4.290  14.389   0.854
  750   2HB   GLU 197          HB3       GLU 197  -2.913  15.230   1.542
  751   1HG   GLU 197          HG2       GLU 197  -4.736  16.669  -0.328
  752   2HG   GLU 197          HG3       GLU 197  -5.224  16.403   1.342
  753    H    THR 198           HN       THR 198  -0.496  14.088   0.181
  754    HA   THR 198           HA       THR 198   0.871  16.610  -0.473
  755    HB   THR 198           HB       THR 198   2.635  15.682   1.156
  756    HG1  THR 198           HG1      THR 198   1.241  13.572   1.130
  757   1HG2  THR 198          HG21      THR 198  -0.083  16.455   2.219
  758   2HG2  THR 198          HG22      THR 198   1.182  17.571   1.707
  759   3HG2  THR 198          HG23      THR 198   1.434  16.537   3.113
  760    HA   PRO 199           HA       PRO 199   2.231  13.345  -3.537
  761   1HB   PRO 199          HB2       PRO 199   2.741  15.761  -5.172
  762   2HB   PRO 199          HB3       PRO 199   1.834  14.301  -5.577
  763   1HG   PRO 199          HG2       PRO 199   0.577  16.602  -5.103
  764   2HG   PRO 199          HG3       PRO 199  -0.101  15.058  -4.551
  765   1HD   PRO 199          HD2       PRO 199   1.386  17.139  -2.990
  766   2HD   PRO 199          HD3       PRO 199  -0.062  16.215  -2.538
  767    H    LEU 200           HN       LEU 200   4.221  12.673  -4.076
  768    HA   LEU 200           HA       LEU 200   6.416  14.084  -2.790
  769   1HB   LEU 200          HB2       LEU 200   5.886  11.663  -2.336
  770   2HB   LEU 200          HB3       LEU 200   6.399  11.305  -3.968
  771    HG   LEU 200           HG       LEU 200   8.063  10.816  -2.136
  772   1HD1  LEU 200          HD11      LEU 200   9.983  11.626  -3.400
  773   2HD1  LEU 200          HD12      LEU 200   8.743  10.960  -4.462
  774   3HD1  LEU 200          HD13      LEU 200   8.933  12.708  -4.314
  775   1HD2  LEU 200          HD21      LEU 200   7.664  12.828  -0.800
  776   2HD2  LEU 200          HD22      LEU 200   9.363  12.674  -1.252
  777   3HD2  LEU 200          HD23      LEU 200   8.324  13.821  -2.099
  778    HA   PRO 201           HA       PRO 201   8.377  13.391  -7.133
  779   1HB   PRO 201          HB2       PRO 201   6.229  12.719  -8.991
  780   2HB   PRO 201          HB3       PRO 201   7.738  11.860  -8.675
  781   1HG   PRO 201          HG2       PRO 201   5.324  10.890  -7.939
  782   2HG   PRO 201          HG3       PRO 201   6.806  10.566  -7.022
  783   1HD   PRO 201          HD2       PRO 201   4.626  12.543  -6.469
  784   2HD   PRO 201          HD3       PRO 201   5.500  11.486  -5.340
  Start of MODEL   10
    1   1H    GLY 105           H1       GLY 105  25.172 -17.357   4.023
    2   2H    GLY 105           H2       GLY 105  26.693 -17.604   3.323
    3   3H    GLY 105           H3       GLY 105  25.322 -18.347   2.657
    4   1HA   GLY 105          HA2       GLY 105  25.761 -15.416   2.777
    5   2HA   GLY 105          HA1       GLY 105  26.082 -16.416   1.365
    6    H    SER 106           HN       SER 106  23.979 -14.266   2.411
    7    HA   SER 106           HA       SER 106  21.500 -15.635   1.965
    8   1HB   SER 106          HB2       SER 106  22.126 -12.684   2.170
    9   2HB   SER 106          HB3       SER 106  20.501 -13.370   2.120
   10    HG   SER 106           HG       SER 106  22.247 -14.413   4.030
   11    H    HIS 107           HN       HIS 107  21.170 -16.422   0.029
   12    HA   HIS 107           HA       HIS 107  21.242 -14.625  -2.288
   13   1HB   HIS 107          HB2       HIS 107  22.598 -17.325  -2.138
   14   2HB   HIS 107          HB3       HIS 107  22.189 -16.547  -3.659
   15    HD2  HIS 107           HD2      HIS 107  24.707 -16.166  -0.704
   16    HE1  HIS 107           HE1      HIS 107  25.904 -13.696  -3.924
   17    HE2  HIS 107           HE2      HIS 107  26.646 -14.817  -1.775
   18    H    MET 108           HN       MET 108  20.470 -17.868  -1.108
   19    HA   MET 108           HA       MET 108  18.434 -18.263  -3.125
   20   1HB   MET 108          HB2       MET 108  19.220 -19.974  -0.756
   21   2HB   MET 108          HB3       MET 108  18.152 -20.465  -2.063
   22   1HG   MET 108          HG2       MET 108  19.942 -20.403  -3.639
   23   2HG   MET 108          HG3       MET 108  21.027 -19.679  -2.455
   24   1HE   MET 108          HE1       MET 108  18.997 -22.906  -3.431
   25   2HE   MET 108          HE2       MET 108  19.419 -23.996  -2.110
   26   3HE   MET 108          HE3       MET 108  18.436 -22.566  -1.794
   27    H    GLU 109           HN       GLU 109  18.668 -17.488   0.264
   28    HA   GLU 109           HA       GLU 109  15.798 -17.772   0.669
   29   1HB   GLU 109          HB2       GLU 109  16.277 -17.317   3.018
   30   2HB   GLU 109          HB3       GLU 109  17.334 -18.581   2.413
   31   1HG   GLU 109          HG2       GLU 109  18.241 -15.730   2.507
   32   2HG   GLU 109          HG3       GLU 109  18.311 -16.755   3.938
   33    H    GLU 110           HN       GLU 110  18.081 -15.345  -0.102
   34    HA   GLU 110           HA       GLU 110  16.469 -13.212   1.046
   35   1HB   GLU 110          HB2       GLU 110  18.954 -13.211   1.279
   36   2HB   GLU 110          HB3       GLU 110  19.075 -12.997  -0.463
   37   1HG   GLU 110          HG2       GLU 110  18.000 -10.863  -0.337
   38   2HG   GLU 110          HG3       GLU 110  17.649 -11.091   1.376
   39    H    LYS 111           HN       LYS 111  14.713 -12.889  -0.130
   40    HA   LYS 111           HA       LYS 111  14.768 -12.790  -3.018
   41   1HB   LYS 111          HB2       LYS 111  12.826 -13.692  -1.776
   42   2HB   LYS 111          HB3       LYS 111  12.574 -12.119  -1.039
   43   1HG   LYS 111          HG2       LYS 111  11.994 -11.154  -3.156
   44   2HG   LYS 111          HG3       LYS 111  12.420 -12.644  -3.999
   45   1HD   LYS 111          HD2       LYS 111   9.999 -12.442  -3.721
   46   2HD   LYS 111          HD3       LYS 111  10.634 -13.828  -2.832
   47   1HE   LYS 111          HE2       LYS 111  10.639 -12.439  -0.778
   48   2HE   LYS 111          HE3       LYS 111   9.883 -11.136  -1.695
   49   1HZ   LYS 111          HZ1       LYS 111   7.997 -12.576  -2.130
   50   2HZ   LYS 111          HZ2       LYS 111   8.252 -12.425  -0.457
   51   3HZ   LYS 111          HZ3       LYS 111   8.726 -13.841  -1.266
   52    H    HIS 112           HN       HIS 112  14.137 -10.857  -4.212
   53    HA   HIS 112           HA       HIS 112  15.629  -8.595  -3.416
   54   1HB   HIS 112          HB2       HIS 112  13.627  -8.953  -5.649
   55   2HB   HIS 112          HB3       HIS 112  14.615  -7.511  -5.438
   56    HD2  HIS 112           HD2      HIS 112  17.454  -8.047  -5.637
   57    HE1  HIS 112           HE1      HIS 112  16.771 -11.463  -8.034
   58    HE2  HIS 112           HE2      HIS 112  18.541  -9.936  -7.043
   59    H    MET 113           HN       MET 113  14.741  -8.084  -1.380
   60    HA   MET 113           HA       MET 113  12.123  -6.772  -1.376
   61   1HB   MET 113          HB2       MET 113  14.024  -7.260   0.931
   62   2HB   MET 113          HB3       MET 113  12.361  -6.705   1.048
   63   1HG   MET 113          HG2       MET 113  13.262  -9.402   0.055
   64   2HG   MET 113          HG3       MET 113  12.568  -9.054   1.638
   65   1HE   MET 113          HE1       MET 113  10.262  -7.017   1.009
   66   2HE   MET 113          HE2       MET 113   8.892  -8.099   0.762
   67   3HE   MET 113          HE3       MET 113  10.049  -8.421   2.053
   68    HA   PRO 114           HA       PRO 114  14.314  -2.999  -2.293
   69   1HB   PRO 114          HB2       PRO 114  11.705  -1.785  -1.598
   70   2HB   PRO 114          HB3       PRO 114  12.646  -1.660  -3.088
   71   1HG   PRO 114          HG2       PRO 114  10.419  -3.118  -3.000
   72   2HG   PRO 114          HG3       PRO 114  11.833  -3.669  -3.921
   73   1HD   PRO 114          HD2       PRO 114  10.878  -4.537  -1.215
   74   2HD   PRO 114          HD3       PRO 114  11.499  -5.522  -2.558
   75    HA   PRO 115           HA       PRO 115  15.177  -1.294   1.730
   76   1HB   PRO 115          HB2       PRO 115  16.632   0.828   0.982
   77   2HB   PRO 115          HB3       PRO 115  17.232  -0.821   0.769
   78   1HG   PRO 115          HG2       PRO 115  16.003   1.019  -1.246
   79   2HG   PRO 115          HG3       PRO 115  17.404  -0.051  -1.416
   80   1HD   PRO 115          HD2       PRO 115  14.882  -0.671  -2.302
   81   2HD   PRO 115          HD3       PRO 115  16.109  -1.876  -1.867
   82    HA   PRO 116           HA       PRO 116  12.368   1.952   2.979
   83   1HB   PRO 116          HB2       PRO 116  14.846   3.488   3.678
   84   2HB   PRO 116          HB3       PRO 116  13.377   3.236   4.629
   85   1HG   PRO 116          HG2       PRO 116  15.562   1.839   5.168
   86   2HG   PRO 116          HG3       PRO 116  13.967   1.061   5.206
   87   1HD   PRO 116          HD2       PRO 116  16.132   0.849   3.175
   88   2HD   PRO 116          HD3       PRO 116  14.946  -0.365   3.694
   89    H    ASN 117           HN       ASN 117  11.405   3.676   1.990
   90    HA   ASN 117           HA       ASN 117  12.692   4.535  -0.475
   91   1HB   ASN 117          HB2       ASN 117   9.876   4.402   0.468
   92   2HB   ASN 117          HB3       ASN 117  10.280   5.604  -0.756
   93   1HD2  ASN 117          HD21      ASN 117   9.972   2.234  -0.035
   94   2HD2  ASN 117          HD22      ASN 117  10.118   1.661  -1.665
   95    H    MET 118           HN       MET 118  10.435   6.377   1.591
   96    HA   MET 118           HA       MET 118  12.247   8.663   1.184
   97   1HB   MET 118          HB2       MET 118   9.230   8.799   1.119
   98   2HB   MET 118          HB3       MET 118  10.348  10.121   0.832
   99   1HG   MET 118          HG2       MET 118   9.852   7.731  -0.915
  100   2HG   MET 118          HG3       MET 118   9.483   9.418  -1.258
  101   1HE   MET 118          HE1       MET 118  12.102  10.890  -0.212
  102   2HE   MET 118          HE2       MET 118  13.067  10.962  -1.687
  103   3HE   MET 118          HE3       MET 118  11.334  11.280  -1.751
  104    H    THR 119           HN       THR 119  12.219  10.276   2.721
  105    HA   THR 119           HA       THR 119  11.691   9.411   5.405
  106    HB   THR 119           HB       THR 119  12.570  11.721   5.958
  107    HG1  THR 119           HG1      THR 119  13.494  12.860   4.172
  108   1HG2  THR 119          HG21      THR 119  14.872  11.200   5.317
  109   2HG2  THR 119          HG22      THR 119  14.288  10.016   4.147
  110   3HG2  THR 119          HG23      THR 119  14.038   9.748   5.874
  111    H    THR 120           HN       THR 120   9.815  10.791   3.022
  112    HA   THR 120           HA       THR 120   8.394  12.825   4.261
  113    HB   THR 120           HB       THR 120   6.879  10.964   2.504
  114    HG1  THR 120           HG1      THR 120   9.295  12.282   1.800
  115   1HG2  THR 120          HG21      THR 120   5.937  13.110   3.181
  116   2HG2  THR 120          HG22      THR 120   6.242  13.087   1.443
  117   3HG2  THR 120          HG23      THR 120   7.342  13.947   2.521
  118    H    ASN 121           HN       ASN 121   7.940   9.330   4.409
  119    HA   ASN 121           HA       ASN 121   6.084   9.771   6.656
  120   1HB   ASN 121          HB2       ASN 121   6.080   7.614   4.551
  121   2HB   ASN 121          HB3       ASN 121   5.323   7.352   6.119
  122   1HD2  ASN 121          HD21      ASN 121   5.118   8.968   3.078
  123   2HD2  ASN 121          HD22      ASN 121   3.538   9.638   3.305
  124    H    GLU 122           HN       GLU 122   8.948   9.721   6.766
  125    HA   GLU 122           HA       GLU 122  10.081   7.283   7.463
  126   1HB   GLU 122          HB2       GLU 122  11.313   9.426   7.151
  127   2HB   GLU 122          HB3       GLU 122  10.708   9.957   8.713
  128   1HG   GLU 122          HG2       GLU 122  11.825   7.941   9.714
  129   2HG   GLU 122          HG3       GLU 122  12.597   7.694   8.149
  130    H    ARG 123           HN       ARG 123   8.053   9.419   9.354
  131    HA   ARG 123           HA       ARG 123   8.600   8.070  11.855
  132   1HB   ARG 123          HB2       ARG 123   6.368  10.027  11.289
  133   2HB   ARG 123          HB3       ARG 123   7.101   9.651  12.842
  134   1HG   ARG 123          HG2       ARG 123   8.474  11.050  10.558
  135   2HG   ARG 123          HG3       ARG 123   7.800  11.832  11.988
  136   1HD   ARG 123          HD2       ARG 123   9.981   9.757  12.029
  137   2HD   ARG 123          HD3       ARG 123  10.252  11.496  12.099
  138    HE   ARG 123           HE       ARG 123   8.464  10.609  14.148
  139   1HH1  ARG 123          HH12      ARG 123  11.836  10.918  13.245
  140   2HH1  ARG 123          HH11      ARG 123  12.416  10.823  14.886
  141   1HH2  ARG 123          HH22      ARG 123   9.217  10.559  16.320
  142   2HH2  ARG 123          HH21      ARG 123  10.927  10.674  16.634
  143    H    ARG 124           HN       ARG 124   6.961   7.098   9.241
  144    HA   ARG 124           HA       ARG 124   4.934   5.654  10.814
  145   1HB   ARG 124          HB2       ARG 124   4.470   6.871   8.090
  146   2HB   ARG 124          HB3       ARG 124   3.311   5.930   9.011
  147   1HG   ARG 124          HG2       ARG 124   3.114   7.666  10.651
  148   2HG   ARG 124          HG3       ARG 124   4.435   8.575   9.903
  149   1HD   ARG 124          HD2       ARG 124   3.122   8.832   7.871
  150   2HD   ARG 124          HD3       ARG 124   1.816   7.884   8.576
  151    HE   ARG 124           HE       ARG 124   1.863   9.805  10.334
  152   1HH1  ARG 124          HH12      ARG 124   2.415  10.132   6.883
  153   2HH1  ARG 124          HH11      ARG 124   1.718  11.725   6.790
  154   1HH2  ARG 124          HH22      ARG 124   0.933  11.898  10.212
  155   2HH2  ARG 124          HH21      ARG 124   0.839  12.710   8.674
  156    H    VAL 125           HN       VAL 125   5.386   5.676   7.335
  157    HA   VAL 125           HA       VAL 125   5.789   2.773   7.466
  158    HB   VAL 125           HB       VAL 125   4.650   4.338   5.150
  159   1HG1  VAL 125          HG11      VAL 125   4.542   1.402   5.802
  160   2HG1  VAL 125          HG12      VAL 125   3.753   2.183   4.431
  161   3HG1  VAL 125          HG13      VAL 125   5.513   2.159   4.538
  162   1HG2  VAL 125          HG21      VAL 125   2.435   3.632   5.875
  163   2HG2  VAL 125          HG22      VAL 125   3.132   2.905   7.324
  164   3HG2  VAL 125          HG23      VAL 125   3.211   4.652   7.087
  165    H    ILE 126           HN       ILE 126   7.369   5.570   6.819
  166    HA   ILE 126           HA       ILE 126   9.232   6.226   5.742
  167    HB   ILE 126           HB       ILE 126   9.921   3.273   5.660
  168   1HG1  ILE 126          HG12      ILE 126  11.410   4.004   7.638
  169   2HG1  ILE 126          HG13      ILE 126  10.380   5.425   7.731
  170   1HG2  ILE 126          HG21      ILE 126  11.264   4.623   4.114
  171   2HG2  ILE 126          HG22      ILE 126  11.696   5.707   5.435
  172   3HG2  ILE 126          HG23      ILE 126  12.240   4.028   5.458
  173   1HD1  ILE 126          HD11      ILE 126   8.450   4.003   8.158
  174   2HD1  ILE 126          HD12      ILE 126   9.471   2.570   8.033
  175   3HD1  ILE 126          HD13      ILE 126   9.728   3.725   9.342
  176    H    VAL 127           HN       VAL 127   7.197   6.388   4.197
  177    HA   VAL 127           HA       VAL 127   8.044   5.363   1.579
  178    HB   VAL 127           HB       VAL 127   5.659   5.089   0.967
  179   1HG1  VAL 127          HG11      VAL 127   5.279   3.001   2.164
  180   2HG1  VAL 127          HG12      VAL 127   6.962   3.158   1.658
  181   3HG1  VAL 127          HG13      VAL 127   6.515   3.447   3.340
  182   1HG2  VAL 127          HG21      VAL 127   5.198   5.655   3.888
  183   2HG2  VAL 127          HG22      VAL 127   4.591   6.571   2.512
  184   3HG2  VAL 127          HG23      VAL 127   3.993   4.938   2.820
  185    HA   PRO 128           HA       PRO 128   7.387   9.496   0.000
  186   1HB   PRO 128          HB2       PRO 128   6.143   8.823  -2.374
  187   2HB   PRO 128          HB3       PRO 128   7.891   8.866  -2.128
  188   1HG   PRO 128          HG2       PRO 128   6.021   6.531  -2.062
  189   2HG   PRO 128          HG3       PRO 128   7.644   6.640  -2.773
  190   1HD   PRO 128          HD2       PRO 128   7.272   5.452  -0.408
  191   2HD   PRO 128          HD3       PRO 128   8.695   6.465  -0.699
  192    H    ALA 129           HN       ALA 129   5.838  10.798   0.658
  193    HA   ALA 129           HA       ALA 129   3.205  10.347   1.199
  194   1HB   ALA 129          HB1       ALA 129   4.376  12.447   1.646
  195   2HB   ALA 129          HB2       ALA 129   4.308  12.842  -0.072
  196   3HB   ALA 129          HB3       ALA 129   2.819  12.715   0.863
  197    H    ASP 130           HN       ASP 130   4.650  10.572  -1.947
  198    HA   ASP 130           HA       ASP 130   2.127  10.229  -3.344
  199   1HB   ASP 130          HB2       ASP 130   4.595  11.186  -4.125
  200   2HB   ASP 130          HB3       ASP 130   4.634   9.537  -4.719
  201    HA   PRO 131           HA       PRO 131   2.371   5.879  -2.293
  202   1HB   PRO 131          HB2       PRO 131  -0.246   5.877  -3.633
  203   2HB   PRO 131          HB3       PRO 131   0.169   5.412  -1.981
  204   1HG   PRO 131          HG2       PRO 131  -1.211   7.648  -2.500
  205   2HG   PRO 131          HG3       PRO 131  -0.020   7.572  -1.185
  206   1HD   PRO 131          HD2       PRO 131   0.277   8.713  -3.940
  207   2HD   PRO 131          HD3       PRO 131   0.793   9.394  -2.380
  208    H    THR 132           HN       THR 132   3.354   7.175  -4.879
  209    HA   THR 132           HA       THR 132   2.592   5.186  -6.818
  210    HB   THR 132           HB       THR 132   4.157   6.655  -8.243
  211    HG1  THR 132           HG1      THR 132   3.611   8.802  -6.637
  212   1HG2  THR 132          HG21      THR 132   1.694   6.669  -8.411
  213   2HG2  THR 132          HG22      THR 132   2.387   8.273  -8.656
  214   3HG2  THR 132          HG23      THR 132   1.636   7.864  -7.113
  215    H    LEU 133           HN       LEU 133   5.362   6.259  -4.967
  216    HA   LEU 133           HA       LEU 133   7.014   4.186  -6.218
  217   1HB   LEU 133          HB2       LEU 133   8.155   6.060  -4.225
  218   2HB   LEU 133          HB3       LEU 133   8.841   5.482  -5.729
  219    HG   LEU 133           HG       LEU 133   6.678   7.589  -5.608
  220   1HD1  LEU 133          HD11      LEU 133   8.469   9.211  -5.965
  221   2HD1  LEU 133          HD12      LEU 133   8.641   8.381  -4.417
  222   3HD1  LEU 133          HD13      LEU 133   9.667   7.931  -5.780
  223   1HD2  LEU 133          HD21      LEU 133   8.610   6.794  -7.790
  224   2HD2  LEU 133          HD22      LEU 133   6.896   6.383  -7.739
  225   3HD2  LEU 133          HD23      LEU 133   7.394   8.069  -7.883
  226    H    TRP 134           HN       TRP 134   5.017   4.245  -3.574
  227    HA   TRP 134           HA       TRP 134   6.428   2.936  -1.655
  228   1HB   TRP 134          HB2       TRP 134   3.696   2.259  -2.746
  229   2HB   TRP 134          HB3       TRP 134   4.348   1.606  -1.248
  230    HD1  TRP 134           HD1      TRP 134   5.566   4.899  -1.022
  231    HE1  TRP 134           HE1      TRP 134   3.974   6.496   0.199
  232    HE3  TRP 134           HE3      TRP 134   1.314   2.085  -1.250
  233    HZ2  TRP 134           HZ2      TRP 134   1.267   6.541   0.983
  234    HZ3  TRP 134           HZ3      TRP 134  -0.747   2.982  -0.245
  235    HH2  TRP 134           HH2      TRP 134  -0.763   5.159   0.859
  236    H    SER 135           HN       SER 135   7.776   1.232  -1.792
  237    HA   SER 135           HA       SER 135   7.991  -0.292  -4.142
  238   1HB   SER 135          HB2       SER 135   9.140  -0.774  -1.392
  239   2HB   SER 135          HB3       SER 135   9.613  -1.649  -2.851
  240    HG   SER 135           HG       SER 135  10.589   0.108  -3.633
  241    H    THR 136           HN       THR 136   7.716  -2.460  -4.410
  242    HA   THR 136           HA       THR 136   5.402  -3.753  -4.050
  243    HB   THR 136           HB       THR 136   6.719  -5.975  -3.838
  244    HG1  THR 136           HG1      THR 136   8.988  -5.607  -4.431
  245   1HG2  THR 136          HG21      THR 136   7.447  -5.836  -6.178
  246   2HG2  THR 136          HG22      THR 136   7.273  -4.082  -6.127
  247   3HG2  THR 136          HG23      THR 136   5.853  -5.114  -5.955
  248    H    ASP 137           HN       ASP 137   7.948  -3.713  -1.557
  249    HA   ASP 137           HA       ASP 137   6.346  -5.328   0.250
  250   1HB   ASP 137          HB2       ASP 137   8.179  -5.166   1.814
  251   2HB   ASP 137          HB3       ASP 137   8.831  -5.568   0.226
  252    H    HIS 138           HN       HIS 138   7.268  -1.884  -0.166
  253    HA   HIS 138           HA       HIS 138   6.209  -1.044   2.282
  254   1HB   HIS 138          HB2       HIS 138   6.891   0.344  -0.288
  255   2HB   HIS 138          HB3       HIS 138   6.211   1.209   1.084
  256    HD2  HIS 138           HD2      HIS 138   7.845   1.297   3.361
  257    HE1  HIS 138           HE1      HIS 138  11.316   0.107   1.255
  258    HE2  HIS 138           HE2      HIS 138  10.389   0.769   3.523
  259    H    VAL 139           HN       VAL 139   4.503  -2.212  -0.416
  260    HA   VAL 139           HA       VAL 139   2.404  -0.218  -0.115
  261    HB   VAL 139           HB       VAL 139   2.997  -2.264  -2.222
  262   1HG1  VAL 139          HG11      VAL 139   0.175  -1.357  -1.617
  263   2HG1  VAL 139          HG12      VAL 139   0.683  -2.258  -3.045
  264   3HG1  VAL 139          HG13      VAL 139   0.786  -3.002  -1.449
  265   1HG2  VAL 139          HG21      VAL 139   2.227  -0.483  -3.685
  266   2HG2  VAL 139          HG22      VAL 139   1.724   0.459  -2.281
  267   3HG2  VAL 139          HG23      VAL 139   3.436   0.119  -2.547
  268    H    ARG 140           HN       ARG 140   3.340  -3.526   0.111
  269    HA   ARG 140           HA       ARG 140   1.024  -4.705   1.211
  270   1HB   ARG 140          HB2       ARG 140   3.271  -5.703   0.236
  271   2HB   ARG 140          HB3       ARG 140   3.804  -5.590   1.905
  272   1HG   ARG 140          HG2       ARG 140   1.507  -6.870   2.295
  273   2HG   ARG 140          HG3       ARG 140   1.838  -7.388   0.663
  274   1HD   ARG 140          HD2       ARG 140   2.820  -8.995   2.100
  275   2HD   ARG 140          HD3       ARG 140   4.134  -8.037   1.421
  276    HE   ARG 140           HE       ARG 140   3.039  -7.546   4.124
  277   1HH1  ARG 140          HH12      ARG 140   5.764  -7.974   1.960
  278   2HH1  ARG 140          HH11      ARG 140   6.946  -7.675   3.198
  279   1HH2  ARG 140          HH22      ARG 140   4.554  -7.180   5.721
  280   2HH2  ARG 140          HH21      ARG 140   6.256  -7.210   5.349
  281    H    GLN 141           HN       GLN 141   3.677  -2.869   2.444
  282    HA   GLN 141           HA       GLN 141   3.490  -3.541   5.161
  283   1HB   GLN 141          HB2       GLN 141   5.495  -2.540   4.482
  284   2HB   GLN 141          HB3       GLN 141   4.668  -1.199   3.704
  285   1HG   GLN 141          HG2       GLN 141   4.232  -0.122   5.711
  286   2HG   GLN 141          HG3       GLN 141   4.449  -1.603   6.654
  287   1HE2  GLN 141          HE21      GLN 141   6.760  -0.991   4.182
  288   2HE2  GLN 141          HE22      GLN 141   8.041  -0.455   5.210
  289    H    TRP 142           HN       TRP 142   2.476  -0.390   3.676
  290    HA   TRP 142           HA       TRP 142   0.936   0.402   5.844
  291   1HB   TRP 142          HB2       TRP 142   1.418   1.920   3.941
  292   2HB   TRP 142          HB3       TRP 142   0.305   0.999   2.939
  293    HD1  TRP 142           HD1      TRP 142   0.277   3.250   6.072
  294    HE1  TRP 142           HE1      TRP 142  -2.115   4.126   6.442
  295    HE3  TRP 142           HE3      TRP 142  -2.095   0.752   2.290
  296    HZ2  TRP 142           HZ2      TRP 142  -4.651   3.821   5.287
  297    HZ3  TRP 142           HZ3      TRP 142  -4.505   1.123   1.972
  298    HH2  TRP 142           HH2      TRP 142  -5.756   2.630   3.434
  299    H    LEU 143           HN       LEU 143  -0.116  -1.112   2.905
  300    HA   LEU 143           HA       LEU 143  -2.696  -1.552   3.368
  301   1HB   LEU 143          HB2       LEU 143  -1.380  -2.245   1.381
  302   2HB   LEU 143          HB3       LEU 143  -0.841  -3.648   2.265
  303    HG   LEU 143           HG       LEU 143  -3.429  -4.112   2.437
  304   1HD1  LEU 143          HD11      LEU 143  -3.157  -2.404  -0.027
  305   2HD1  LEU 143          HD12      LEU 143  -4.542  -3.438   0.345
  306   3HD1  LEU 143          HD13      LEU 143  -4.157  -2.069   1.391
  307   1HD2  LEU 143          HD21      LEU 143  -3.219  -5.494   0.460
  308   2HD2  LEU 143          HD22      LEU 143  -1.806  -4.567  -0.049
  309   3HD2  LEU 143          HD23      LEU 143  -1.739  -5.538   1.422
  310    H    GLU 144           HN       GLU 144  -0.125  -3.382   4.821
  311    HA   GLU 144           HA       GLU 144  -1.936  -5.160   6.272
  312   1HB   GLU 144          HB2       GLU 144   1.030  -4.745   6.375
  313   2HB   GLU 144          HB3       GLU 144   0.240  -5.570   7.710
  314   1HG   GLU 144          HG2       GLU 144  -0.630  -7.234   6.136
  315   2HG   GLU 144          HG3       GLU 144   0.212  -6.407   4.828
  316    H    TRP 145           HN       TRP 145   0.290  -2.585   7.186
  317    HA   TRP 145           HA       TRP 145  -0.558  -2.129   9.797
  318   1HB   TRP 145          HB2       TRP 145   1.342  -0.985   9.485
  319   2HB   TRP 145          HB3       TRP 145   1.042  -0.768   7.770
  320    HD1  TRP 145           HD1      TRP 145   0.684   1.598   7.041
  321    HE1  TRP 145           HE1      TRP 145   0.075   3.811   8.164
  322    HE3  TRP 145           HE3      TRP 145  -0.144  -0.114  11.751
  323    HZ2  TRP 145           HZ2      TRP 145  -0.685   4.732  10.739
  324    HZ3  TRP 145           HZ3      TRP 145  -0.792   1.486  13.499
  325    HH2  TRP 145           HH2      TRP 145  -1.053   3.862  13.007
  326    H    ALA 146           HN       ALA 146  -2.407  -1.846   7.129
  327    HA   ALA 146           HA       ALA 146  -3.951   0.514   7.971
  328   1HB   ALA 146          HB1       ALA 146  -5.110   0.275   5.833
  329   2HB   ALA 146          HB2       ALA 146  -3.364   0.403   5.619
  330   3HB   ALA 146          HB3       ALA 146  -4.156  -1.167   5.480
  331    H    VAL 147           HN       VAL 147  -4.462  -2.741   6.796
  332    HA   VAL 147           HA       VAL 147  -6.945  -3.334   7.807
  333    HB   VAL 147           HB       VAL 147  -4.542  -5.155   7.613
  334   1HG1  VAL 147          HG11      VAL 147  -6.124  -7.021   7.664
  335   2HG1  VAL 147          HG12      VAL 147  -6.158  -6.107   9.172
  336   3HG1  VAL 147          HG13      VAL 147  -7.444  -5.896   7.984
  337   1HG2  VAL 147          HG21      VAL 147  -6.887  -4.662   5.782
  338   2HG2  VAL 147          HG22      VAL 147  -5.206  -4.217   5.492
  339   3HG2  VAL 147          HG23      VAL 147  -5.668  -5.917   5.547
  340    H    LYS 148           HN       LYS 148  -3.859  -3.250   9.513
  341    HA   LYS 148           HA       LYS 148  -5.002  -4.389  11.889
  342   1HB   LYS 148          HB2       LYS 148  -2.866  -4.236  12.893
  343   2HB   LYS 148          HB3       LYS 148  -2.617  -4.739  11.229
  344   1HG   LYS 148          HG2       LYS 148  -2.025  -2.432  10.646
  345   2HG   LYS 148          HG3       LYS 148  -2.218  -1.974  12.337
  346   1HD   LYS 148          HD2       LYS 148   0.131  -2.360  11.804
  347   2HD   LYS 148          HD3       LYS 148  -0.456  -3.545  12.971
  348   1HE   LYS 148          HE2       LYS 148  -0.741  -5.175  11.165
  349   2HE   LYS 148          HE3       LYS 148  -0.142  -3.992  10.003
  350   1HZ   LYS 148          HZ1       LYS 148   1.383  -5.127  12.283
  351   2HZ   LYS 148          HZ2       LYS 148   1.963  -3.956  11.204
  352   3HZ   LYS 148          HZ3       LYS 148   1.600  -5.514  10.644
  353    H    GLU 149           HN       GLU 149  -4.257  -0.912  10.850
  354    HA   GLU 149           HA       GLU 149  -5.121   0.014  13.314
  355   1HB   GLU 149          HB2       GLU 149  -3.663   1.253  11.765
  356   2HB   GLU 149          HB3       GLU 149  -4.916   1.263  10.532
  357   1HG   GLU 149          HG2       GLU 149  -4.748   3.415  11.568
  358   2HG   GLU 149          HG3       GLU 149  -6.294   2.684  11.973
  359    H    TYR 150           HN       TYR 150  -6.661   0.558  10.210
  360    HA   TYR 150           HA       TYR 150  -9.062   1.293  11.130
  361   1HB   TYR 150          HB2       TYR 150  -8.569  -0.023   8.476
  362   2HB   TYR 150          HB3       TYR 150  -9.792   1.171   8.874
  363    HD1  TYR 150           HD1      TYR 150  -8.550   3.289  10.232
  364    HD2  TYR 150           HD2      TYR 150  -6.901   0.868   7.147
  365    HE1  TYR 150           HE1      TYR 150  -7.032   5.120   9.608
  366    HE2  TYR 150           HE2      TYR 150  -5.374   2.692   6.523
  367    HH   TYR 150           HH       TYR 150  -5.355   5.214   6.719
  368    H    GLY 151           HN       GLY 151  -8.023  -1.918  11.313
  369   1HA   GLY 151          HA1       GLY 151  -9.104  -3.717  12.214
  370   2HA   GLY 151          HA2       GLY 151 -10.498  -2.679  12.457
  371    H    LEU 152           HN       LEU 152  -8.815  -3.800   9.539
  372    HA   LEU 152           HA       LEU 152 -11.353  -4.245   8.237
  373   1HB   LEU 152          HB2       LEU 152  -8.581  -4.850   7.232
  374   2HB   LEU 152          HB3       LEU 152 -10.044  -4.710   6.272
  375    HG   LEU 152           HG       LEU 152  -8.612  -2.498   7.719
  376   1HD1  LEU 152          HD11      LEU 152  -8.308  -1.550   5.510
  377   2HD1  LEU 152          HD12      LEU 152  -7.585  -3.154   5.622
  378   3HD1  LEU 152          HD13      LEU 152  -9.128  -2.940   4.795
  379   1HD2  LEU 152          HD21      LEU 152 -11.013  -2.171   7.922
  380   2HD2  LEU 152          HD22      LEU 152 -10.295  -0.982   6.834
  381   3HD2  LEU 152          HD23      LEU 152 -11.189  -2.353   6.176
  382    HA   PRO 153           HA       PRO 153 -11.649  -8.207  10.140
  383   1HB   PRO 153          HB2       PRO 153 -13.822  -9.079   8.691
  384   2HB   PRO 153          HB3       PRO 153 -13.913  -8.031  10.108
  385   1HG   PRO 153          HG2       PRO 153 -14.016  -7.319   7.212
  386   2HG   PRO 153          HG3       PRO 153 -14.941  -6.651   8.568
  387   1HD   PRO 153          HD2       PRO 153 -12.842  -5.353   7.493
  388   2HD   PRO 153          HD3       PRO 153 -13.216  -5.265   9.228
  389    H    ASP 154           HN       ASP 154 -11.873  -8.044   6.579
  390    HA   ASP 154           HA       ASP 154  -9.961 -10.203   6.431
  391   1HB   ASP 154          HB2       ASP 154 -12.102 -11.412   6.594
  392   2HB   ASP 154          HB3       ASP 154 -12.704 -10.528   5.194
  393    H    VAL 155           HN       VAL 155  -8.871  -8.289   5.614
  394    HA   VAL 155           HA       VAL 155  -9.388  -7.917   2.749
  395    HB   VAL 155           HB       VAL 155  -7.511  -6.427   4.599
  396   1HG1  VAL 155          HG11      VAL 155  -8.113  -5.966   1.680
  397   2HG1  VAL 155          HG12      VAL 155  -7.161  -4.900   2.713
  398   3HG1  VAL 155          HG13      VAL 155  -6.581  -6.527   2.351
  399   1HG2  VAL 155          HG21      VAL 155  -9.859  -5.915   4.967
  400   2HG2  VAL 155          HG22      VAL 155  -9.028  -4.546   4.226
  401   3HG2  VAL 155          HG23      VAL 155 -10.065  -5.583   3.248
  402    H    ASN 156           HN       ASN 156  -8.009  -8.808   1.267
  403    HA   ASN 156           HA       ASN 156  -6.237 -10.814   2.456
  404   1HB   ASN 156          HB2       ASN 156  -8.190 -11.151   0.598
  405   2HB   ASN 156          HB3       ASN 156  -6.781 -10.953  -0.444
  406   1HD2  ASN 156          HD21      ASN 156  -6.646 -12.285   2.776
  407   2HD2  ASN 156          HD22      ASN 156  -6.227 -13.890   2.300
  408    H    ILE 157           HN       ILE 157  -4.259 -10.011   2.711
  409    HA   ILE 157           HA       ILE 157  -3.586  -7.735   1.177
  410    HB   ILE 157           HB       ILE 157  -1.853  -9.196   3.193
  411   1HG1  ILE 157          HG12      ILE 157  -3.959  -8.492   4.179
  412   2HG1  ILE 157          HG13      ILE 157  -2.615  -7.568   4.842
  413   1HG2  ILE 157          HG21      ILE 157  -0.734  -7.560   1.596
  414   2HG2  ILE 157          HG22      ILE 157  -1.556  -6.305   2.520
  415   3HG2  ILE 157          HG23      ILE 157  -0.419  -7.391   3.316
  416   1HD1  ILE 157          HD11      ILE 157  -3.185  -5.682   3.435
  417   2HD1  ILE 157          HD12      ILE 157  -4.505  -6.605   2.712
  418   3HD1  ILE 157          HD13      ILE 157  -4.565  -6.171   4.419
  419    H    LEU 158           HN       LEU 158  -2.421 -11.018   1.315
  420    HA   LEU 158           HA       LEU 158  -0.110 -10.793  -0.205
  421   1HB   LEU 158          HB2       LEU 158  -0.316 -13.178  -0.609
  422   2HB   LEU 158          HB3       LEU 158  -0.649 -12.784   1.065
  423    HG   LEU 158           HG       LEU 158  -2.928 -13.102  -0.852
  424   1HD1  LEU 158          HD11      LEU 158  -1.470 -15.341   0.541
  425   2HD1  LEU 158          HD12      LEU 158  -3.017 -15.486  -0.294
  426   3HD1  LEU 158          HD13      LEU 158  -1.558 -15.077  -1.200
  427   1HD2  LEU 158          HD21      LEU 158  -4.073 -13.856   1.176
  428   2HD2  LEU 158          HD22      LEU 158  -2.581 -13.652   2.094
  429   3HD2  LEU 158          HD23      LEU 158  -3.381 -12.248   1.385
  430    H    LEU 159           HN       LEU 159  -2.933  -9.691  -1.410
  431    HA   LEU 159           HA       LEU 159  -2.670 -10.983  -4.022
  432   1HB   LEU 159          HB2       LEU 159  -4.850  -9.369  -2.727
  433   2HB   LEU 159          HB3       LEU 159  -4.747  -9.451  -4.472
  434    HG   LEU 159           HG       LEU 159  -5.043 -11.868  -4.417
  435   1HD1  LEU 159          HD11      LEU 159  -5.175 -11.537  -1.426
  436   2HD1  LEU 159          HD12      LEU 159  -5.594 -13.008  -2.307
  437   3HD1  LEU 159          HD13      LEU 159  -3.938 -12.399  -2.342
  438   1HD2  LEU 159          HD21      LEU 159  -7.350 -11.946  -3.640
  439   2HD2  LEU 159          HD22      LEU 159  -7.110 -10.451  -2.737
  440   3HD2  LEU 159          HD23      LEU 159  -7.035 -10.438  -4.500
  441    H    PHE 160           HN       PHE 160  -2.070  -8.194  -2.159
  442    HA   PHE 160           HA       PHE 160  -1.786  -6.451  -4.466
  443   1HB   PHE 160          HB2       PHE 160  -1.632  -5.886  -1.499
  444   2HB   PHE 160          HB3       PHE 160  -1.395  -4.658  -2.734
  445    HD1  PHE 160           HD1      PHE 160  -3.843  -6.980  -1.247
  446    HD2  PHE 160           HD2      PHE 160  -3.242  -3.639  -3.818
  447    HE1  PHE 160           HE1      PHE 160  -6.272  -6.592  -1.312
  448    HE2  PHE 160           HE2      PHE 160  -5.668  -3.245  -3.883
  449    HZ   PHE 160           HZ       PHE 160  -7.180  -4.673  -2.560
  450    H    GLN 161           HN       GLN 161  -0.143  -8.471  -2.532
  451    HA   GLN 161           HA       GLN 161   2.275  -7.500  -1.811
  452   1HB   GLN 161          HB2       GLN 161   1.037  -9.878  -1.740
  453   2HB   GLN 161          HB3       GLN 161   2.312 -10.221  -2.905
  454   1HG   GLN 161          HG2       GLN 161   3.973  -9.843  -1.399
  455   2HG   GLN 161          HG3       GLN 161   2.980  -8.821  -0.378
  456   1HE2  GLN 161          HE21      GLN 161   1.832 -11.889  -1.542
  457   2HE2  GLN 161          HE22      GLN 161   1.869 -12.667  -0.001
  458    H    ASN 162           HN       ASN 162   1.345  -8.352  -5.101
  459    HA   ASN 162           HA       ASN 162   4.120  -7.941  -5.983
  460   1HB   ASN 162          HB2       ASN 162   1.711  -9.120  -7.369
  461   2HB   ASN 162          HB3       ASN 162   3.191  -8.711  -8.230
  462   1HD2  ASN 162          HD21      ASN 162   4.944  -9.447  -6.051
  463   2HD2  ASN 162          HD22      ASN 162   4.944 -11.172  -5.989
  464    H    ILE 163           HN       ILE 163   1.650  -6.103  -5.272
  465    HA   ILE 163           HA       ILE 163   1.824  -4.291  -7.579
  466    HB   ILE 163           HB       ILE 163  -0.040  -4.320  -5.185
  467   1HG1  ILE 163          HG12      ILE 163  -0.624  -4.874  -8.099
  468   2HG1  ILE 163          HG13      ILE 163  -0.510  -6.091  -6.830
  469   1HG2  ILE 163          HG21      ILE 163  -0.167  -2.485  -7.563
  470   2HG2  ILE 163          HG22      ILE 163  -1.231  -2.484  -6.160
  471   3HG2  ILE 163          HG23      ILE 163   0.465  -2.034  -5.980
  472   1HD1  ILE 163          HD11      ILE 163  -2.429  -5.084  -5.700
  473   2HD1  ILE 163          HD12      ILE 163  -2.540  -3.872  -6.976
  474   3HD1  ILE 163          HD13      ILE 163  -2.824  -5.573  -7.350
  475    H    ASP 164           HN       ASP 164   3.111  -2.589  -7.461
  476    HA   ASP 164           HA       ASP 164   3.907  -1.685  -4.783
  477   1HB   ASP 164          HB2       ASP 164   5.799  -0.593  -5.804
  478   2HB   ASP 164          HB3       ASP 164   5.744  -2.254  -6.382
  479    H    GLY 165           HN       GLY 165   4.543   0.920  -5.282
  480   1HA   GLY 165          HA1       GLY 165   2.052   2.065  -4.800
  481   2HA   GLY 165          HA2       GLY 165   3.520   2.957  -5.155
  482    H    LYS 166           HN       LYS 166   3.789   1.709  -7.828
  483    HA   LYS 166           HA       LYS 166   2.432   3.818  -9.169
  484   1HB   LYS 166          HB2       LYS 166   3.406   2.873 -11.205
  485   2HB   LYS 166          HB3       LYS 166   4.607   2.919  -9.933
  486   1HG   LYS 166          HG2       LYS 166   4.793   0.716  -9.790
  487   2HG   LYS 166          HG3       LYS 166   3.099   0.433 -10.162
  488   1HD   LYS 166          HD2       LYS 166   3.661   1.169 -12.532
  489   2HD   LYS 166          HD3       LYS 166   5.357   1.054 -12.050
  490   1HE   LYS 166          HE2       LYS 166   3.348  -1.174 -11.891
  491   2HE   LYS 166          HE3       LYS 166   4.523  -0.969 -13.185
  492   1HZ   LYS 166          HZ1       LYS 166   5.144  -1.429 -10.313
  493   2HZ   LYS 166          HZ2       LYS 166   6.296  -1.203 -11.538
  494   3HZ   LYS 166          HZ3       LYS 166   5.292  -2.571 -11.563
  495    H    GLU 167           HN       GLU 167   1.721   0.573  -8.425
  496    HA   GLU 167           HA       GLU 167  -0.442   0.549 -10.384
  497   1HB   GLU 167          HB2       GLU 167   1.156  -1.357 -10.308
  498   2HB   GLU 167          HB3       GLU 167   0.588  -1.733  -8.691
  499   1HG   GLU 167          HG2       GLU 167  -1.487  -2.428  -9.444
  500   2HG   GLU 167          HG3       GLU 167  -1.314  -1.585 -10.983
  501    H    LEU 168           HN       LEU 168   0.105   0.926  -6.967
  502    HA   LEU 168           HA       LEU 168  -2.699   0.528  -6.356
  503   1HB   LEU 168          HB2       LEU 168  -0.837  -0.087  -4.772
  504   2HB   LEU 168          HB3       LEU 168  -0.483   1.621  -4.609
  505    HG   LEU 168           HG       LEU 168  -2.776   1.950  -3.676
  506   1HD1  LEU 168          HD11      LEU 168  -2.831  -1.063  -3.723
  507   2HD1  LEU 168          HD12      LEU 168  -4.000  -0.025  -2.903
  508   3HD1  LEU 168          HD13      LEU 168  -3.864   0.014  -4.662
  509   1HD2  LEU 168          HD21      LEU 168  -1.077  -0.066  -2.210
  510   2HD2  LEU 168          HD22      LEU 168  -0.796   1.678  -2.241
  511   3HD2  LEU 168          HD23      LEU 168  -2.258   1.033  -1.494
  512    H    CYS 169           HN       CYS 169  -0.560   3.135  -7.060
  513    HA   CYS 169           HA       CYS 169  -2.203   5.375  -6.428
  514   1HB   CYS 169          HB2       CYS 169   0.040   5.787  -7.019
  515   2HB   CYS 169          HB3       CYS 169  -0.088   4.824  -8.492
  516    HG   CYS 169           HG       CYS 169  -0.271   6.980  -9.891
  517    H    LYS 170           HN       LYS 170  -2.388   2.915  -8.930
  518    HA   LYS 170           HA       LYS 170  -4.398   4.506 -10.392
  519   1HB   LYS 170          HB2       LYS 170  -3.888   3.114 -12.301
  520   2HB   LYS 170          HB3       LYS 170  -2.397   3.836 -11.716
  521   1HG   LYS 170          HG2       LYS 170  -1.595   1.832 -10.885
  522   2HG   LYS 170          HG3       LYS 170  -3.199   1.097 -10.842
  523   1HD   LYS 170          HD2       LYS 170  -2.361   1.944 -13.512
  524   2HD   LYS 170          HD3       LYS 170  -1.324   0.707 -12.800
  525   1HE   LYS 170          HE2       LYS 170  -3.159  -0.260 -14.124
  526   2HE   LYS 170          HE3       LYS 170  -3.231  -0.733 -12.428
  527   1HZ   LYS 170          HZ1       LYS 170  -5.412  -0.170 -13.224
  528   2HZ   LYS 170          HZ2       LYS 170  -4.889   1.353 -13.750
  529   3HZ   LYS 170          HZ3       LYS 170  -4.928   0.994 -12.094
  530    H    MET 171           HN       MET 171  -4.658   2.774  -7.879
  531    HA   MET 171           HA       MET 171  -6.471   0.750  -8.949
  532   1HB   MET 171          HB2       MET 171  -5.765   1.504  -6.119
  533   2HB   MET 171          HB3       MET 171  -6.934   0.259  -6.549
  534   1HG   MET 171          HG2       MET 171  -4.108   0.173  -7.525
  535   2HG   MET 171          HG3       MET 171  -4.569  -0.436  -5.942
  536   1HE   MET 171          HE1       MET 171  -6.879  -3.423  -6.726
  537   2HE   MET 171          HE2       MET 171  -5.920  -2.596  -5.498
  538   3HE   MET 171          HE3       MET 171  -7.302  -1.783  -6.235
  539    H    THR 172           HN       THR 172  -8.618   0.945  -9.077
  540    HA   THR 172           HA       THR 172  -9.811   3.398  -8.031
  541    HB   THR 172           HB       THR 172 -11.701   2.946  -9.470
  542    HG1  THR 172           HG1      THR 172 -10.376   0.768 -10.686
  543   1HG2  THR 172          HG21      THR 172  -9.871   4.193 -10.459
  544   2HG2  THR 172          HG22      THR 172 -10.603   3.146 -11.676
  545   3HG2  THR 172          HG23      THR 172  -9.074   2.690 -10.928
  546    H    LYS 173           HN       LYS 173 -12.138   3.073  -7.204
  547    HA   LYS 173           HA       LYS 173 -12.013   1.492  -4.914
  548   1HB   LYS 173          HB2       LYS 173 -13.542   3.442  -5.255
  549   2HB   LYS 173          HB3       LYS 173 -14.557   2.411  -6.257
  550   1HG   LYS 173          HG2       LYS 173 -15.007   0.956  -4.397
  551   2HG   LYS 173          HG3       LYS 173 -13.880   1.850  -3.379
  552   1HD   LYS 173          HD2       LYS 173 -16.466   2.871  -4.541
  553   2HD   LYS 173          HD3       LYS 173 -16.143   2.496  -2.849
  554   1HE   LYS 173          HE2       LYS 173 -14.309   4.246  -2.962
  555   2HE   LYS 173          HE3       LYS 173 -15.002   4.728  -4.511
  556   1HZ   LYS 173          HZ1       LYS 173 -16.281   6.061  -3.285
  557   2HZ   LYS 173          HZ2       LYS 173 -15.936   5.236  -1.842
  558   3HZ   LYS 173          HZ3       LYS 173 -17.155   4.662  -2.870
  559    H    ASP 174           HN       ASP 174 -13.185   0.688  -8.143
  560    HA   ASP 174           HA       ASP 174 -14.649  -1.587  -7.309
  561   1HB   ASP 174          HB2       ASP 174 -15.145  -0.385  -9.379
  562   2HB   ASP 174          HB3       ASP 174 -13.570  -0.829 -10.031
  563    H    ASP 175           HN       ASP 175 -11.321  -0.991  -8.011
  564    HA   ASP 175           HA       ASP 175 -10.677  -3.717  -8.714
  565   1HB   ASP 175          HB2       ASP 175  -9.480  -1.343  -9.273
  566   2HB   ASP 175          HB3       ASP 175  -8.494  -1.892  -7.921
  567    H    PHE 176           HN       PHE 176 -10.738  -1.777  -5.805
  568    HA   PHE 176           HA       PHE 176  -9.386  -3.871  -4.329
  569   1HB   PHE 176          HB2       PHE 176 -11.037  -1.524  -3.336
  570   2HB   PHE 176          HB3       PHE 176 -10.231  -2.666  -2.277
  571    HD1  PHE 176           HD1      PHE 176  -9.652  -0.070  -4.833
  572    HD2  PHE 176           HD2      PHE 176  -7.996  -2.394  -1.680
  573    HE1  PHE 176           HE1      PHE 176  -7.655   1.355  -4.836
  574    HE2  PHE 176           HE2      PHE 176  -5.987  -0.973  -1.682
  575    HZ   PHE 176           HZ       PHE 176  -5.819   0.909  -3.259
  576    H    GLN 177           HN       GLN 177 -12.534  -3.284  -5.488
  577    HA   GLN 177           HA       GLN 177 -13.837  -4.919  -3.489
  578   1HB   GLN 177          HB2       GLN 177 -14.878  -3.710  -6.051
  579   2HB   GLN 177          HB3       GLN 177 -15.856  -4.556  -4.859
  580   1HG   GLN 177          HG2       GLN 177 -15.139  -2.859  -3.182
  581   2HG   GLN 177          HG3       GLN 177 -14.358  -1.986  -4.496
  582   1HE2  GLN 177          HE21      GLN 177 -17.354  -2.853  -3.024
  583   2HE2  GLN 177          HE22      GLN 177 -18.361  -1.792  -3.946
  584    H    ARG 178           HN       ARG 178 -11.907  -5.594  -6.095
  585    HA   ARG 178           HA       ARG 178 -13.281  -8.139  -6.643
  586   1HB   ARG 178          HB2       ARG 178 -11.717  -8.423  -8.517
  587   2HB   ARG 178          HB3       ARG 178 -12.623  -6.924  -8.665
  588   1HG   ARG 178          HG2       ARG 178 -10.791  -5.615  -8.262
  589   2HG   ARG 178          HG3       ARG 178  -9.959  -6.867  -7.343
  590   1HD   ARG 178          HD2       ARG 178  -8.876  -6.462  -9.496
  591   2HD   ARG 178          HD3       ARG 178  -9.516  -8.100  -9.392
  592    HE   ARG 178           HE       ARG 178 -11.472  -7.142 -10.710
  593   1HH1  ARG 178          HH12      ARG 178  -8.204  -5.911 -10.963
  594   2HH1  ARG 178          HH11      ARG 178  -8.374  -5.418 -12.623
  595   1HH2  ARG 178          HH22      ARG 178 -11.713  -6.493 -12.881
  596   2HH2  ARG 178          HH21      ARG 178 -10.386  -5.748 -13.710
  597    H    LEU 179           HN       LEU 179 -10.995  -6.820  -4.687
  598    HA   LEU 179           HA       LEU 179  -9.672  -9.432  -4.329
  599   1HB   LEU 179          HB2       LEU 179  -8.561  -6.719  -3.590
  600   2HB   LEU 179          HB3       LEU 179  -7.728  -8.256  -3.476
  601    HG   LEU 179           HG       LEU 179  -8.568  -6.879  -6.030
  602   1HD1  LEU 179          HD11      LEU 179  -6.174  -6.640  -6.416
  603   2HD1  LEU 179          HD12      LEU 179  -6.676  -5.812  -4.941
  604   3HD1  LEU 179          HD13      LEU 179  -5.845  -7.364  -4.842
  605   1HD2  LEU 179          HD21      LEU 179  -8.699  -9.317  -6.232
  606   2HD2  LEU 179          HD22      LEU 179  -7.371  -8.656  -7.186
  607   3HD2  LEU 179          HD23      LEU 179  -7.042  -9.453  -5.646
  608    H    THR 180           HN       THR 180 -11.522  -6.921  -3.019
  609    HA   THR 180           HA       THR 180 -12.178  -8.335  -0.626
  610    HB   THR 180           HB       THR 180 -10.586  -5.758  -0.441
  611    HG1  THR 180           HG1      THR 180  -9.807  -8.246  -0.380
  612   1HG2  THR 180          HG21      THR 180 -12.053  -7.237   1.743
  613   2HG2  THR 180          HG22      THR 180 -12.443  -5.634   1.111
  614   3HG2  THR 180          HG23      THR 180 -10.935  -5.894   1.988
  615    HA   PRO 181           HA       PRO 181 -15.285  -5.799  -2.775
  616   1HB   PRO 181          HB2       PRO 181 -17.237  -7.816  -2.073
  617   2HB   PRO 181          HB3       PRO 181 -16.567  -7.423  -3.656
  618   1HG   PRO 181          HG2       PRO 181 -16.047  -9.756  -2.330
  619   2HG   PRO 181          HG3       PRO 181 -14.940  -9.024  -3.506
  620   1HD   PRO 181          HD2       PRO 181 -14.857  -8.938  -0.512
  621   2HD   PRO 181          HD3       PRO 181 -13.525  -9.134  -1.673
  622    H    SER 182           HN       SER 182 -17.515  -5.068  -2.347
  623    HA   SER 182           HA       SER 182 -19.086  -3.997  -1.153
  624   1HB   SER 182          HB2       SER 182 -19.439  -6.176  -0.052
  625   2HB   SER 182          HB3       SER 182 -18.227  -5.753   1.156
  626    HG   SER 182           HG       SER 182 -20.472  -4.094   0.688
  627    H    TYR 183           HN       TYR 183 -16.821  -4.465   1.534
  628    HA   TYR 183           HA       TYR 183 -16.549  -1.536   1.695
  629   1HB   TYR 183          HB2       TYR 183 -16.400  -1.879   4.194
  630   2HB   TYR 183          HB3       TYR 183 -17.986  -2.195   3.497
  631    HD1  TYR 183           HD1      TYR 183 -15.166  -3.605   5.281
  632    HD2  TYR 183           HD2      TYR 183 -18.759  -4.553   3.215
  633    HE1  TYR 183           HE1      TYR 183 -15.165  -5.832   6.316
  634    HE2  TYR 183           HE2      TYR 183 -18.770  -6.782   4.248
  635    HH   TYR 183           HH       TYR 183 -16.747  -7.596   6.875
  636    H    ASN 184           HN       ASN 184 -14.533  -0.930   3.090
  637    HA   ASN 184           HA       ASN 184 -12.453  -1.270   3.928
  638   1HB   ASN 184          HB2       ASN 184 -12.575  -3.890   2.483
  639   2HB   ASN 184          HB3       ASN 184 -11.102  -3.296   3.246
  640   1HD2  ASN 184          HD21      ASN 184 -12.267  -5.690   3.939
  641   2HD2  ASN 184          HD22      ASN 184 -12.927  -5.586   5.523
  642    H    ALA 185           HN       ALA 185 -13.327  -1.997   0.631
  643    HA   ALA 185           HA       ALA 185 -11.061  -1.041  -0.736
  644   1HB   ALA 185          HB1       ALA 185 -12.614  -0.610  -2.575
  645   2HB   ALA 185          HB2       ALA 185 -12.897  -2.193  -1.845
  646   3HB   ALA 185          HB3       ALA 185 -13.977  -0.846  -1.479
  647    H    ASP 186           HN       ASP 186 -14.094   0.619   0.076
  648    HA   ASP 186           HA       ASP 186 -13.258   3.252  -0.520
  649   1HB   ASP 186          HB2       ASP 186 -15.622   2.487  -0.413
  650   2HB   ASP 186          HB3       ASP 186 -15.467   2.327   1.328
  651    H    ILE 187           HN       ILE 187 -12.187   1.357   1.976
  652    HA   ILE 187           HA       ILE 187 -11.896   3.613   3.818
  653    HB   ILE 187           HB       ILE 187 -11.105   0.704   4.169
  654   1HG1  ILE 187          HG12      ILE 187 -13.334   2.308   5.441
  655   2HG1  ILE 187          HG13      ILE 187 -13.552   1.149   4.136
  656   1HG2  ILE 187          HG21      ILE 187 -10.706   1.319   6.519
  657   2HG2  ILE 187          HG22      ILE 187  -9.624   2.171   5.418
  658   3HG2  ILE 187          HG23      ILE 187 -11.009   3.009   6.117
  659   1HD1  ILE 187          HD11      ILE 187 -12.762  -0.635   5.602
  660   2HD1  ILE 187          HD12      ILE 187 -12.560   0.532   6.908
  661   3HD1  ILE 187          HD13      ILE 187 -14.170   0.192   6.271
  662    H    LEU 188           HN       LEU 188  -9.902   1.041   2.439
  663    HA   LEU 188           HA       LEU 188  -7.373   2.069   2.850
  664   1HB   LEU 188          HB2       LEU 188  -8.330   0.498   0.472
  665   2HB   LEU 188          HB3       LEU 188  -6.667   0.692   0.994
  666    HG   LEU 188           HG       LEU 188  -8.828  -0.689   2.591
  667   1HD1  LEU 188          HD11      LEU 188  -7.644  -2.750   2.053
  668   2HD1  LEU 188          HD12      LEU 188  -8.224  -1.953   0.591
  669   3HD1  LEU 188          HD13      LEU 188  -6.519  -1.850   1.034
  670   1HD2  LEU 188          HD21      LEU 188  -6.996  -1.405   4.028
  671   2HD2  LEU 188          HD22      LEU 188  -5.860  -0.463   3.061
  672   3HD2  LEU 188          HD23      LEU 188  -7.122   0.354   3.983
  673    H    LEU 189           HN       LEU 189  -9.568   2.575   0.089
  674    HA   LEU 189           HA       LEU 189  -7.623   3.958  -1.488
  675   1HB   LEU 189          HB2       LEU 189  -9.676   2.695  -2.281
  676   2HB   LEU 189          HB3       LEU 189 -10.593   4.120  -1.827
  677    HG   LEU 189           HG       LEU 189  -9.299   5.484  -3.388
  678   1HD1  LEU 189          HD11      LEU 189  -7.737   4.362  -4.962
  679   2HD1  LEU 189          HD12      LEU 189  -7.169   4.362  -3.289
  680   3HD1  LEU 189          HD13      LEU 189  -7.866   2.897  -3.985
  681   1HD2  LEU 189          HD21      LEU 189 -11.320   4.420  -4.211
  682   2HD2  LEU 189          HD22      LEU 189 -10.101   4.479  -5.482
  683   3HD2  LEU 189          HD23      LEU 189 -10.410   2.967  -4.628
  684    H    SER 190           HN       SER 190 -10.458   5.065   0.410
  685    HA   SER 190           HA       SER 190 -10.247   7.752   0.136
  686   1HB   SER 190          HB2       SER 190 -11.887   6.458   1.577
  687   2HB   SER 190          HB3       SER 190 -10.644   6.424   2.825
  688    HG   SER 190           HG       SER 190 -10.681   8.705   2.842
  689    H    HIS 191           HN       HIS 191  -8.099   5.641   1.930
  690    HA   HIS 191           HA       HIS 191  -6.630   7.870   3.063
  691   1HB   HIS 191          HB2       HIS 191  -6.264   4.882   3.191
  692   2HB   HIS 191          HB3       HIS 191  -5.151   6.017   3.935
  693    HD2  HIS 191           HD2      HIS 191  -6.851   7.944   5.627
  694    HE1  HIS 191           HE1      HIS 191  -9.177   4.621   6.835
  695    HE2  HIS 191           HE2      HIS 191  -8.728   7.090   7.201
  696    H    LEU 192           HN       LEU 192  -6.297   5.512   0.497
  697    HA   LEU 192           HA       LEU 192  -3.637   5.974  -0.126
  698   1HB   LEU 192          HB2       LEU 192  -5.074   4.070  -0.859
  699   2HB   LEU 192          HB3       LEU 192  -5.871   5.142  -1.977
  700    HG   LEU 192           HG       LEU 192  -4.151   3.541  -2.884
  701   1HD1  LEU 192          HD11      LEU 192  -3.835   6.451  -3.479
  702   2HD1  LEU 192          HD12      LEU 192  -3.298   5.124  -4.509
  703   3HD1  LEU 192          HD13      LEU 192  -5.019   5.356  -4.198
  704   1HD2  LEU 192          HD21      LEU 192  -2.425   3.896  -1.206
  705   2HD2  LEU 192          HD22      LEU 192  -1.854   4.181  -2.855
  706   3HD2  LEU 192          HD23      LEU 192  -2.223   5.548  -1.800
  707    H    HIS 193           HN       HIS 193  -6.613   7.473  -1.087
  708    HA   HIS 193           HA       HIS 193  -5.543   9.186  -3.110
  709   1HB   HIS 193          HB2       HIS 193  -8.163   9.134  -1.630
  710   2HB   HIS 193          HB3       HIS 193  -7.773  10.425  -2.760
  711    HD2  HIS 193           HD2      HIS 193  -6.310   7.486  -4.397
  712    HE1  HIS 193           HE1      HIS 193 -10.376   7.471  -5.569
  713    HE2  HIS 193           HE2      HIS 193  -8.107   6.395  -5.914
  714    H    TYR 194           HN       TYR 194  -6.580   9.801   0.265
  715    HA   TYR 194           HA       TYR 194  -5.984  12.519   0.296
  716   1HB   TYR 194          HB2       TYR 194  -7.281  11.650   2.105
  717   2HB   TYR 194          HB3       TYR 194  -6.027  10.488   2.531
  718    HD1  TYR 194           HD1      TYR 194  -6.764  14.128   2.411
  719    HD2  TYR 194           HD2      TYR 194  -4.367  11.042   4.098
  720    HE1  TYR 194           HE1      TYR 194  -5.865  15.730   4.044
  721    HE2  TYR 194           HE2      TYR 194  -3.460  12.637   5.735
  722    HH   TYR 194           HH       TYR 194  -4.850  15.654   6.313
  723    H    LEU 195           HN       LEU 195  -3.959   9.722   1.014
  724    HA   LEU 195           HA       LEU 195  -1.703  11.002   1.942
  725   1HB   LEU 195          HB2       LEU 195  -2.193   8.482   0.452
  726   2HB   LEU 195          HB3       LEU 195  -0.559   8.987   0.801
  727    HG   LEU 195           HG       LEU 195  -2.731   8.419   2.808
  728   1HD1  LEU 195          HD11      LEU 195  -0.161   7.003   2.139
  729   2HD1  LEU 195          HD12      LEU 195  -1.220   6.599   3.492
  730   3HD1  LEU 195          HD13      LEU 195  -1.795   6.420   1.834
  731   1HD2  LEU 195          HD21      LEU 195   0.122   9.308   3.259
  732   2HD2  LEU 195          HD22      LEU 195  -1.325  10.270   3.560
  733   3HD2  LEU 195          HD23      LEU 195  -1.019   8.817   4.511
  734    H    ARG 196           HN       ARG 196  -2.737  10.397  -1.370
  735    HA   ARG 196           HA       ARG 196  -0.320  11.619  -2.487
  736   1HB   ARG 196          HB2       ARG 196  -1.270   9.530  -3.415
  737   2HB   ARG 196          HB3       ARG 196  -2.711  10.426  -3.894
  738   1HG   ARG 196          HG2       ARG 196  -1.429  11.769  -5.401
  739   2HG   ARG 196          HG3       ARG 196   0.080  11.072  -4.807
  740   1HD   ARG 196          HD2       ARG 196  -0.666   8.865  -5.629
  741   2HD   ARG 196          HD3       ARG 196  -2.102   9.634  -6.307
  742    HE   ARG 196           HE       ARG 196   0.668   9.968  -7.228
  743   1HH1  ARG 196          HH12      ARG 196  -2.749  10.611  -7.633
  744   2HH1  ARG 196          HH11      ARG 196  -2.595  11.159  -9.274
  745   1HH2  ARG 196          HH22      ARG 196   0.886  10.690  -9.402
  746   2HH2  ARG 196          HH21      ARG 196  -0.521  11.244 -10.261
  747    H    GLU 197           HN       GLU 197  -3.263  12.750  -1.367
  748    HA   GLU 197           HA       GLU 197  -3.488  14.966  -3.155
  749   1HB   GLU 197          HB2       GLU 197  -4.402  14.577  -0.298
  750   2HB   GLU 197          HB3       GLU 197  -4.728  16.036  -1.226
  751   1HG   GLU 197          HG2       GLU 197  -5.906  14.664  -2.904
  752   2HG   GLU 197          HG3       GLU 197  -5.648  13.250  -1.883
  753    H    THR 198           HN       THR 198  -1.342  14.032  -0.716
  754    HA   THR 198           HA       THR 198   0.084  16.587  -0.985
  755    HB   THR 198           HB       THR 198   1.107  16.015   1.275
  756    HG1  THR 198           HG1      THR 198   0.085  13.763   1.050
  757   1HG2  THR 198          HG21      THR 198  -1.861  16.579   1.191
  758   2HG2  THR 198          HG22      THR 198  -0.573  17.772   1.041
  759   3HG2  THR 198          HG23      THR 198  -0.793  16.901   2.558
  760    HA   PRO 199           HA       PRO 199   2.619  13.133  -2.807
  761   1HB   PRO 199          HB2       PRO 199   3.646  15.319  -4.485
  762   2HB   PRO 199          HB3       PRO 199   2.908  13.791  -4.970
  763   1HG   PRO 199          HG2       PRO 199   1.646  16.145  -5.285
  764   2HG   PRO 199          HG3       PRO 199   0.772  14.650  -4.909
  765   1HD   PRO 199          HD2       PRO 199   1.543  16.904  -3.098
  766   2HD   PRO 199          HD3       PRO 199   0.029  15.976  -3.159
  767    H    LEU 200           HN       LEU 200   4.911  12.814  -2.776
  768    HA   LEU 200           HA       LEU 200   6.190  14.261  -0.689
  769   1HB   LEU 200          HB2       LEU 200   8.016  12.775  -0.859
  770   2HB   LEU 200          HB3       LEU 200   6.581  11.824  -1.125
  771    HG   LEU 200           HG       LEU 200   8.137  10.935  -2.591
  772   1HD1  LEU 200          HD11      LEU 200   7.436  11.476  -4.859
  773   2HD1  LEU 200          HD12      LEU 200   6.071  11.299  -3.758
  774   3HD1  LEU 200          HD13      LEU 200   6.601  12.907  -4.252
  775   1HD2  LEU 200          HD21      LEU 200   9.588  12.229  -4.079
  776   2HD2  LEU 200          HD22      LEU 200   8.955  13.721  -3.381
  777   3HD2  LEU 200          HD23      LEU 200   9.868  12.597  -2.377
  778    HA   PRO 201           HA       PRO 201   7.556  17.512  -3.285
  779   1HB   PRO 201          HB2       PRO 201   8.758  18.786  -1.021
  780   2HB   PRO 201          HB3       PRO 201   7.190  19.125  -1.749
  781   1HG   PRO 201          HG2       PRO 201   7.553  18.053   0.767
  782   2HG   PRO 201          HG3       PRO 201   6.072  17.899  -0.195
  783   1HD   PRO 201          HD2       PRO 201   8.300  15.941   0.187
  784   2HD   PRO 201          HD3       PRO 201   6.547  15.657   0.088
  Start of MODEL   11
    1   1H    GLY 105           H1       GLY 105   2.987  -9.136 -20.602
    2   2H    GLY 105           H2       GLY 105   2.865 -10.742 -21.125
    3   3H    GLY 105           H3       GLY 105   4.371 -10.117 -20.661
    4   1HA   GLY 105          HA2       GLY 105   2.029 -10.583 -18.904
    5   2HA   GLY 105          HA1       GLY 105   3.517 -11.520 -18.924
    6    H    SER 106           HN       SER 106   4.065 -11.104 -16.809
    7    HA   SER 106           HA       SER 106   5.440  -8.649 -16.320
    8   1HB   SER 106          HB2       SER 106   3.095  -7.918 -15.887
    9   2HB   SER 106          HB3       SER 106   2.948  -9.184 -14.670
   10    HG   SER 106           HG       SER 106   4.312  -8.121 -13.352
   11    H    HIS 107           HN       HIS 107   7.168  -9.258 -15.205
   12    HA   HIS 107           HA       HIS 107   6.824 -11.306 -13.127
   13   1HB   HIS 107          HB2       HIS 107   9.166 -12.088 -13.652
   14   2HB   HIS 107          HB3       HIS 107   7.949 -12.471 -14.861
   15    HD2  HIS 107           HD2      HIS 107   8.215 -11.149 -17.300
   16    HE1  HIS 107           HE1      HIS 107  12.069  -9.640 -16.432
   17    HE2  HIS 107           HE2      HIS 107  10.429 -10.215 -18.278
   18    H    MET 108           HN       MET 108   6.643  -8.578 -12.694
   19    HA   MET 108           HA       MET 108   9.153  -7.711 -11.500
   20   1HB   MET 108          HB2       MET 108   7.551  -6.118 -12.627
   21   2HB   MET 108          HB3       MET 108   6.418  -6.424 -11.319
   22   1HG   MET 108          HG2       MET 108   8.229  -5.624  -9.742
   23   2HG   MET 108          HG3       MET 108   9.091  -5.065 -11.175
   24   1HE   MET 108          HE1       MET 108   5.962  -4.656  -8.887
   25   2HE   MET 108          HE2       MET 108   4.990  -3.483  -9.778
   26   3HE   MET 108          HE3       MET 108   5.215  -5.111 -10.419
   27    H    GLU 109           HN       GLU 109   8.882  -9.891 -10.295
   28    HA   GLU 109           HA       GLU 109   6.863  -9.995  -8.263
   29   1HB   GLU 109          HB2       GLU 109   7.981 -12.157  -7.654
   30   2HB   GLU 109          HB3       GLU 109   7.408 -12.050  -9.311
   31   1HG   GLU 109          HG2       GLU 109   9.664 -11.635 -10.095
   32   2HG   GLU 109          HG3       GLU 109  10.261 -11.649  -8.435
   33    H    GLU 110           HN       GLU 110   7.529  -7.993  -7.220
   34    HA   GLU 110           HA       GLU 110   8.312  -6.910  -5.378
   35   1HB   GLU 110          HB2       GLU 110   8.812  -9.729  -4.402
   36   2HB   GLU 110          HB3       GLU 110   8.735  -8.293  -3.391
   37   1HG   GLU 110          HG2       GLU 110   6.409  -7.983  -3.925
   38   2HG   GLU 110          HG3       GLU 110   6.459  -9.321  -5.072
   39    H    LYS 111           HN       LYS 111  10.163  -6.924  -7.372
   40    HA   LYS 111           HA       LYS 111  12.693  -7.793  -6.185
   41   1HB   LYS 111          HB2       LYS 111  12.081  -8.447  -8.537
   42   2HB   LYS 111          HB3       LYS 111  12.212  -6.751  -8.978
   43   1HG   LYS 111          HG2       LYS 111  14.559  -6.745  -8.377
   44   2HG   LYS 111          HG3       LYS 111  14.443  -8.422  -7.839
   45   1HD   LYS 111          HD2       LYS 111  13.793  -9.071 -10.134
   46   2HD   LYS 111          HD3       LYS 111  14.028  -7.400 -10.648
   47   1HE   LYS 111          HE2       LYS 111  16.143  -9.183  -9.447
   48   2HE   LYS 111          HE3       LYS 111  15.964  -8.827 -11.164
   49   1HZ   LYS 111          HZ1       LYS 111  16.307  -6.457 -10.611
   50   2HZ   LYS 111          HZ2       LYS 111  17.647  -7.430 -10.263
   51   3HZ   LYS 111          HZ3       LYS 111  16.638  -6.900  -9.006
   52    H    HIS 112           HN       HIS 112  11.117  -4.913  -7.512
   53    HA   HIS 112           HA       HIS 112  13.409  -3.251  -7.002
   54   1HB   HIS 112          HB2       HIS 112  10.605  -2.562  -7.901
   55   2HB   HIS 112          HB3       HIS 112  11.931  -1.408  -7.789
   56    HD2  HIS 112           HD2      HIS 112  13.808  -1.524  -9.805
   57    HE1  HIS 112           HE1      HIS 112  11.811  -4.516 -12.033
   58    HE2  HIS 112           HE2      HIS 112  13.555  -2.675 -12.121
   59    H    MET 113           HN       MET 113  13.318  -4.040  -4.702
   60    HA   MET 113           HA       MET 113  11.491  -2.495  -3.020
   61   1HB   MET 113          HB2       MET 113  13.471  -4.676  -2.352
   62   2HB   MET 113          HB3       MET 113  12.550  -3.797  -1.142
   63   1HG   MET 113          HG2       MET 113  10.473  -4.635  -2.093
   64   2HG   MET 113          HG3       MET 113  11.382  -5.488  -3.342
   65   1HE   MET 113          HE1       MET 113   9.988  -8.298  -0.909
   66   2HE   MET 113          HE2       MET 113   9.206  -6.752  -1.240
   67   3HE   MET 113          HE3       MET 113   9.949  -7.666  -2.555
   68    HA   PRO 114           HA       PRO 114  16.020  -1.276  -1.365
   69   1HB   PRO 114          HB2       PRO 114  17.345  -1.410  -4.033
   70   2HB   PRO 114          HB3       PRO 114  18.015  -1.692  -2.421
   71   1HG   PRO 114          HG2       PRO 114  17.432  -3.741  -3.988
   72   2HG   PRO 114          HG3       PRO 114  17.065  -3.804  -2.253
   73   1HD   PRO 114          HD2       PRO 114  15.227  -3.362  -4.566
   74   2HD   PRO 114          HD3       PRO 114  14.953  -4.264  -3.064
   75    HA   PRO 115           HA       PRO 115  16.202   2.280  -4.989
   76   1HB   PRO 115          HB2       PRO 115  13.427   2.351  -5.722
   77   2HB   PRO 115          HB3       PRO 115  14.828   2.099  -6.765
   78   1HG   PRO 115          HG2       PRO 115  13.013   0.117  -5.528
   79   2HG   PRO 115          HG3       PRO 115  13.978  -0.011  -7.008
   80   1HD   PRO 115          HD2       PRO 115  14.655  -1.352  -4.803
   81   2HD   PRO 115          HD3       PRO 115  15.900  -0.620  -5.842
   82    HA   PRO 116           HA       PRO 116  14.494   4.303  -1.340
   83   1HB   PRO 116          HB2       PRO 116  16.520   6.326  -1.764
   84   2HB   PRO 116          HB3       PRO 116  16.416   5.123  -0.477
   85   1HG   PRO 116          HG2       PRO 116  18.335   5.092  -2.416
   86   2HG   PRO 116          HG3       PRO 116  17.758   3.638  -1.581
   87   1HD   PRO 116          HD2       PRO 116  17.000   4.696  -4.282
   88   2HD   PRO 116          HD3       PRO 116  17.327   3.021  -3.780
   89    H    ASN 117           HN       ASN 117  12.815   4.671  -3.231
   90    HA   ASN 117           HA       ASN 117  12.738   7.379  -4.246
   91   1HB   ASN 117          HB2       ASN 117  10.671   5.167  -4.173
   92   2HB   ASN 117          HB3       ASN 117  10.421   6.717  -4.960
   93   1HD2  ASN 117          HD21      ASN 117  10.376   4.059  -6.092
   94   2HD2  ASN 117          HD22      ASN 117  11.577   4.035  -7.334
   95    H    MET 118           HN       MET 118  13.141   7.812  -1.695
   96    HA   MET 118           HA       MET 118  10.543   8.292  -0.436
   97   1HB   MET 118          HB2       MET 118  12.767   6.665   0.805
   98   2HB   MET 118          HB3       MET 118  11.293   7.158   1.626
   99   1HG   MET 118          HG2       MET 118   9.980   5.679   0.453
  100   2HG   MET 118          HG3       MET 118  11.099   5.603  -0.904
  101   1HE   MET 118          HE1       MET 118  12.071   3.598   3.138
  102   2HE   MET 118          HE2       MET 118  12.151   5.333   2.842
  103   3HE   MET 118          HE3       MET 118  10.588   4.520   2.887
  104    H    THR 119           HN       THR 119  10.978  10.535  -0.572
  105    HA   THR 119           HA       THR 119  13.031  11.457   1.313
  106    HB   THR 119           HB       THR 119  12.339  13.777   0.403
  107    HG1  THR 119           HG1      THR 119  11.475  13.692  -1.722
  108   1HG2  THR 119          HG21      THR 119  14.493  12.737  -0.065
  109   2HG2  THR 119          HG22      THR 119  13.875  13.551  -1.503
  110   3HG2  THR 119          HG23      THR 119  13.770  11.795  -1.370
  111    H    THR 120           HN       THR 120   9.547  11.562   0.637
  112    HA   THR 120           HA       THR 120   9.078  12.681   3.290
  113    HB   THR 120           HB       THR 120   6.597  11.940   2.374
  114    HG1  THR 120           HG1      THR 120   6.886  13.044   0.126
  115   1HG2  THR 120          HG21      THR 120   8.022  14.559   1.869
  116   2HG2  THR 120          HG22      THR 120   7.205  14.101   3.364
  117   3HG2  THR 120          HG23      THR 120   6.274  14.317   1.880
  118    H    ASN 121           HN       ASN 121   8.495  11.545   4.993
  119    HA   ASN 121           HA       ASN 121   7.049   9.217   5.172
  120   1HB   ASN 121          HB2       ASN 121   8.758   7.497   5.687
  121   2HB   ASN 121          HB3       ASN 121   8.894   8.047   4.017
  122   1HD2  ASN 121          HD21      ASN 121  10.686   9.258   3.410
  123   2HD2  ASN 121          HD22      ASN 121  12.115   9.371   4.386
  124    H    GLU 122           HN       GLU 122   8.657   8.116   7.430
  125    HA   GLU 122           HA       GLU 122   9.135   8.485   9.625
  126   1HB   GLU 122          HB2       GLU 122  10.031  10.822   8.458
  127   2HB   GLU 122          HB3       GLU 122   8.891  11.410   9.655
  128   1HG   GLU 122          HG2       GLU 122  11.194   9.564  10.244
  129   2HG   GLU 122          HG3       GLU 122  11.217  11.311  10.465
  130    H    ARG 123           HN       ARG 123   8.074   9.151  11.611
  131    HA   ARG 123           HA       ARG 123   6.267   9.379  12.952
  132   1HB   ARG 123          HB2       ARG 123   5.855  11.553  11.880
  133   2HB   ARG 123          HB3       ARG 123   4.955  10.757  10.596
  134   1HG   ARG 123          HG2       ARG 123   3.452  11.748  12.217
  135   2HG   ARG 123          HG3       ARG 123   3.307   9.987  12.230
  136   1HD   ARG 123          HD2       ARG 123   5.131  10.173  14.103
  137   2HD   ARG 123          HD3       ARG 123   4.503  11.813  14.261
  138    HE   ARG 123           HE       ARG 123   2.364   9.974  14.255
  139   1HH1  ARG 123          HH12      ARG 123   5.027  11.067  16.255
  140   2HH1  ARG 123          HH11      ARG 123   4.256  10.622  17.745
  141   1HH2  ARG 123          HH22      ARG 123   1.340   9.384  16.216
  142   2HH2  ARG 123          HH21      ARG 123   2.150   9.681  17.723
  143    H    ARG 124           HN       ARG 124   4.716   8.912   9.796
  144    HA   ARG 124           HA       ARG 124   3.395   6.512  10.797
  145   1HB   ARG 124          HB2       ARG 124   2.641   6.715   8.163
  146   2HB   ARG 124          HB3       ARG 124   1.751   7.381   9.521
  147   1HG   ARG 124          HG2       ARG 124   1.923   9.051   7.832
  148   2HG   ARG 124          HG3       ARG 124   2.938   9.533   9.186
  149   1HD   ARG 124          HD2       ARG 124   4.128   9.998   7.168
  150   2HD   ARG 124          HD3       ARG 124   4.902   8.622   7.946
  151    HE   ARG 124           HE       ARG 124   4.243   7.273   6.192
  152   1HH1  ARG 124          HH12      ARG 124   2.749  10.429   5.931
  153   2HH1  ARG 124          HH11      ARG 124   2.291  10.219   4.262
  154   1HH2  ARG 124          HH22      ARG 124   3.663   7.009   3.981
  155   2HH2  ARG 124          HH21      ARG 124   2.814   8.277   3.162
  156    H    VAL 125           HN       VAL 125   3.235   5.041   8.417
  157    HA   VAL 125           HA       VAL 125   5.531   3.536   8.351
  158    HB   VAL 125           HB       VAL 125   4.748   3.204   5.774
  159   1HG1  VAL 125          HG11      VAL 125   3.409   2.067   8.233
  160   2HG1  VAL 125          HG12      VAL 125   3.363   1.359   6.619
  161   3HG1  VAL 125          HG13      VAL 125   4.893   1.473   7.487
  162   1HG2  VAL 125          HG21      VAL 125   2.223   3.992   7.225
  163   2HG2  VAL 125          HG22      VAL 125   3.019   4.980   5.991
  164   3HG2  VAL 125          HG23      VAL 125   2.373   3.392   5.573
  165    H    ILE 126           HN       ILE 126   7.489   3.718   7.542
  166    HA   ILE 126           HA       ILE 126   8.454   6.116   6.422
  167    HB   ILE 126           HB       ILE 126   9.794   3.406   6.339
  168   1HG1  ILE 126          HG12      ILE 126   9.093   3.922   8.631
  169   2HG1  ILE 126          HG13      ILE 126  10.842   4.033   8.479
  170   1HG2  ILE 126          HG21      ILE 126  10.937   6.196   6.295
  171   2HG2  ILE 126          HG22      ILE 126  11.875   4.703   6.343
  172   3HG2  ILE 126          HG23      ILE 126  10.872   5.071   4.939
  173   1HD1  ILE 126          HD11      ILE 126  10.683   6.463   8.369
  174   2HD1  ILE 126          HD12      ILE 126   8.928   6.355   8.502
  175   3HD1  ILE 126          HD13      ILE 126   9.945   5.833   9.843
  176    H    VAL 127           HN       VAL 127   6.904   6.328   4.693
  177    HA   VAL 127           HA       VAL 127   7.825   5.193   2.174
  178    HB   VAL 127           HB       VAL 127   5.460   4.672   1.506
  179   1HG1  VAL 127          HG11      VAL 127   6.463   3.082   3.860
  180   2HG1  VAL 127          HG12      VAL 127   5.316   2.528   2.640
  181   3HG1  VAL 127          HG13      VAL 127   6.985   2.884   2.187
  182   1HG2  VAL 127          HG21      VAL 127   3.785   4.347   3.255
  183   2HG2  VAL 127          HG22      VAL 127   4.912   4.977   4.456
  184   3HG2  VAL 127          HG23      VAL 127   4.312   6.028   3.174
  185    HA   PRO 128           HA       PRO 128   7.237   9.356   0.741
  186   1HB   PRO 128          HB2       PRO 128   5.917   8.617  -1.675
  187   2HB   PRO 128          HB3       PRO 128   7.594   9.109  -1.460
  188   1HG   PRO 128          HG2       PRO 128   6.450   6.437  -1.780
  189   2HG   PRO 128          HG3       PRO 128   8.116   6.978  -2.013
  190   1HD   PRO 128          HD2       PRO 128   7.327   5.410   0.082
  191   2HD   PRO 128          HD3       PRO 128   8.707   6.516   0.155
  192    H    ALA 129           HN       ALA 129   5.774  10.801   1.042
  193    HA   ALA 129           HA       ALA 129   3.143  10.567   1.699
  194   1HB   ALA 129          HB1       ALA 129   2.867  12.894   1.002
  195   2HB   ALA 129          HB2       ALA 129   4.392  12.648   1.853
  196   3HB   ALA 129          HB3       ALA 129   4.378  12.800   0.097
  197    H    ASP 130           HN       ASP 130   4.510  10.487  -1.521
  198    HA   ASP 130           HA       ASP 130   1.924  10.026  -2.771
  199   1HB   ASP 130          HB2       ASP 130   4.751  10.254  -3.763
  200   2HB   ASP 130          HB3       ASP 130   3.564   9.409  -4.746
  201    HA   PRO 131           HA       PRO 131   2.334   5.704  -1.889
  202   1HB   PRO 131          HB2       PRO 131  -0.328   5.462  -2.960
  203   2HB   PRO 131          HB3       PRO 131   0.193   5.322  -1.281
  204   1HG   PRO 131          HG2       PRO 131  -1.359   7.364  -2.281
  205   2HG   PRO 131          HG3       PRO 131  -0.384   7.472  -0.813
  206   1HD   PRO 131          HD2       PRO 131   0.166   8.532  -3.527
  207   2HD   PRO 131          HD3       PRO 131   0.600   9.199  -1.941
  208    H    THR 132           HN       THR 132   3.045   7.151  -4.513
  209    HA   THR 132           HA       THR 132   2.272   5.140  -6.444
  210    HB   THR 132           HB       THR 132   3.548   6.737  -7.983
  211    HG1  THR 132           HG1      THR 132   3.754   8.873  -7.092
  212   1HG2  THR 132          HG21      THR 132   1.096   6.631  -7.891
  213   2HG2  THR 132          HG22      THR 132   1.657   8.286  -8.129
  214   3HG2  THR 132          HG23      THR 132   1.101   7.764  -6.537
  215    H    LEU 133           HN       LEU 133   5.097   6.421  -4.816
  216    HA   LEU 133           HA       LEU 133   6.846   4.482  -6.153
  217   1HB   LEU 133          HB2       LEU 133   7.728   6.444  -4.079
  218   2HB   LEU 133          HB3       LEU 133   8.619   5.817  -5.454
  219    HG   LEU 133           HG       LEU 133   6.389   7.838  -5.645
  220   1HD1  LEU 133          HD11      LEU 133   8.146   9.472  -6.012
  221   2HD1  LEU 133          HD12      LEU 133   8.324   8.705  -4.430
  222   3HD1  LEU 133          HD13      LEU 133   9.373   8.228  -5.767
  223   1HD2  LEU 133          HD21      LEU 133   8.413   6.919  -7.681
  224   2HD2  LEU 133          HD22      LEU 133   6.705   6.478  -7.659
  225   3HD2  LEU 133          HD23      LEU 133   7.179   8.157  -7.915
  226    H    TRP 134           HN       TRP 134   4.919   4.359  -3.451
  227    HA   TRP 134           HA       TRP 134   6.545   3.016  -1.691
  228   1HB   TRP 134          HB2       TRP 134   3.697   2.429  -2.499
  229   2HB   TRP 134          HB3       TRP 134   4.498   1.655  -1.141
  230    HD1  TRP 134           HD1      TRP 134   5.704   5.020  -0.892
  231    HE1  TRP 134           HE1      TRP 134   4.261   6.472   0.650
  232    HE3  TRP 134           HE3      TRP 134   1.603   2.002  -0.596
  233    HZ2  TRP 134           HZ2      TRP 134   1.718   6.340   1.854
  234    HZ3  TRP 134           HZ3      TRP 134  -0.291   2.734   0.790
  235    HH2  TRP 134           HH2      TRP 134  -0.232   4.855   1.991
  236    H    SER 135           HN       SER 135   7.825   1.298  -2.007
  237    HA   SER 135           HA       SER 135   7.891  -0.190  -4.360
  238   1HB   SER 135          HB2       SER 135   9.897  -0.246  -3.206
  239   2HB   SER 135          HB3       SER 135   9.116  -0.478  -1.646
  240    HG   SER 135           HG       SER 135   9.654  -2.484  -1.921
  241    H    THR 136           HN       THR 136   7.374  -2.283  -4.755
  242    HA   THR 136           HA       THR 136   5.055  -3.530  -4.248
  243    HB   THR 136           HB       THR 136   6.330  -5.791  -4.187
  244    HG1  THR 136           HG1      THR 136   8.378  -3.937  -4.072
  245   1HG2  THR 136          HG21      THR 136   5.308  -4.874  -6.204
  246   2HG2  THR 136          HG22      THR 136   6.867  -5.606  -6.581
  247   3HG2  THR 136          HG23      THR 136   6.720  -3.852  -6.471
  248    H    ASP 137           HN       ASP 137   7.778  -3.556  -1.959
  249    HA   ASP 137           HA       ASP 137   6.280  -5.163  -0.064
  250   1HB   ASP 137          HB2       ASP 137   8.224  -5.297   1.253
  251   2HB   ASP 137          HB3       ASP 137   8.814  -5.357  -0.404
  252    H    HIS 138           HN       HIS 138   7.231  -1.704  -0.486
  253    HA   HIS 138           HA       HIS 138   6.302  -0.891   2.030
  254   1HB   HIS 138          HB2       HIS 138   6.732   0.555  -0.570
  255   2HB   HIS 138          HB3       HIS 138   6.197   1.371   0.890
  256    HD2  HIS 138           HD2      HIS 138   8.100   1.253   3.035
  257    HE1  HIS 138           HE1      HIS 138  11.304   0.621   0.348
  258    HE2  HIS 138           HE2      HIS 138  10.676   1.034   2.767
  259    H    VAL 139           HN       VAL 139   4.455  -2.068  -0.579
  260    HA   VAL 139           HA       VAL 139   2.353  -0.091  -0.168
  261    HB   VAL 139           HB       VAL 139   2.863  -2.107  -2.316
  262   1HG1  VAL 139          HG11      VAL 139   0.490  -2.115  -3.014
  263   2HG1  VAL 139          HG12      VAL 139   0.718  -2.928  -1.465
  264   3HG1  VAL 139          HG13      VAL 139   0.058  -1.291  -1.515
  265   1HG2  VAL 139          HG21      VAL 139   1.971  -0.329  -3.711
  266   2HG2  VAL 139          HG22      VAL 139   1.525   0.588  -2.272
  267   3HG2  VAL 139          HG23      VAL 139   3.227   0.291  -2.637
  268    H    ARG 140           HN       ARG 140   3.304  -3.389   0.065
  269    HA   ARG 140           HA       ARG 140   0.935  -4.366   1.304
  270   1HB   ARG 140          HB2       ARG 140   2.563  -5.765   0.026
  271   2HB   ARG 140          HB3       ARG 140   3.729  -5.521   1.319
  272   1HG   ARG 140          HG2       ARG 140   1.180  -6.465   2.276
  273   2HG   ARG 140          HG3       ARG 140   1.925  -7.574   1.128
  274   1HD   ARG 140          HD2       ARG 140   3.407  -6.404   3.460
  275   2HD   ARG 140          HD3       ARG 140   2.495  -7.906   3.575
  276    HE   ARG 140           HE       ARG 140   4.436  -7.820   1.425
  277   1HH1  ARG 140          HH12      ARG 140   3.781  -8.633   4.764
  278   2HH1  ARG 140          HH11      ARG 140   5.064  -9.809   4.868
  279   1HH2  ARG 140          HH22      ARG 140   6.130  -9.363   1.549
  280   2HH2  ARG 140          HH21      ARG 140   6.423 -10.201   3.044
  281    H    GLN 141           HN       GLN 141   3.741  -2.675   2.286
  282    HA   GLN 141           HA       GLN 141   3.801  -3.339   5.011
  283   1HB   GLN 141          HB2       GLN 141   5.728  -2.293   4.128
  284   2HB   GLN 141          HB3       GLN 141   4.794  -0.981   3.428
  285   1HG   GLN 141          HG2       GLN 141   4.400  -0.015   5.579
  286   2HG   GLN 141          HG3       GLN 141   5.130  -1.413   6.385
  287   1HE2  GLN 141          HE21      GLN 141   7.273  -1.645   4.395
  288   2HE2  GLN 141          HE22      GLN 141   8.368  -0.346   4.732
  289    H    TRP 142           HN       TRP 142   2.667  -0.229   3.623
  290    HA   TRP 142           HA       TRP 142   1.185   0.542   5.822
  291   1HB   TRP 142          HB2       TRP 142   1.582   2.044   3.898
  292   2HB   TRP 142          HB3       TRP 142   0.475   1.083   2.927
  293    HD1  TRP 142           HD1      TRP 142   0.455   3.407   5.997
  294    HE1  TRP 142           HE1      TRP 142  -1.945   4.249   6.381
  295    HE3  TRP 142           HE3      TRP 142  -1.930   0.752   2.337
  296    HZ2  TRP 142           HZ2      TRP 142  -4.504   3.836   5.304
  297    HZ3  TRP 142           HZ3      TRP 142  -4.354   1.052   2.052
  298    HH2  TRP 142           HH2      TRP 142  -5.614   2.574   3.500
  299    H    LEU 143           HN       LEU 143   0.036  -1.004   2.934
  300    HA   LEU 143           HA       LEU 143  -2.527  -1.502   3.513
  301   1HB   LEU 143          HB2       LEU 143  -1.351  -2.128   1.445
  302   2HB   LEU 143          HB3       LEU 143  -0.664  -3.507   2.267
  303    HG   LEU 143           HG       LEU 143  -3.214  -4.095   2.648
  304   1HD1  LEU 143          HD11      LEU 143  -4.125  -2.104   1.646
  305   2HD1  LEU 143          HD12      LEU 143  -3.195  -2.381   0.168
  306   3HD1  LEU 143          HD13      LEU 143  -4.497  -3.488   0.615
  307   1HD2  LEU 143          HD21      LEU 143  -1.757  -4.507   0.051
  308   2HD2  LEU 143          HD22      LEU 143  -1.530  -5.452   1.524
  309   3HD2  LEU 143          HD23      LEU 143  -3.078  -5.495   0.678
  310    H    GLU 144           HN       GLU 144   0.155  -3.253   4.876
  311    HA   GLU 144           HA       GLU 144  -1.560  -5.124   6.309
  312   1HB   GLU 144          HB2       GLU 144   1.351  -4.808   6.048
  313   2HB   GLU 144          HB3       GLU 144   0.840  -5.260   7.670
  314   1HG   GLU 144          HG2       GLU 144  -0.439  -7.144   6.660
  315   2HG   GLU 144          HG3       GLU 144   0.281  -6.737   5.110
  316    H    TRP 145           HN       TRP 145   0.596  -2.517   7.246
  317    HA   TRP 145           HA       TRP 145  -0.251  -2.097   9.864
  318   1HB   TRP 145          HB2       TRP 145   1.592  -0.876   9.532
  319   2HB   TRP 145          HB3       TRP 145   1.290  -0.726   7.814
  320    HD1  TRP 145           HD1      TRP 145   0.861   1.602   6.995
  321    HE1  TRP 145           HE1      TRP 145   0.258   3.851   8.034
  322    HE3  TRP 145           HE3      TRP 145   0.068   0.069  11.769
  323    HZ2  TRP 145           HZ2      TRP 145  -0.489   4.867  10.563
  324    HZ3  TRP 145           HZ3      TRP 145  -0.589   1.739  13.452
  325    HH2  TRP 145           HH2      TRP 145  -0.862   4.091  12.865
  326    H    ALA 146           HN       ALA 146  -2.160  -1.876   7.209
  327    HA   ALA 146           HA       ALA 146  -3.737   0.467   8.058
  328   1HB   ALA 146          HB1       ALA 146  -3.166   0.349   5.700
  329   2HB   ALA 146          HB2       ALA 146  -3.957  -1.225   5.575
  330   3HB   ALA 146          HB3       ALA 146  -4.908   0.215   5.937
  331    H    VAL 147           HN       VAL 147  -4.240  -2.807   6.891
  332    HA   VAL 147           HA       VAL 147  -6.665  -3.449   8.005
  333    HB   VAL 147           HB       VAL 147  -4.226  -5.237   7.872
  334   1HG1  VAL 147          HG11      VAL 147  -5.804  -7.103   7.914
  335   2HG1  VAL 147          HG12      VAL 147  -5.921  -6.142   9.389
  336   3HG1  VAL 147          HG13      VAL 147  -7.143  -5.975   8.126
  337   1HG2  VAL 147          HG21      VAL 147  -5.202  -6.020   5.767
  338   2HG2  VAL 147          HG22      VAL 147  -6.509  -4.849   5.941
  339   3HG2  VAL 147          HG23      VAL 147  -4.851  -4.294   5.714
  340    H    LYS 148           HN       LYS 148  -3.531  -3.218   9.538
  341    HA   LYS 148           HA       LYS 148  -4.393  -4.314  12.032
  342   1HB   LYS 148          HB2       LYS 148  -1.851  -2.861  11.294
  343   2HB   LYS 148          HB3       LYS 148  -2.146  -3.639  12.844
  344   1HG   LYS 148          HG2       LYS 148  -1.956  -4.969  10.148
  345   2HG   LYS 148          HG3       LYS 148  -0.816  -5.096  11.489
  346   1HD   LYS 148          HD2       LYS 148  -2.488  -6.235  12.835
  347   2HD   LYS 148          HD3       LYS 148  -3.682  -6.046  11.552
  348   1HE   LYS 148          HE2       LYS 148  -2.221  -7.393  10.071
  349   2HE   LYS 148          HE3       LYS 148  -1.152  -7.675  11.445
  350   1HZ   LYS 148          HZ1       LYS 148  -4.025  -8.432  11.344
  351   2HZ   LYS 148          HZ2       LYS 148  -2.939  -8.776  12.600
  352   3HZ   LYS 148          HZ3       LYS 148  -2.732  -9.500  11.077
  353    H    GLU 149           HN       GLU 149  -3.890  -0.820  10.888
  354    HA   GLU 149           HA       GLU 149  -4.692   0.054  13.395
  355   1HB   GLU 149          HB2       GLU 149  -3.262   1.318  11.865
  356   2HB   GLU 149          HB3       GLU 149  -4.565   1.423  10.679
  357   1HG   GLU 149          HG2       GLU 149  -4.318   3.509  11.873
  358   2HG   GLU 149          HG3       GLU 149  -5.869   2.768  12.258
  359    H    TYR 150           HN       TYR 150  -6.666  -0.986  10.660
  360    HA   TYR 150           HA       TYR 150  -8.667   0.992  11.464
  361   1HB   TYR 150          HB2       TYR 150  -8.166  -0.201   8.736
  362   2HB   TYR 150          HB3       TYR 150  -9.498   0.872   9.135
  363    HD1  TYR 150           HD1      TYR 150  -8.431   2.995  10.666
  364    HD2  TYR 150           HD2      TYR 150  -6.575   0.892   7.466
  365    HE1  TYR 150           HE1      TYR 150  -6.983   4.935  10.236
  366    HE2  TYR 150           HE2      TYR 150  -5.130   2.829   7.020
  367    HH   TYR 150           HH       TYR 150  -5.166   5.280   7.418
  368    H    GLY 151           HN       GLY 151  -7.891  -2.204  11.545
  369   1HA   GLY 151          HA1       GLY 151  -9.088  -3.993  12.388
  370   2HA   GLY 151          HA2       GLY 151 -10.456  -2.909  12.602
  371    H    LEU 152           HN       LEU 152  -8.651  -3.955   9.733
  372    HA   LEU 152           HA       LEU 152 -11.157  -4.135   8.276
  373   1HB   LEU 152          HB2       LEU 152  -8.334  -4.553   7.298
  374   2HB   LEU 152          HB3       LEU 152  -9.762  -4.313   6.308
  375    HG   LEU 152           HG       LEU 152  -8.511  -2.267   8.142
  376   1HD1  LEU 152          HD11      LEU 152  -7.981  -1.085   6.081
  377   2HD1  LEU 152          HD12      LEU 152  -7.218  -2.675   6.120
  378   3HD1  LEU 152          HD13      LEU 152  -8.660  -2.412   5.137
  379   1HD2  LEU 152          HD21      LEU 152 -10.928  -2.020   8.077
  380   2HD2  LEU 152          HD22      LEU 152 -10.141  -0.710   7.193
  381   3HD2  LEU 152          HD23      LEU 152 -10.895  -2.040   6.313
  382    HA   PRO 153           HA       PRO 153 -11.194  -8.511   9.080
  383   1HB   PRO 153          HB2       PRO 153 -13.800  -8.574   7.851
  384   2HB   PRO 153          HB3       PRO 153 -13.389  -8.691   9.561
  385   1HG   PRO 153          HG2       PRO 153 -14.706  -6.564   8.436
  386   2HG   PRO 153          HG3       PRO 153 -13.749  -6.468   9.923
  387   1HD   PRO 153          HD2       PRO 153 -13.013  -5.662   7.139
  388   2HD   PRO 153          HD3       PRO 153 -12.638  -4.864   8.680
  389    H    ASP 154           HN       ASP 154 -12.772  -7.496   6.014
  390    HA   ASP 154           HA       ASP 154 -12.006 -10.036   4.870
  391   1HB   ASP 154          HB2       ASP 154 -14.255  -8.600   4.663
  392   2HB   ASP 154          HB3       ASP 154 -13.422  -8.013   3.227
  393    H    VAL 155           HN       VAL 155 -10.048  -7.624   5.217
  394    HA   VAL 155           HA       VAL 155  -9.230  -7.276   2.457
  395    HB   VAL 155           HB       VAL 155  -7.819  -6.398   4.987
  396   1HG1  VAL 155          HG11      VAL 155  -7.292  -5.687   2.099
  397   2HG1  VAL 155          HG12      VAL 155  -6.483  -4.981   3.498
  398   3HG1  VAL 155          HG13      VAL 155  -6.264  -6.690   3.123
  399   1HG2  VAL 155          HG21      VAL 155  -9.954  -5.278   4.687
  400   2HG2  VAL 155          HG22      VAL 155  -8.628  -4.159   4.367
  401   3HG2  VAL 155          HG23      VAL 155  -9.527  -4.871   3.025
  402    H    ASN 156           HN       ASN 156  -8.186  -8.807   1.433
  403    HA   ASN 156           HA       ASN 156  -6.521 -10.674   2.967
  404   1HB   ASN 156          HB2       ASN 156  -8.413 -11.372   1.280
  405   2HB   ASN 156          HB3       ASN 156  -7.178 -11.052   0.065
  406   1HD2  ASN 156          HD21      ASN 156  -6.340 -12.183   3.224
  407   2HD2  ASN 156          HD22      ASN 156  -5.880 -13.778   2.751
  408    H    ILE 157           HN       ILE 157  -4.491  -9.983   3.134
  409    HA   ILE 157           HA       ILE 157  -3.793  -7.795   1.457
  410    HB   ILE 157           HB       ILE 157  -2.143  -9.110   3.641
  411   1HG1  ILE 157          HG12      ILE 157  -3.803  -6.595   3.781
  412   2HG1  ILE 157          HG13      ILE 157  -4.299  -8.168   4.380
  413   1HG2  ILE 157          HG21      ILE 157  -0.592  -7.922   2.364
  414   2HG2  ILE 157          HG22      ILE 157  -1.701  -6.571   2.122
  415   3HG2  ILE 157          HG23      ILE 157  -0.993  -6.853   3.704
  416   1HD1  ILE 157          HD11      ILE 157  -2.589  -8.180   6.021
  417   2HD1  ILE 157          HD12      ILE 157  -1.869  -6.720   5.343
  418   3HD1  ILE 157          HD13      ILE 157  -3.448  -6.641   6.125
  419    H    LEU 158           HN       LEU 158  -2.730 -11.100   1.717
  420    HA   LEU 158           HA       LEU 158  -0.393 -10.909   0.187
  421   1HB   LEU 158          HB2       LEU 158  -0.680 -13.344  -0.200
  422   2HB   LEU 158          HB3       LEU 158  -0.713 -12.848   1.478
  423    HG   LEU 158           HG       LEU 158  -3.305 -13.235   0.027
  424   1HD1  LEU 158          HD11      LEU 158  -1.643 -15.435   1.259
  425   2HD1  LEU 158          HD12      LEU 158  -3.295 -15.591   0.659
  426   3HD1  LEU 158          HD13      LEU 158  -1.979 -15.242  -0.463
  427   1HD2  LEU 158          HD21      LEU 158  -2.400 -13.673   2.874
  428   2HD2  LEU 158          HD22      LEU 158  -3.311 -12.283   2.279
  429   3HD2  LEU 158          HD23      LEU 158  -4.043 -13.888   2.269
  430    H    LEU 159           HN       LEU 159  -3.163  -9.816  -0.995
  431    HA   LEU 159           HA       LEU 159  -2.949 -11.092  -3.620
  432   1HB   LEU 159          HB2       LEU 159  -5.057  -9.409  -2.292
  433   2HB   LEU 159          HB3       LEU 159  -4.971  -9.476  -4.039
  434    HG   LEU 159           HG       LEU 159  -5.396 -11.870  -4.018
  435   1HD1  LEU 159          HD11      LEU 159  -4.252 -12.463  -1.955
  436   2HD1  LEU 159          HD12      LEU 159  -5.478 -11.611  -1.014
  437   3HD1  LEU 159          HD13      LEU 159  -5.915 -13.050  -1.936
  438   1HD2  LEU 159          HD21      LEU 159  -7.313 -10.292  -3.977
  439   2HD2  LEU 159          HD22      LEU 159  -7.681 -11.850  -3.233
  440   3HD2  LEU 159          HD23      LEU 159  -7.357 -10.446  -2.218
  441    H    PHE 160           HN       PHE 160  -2.276  -8.226  -1.791
  442    HA   PHE 160           HA       PHE 160  -1.950  -6.638  -4.192
  443   1HB   PHE 160          HB2       PHE 160  -1.761  -5.853  -1.285
  444   2HB   PHE 160          HB3       PHE 160  -1.600  -4.736  -2.632
  445    HD1  PHE 160           HD1      PHE 160  -3.940  -6.996  -0.886
  446    HD2  PHE 160           HD2      PHE 160  -3.502  -3.859  -3.731
  447    HE1  PHE 160           HE1      PHE 160  -6.383  -6.687  -0.919
  448    HE2  PHE 160           HE2      PHE 160  -5.940  -3.541  -3.762
  449    HZ   PHE 160           HZ       PHE 160  -7.376  -4.896  -2.277
  450    H    GLN 161           HN       GLN 161  -0.189  -8.546  -2.166
  451    HA   GLN 161           HA       GLN 161   2.210  -7.479  -1.520
  452   1HB   GLN 161          HB2       GLN 161   1.611 -10.235  -2.520
  453   2HB   GLN 161          HB3       GLN 161   3.195  -9.776  -1.907
  454   1HG   GLN 161          HG2       GLN 161   2.124  -9.085   0.208
  455   2HG   GLN 161          HG3       GLN 161   0.589  -9.687  -0.409
  456   1HE2  GLN 161          HE21      GLN 161   2.076 -10.504   1.938
  457   2HE2  GLN 161          HE22      GLN 161   2.403 -12.194   1.745
  458    H    ASN 162           HN       ASN 162   1.298  -8.361  -4.803
  459    HA   ASN 162           HA       ASN 162   4.062  -7.891  -5.686
  460   1HB   ASN 162          HB2       ASN 162   1.738  -9.081  -7.221
  461   2HB   ASN 162          HB3       ASN 162   3.387  -8.922  -7.814
  462   1HD2  ASN 162          HD21      ASN 162   4.466  -9.592  -5.131
  463   2HD2  ASN 162          HD22      ASN 162   4.290 -11.303  -4.987
  464    H    ILE 163           HN       ILE 163   1.561  -6.107  -5.046
  465    HA   ILE 163           HA       ILE 163   1.668  -4.400  -7.433
  466    HB   ILE 163           HB       ILE 163  -0.180  -4.343  -5.031
  467   1HG1  ILE 163          HG12      ILE 163  -0.755  -5.103  -7.901
  468   2HG1  ILE 163          HG13      ILE 163  -0.567  -6.238  -6.568
  469   1HG2  ILE 163          HG21      ILE 163  -1.457  -2.650  -6.212
  470   2HG2  ILE 163          HG22      ILE 163   0.194  -2.106  -5.919
  471   3HG2  ILE 163          HG23      ILE 163  -0.280  -2.662  -7.524
  472   1HD1  ILE 163          HD11      ILE 163  -2.914  -5.830  -7.120
  473   2HD1  ILE 163          HD12      ILE 163  -2.523  -5.320  -5.477
  474   3HD1  ILE 163          HD13      ILE 163  -2.695  -4.118  -6.756
  475    H    ASP 164           HN       ASP 164   2.871  -2.653  -7.437
  476    HA   ASP 164           HA       ASP 164   3.899  -1.641  -4.887
  477   1HB   ASP 164          HB2       ASP 164   5.488  -0.358  -6.215
  478   2HB   ASP 164          HB3       ASP 164   5.543  -2.051  -6.695
  479    H    GLY 165           HN       GLY 165   4.326   0.950  -5.300
  480   1HA   GLY 165          HA1       GLY 165   1.830   2.056  -4.710
  481   2HA   GLY 165          HA2       GLY 165   3.285   2.969  -5.072
  482    H    LYS 166           HN       LYS 166   3.540   1.862  -7.788
  483    HA   LYS 166           HA       LYS 166   2.056   3.948  -9.045
  484   1HB   LYS 166          HB2       LYS 166   3.284   3.454 -10.935
  485   2HB   LYS 166          HB3       LYS 166   4.342   2.826  -9.682
  486   1HG   LYS 166          HG2       LYS 166   3.337   0.596 -10.047
  487   2HG   LYS 166          HG3       LYS 166   2.484   1.261 -11.439
  488   1HD   LYS 166          HD2       LYS 166   4.632   1.892 -12.454
  489   2HD   LYS 166          HD3       LYS 166   5.481   1.183 -11.079
  490   1HE   LYS 166          HE2       LYS 166   3.590  -0.369 -12.826
  491   2HE   LYS 166          HE3       LYS 166   5.318  -0.255 -13.145
  492   1HZ   LYS 166          HZ1       LYS 166   4.424  -2.238 -11.806
  493   2HZ   LYS 166          HZ2       LYS 166   4.350  -1.155 -10.502
  494   3HZ   LYS 166          HZ3       LYS 166   5.828  -1.467 -11.265
  495    H    GLU 167           HN       GLU 167   1.663   0.623  -8.399
  496    HA   GLU 167           HA       GLU 167  -0.341   0.216 -10.454
  497   1HB   GLU 167          HB2       GLU 167   1.508  -1.437  -9.955
  498   2HB   GLU 167          HB3       GLU 167   0.705  -1.770  -8.429
  499   1HG   GLU 167          HG2       GLU 167   0.145  -3.461 -10.034
  500   2HG   GLU 167          HG3       GLU 167  -1.289  -2.502  -9.666
  501    H    LEU 168           HN       LEU 168  -0.041   0.638  -6.989
  502    HA   LEU 168           HA       LEU 168  -2.813  -0.041  -6.541
  503   1HB   LEU 168          HB2       LEU 168  -1.123  -0.697  -4.887
  504   2HB   LEU 168          HB3       LEU 168  -0.673   0.979  -4.666
  505    HG   LEU 168           HG       LEU 168  -3.070   1.359  -3.878
  506   1HD1  LEU 168          HD11      LEU 168  -2.981  -1.648  -3.734
  507   2HD1  LEU 168          HD12      LEU 168  -4.182  -0.629  -2.937
  508   3HD1  LEU 168          HD13      LEU 168  -4.083  -0.666  -4.699
  509   1HD2  LEU 168          HD21      LEU 168  -1.283  -0.422  -2.230
  510   2HD2  LEU 168          HD22      LEU 168  -1.130   1.329  -2.387
  511   3HD2  LEU 168          HD23      LEU 168  -2.558   0.634  -1.621
  512    H    CYS 169           HN       CYS 169  -0.871   2.908  -6.795
  513    HA   CYS 169           HA       CYS 169  -3.057   4.367  -5.690
  514   1HB   CYS 169          HB2       CYS 169  -0.804   5.243  -5.292
  515   2HB   CYS 169          HB3       CYS 169  -0.527   5.391  -7.025
  516    HG   CYS 169           HG       CYS 169  -3.091   7.142  -6.763
  517    H    LYS 170           HN       LYS 170  -2.387   2.988  -8.630
  518    HA   LYS 170           HA       LYS 170  -4.349   4.739  -9.963
  519   1HB   LYS 170          HB2       LYS 170  -2.226   2.983 -11.206
  520   2HB   LYS 170          HB3       LYS 170  -3.484   3.825 -12.105
  521   1HG   LYS 170          HG2       LYS 170  -2.516   5.930 -10.878
  522   2HG   LYS 170          HG3       LYS 170  -1.079   4.915 -10.731
  523   1HD   LYS 170          HD2       LYS 170  -0.987   6.307 -12.745
  524   2HD   LYS 170          HD3       LYS 170  -1.055   4.590 -13.155
  525   1HE   LYS 170          HE2       LYS 170  -2.533   5.948 -14.580
  526   2HE   LYS 170          HE3       LYS 170  -3.422   4.764 -13.624
  527   1HZ   LYS 170          HZ1       LYS 170  -3.213   7.682 -13.133
  528   2HZ   LYS 170          HZ2       LYS 170  -3.872   6.598 -12.012
  529   3HZ   LYS 170          HZ3       LYS 170  -4.602   6.796 -13.524
  530    H    MET 171           HN       MET 171  -4.871   2.700  -8.066
  531    HA   MET 171           HA       MET 171  -6.339   0.679  -9.587
  532   1HB   MET 171          HB2       MET 171  -6.100   1.248  -6.641
  533   2HB   MET 171          HB3       MET 171  -7.114  -0.020  -7.322
  534   1HG   MET 171          HG2       MET 171  -4.192   0.103  -7.928
  535   2HG   MET 171          HG3       MET 171  -4.782  -0.592  -6.428
  536   1HE   MET 171          HE1       MET 171  -5.621  -2.936  -6.154
  537   2HE   MET 171          HE2       MET 171  -7.139  -2.302  -6.787
  538   3HE   MET 171          HE3       MET 171  -6.494  -3.823  -7.403
  539    H    THR 172           HN       THR 172  -8.603   0.767  -9.804
  540    HA   THR 172           HA       THR 172  -9.849   3.277  -8.996
  541    HB   THR 172           HB       THR 172 -11.786   2.532 -10.303
  542    HG1  THR 172           HG1      THR 172 -10.170   0.228 -10.824
  543   1HG2  THR 172          HG21      THR 172 -10.037   3.801 -11.427
  544   2HG2  THR 172          HG22      THR 172 -10.739   2.615 -12.525
  545   3HG2  THR 172          HG23      THR 172  -9.170   2.308 -11.787
  546    H    LYS 173           HN       LYS 173 -12.123   3.095  -8.093
  547    HA   LYS 173           HA       LYS 173 -12.156   1.773  -5.655
  548   1HB   LYS 173          HB2       LYS 173 -14.542   2.563  -7.329
  549   2HB   LYS 173          HB3       LYS 173 -14.571   2.199  -5.610
  550   1HG   LYS 173          HG2       LYS 173 -13.070   4.102  -5.210
  551   2HG   LYS 173          HG3       LYS 173 -13.142   4.494  -6.929
  552   1HD   LYS 173          HD2       LYS 173 -15.479   4.426  -5.024
  553   2HD   LYS 173          HD3       LYS 173 -14.682   5.876  -5.631
  554   1HE   LYS 173          HE2       LYS 173 -16.129   3.825  -7.304
  555   2HE   LYS 173          HE3       LYS 173 -16.759   5.402  -6.839
  556   1HZ   LYS 173          HZ1       LYS 173 -15.917   5.537  -9.046
  557   2HZ   LYS 173          HZ2       LYS 173 -14.430   4.860  -8.600
  558   3HZ   LYS 173          HZ3       LYS 173 -14.860   6.406  -8.043
  559    H    ASP 174           HN       ASP 174 -12.992   0.570  -8.837
  560    HA   ASP 174           HA       ASP 174 -14.486  -1.648  -7.780
  561   1HB   ASP 174          HB2       ASP 174 -14.986  -0.471  -9.961
  562   2HB   ASP 174          HB3       ASP 174 -13.535  -1.225 -10.614
  563    H    ASP 175           HN       ASP 175 -11.237  -0.928  -8.655
  564    HA   ASP 175           HA       ASP 175 -10.311  -3.576  -9.170
  565   1HB   ASP 175          HB2       ASP 175  -8.966  -0.976  -8.474
  566   2HB   ASP 175          HB3       ASP 175  -8.055  -2.478  -8.522
  567    H    PHE 176           HN       PHE 176 -10.735  -1.654  -6.293
  568    HA   PHE 176           HA       PHE 176  -9.474  -3.700  -4.678
  569   1HB   PHE 176          HB2       PHE 176 -11.092  -1.237  -3.979
  570   2HB   PHE 176          HB3       PHE 176 -10.680  -2.424  -2.758
  571    HD1  PHE 176           HD1      PHE 176  -9.046  -0.391  -5.379
  572    HD2  PHE 176           HD2      PHE 176  -8.825  -2.020  -1.457
  573    HE1  PHE 176           HE1      PHE 176  -6.910   0.744  -5.048
  574    HE2  PHE 176           HE2      PHE 176  -6.674  -0.865  -1.105
  575    HZ   PHE 176           HZ       PHE 176  -5.773   0.562  -2.697
  576    H    GLN 177           HN       GLN 177 -12.654  -3.103  -5.894
  577    HA   GLN 177           HA       GLN 177 -13.913  -4.651  -3.817
  578   1HB   GLN 177          HB2       GLN 177 -14.968  -3.616  -6.442
  579   2HB   GLN 177          HB3       GLN 177 -15.935  -4.386  -5.192
  580   1HG   GLN 177          HG2       GLN 177 -15.111  -2.570  -3.632
  581   2HG   GLN 177          HG3       GLN 177 -14.490  -1.762  -5.068
  582   1HE2  GLN 177          HE21      GLN 177 -16.707  -2.694  -6.705
  583   2HE2  GLN 177          HE22      GLN 177 -18.069  -1.729  -6.265
  584    H    ARG 178           HN       ARG 178 -12.003  -5.484  -6.378
  585    HA   ARG 178           HA       ARG 178 -13.368  -8.061  -6.760
  586   1HB   ARG 178          HB2       ARG 178 -11.833  -8.422  -8.661
  587   2HB   ARG 178          HB3       ARG 178 -12.835  -6.996  -8.862
  588   1HG   ARG 178          HG2       ARG 178 -10.959  -5.573  -8.223
  589   2HG   ARG 178          HG3       ARG 178  -9.955  -7.008  -7.986
  590   1HD   ARG 178          HD2       ARG 178 -10.116  -7.580 -10.312
  591   2HD   ARG 178          HD3       ARG 178 -11.281  -6.290 -10.596
  592    HE   ARG 178           HE       ARG 178  -9.518  -4.697 -10.308
  593   1HH1  ARG 178          HH12      ARG 178  -8.447  -8.036 -10.492
  594   2HH1  ARG 178          HH11      ARG 178  -6.810  -7.610 -10.917
  595   1HH2  ARG 178          HH22      ARG 178  -7.404  -4.144 -10.913
  596   2HH2  ARG 178          HH21      ARG 178  -6.221  -5.397 -11.172
  597    H    LEU 179           HN       LEU 179 -11.163  -6.689  -4.846
  598    HA   LEU 179           HA       LEU 179  -9.881  -9.292  -4.323
  599   1HB   LEU 179          HB2       LEU 179  -8.749  -6.549  -3.732
  600   2HB   LEU 179          HB3       LEU 179  -7.958  -8.081  -3.425
  601    HG   LEU 179           HG       LEU 179  -8.625  -6.972  -6.155
  602   1HD1  LEU 179          HD11      LEU 179  -6.206  -6.710  -6.397
  603   2HD1  LEU 179          HD12      LEU 179  -6.835  -5.732  -5.072
  604   3HD1  LEU 179          HD13      LEU 179  -5.982  -7.236  -4.728
  605   1HD2  LEU 179          HD21      LEU 179  -7.125  -9.459  -5.347
  606   2HD2  LEU 179          HD22      LEU 179  -8.696  -9.396  -6.146
  607   3HD2  LEU 179          HD23      LEU 179  -7.253  -8.830  -6.990
  608    H    THR 180           HN       THR 180 -11.691  -6.634  -3.233
  609    HA   THR 180           HA       THR 180 -12.448  -7.802  -0.745
  610    HB   THR 180           HB       THR 180 -10.807  -5.243  -0.676
  611    HG1  THR 180           HG1      THR 180 -10.074  -7.831  -0.461
  612   1HG2  THR 180          HG21      THR 180 -11.113  -5.376   1.748
  613   2HG2  THR 180          HG22      THR 180 -12.147  -6.790   1.539
  614   3HG2  THR 180          HG23      THR 180 -12.655  -5.224   0.906
  615    HA   PRO 181           HA       PRO 181 -15.439  -5.405  -3.076
  616   1HB   PRO 181          HB2       PRO 181 -17.681  -6.631  -2.212
  617   2HB   PRO 181          HB3       PRO 181 -16.554  -7.394  -3.340
  618   1HG   PRO 181          HG2       PRO 181 -16.835  -7.779  -0.385
  619   2HG   PRO 181          HG3       PRO 181 -16.584  -8.994  -1.652
  620   1HD   PRO 181          HD2       PRO 181 -14.580  -8.034  -0.067
  621   2HD   PRO 181          HD3       PRO 181 -14.320  -8.638  -1.714
  622    H    SER 182           HN       SER 182 -16.401  -3.560  -2.800
  623    HA   SER 182           HA       SER 182 -17.397  -1.738  -1.959
  624   1HB   SER 182          HB2       SER 182 -18.685  -3.718  -0.073
  625   2HB   SER 182          HB3       SER 182 -19.245  -2.072  -0.379
  626    HG   SER 182           HG       SER 182 -18.865  -3.796  -2.558
  627    H    TYR 183           HN       TYR 183 -17.304  -3.328   1.201
  628    HA   TYR 183           HA       TYR 183 -16.123  -0.949   2.298
  629   1HB   TYR 183          HB2       TYR 183 -16.351  -2.029   4.462
  630   2HB   TYR 183          HB3       TYR 183 -17.854  -2.149   3.559
  631    HD1  TYR 183           HD1      TYR 183 -15.299  -3.952   5.309
  632    HD2  TYR 183           HD2      TYR 183 -18.390  -4.363   2.412
  633    HE1  TYR 183           HE1      TYR 183 -15.326  -6.379   5.689
  634    HE2  TYR 183           HE2      TYR 183 -18.422  -6.795   2.784
  635    HH   TYR 183           HH       TYR 183 -16.937  -8.550   3.630
  636    H    ASN 184           HN       ASN 184 -14.154  -0.833   3.398
  637    HA   ASN 184           HA       ASN 184 -12.022  -1.307   3.985
  638   1HB   ASN 184          HB2       ASN 184 -12.467  -3.922   2.584
  639   2HB   ASN 184          HB3       ASN 184 -10.955  -3.481   3.366
  640   1HD2  ASN 184          HD21      ASN 184 -12.772  -2.112   5.501
  641   2HD2  ASN 184          HD22      ASN 184 -13.244  -3.429   6.504
  642    H    ALA 185           HN       ALA 185 -13.081  -2.160   0.714
  643    HA   ALA 185           HA       ALA 185 -10.905  -1.117  -0.734
  644   1HB   ALA 185          HB1       ALA 185 -12.541  -0.812  -2.524
  645   2HB   ALA 185          HB2       ALA 185 -12.765  -2.376  -1.746
  646   3HB   ALA 185          HB3       ALA 185 -13.861  -1.045  -1.379
  647    H    ASP 186           HN       ASP 186 -13.994   0.365   0.224
  648    HA   ASP 186           HA       ASP 186 -13.328   3.055  -0.260
  649   1HB   ASP 186          HB2       ASP 186 -15.629   2.234  -0.022
  650   2HB   ASP 186          HB3       ASP 186 -15.329   1.833   1.661
  651    H    ILE 187           HN       ILE 187 -11.987   1.083   2.063
  652    HA   ILE 187           HA       ILE 187 -11.568   3.270   3.960
  653    HB   ILE 187           HB       ILE 187 -10.696   0.372   4.072
  654   1HG1  ILE 187          HG12      ILE 187 -13.112   0.715   4.411
  655   2HG1  ILE 187          HG13      ILE 187 -12.315   0.146   5.873
  656   1HG2  ILE 187          HG21      ILE 187  -9.073   1.804   5.186
  657   2HG2  ILE 187          HG22      ILE 187 -10.364   2.534   6.142
  658   3HG2  ILE 187          HG23      ILE 187  -9.967   0.828   6.353
  659   1HD1  ILE 187          HD11      ILE 187 -13.956   1.855   6.375
  660   2HD1  ILE 187          HD12      ILE 187 -12.331   2.419   6.762
  661   3HD1  ILE 187          HD13      ILE 187 -13.135   2.984   5.298
  662    H    LEU 188           HN       LEU 188  -9.581   0.789   2.417
  663    HA   LEU 188           HA       LEU 188  -7.073   1.879   2.771
  664   1HB   LEU 188          HB2       LEU 188  -8.027   0.229   0.447
  665   2HB   LEU 188          HB3       LEU 188  -6.363   0.455   0.958
  666    HG   LEU 188           HG       LEU 188  -8.467  -0.827   2.699
  667   1HD1  LEU 188          HD11      LEU 188  -8.145  -2.160   0.679
  668   2HD1  LEU 188          HD12      LEU 188  -6.401  -2.147   0.945
  669   3HD1  LEU 188          HD13      LEU 188  -7.462  -2.965   2.092
  670   1HD2  LEU 188          HD21      LEU 188  -5.457  -0.770   2.856
  671   2HD2  LEU 188          HD22      LEU 188  -6.567   0.127   3.892
  672   3HD2  LEU 188          HD23      LEU 188  -6.534  -1.635   3.953
  673    H    LEU 189           HN       LEU 189  -9.267   2.255  -0.018
  674    HA   LEU 189           HA       LEU 189  -7.429   3.545  -1.729
  675   1HB   LEU 189          HB2       LEU 189  -9.607   2.421  -2.313
  676   2HB   LEU 189          HB3       LEU 189 -10.422   3.827  -1.677
  677    HG   LEU 189           HG       LEU 189  -9.166   5.200  -3.387
  678   1HD1  LEU 189          HD11      LEU 189  -7.395   3.555  -3.853
  679   2HD1  LEU 189          HD12      LEU 189  -8.601   2.483  -4.568
  680   3HD1  LEU 189          HD13      LEU 189  -8.254   4.042  -5.316
  681   1HD2  LEU 189          HD21      LEU 189 -11.516   4.585  -3.627
  682   2HD2  LEU 189          HD22      LEU 189 -10.693   4.612  -5.186
  683   3HD2  LEU 189          HD23      LEU 189 -11.042   3.073  -4.401
  684    H    SER 190           HN       SER 190 -10.090   4.805   0.234
  685    HA   SER 190           HA       SER 190  -9.785   7.498  -0.203
  686   1HB   SER 190          HB2       SER 190 -10.577   6.206   2.416
  687   2HB   SER 190          HB3       SER 190 -11.000   7.832   1.874
  688    HG   SER 190           HG       SER 190 -12.277   5.543   1.401
  689    H    HIS 191           HN       HIS 191  -8.170   5.527   2.289
  690    HA   HIS 191           HA       HIS 191  -6.773   7.654   3.493
  691   1HB   HIS 191          HB2       HIS 191  -6.246   4.703   3.366
  692   2HB   HIS 191          HB3       HIS 191  -5.201   5.798   4.251
  693    HD2  HIS 191           HD2      HIS 191  -7.045   7.528   6.018
  694    HE1  HIS 191           HE1      HIS 191  -9.218   4.016   6.920
  695    HE2  HIS 191           HE2      HIS 191  -8.906   6.466   7.477
  696    H    LEU 192           HN       LEU 192  -5.951   5.532   0.803
  697    HA   LEU 192           HA       LEU 192  -3.290   6.327   0.544
  698   1HB   LEU 192          HB2       LEU 192  -4.724   4.427  -0.604
  699   2HB   LEU 192          HB3       LEU 192  -4.895   5.624  -1.875
  700    HG   LEU 192           HG       LEU 192  -2.243   5.731  -1.566
  701   1HD1  LEU 192          HD11      LEU 192  -2.975   2.908  -0.820
  702   2HD1  LEU 192          HD12      LEU 192  -1.357   3.481  -1.226
  703   3HD1  LEU 192          HD13      LEU 192  -2.174   4.092   0.212
  704   1HD2  LEU 192          HD21      LEU 192  -3.398   5.322  -3.664
  705   2HD2  LEU 192          HD22      LEU 192  -2.050   4.205  -3.459
  706   3HD2  LEU 192          HD23      LEU 192  -3.701   3.649  -3.186
  707    H    HIS 193           HN       HIS 193  -6.299   7.617  -0.634
  708    HA   HIS 193           HA       HIS 193  -5.109   9.578  -2.370
  709   1HB   HIS 193          HB2       HIS 193  -7.939   9.204  -1.389
  710   2HB   HIS 193          HB3       HIS 193  -7.455  10.479  -2.498
  711    HD2  HIS 193           HD2      HIS 193  -5.528   7.509  -3.599
  712    HE1  HIS 193           HE1      HIS 193  -9.244   7.256  -5.609
  713    HE2  HIS 193           HE2      HIS 193  -6.937   6.237  -5.366
  714    H    TYR 194           HN       TYR 194  -5.435   9.365   0.955
  715    HA   TYR 194           HA       TYR 194  -5.800  12.247   1.341
  716   1HB   TYR 194          HB2       TYR 194  -7.160  11.121   2.892
  717   2HB   TYR 194          HB3       TYR 194  -5.972   9.853   3.156
  718    HD1  TYR 194           HD1      TYR 194  -6.486  13.503   3.690
  719    HD2  TYR 194           HD2      TYR 194  -4.629   9.930   5.068
  720    HE1  TYR 194           HE1      TYR 194  -5.736  14.682   5.709
  721    HE2  TYR 194           HE2      TYR 194  -3.866  11.103   7.093
  722    HH   TYR 194           HH       TYR 194  -3.454  13.349   7.901
  723    H    LEU 195           HN       LEU 195  -3.642   9.537   2.036
  724    HA   LEU 195           HA       LEU 195  -1.462  10.901   3.074
  725   1HB   LEU 195          HB2       LEU 195  -1.715   8.445   1.396
  726   2HB   LEU 195          HB3       LEU 195  -0.176   8.990   2.007
  727    HG   LEU 195           HG       LEU 195  -2.548   8.120   3.644
  728   1HD1  LEU 195          HD11      LEU 195  -1.045   6.294   4.310
  729   2HD1  LEU 195          HD12      LEU 195  -1.358   6.301   2.572
  730   3HD1  LEU 195          HD13      LEU 195   0.174   6.913   3.189
  731   1HD2  LEU 195          HD21      LEU 195   0.172   9.065   4.556
  732   2HD2  LEU 195          HD22      LEU 195  -1.342   9.949   4.749
  733   3HD2  LEU 195          HD23      LEU 195  -1.103   8.416   5.588
  734    H    ARG 196           HN       ARG 196  -2.498  10.354  -0.196
  735    HA   ARG 196           HA       ARG 196  -0.161  11.389  -1.534
  736   1HB   ARG 196          HB2       ARG 196  -1.562   9.625  -2.444
  737   2HB   ARG 196          HB3       ARG 196  -2.929  10.733  -2.529
  738   1HG   ARG 196          HG2       ARG 196  -1.594  12.123  -4.103
  739   2HG   ARG 196          HG3       ARG 196  -0.355  10.865  -4.083
  740   1HD   ARG 196          HD2       ARG 196  -1.700  10.470  -5.991
  741   2HD   ARG 196          HD3       ARG 196  -2.133   9.250  -4.804
  742    HE   ARG 196           HE       ARG 196  -3.900  11.337  -4.409
  743   1HH1  ARG 196          HH12      ARG 196  -3.074   9.206  -7.065
  744   2HH1  ARG 196          HH11      ARG 196  -4.673   9.227  -7.750
  745   1HH2  ARG 196          HH22      ARG 196  -5.993  11.377  -5.308
  746   2HH2  ARG 196          HH21      ARG 196  -6.339  10.458  -6.740
  747    H    GLU 197           HN       GLU 197  -2.621  12.902   0.138
  748    HA   GLU 197           HA       GLU 197  -3.019  15.172  -1.501
  749   1HB   GLU 197          HB2       GLU 197  -4.368  14.551   0.545
  750   2HB   GLU 197          HB3       GLU 197  -3.020  15.124   1.519
  751   1HG   GLU 197          HG2       GLU 197  -3.244  17.334   0.561
  752   2HG   GLU 197          HG3       GLU 197  -4.560  16.766  -0.462
  753    H    THR 198           HN       THR 198  -0.537  14.149   0.707
  754    HA   THR 198           HA       THR 198   1.063  16.520   0.066
  755    HB   THR 198           HB       THR 198   2.683  15.464   1.739
  756    HG1  THR 198           HG1      THR 198   1.077  13.436   1.552
  757   1HG2  THR 198          HG21      THR 198   1.426  16.266   3.686
  758   2HG2  THR 198          HG22      THR 198  -0.055  16.268   2.730
  759   3HG2  THR 198          HG23      THR 198   1.261  17.367   2.319
  760    HA   PRO 199           HA       PRO 199   3.180  13.855  -2.793
  761   1HB   PRO 199          HB2       PRO 199   4.708  15.746  -3.913
  762   2HB   PRO 199          HB3       PRO 199   2.947  15.779  -4.055
  763   1HG   PRO 199          HG2       PRO 199   4.731  17.510  -2.473
  764   2HG   PRO 199          HG3       PRO 199   3.085  17.819  -3.045
  765   1HD   PRO 199          HD2       PRO 199   3.954  16.907  -0.436
  766   2HD   PRO 199          HD3       PRO 199   2.316  17.341  -0.968
  767    H    LEU 200           HN       LEU 200   5.160  13.066  -3.463
  768    HA   LEU 200           HA       LEU 200   7.303  12.981  -1.511
  769   1HB   LEU 200          HB2       LEU 200   6.531  10.992  -2.821
  770   2HB   LEU 200          HB3       LEU 200   7.083  11.774  -4.286
  771    HG   LEU 200           HG       LEU 200   8.568   9.962  -3.404
  772   1HD1  LEU 200          HD11      LEU 200  10.664  11.146  -3.762
  773   2HD1  LEU 200          HD12      LEU 200   9.447  11.616  -4.948
  774   3HD1  LEU 200          HD13      LEU 200   9.828  12.689  -3.601
  775   1HD2  LEU 200          HD21      LEU 200   9.080  11.954  -1.214
  776   2HD2  LEU 200          HD22      LEU 200   8.335  10.364  -1.047
  777   3HD2  LEU 200          HD23      LEU 200  10.030  10.500  -1.516
  778    HA   PRO 201           HA       PRO 201   9.091  16.524  -3.696
  779   1HB   PRO 201          HB2       PRO 201  10.842  16.863  -1.436
  780   2HB   PRO 201          HB3       PRO 201   9.470  17.862  -1.915
  781   1HG   PRO 201          HG2       PRO 201   9.530  16.310   0.350
  782   2HG   PRO 201          HG3       PRO 201   8.044  16.804  -0.481
  783   1HD   PRO 201          HD2       PRO 201   9.517  14.200  -0.607
  784   2HD   PRO 201          HD3       PRO 201   7.766  14.505  -0.562
  Start of MODEL   12
    1   1H    GLY 105           H1       GLY 105  21.785 -13.466  -8.389
    2   2H    GLY 105           H2       GLY 105  20.443 -12.431  -8.311
    3   3H    GLY 105           H3       GLY 105  20.803 -13.254  -9.753
    4   1HA   GLY 105          HA2       GLY 105  20.373 -15.379  -8.662
    5   2HA   GLY 105          HA1       GLY 105  19.940 -14.498  -7.205
    6    H    SER 106           HN       SER 106  18.306 -16.304  -8.796
    7    HA   SER 106           HA       SER 106  16.303 -14.529  -9.954
    8   1HB   SER 106          HB2       SER 106  15.172 -16.832 -10.387
    9   2HB   SER 106          HB3       SER 106  16.608 -16.404 -11.318
   10    HG   SER 106           HG       SER 106  16.242 -18.497  -9.693
   11    H    HIS 107           HN       HIS 107  16.713 -16.804  -7.300
   12    HA   HIS 107           HA       HIS 107  14.432 -15.554  -5.954
   13   1HB   HIS 107          HB2       HIS 107  14.931 -18.528  -6.200
   14   2HB   HIS 107          HB3       HIS 107  13.820 -17.822  -5.031
   15    HD2  HIS 107           HD2      HIS 107  11.775 -16.161  -6.417
   16    HE1  HIS 107           HE1      HIS 107  11.887 -18.757  -9.753
   17    HE2  HIS 107           HE2      HIS 107  10.723 -16.758  -8.716
   18    H    MET 108           HN       MET 108  14.478 -16.038  -3.579
   19    HA   MET 108           HA       MET 108  15.506 -15.833  -1.572
   20   1HB   MET 108          HB2       MET 108  16.640 -17.962  -2.067
   21   2HB   MET 108          HB3       MET 108  17.913 -17.088  -2.912
   22   1HG   MET 108          HG2       MET 108  18.524 -15.966  -0.832
   23   2HG   MET 108          HG3       MET 108  17.249 -16.836   0.016
   24   1HE   MET 108          HE1       MET 108  20.684 -17.100  -1.843
   25   2HE   MET 108          HE2       MET 108  20.983 -18.837  -1.817
   26   3HE   MET 108          HE3       MET 108  19.670 -18.184  -2.795
   27    H    GLU 109           HN       GLU 109  17.871 -15.089  -4.136
   28    HA   GLU 109           HA       GLU 109  18.476 -12.561  -2.792
   29   1HB   GLU 109          HB2       GLU 109  19.726 -13.890  -5.208
   30   2HB   GLU 109          HB3       GLU 109  20.217 -12.327  -4.571
   31   1HG   GLU 109          HG2       GLU 109  20.783 -13.420  -2.430
   32   2HG   GLU 109          HG3       GLU 109  20.392 -14.976  -3.160
   33    H    GLU 110           HN       GLU 110  18.272 -10.574  -3.913
   34    HA   GLU 110           HA       GLU 110  17.005  -9.019  -4.947
   35   1HB   GLU 110          HB2       GLU 110  17.228 -11.063  -7.147
   36   2HB   GLU 110          HB3       GLU 110  16.399  -9.532  -7.376
   37   1HG   GLU 110          HG2       GLU 110  18.533  -9.153  -8.204
   38   2HG   GLU 110          HG3       GLU 110  18.566  -8.438  -6.594
   39    H    LYS 111           HN       LYS 111  15.524 -10.500  -3.186
   40    HA   LYS 111           HA       LYS 111  12.991 -11.218  -4.134
   41   1HB   LYS 111          HB2       LYS 111  13.671  -9.670  -1.614
   42   2HB   LYS 111          HB3       LYS 111  12.146 -10.490  -1.925
   43   1HG   LYS 111          HG2       LYS 111  13.278 -12.638  -1.942
   44   2HG   LYS 111          HG3       LYS 111  14.833 -11.838  -1.712
   45   1HD   LYS 111          HD2       LYS 111  14.145 -12.652   0.416
   46   2HD   LYS 111          HD3       LYS 111  13.928 -10.902   0.436
   47   1HE   LYS 111          HE2       LYS 111  12.015 -11.945   1.465
   48   2HE   LYS 111          HE3       LYS 111  11.526 -11.240  -0.076
   49   1HZ   LYS 111          HZ1       LYS 111  12.302 -14.086   0.125
   50   2HZ   LYS 111          HZ2       LYS 111  11.356 -13.327  -1.063
   51   3HZ   LYS 111          HZ3       LYS 111  10.725 -13.586   0.487
   52    H    HIS 112           HN       HIS 112  11.418 -10.040  -5.088
   53    HA   HIS 112           HA       HIS 112  12.163  -7.706  -6.383
   54   1HB   HIS 112          HB2       HIS 112   9.442  -8.941  -6.001
   55   2HB   HIS 112          HB3       HIS 112   9.740  -7.564  -7.059
   56    HD2  HIS 112           HD2      HIS 112  12.121  -8.331  -8.848
   57    HE1  HIS 112           HE1      HIS 112  10.352 -12.147  -9.289
   58    HE2  HIS 112           HE2      HIS 112  11.951 -10.460 -10.313
   59    H    MET 113           HN       MET 113  12.889  -6.295  -4.811
   60    HA   MET 113           HA       MET 113  10.833  -4.381  -4.005
   61   1HB   MET 113          HB2       MET 113  13.115  -5.011  -2.130
   62   2HB   MET 113          HB3       MET 113  11.631  -4.138  -1.785
   63   1HG   MET 113          HG2       MET 113  10.366  -6.224  -1.939
   64   2HG   MET 113          HG3       MET 113  11.860  -7.096  -2.297
   65   1HE   MET 113          HE1       MET 113   9.758  -7.804   0.080
   66   2HE   MET 113          HE2       MET 113  11.182  -8.770  -0.307
   67   3HE   MET 113          HE3       MET 113  10.898  -8.247   1.351
   68    HA   PRO 114           HA       PRO 114  14.926  -3.486  -6.272
   69   1HB   PRO 114          HB2       PRO 114  13.224  -2.023  -8.193
   70   2HB   PRO 114          HB3       PRO 114  14.476  -3.234  -8.485
   71   1HG   PRO 114          HG2       PRO 114  11.899  -3.840  -8.777
   72   2HG   PRO 114          HG3       PRO 114  13.037  -5.008  -8.078
   73   1HD   PRO 114          HD2       PRO 114  11.058  -3.230  -6.689
   74   2HD   PRO 114          HD3       PRO 114  11.435  -4.940  -6.391
   75    HA   PRO 115           HA       PRO 115  14.592   1.153  -6.505
   76   1HB   PRO 115          HB2       PRO 115  12.008   2.290  -6.120
   77   2HB   PRO 115          HB3       PRO 115  12.894   2.105  -7.634
   78   1HG   PRO 115          HG2       PRO 115  10.549   0.774  -6.995
   79   2HG   PRO 115          HG3       PRO 115  11.710   0.258  -8.230
   80   1HD   PRO 115          HD2       PRO 115  11.380  -0.702  -5.415
   81   2HD   PRO 115          HD3       PRO 115  11.745  -1.628  -6.889
   82    HA   PRO 116           HA       PRO 116  14.468   2.168  -2.085
   83   1HB   PRO 116          HB2       PRO 116  16.935   3.581  -2.540
   84   2HB   PRO 116          HB3       PRO 116  16.690   2.089  -1.631
   85   1HG   PRO 116          HG2       PRO 116  18.080   2.249  -3.998
   86   2HG   PRO 116          HG3       PRO 116  17.305   0.777  -3.391
   87   1HD   PRO 116          HD2       PRO 116  16.337   2.711  -5.457
   88   2HD   PRO 116          HD3       PRO 116  16.223   0.937  -5.429
   89    H    ASN 117           HN       ASN 117  12.840   3.673  -2.125
   90    HA   ASN 117           HA       ASN 117  13.297   6.140  -3.661
   91   1HB   ASN 117          HB2       ASN 117  10.717   4.783  -2.831
   92   2HB   ASN 117          HB3       ASN 117  10.801   6.346  -3.636
   93   1HD2  ASN 117          HD21      ASN 117   9.639   3.735  -4.425
   94   2HD2  ASN 117          HD22      ASN 117  10.319   3.400  -5.980
   95    H    MET 118           HN       MET 118  11.436   7.740  -2.729
   96    HA   MET 118           HA       MET 118  10.903   9.284  -1.228
   97   1HB   MET 118          HB2       MET 118   9.847   8.554   0.803
   98   2HB   MET 118          HB3       MET 118   9.388   7.528  -0.538
   99   1HG   MET 118          HG2       MET 118  11.548   6.696   1.364
  100   2HG   MET 118          HG3       MET 118   9.841   6.494   1.760
  101   1HE   MET 118          HE1       MET 118  11.979   4.115   1.676
  102   2HE   MET 118          HE2       MET 118  10.285   3.897   2.117
  103   3HE   MET 118          HE3       MET 118  11.021   2.856   0.899
  104    H    THR 119           HN       THR 119  12.734  10.486  -1.078
  105    HA   THR 119           HA       THR 119  14.521  10.217   1.134
  106    HB   THR 119           HB       THR 119  13.744  12.743  -0.347
  107    HG1  THR 119           HG1      THR 119  15.523  10.622  -0.962
  108   1HG2  THR 119          HG21      THR 119  15.961  13.532   0.314
  109   2HG2  THR 119          HG22      THR 119  16.251  12.025   1.184
  110   3HG2  THR 119          HG23      THR 119  14.992  13.132   1.732
  111    H    THR 120           HN       THR 120  11.349  11.498   0.600
  112    HA   THR 120           HA       THR 120  11.133  12.212   3.451
  113    HB   THR 120           HB       THR 120   9.340  13.126   1.183
  114    HG1  THR 120           HG1      THR 120  11.580  14.361   2.455
  115   1HG2  THR 120          HG21      THR 120   8.229  13.100   3.352
  116   2HG2  THR 120          HG22      THR 120   8.527  14.761   2.842
  117   3HG2  THR 120          HG23      THR 120   9.556  14.015   4.065
  118    H    ASN 121           HN       ASN 121  10.021  10.743   4.609
  119    HA   ASN 121           HA       ASN 121   8.103   9.042   3.173
  120   1HB   ASN 121          HB2       ASN 121   8.635   7.269   4.871
  121   2HB   ASN 121          HB3       ASN 121   9.956   7.672   3.786
  122   1HD2  ASN 121          HD21      ASN 121   8.906   9.472   6.679
  123   2HD2  ASN 121          HD22      ASN 121  10.386   9.245   7.553
  124    H    GLU 122           HN       GLU 122   6.347   8.180   4.436
  125    HA   GLU 122           HA       GLU 122   4.899  10.077   5.861
  126   1HB   GLU 122          HB2       GLU 122   3.968   8.133   4.629
  127   2HB   GLU 122          HB3       GLU 122   4.564   7.081   5.904
  128   1HG   GLU 122          HG2       GLU 122   2.146   7.643   6.043
  129   2HG   GLU 122          HG3       GLU 122   3.079   8.020   7.491
  130    H    ARG 123           HN       ARG 123   4.236  10.073   8.081
  131    HA   ARG 123           HA       ARG 123   6.526   9.882   9.808
  132   1HB   ARG 123          HB2       ARG 123   3.697  10.500  10.654
  133   2HB   ARG 123          HB3       ARG 123   5.188  11.006  11.431
  134   1HG   ARG 123          HG2       ARG 123   4.172  11.959   8.762
  135   2HG   ARG 123          HG3       ARG 123   4.119  12.854  10.280
  136   1HD   ARG 123          HD2       ARG 123   6.542  12.886  10.371
  137   2HD   ARG 123          HD3       ARG 123   6.627  11.925   8.894
  138    HE   ARG 123           HE       ARG 123   5.219  14.009   8.040
  139   1HH1  ARG 123          HH12      ARG 123   8.129  13.893   9.997
  140   2HH1  ARG 123          HH11      ARG 123   8.697  15.440   9.447
  141   1HH2  ARG 123          HH22      ARG 123   5.971  16.026   7.326
  142   2HH2  ARG 123          HH21      ARG 123   7.481  16.650   7.924
  143    H    ARG 124           HN       ARG 124   4.131   7.717   8.930
  144    HA   ARG 124           HA       ARG 124   4.206   6.310  11.514
  145   1HB   ARG 124          HB2       ARG 124   2.220   5.843   9.284
  146   2HB   ARG 124          HB3       ARG 124   2.113   5.296  10.953
  147   1HG   ARG 124          HG2       ARG 124   0.656   7.065  10.961
  148   2HG   ARG 124          HG3       ARG 124   2.147   7.849  11.485
  149   1HD   ARG 124          HD2       ARG 124   2.561   8.490   9.116
  150   2HD   ARG 124          HD3       ARG 124   0.962   7.855   8.719
  151    HE   ARG 124           HE       ARG 124   1.223   9.957  10.764
  152   1HH1  ARG 124          HH12      ARG 124   0.112   8.947   7.590
  153   2HH1  ARG 124          HH11      ARG 124  -0.932  10.310   7.383
  154   1HH2  ARG 124          HH22      ARG 124  -0.167  11.750  10.484
  155   2HH2  ARG 124          HH21      ARG 124  -1.072  11.916   9.012
  156    H    VAL 125           HN       VAL 125   3.664   5.349   8.141
  157    HA   VAL 125           HA       VAL 125   5.649   3.230   8.461
  158    HB   VAL 125           HB       VAL 125   4.777   2.856   5.929
  159   1HG1  VAL 125          HG11      VAL 125   3.365   1.927   8.437
  160   2HG1  VAL 125          HG12      VAL 125   3.270   1.151   6.856
  161   3HG1  VAL 125          HG13      VAL 125   4.803   1.193   7.727
  162   1HG2  VAL 125          HG21      VAL 125   2.395   3.986   7.392
  163   2HG2  VAL 125          HG22      VAL 125   3.205   4.730   6.012
  164   3HG2  VAL 125          HG23      VAL 125   2.374   3.184   5.821
  165    H    ILE 126           HN       ILE 126   7.594   3.329   7.471
  166    HA   ILE 126           HA       ILE 126   8.457   5.783   6.341
  167    HB   ILE 126           HB       ILE 126   9.815   3.086   6.550
  168   1HG1  ILE 126          HG12      ILE 126  11.251   4.309   8.191
  169   2HG1  ILE 126          HG13      ILE 126  10.219   5.717   8.000
  170   1HG2  ILE 126          HG21      ILE 126  11.903   4.177   5.883
  171   2HG2  ILE 126          HG22      ILE 126  10.710   4.234   4.587
  172   3HG2  ILE 126          HG23      ILE 126  11.022   5.670   5.562
  173   1HD1  ILE 126          HD11      ILE 126   8.341   4.476   8.929
  174   2HD1  ILE 126          HD12      ILE 126   9.361   3.044   9.088
  175   3HD1  ILE 126          HD13      ILE 126   9.713   4.488  10.038
  176    H    VAL 127           HN       VAL 127   6.716   5.838   4.794
  177    HA   VAL 127           HA       VAL 127   7.576   4.818   2.183
  178    HB   VAL 127           HB       VAL 127   5.242   4.275   1.582
  179   1HG1  VAL 127          HG11      VAL 127   6.097   2.793   4.063
  180   2HG1  VAL 127          HG12      VAL 127   5.034   2.195   2.789
  181   3HG1  VAL 127          HG13      VAL 127   6.736   2.508   2.445
  182   1HG2  VAL 127          HG21      VAL 127   4.630   4.780   4.491
  183   2HG2  VAL 127          HG22      VAL 127   4.090   5.763   3.131
  184   3HG2  VAL 127          HG23      VAL 127   3.514   4.105   3.305
  185    HA   PRO 128           HA       PRO 128   7.057   9.084   1.057
  186   1HB   PRO 128          HB2       PRO 128   6.130   8.682  -1.532
  187   2HB   PRO 128          HB3       PRO 128   7.828   8.747  -1.055
  188   1HG   PRO 128          HG2       PRO 128   6.070   6.369  -1.506
  189   2HG   PRO 128          HG3       PRO 128   7.773   6.603  -1.945
  190   1HD   PRO 128          HD2       PRO 128   7.126   5.129   0.173
  191   2HD   PRO 128          HD3       PRO 128   8.511   6.228   0.233
  192    H    ALA 129           HN       ALA 129   5.449  10.430   1.505
  193    HA   ALA 129           HA       ALA 129   2.796   9.809   1.868
  194   1HB   ALA 129          HB1       ALA 129   2.342  12.188   1.815
  195   2HB   ALA 129          HB2       ALA 129   3.855  11.867   2.662
  196   3HB   ALA 129          HB3       ALA 129   3.882  12.483   1.009
  197    H    ASP 130           HN       ASP 130   4.421  10.525  -1.140
  198    HA   ASP 130           HA       ASP 130   1.986  10.174  -2.722
  199   1HB   ASP 130          HB2       ASP 130   4.405  11.284  -3.299
  200   2HB   ASP 130          HB3       ASP 130   4.602   9.666  -3.930
  201    HA   PRO 131           HA       PRO 131   2.358   5.830  -1.999
  202   1HB   PRO 131          HB2       PRO 131  -0.290   5.737  -3.157
  203   2HB   PRO 131          HB3       PRO 131   0.213   5.382  -1.505
  204   1HG   PRO 131          HG2       PRO 131  -1.298   7.544  -2.207
  205   2HG   PRO 131          HG3       PRO 131  -0.249   7.498  -0.786
  206   1HD   PRO 131          HD2       PRO 131   0.207   8.768  -3.431
  207   2HD   PRO 131          HD3       PRO 131   0.687   9.317  -1.814
  208    H    THR 132           HN       THR 132   3.238   7.313  -4.485
  209    HA   THR 132           HA       THR 132   2.590   5.375  -6.514
  210    HB   THR 132           HB       THR 132   4.233   6.870  -7.829
  211    HG1  THR 132           HG1      THR 132   3.623   8.964  -6.140
  212   1HG2  THR 132          HG21      THR 132   2.509   8.510  -8.299
  213   2HG2  THR 132          HG22      THR 132   1.679   8.101  -6.797
  214   3HG2  THR 132          HG23      THR 132   1.779   6.914  -8.105
  215    H    LEU 133           HN       LEU 133   5.229   6.434  -4.496
  216    HA   LEU 133           HA       LEU 133   7.122   4.619  -5.781
  217   1HB   LEU 133          HB2       LEU 133   7.726   6.416  -3.460
  218   2HB   LEU 133          HB3       LEU 133   8.792   5.901  -4.754
  219    HG   LEU 133           HG       LEU 133   6.554   7.907  -5.095
  220   1HD1  LEU 133          HD11      LEU 133   9.515   8.366  -4.767
  221   2HD1  LEU 133          HD12      LEU 133   8.287   9.598  -5.056
  222   3HD1  LEU 133          HD13      LEU 133   8.287   8.689  -3.543
  223   1HD2  LEU 133          HD21      LEU 133   7.196   6.725  -7.149
  224   2HD2  LEU 133          HD22      LEU 133   7.688   8.418  -7.198
  225   3HD2  LEU 133          HD23      LEU 133   8.882   7.163  -6.873
  226    H    TRP 134           HN       TRP 134   4.926   4.354  -3.245
  227    HA   TRP 134           HA       TRP 134   6.312   2.850  -1.439
  228   1HB   TRP 134          HB2       TRP 134   3.562   2.353  -2.597
  229   2HB   TRP 134          HB3       TRP 134   4.195   1.538  -1.176
  230    HD1  TRP 134           HD1      TRP 134   5.480   4.730  -0.505
  231    HE1  TRP 134           HE1      TRP 134   3.896   6.210   0.876
  232    HE3  TRP 134           HE3      TRP 134   1.150   2.138  -1.279
  233    HZ2  TRP 134           HZ2      TRP 134   1.149   6.250   1.538
  234    HZ3  TRP 134           HZ3      TRP 134  -0.926   2.971  -0.252
  235    HH2  TRP 134           HH2      TRP 134  -0.921   4.980   1.139
  236    H    SER 135           HN       SER 135   7.711   1.192  -1.881
  237    HA   SER 135           HA       SER 135   7.739  -0.119  -4.360
  238   1HB   SER 135          HB2       SER 135   8.961  -1.031  -1.746
  239   2HB   SER 135          HB3       SER 135   9.378  -1.640  -3.349
  240    HG   SER 135           HG       SER 135  10.808   0.004  -2.552
  241    H    THR 136           HN       THR 136   7.293  -2.225  -4.836
  242    HA   THR 136           HA       THR 136   5.001  -3.529  -4.427
  243    HB   THR 136           HB       THR 136   6.458  -5.765  -4.300
  244    HG1  THR 136           HG1      THR 136   8.555  -5.436  -4.539
  245   1HG2  THR 136          HG21      THR 136   6.411  -3.904  -6.682
  246   2HG2  THR 136          HG22      THR 136   5.139  -5.039  -6.228
  247   3HG2  THR 136          HG23      THR 136   6.717  -5.640  -6.738
  248    H    ASP 137           HN       ASP 137   7.668  -3.645  -2.099
  249    HA   ASP 137           HA       ASP 137   6.198  -5.378  -0.289
  250   1HB   ASP 137          HB2       ASP 137   8.153  -5.357   1.112
  251   2HB   ASP 137          HB3       ASP 137   8.688  -5.570  -0.554
  252    H    HIS 138           HN       HIS 138   7.076  -1.881  -0.532
  253    HA   HIS 138           HA       HIS 138   6.139  -1.224   2.030
  254   1HB   HIS 138          HB2       HIS 138   6.650   0.371  -0.469
  255   2HB   HIS 138          HB3       HIS 138   6.120   1.106   1.037
  256    HD2  HIS 138           HD2      HIS 138   7.987   0.877   3.175
  257    HE1  HIS 138           HE1      HIS 138  11.219   0.077   0.569
  258    HE2  HIS 138           HE2      HIS 138  10.544   0.468   2.975
  259    H    VAL 139           HN       VAL 139   4.341  -2.197  -0.677
  260    HA   VAL 139           HA       VAL 139   2.221  -0.250  -0.189
  261    HB   VAL 139           HB       VAL 139   2.756  -2.198  -2.404
  262   1HG1  VAL 139          HG11      VAL 139   0.400  -2.150  -3.138
  263   2HG1  VAL 139          HG12      VAL 139   0.589  -2.999  -1.604
  264   3HG1  VAL 139          HG13      VAL 139  -0.043  -1.353  -1.628
  265   1HG2  VAL 139          HG21      VAL 139   3.159   0.222  -2.622
  266   2HG2  VAL 139          HG22      VAL 139   1.961  -0.374  -3.775
  267   3HG2  VAL 139          HG23      VAL 139   1.439   0.505  -2.337
  268    H    ARG 140           HN       ARG 140   3.211  -3.542   0.012
  269    HA   ARG 140           HA       ARG 140   0.839  -4.560   1.218
  270   1HB   ARG 140          HB2       ARG 140   2.602  -5.906   0.013
  271   2HB   ARG 140          HB3       ARG 140   3.644  -5.660   1.410
  272   1HG   ARG 140          HG2       ARG 140   0.964  -6.704   1.948
  273   2HG   ARG 140          HG3       ARG 140   2.054  -7.785   1.101
  274   1HD   ARG 140          HD2       ARG 140   2.478  -6.468   3.777
  275   2HD   ARG 140          HD3       ARG 140   2.251  -8.187   3.464
  276    HE   ARG 140           HE       ARG 140   4.462  -7.591   2.024
  277   1HH1  ARG 140          HH12      ARG 140   3.548  -7.192   5.378
  278   2HH1  ARG 140          HH11      ARG 140   5.193  -7.158   5.953
  279   1HH2  ARG 140          HH22      ARG 140   6.613  -7.579   2.764
  280   2HH2  ARG 140          HH21      ARG 140   6.942  -7.379   4.461
  281    H    GLN 141           HN       GLN 141   3.551  -2.736   2.264
  282    HA   GLN 141           HA       GLN 141   3.585  -3.493   4.975
  283   1HB   GLN 141          HB2       GLN 141   5.537  -2.451   4.148
  284   2HB   GLN 141          HB3       GLN 141   4.630  -1.108   3.469
  285   1HG   GLN 141          HG2       GLN 141   4.239  -0.177   5.617
  286   2HG   GLN 141          HG3       GLN 141   4.874  -1.623   6.419
  287   1HE2  GLN 141          HE21      GLN 141   7.079  -1.874   4.465
  288   2HE2  GLN 141          HE22      GLN 141   8.216  -0.645   4.903
  289    H    TRP 142           HN       TRP 142   2.495  -0.336   3.637
  290    HA   TRP 142           HA       TRP 142   0.961   0.438   5.759
  291   1HB   TRP 142          HB2       TRP 142   1.463   1.809   3.753
  292   2HB   TRP 142          HB3       TRP 142   0.331   0.843   2.829
  293    HD1  TRP 142           HD1      TRP 142   0.365   3.374   5.733
  294    HE1  TRP 142           HE1      TRP 142  -1.978   4.430   5.902
  295    HE3  TRP 142           HE3      TRP 142  -2.051   0.595   2.174
  296    HZ2  TRP 142           HZ2      TRP 142  -4.485   4.140   4.686
  297    HZ3  TRP 142           HZ3      TRP 142  -4.429   1.065   1.735
  298    HH2  TRP 142           HH2      TRP 142  -5.612   2.812   2.977
  299    H    LEU 143           HN       LEU 143  -0.233  -1.080   2.886
  300    HA   LEU 143           HA       LEU 143  -2.765  -1.595   3.421
  301   1HB   LEU 143          HB2       LEU 143  -1.501  -2.319   1.417
  302   2HB   LEU 143          HB3       LEU 143  -0.917  -3.699   2.311
  303    HG   LEU 143           HG       LEU 143  -3.500  -4.189   2.559
  304   1HD1  LEU 143          HD11      LEU 143  -4.302  -2.202   1.477
  305   2HD1  LEU 143          HD12      LEU 143  -3.281  -2.512   0.067
  306   3HD1  LEU 143          HD13      LEU 143  -4.635  -3.587   0.435
  307   1HD2  LEU 143          HD21      LEU 143  -1.754  -5.582   1.523
  308   2HD2  LEU 143          HD22      LEU 143  -3.300  -5.658   0.673
  309   3HD2  LEU 143          HD23      LEU 143  -1.979  -4.692   0.018
  310    H    GLU 144           HN       GLU 144  -0.166  -3.366   4.859
  311    HA   GLU 144           HA       GLU 144  -1.938  -5.155   6.374
  312   1HB   GLU 144          HB2       GLU 144   1.012  -4.877   6.221
  313   2HB   GLU 144          HB3       GLU 144   0.358  -5.482   7.737
  314   1HG   GLU 144          HG2       GLU 144  -0.951  -7.122   6.242
  315   2HG   GLU 144          HG3       GLU 144   0.234  -6.684   5.017
  316    H    TRP 145           HN       TRP 145   0.308  -2.558   7.175
  317    HA   TRP 145           HA       TRP 145  -0.460  -2.133   9.829
  318   1HB   TRP 145          HB2       TRP 145   1.411  -0.937   9.521
  319   2HB   TRP 145          HB3       TRP 145   1.140  -0.815   7.794
  320    HD1  TRP 145           HD1      TRP 145   0.656   1.511   6.896
  321    HE1  TRP 145           HE1      TRP 145   0.119   3.792   7.902
  322    HE3  TRP 145           HE3      TRP 145   0.037   0.106  11.745
  323    HZ2  TRP 145           HZ2      TRP 145  -0.520   4.876  10.428
  324    HZ3  TRP 145           HZ3      TRP 145  -0.546   1.826  13.409
  325    HH2  TRP 145           HH2      TRP 145  -0.820   4.166  12.761
  326    H    ALA 146           HN       ALA 146  -2.346  -1.760   7.140
  327    HA   ALA 146           HA       ALA 146  -3.825   0.565   8.119
  328   1HB   ALA 146          HB1       ALA 146  -5.076   0.443   6.018
  329   2HB   ALA 146          HB2       ALA 146  -3.337   0.488   5.721
  330   3HB   ALA 146          HB3       ALA 146  -4.217  -1.035   5.587
  331    H    VAL 147           HN       VAL 147  -4.307  -2.959   7.478
  332    HA   VAL 147           HA       VAL 147  -6.771  -3.122   8.672
  333    HB   VAL 147           HB       VAL 147  -4.529  -5.126   8.960
  334   1HG1  VAL 147          HG11      VAL 147  -6.459  -5.599  10.375
  335   2HG1  VAL 147          HG12      VAL 147  -7.527  -5.456   8.978
  336   3HG1  VAL 147          HG13      VAL 147  -6.349  -6.766   9.056
  337   1HG2  VAL 147          HG21      VAL 147  -4.749  -4.507   6.642
  338   2HG2  VAL 147          HG22      VAL 147  -5.457  -6.106   6.876
  339   3HG2  VAL 147          HG23      VAL 147  -6.502  -4.691   6.718
  340    H    LYS 148           HN       LYS 148  -3.740  -2.384  10.197
  341    HA   LYS 148           HA       LYS 148  -4.788  -2.936  12.903
  342   1HB   LYS 148          HB2       LYS 148  -2.264  -1.396  12.463
  343   2HB   LYS 148          HB3       LYS 148  -2.626  -2.612  13.678
  344   1HG   LYS 148          HG2       LYS 148  -2.091  -3.194  10.772
  345   2HG   LYS 148          HG3       LYS 148  -0.893  -3.297  12.059
  346   1HD   LYS 148          HD2       LYS 148  -2.231  -5.022  13.167
  347   2HD   LYS 148          HD3       LYS 148  -3.431  -4.917  11.875
  348   1HE   LYS 148          HE2       LYS 148  -1.782  -5.639  10.252
  349   2HE   LYS 148          HE3       LYS 148  -0.535  -5.667  11.498
  350   1HZ   LYS 148          HZ1       LYS 148  -2.965  -7.382  11.440
  351   2HZ   LYS 148          HZ2       LYS 148  -1.760  -7.413  12.631
  352   3HZ   LYS 148          HZ3       LYS 148  -1.393  -7.880  11.042
  353    H    GLU 149           HN       GLU 149  -4.551  -0.774  10.601
  354    HA   GLU 149           HA       GLU 149  -4.490   1.690  12.147
  355   1HB   GLU 149          HB2       GLU 149  -3.317   1.751   9.999
  356   2HB   GLU 149          HB3       GLU 149  -4.846   1.532   9.151
  357   1HG   GLU 149          HG2       GLU 149  -5.587   3.651   9.652
  358   2HG   GLU 149          HG3       GLU 149  -4.568   3.778  11.081
  359    H    TYR 150           HN       TYR 150  -6.928   0.198   9.969
  360    HA   TYR 150           HA       TYR 150  -8.861   1.990  11.242
  361   1HB   TYR 150          HB2       TYR 150  -8.971   0.716   8.505
  362   2HB   TYR 150          HB3       TYR 150 -10.144   1.823   9.185
  363    HD1  TYR 150           HD1      TYR 150  -9.513   4.200   9.614
  364    HD2  TYR 150           HD2      TYR 150  -7.002   1.499   7.489
  365    HE1  TYR 150           HE1      TYR 150  -8.280   6.104   8.661
  366    HE2  TYR 150           HE2      TYR 150  -5.757   3.387   6.541
  367    HH   TYR 150           HH       TYR 150  -6.340   6.679   7.561
  368    H    GLY 151           HN       GLY 151  -7.932  -1.108  11.532
  369   1HA   GLY 151          HA1       GLY 151  -8.988  -2.878  12.537
  370   2HA   GLY 151          HA2       GLY 151 -10.385  -1.836  12.760
  371    H    LEU 152           HN       LEU 152  -8.715  -3.113   9.917
  372    HA   LEU 152           HA       LEU 152 -11.168  -3.584   8.517
  373   1HB   LEU 152          HB2       LEU 152  -8.341  -4.437   7.890
  374   2HB   LEU 152          HB3       LEU 152  -9.697  -4.480   6.773
  375    HG   LEU 152           HG       LEU 152  -8.670  -1.951   8.043
  376   1HD1  LEU 152          HD11      LEU 152  -8.119  -2.921   5.254
  377   2HD1  LEU 152          HD12      LEU 152  -7.551  -1.423   5.997
  378   3HD1  LEU 152          HD13      LEU 152  -6.960  -2.981   6.582
  379   1HD2  LEU 152          HD21      LEU 152 -10.966  -1.822   7.342
  380   2HD2  LEU 152          HD22      LEU 152  -9.950  -0.862   6.267
  381   3HD2  LEU 152          HD23      LEU 152 -10.537  -2.443   5.747
  382    HA   PRO 153           HA       PRO 153 -12.034  -7.334  10.737
  383   1HB   PRO 153          HB2       PRO 153 -14.075  -8.144   9.058
  384   2HB   PRO 153          HB3       PRO 153 -14.258  -7.009  10.400
  385   1HG   PRO 153          HG2       PRO 153 -13.935  -6.461   7.484
  386   2HG   PRO 153          HG3       PRO 153 -14.973  -5.653   8.672
  387   1HD   PRO 153          HD2       PRO 153 -12.673  -4.548   7.840
  388   2HD   PRO 153          HD3       PRO 153 -13.229  -4.381   9.518
  389    H    ASP 154           HN       ASP 154 -11.911  -7.439   7.184
  390    HA   ASP 154           HA       ASP 154  -9.969  -9.537   7.285
  391   1HB   ASP 154          HB2       ASP 154 -11.999 -10.898   7.529
  392   2HB   ASP 154          HB3       ASP 154 -12.668 -10.166   6.069
  393    H    VAL 155           HN       VAL 155  -8.821  -7.900   6.207
  394    HA   VAL 155           HA       VAL 155  -9.527  -7.653   3.366
  395    HB   VAL 155           HB       VAL 155  -7.435  -6.193   5.005
  396   1HG1  VAL 155          HG11      VAL 155  -7.079  -4.818   3.006
  397   2HG1  VAL 155          HG12      VAL 155  -6.645  -6.505   2.722
  398   3HG1  VAL 155          HG13      VAL 155  -8.166  -5.867   2.096
  399   1HG2  VAL 155          HG21      VAL 155 -10.003  -5.247   3.742
  400   2HG2  VAL 155          HG22      VAL 155  -9.710  -5.479   5.465
  401   3HG2  VAL 155          HG23      VAL 155  -8.833  -4.229   4.581
  402    H    ASN 156           HN       ASN 156  -8.259  -8.675   1.830
  403    HA   ASN 156           HA       ASN 156  -6.493 -10.707   2.996
  404   1HB   ASN 156          HB2       ASN 156  -8.527 -11.144   1.327
  405   2HB   ASN 156          HB3       ASN 156  -7.280 -10.822   0.123
  406   1HD2  ASN 156          HD21      ASN 156  -6.746 -12.264   3.264
  407   2HD2  ASN 156          HD22      ASN 156  -6.254 -13.811   2.672
  408    H    ILE 157           HN       ILE 157  -4.424 -10.117   3.042
  409    HA   ILE 157           HA       ILE 157  -3.780  -7.836   1.440
  410    HB   ILE 157           HB       ILE 157  -2.049  -9.243   3.493
  411   1HG1  ILE 157          HG12      ILE 157  -4.095  -8.423   4.514
  412   2HG1  ILE 157          HG13      ILE 157  -2.714  -7.485   5.066
  413   1HG2  ILE 157          HG21      ILE 157  -0.911  -7.752   1.797
  414   2HG2  ILE 157          HG22      ILE 157  -1.707  -6.411   2.617
  415   3HG2  ILE 157          HG23      ILE 157  -0.585  -7.446   3.496
  416   1HD1  ILE 157          HD11      ILE 157  -4.661  -6.083   4.618
  417   2HD1  ILE 157          HD12      ILE 157  -3.307  -5.684   3.557
  418   3HD1  ILE 157          HD13      ILE 157  -4.663  -6.629   2.941
  419    H    LEU 158           HN       LEU 158  -2.831 -11.196   1.553
  420    HA   LEU 158           HA       LEU 158  -0.434 -10.970   0.117
  421   1HB   LEU 158          HB2       LEU 158  -0.845 -13.427  -0.387
  422   2HB   LEU 158          HB3       LEU 158  -0.676 -12.948   1.288
  423    HG   LEU 158           HG       LEU 158  -3.416 -13.210   0.109
  424   1HD1  LEU 158          HD11      LEU 158  -1.701 -15.477   1.126
  425   2HD1  LEU 158          HD12      LEU 158  -3.433 -15.575   0.804
  426   3HD1  LEU 158          HD13      LEU 158  -2.307 -15.276  -0.518
  427   1HD2  LEU 158          HD21      LEU 158  -3.273 -12.269   2.314
  428   2HD2  LEU 158          HD22      LEU 158  -3.897 -13.913   2.455
  429   3HD2  LEU 158          HD23      LEU 158  -2.210 -13.569   2.850
  430    H    LEU 159           HN       LEU 159  -3.215  -9.915  -1.115
  431    HA   LEU 159           HA       LEU 159  -2.846 -11.134  -3.756
  432   1HB   LEU 159          HB2       LEU 159  -5.093  -9.540  -2.531
  433   2HB   LEU 159          HB3       LEU 159  -4.952  -9.723  -4.267
  434    HG   LEU 159           HG       LEU 159  -5.209 -12.144  -4.066
  435   1HD1  LEU 159          HD11      LEU 159  -4.156 -12.489  -1.913
  436   2HD1  LEU 159          HD12      LEU 159  -5.469 -11.624  -1.112
  437   3HD1  LEU 159          HD13      LEU 159  -5.787 -13.161  -1.917
  438   1HD2  LEU 159          HD21      LEU 159  -7.531 -12.199  -3.325
  439   2HD2  LEU 159          HD22      LEU 159  -7.328 -10.633  -2.541
  440   3HD2  LEU 159          HD23      LEU 159  -7.214 -10.763  -4.297
  441    H    PHE 160           HN       PHE 160  -2.261  -8.324  -1.885
  442    HA   PHE 160           HA       PHE 160  -1.939  -6.663  -4.241
  443   1HB   PHE 160          HB2       PHE 160  -1.779  -5.985  -1.306
  444   2HB   PHE 160          HB3       PHE 160  -1.542  -4.815  -2.596
  445    HD1  PHE 160           HD1      PHE 160  -3.999  -7.067  -1.017
  446    HD2  PHE 160           HD2      PHE 160  -3.373  -3.855  -3.736
  447    HE1  PHE 160           HE1      PHE 160  -6.421  -6.656  -1.076
  448    HE2  PHE 160           HE2      PHE 160  -5.798  -3.436  -3.799
  449    HZ   PHE 160           HZ       PHE 160  -7.324  -4.837  -2.468
  450    H    GLN 161           HN       GLN 161  -0.117  -8.640  -2.299
  451    HA   GLN 161           HA       GLN 161   2.269  -7.563  -1.633
  452   1HB   GLN 161          HB2       GLN 161   2.065 -10.248  -2.967
  453   2HB   GLN 161          HB3       GLN 161   3.306  -9.714  -1.845
  454   1HG   GLN 161          HG2       GLN 161   1.464  -9.435  -0.145
  455   2HG   GLN 161          HG3       GLN 161   0.421 -10.294  -1.279
  456   1HE2  GLN 161          HE21      GLN 161   2.902 -10.555   1.058
  457   2HE2  GLN 161          HE22      GLN 161   3.061 -12.273   1.028
  458    H    ASN 162           HN       ASN 162   1.314  -8.244  -4.931
  459    HA   ASN 162           HA       ASN 162   4.066  -7.776  -5.853
  460   1HB   ASN 162          HB2       ASN 162   1.722  -8.900  -7.406
  461   2HB   ASN 162          HB3       ASN 162   3.388  -8.794  -7.966
  462   1HD2  ASN 162          HD21      ASN 162   1.129 -10.507  -6.014
  463   2HD2  ASN 162          HD22      ASN 162   2.171 -11.817  -5.569
  464    H    ILE 163           HN       ILE 163   1.459  -6.040  -5.210
  465    HA   ILE 163           HA       ILE 163   1.583  -4.314  -7.572
  466    HB   ILE 163           HB       ILE 163  -0.232  -4.199  -5.139
  467   1HG1  ILE 163          HG12      ILE 163  -0.897  -5.065  -7.960
  468   2HG1  ILE 163          HG13      ILE 163  -0.638  -6.162  -6.604
  469   1HG2  ILE 163          HG21      ILE 163  -0.464  -2.648  -7.704
  470   2HG2  ILE 163          HG22      ILE 163  -1.521  -2.535  -6.301
  471   3HG2  ILE 163          HG23      ILE 163   0.157  -2.001  -6.186
  472   1HD1  ILE 163          HD11      ILE 163  -2.821  -4.105  -6.850
  473   2HD1  ILE 163          HD12      ILE 163  -2.997  -5.856  -6.975
  474   3HD1  ILE 163          HD13      ILE 163  -2.539  -5.123  -5.437
  475    H    ASP 164           HN       ASP 164   2.819  -2.624  -7.614
  476    HA   ASP 164           HA       ASP 164   4.000  -1.655  -5.137
  477   1HB   ASP 164          HB2       ASP 164   5.249  -0.169  -6.953
  478   2HB   ASP 164          HB3       ASP 164   5.739  -1.826  -6.622
  479    H    GLY 165           HN       GLY 165   4.415   0.903  -5.348
  480   1HA   GLY 165          HA1       GLY 165   1.909   2.005  -4.724
  481   2HA   GLY 165          HA2       GLY 165   3.393   2.914  -4.947
  482    H    LYS 166           HN       LYS 166   3.733   1.975  -7.698
  483    HA   LYS 166           HA       LYS 166   2.341   4.128  -8.944
  484   1HB   LYS 166          HB2       LYS 166   3.672   3.650 -10.790
  485   2HB   LYS 166          HB3       LYS 166   4.640   2.951  -9.497
  486   1HG   LYS 166          HG2       LYS 166   3.538   0.775  -9.955
  487   2HG   LYS 166          HG3       LYS 166   2.833   1.508 -11.395
  488   1HD   LYS 166          HD2       LYS 166   5.099   2.027 -12.217
  489   2HD   LYS 166          HD3       LYS 166   5.775   1.202 -10.809
  490   1HE   LYS 166          HE2       LYS 166   5.787  -0.291 -12.713
  491   2HE   LYS 166          HE3       LYS 166   4.636  -0.867 -11.507
  492   1HZ   LYS 166          HZ1       LYS 166   2.837   0.096 -12.805
  493   2HZ   LYS 166          HZ2       LYS 166   3.730  -0.998 -13.749
  494   3HZ   LYS 166          HZ3       LYS 166   3.941   0.667 -13.950
  495    H    GLU 167           HN       GLU 167   1.790   0.843  -8.326
  496    HA   GLU 167           HA       GLU 167  -0.239   0.597 -10.393
  497   1HB   GLU 167          HB2       GLU 167   1.565  -1.178  -9.703
  498   2HB   GLU 167          HB3       GLU 167   0.416  -1.563  -8.431
  499   1HG   GLU 167          HG2       GLU 167   0.097  -3.028 -10.319
  500   2HG   GLU 167          HG3       GLU 167  -1.303  -1.968 -10.133
  501    H    LEU 168           HN       LEU 168   0.124   1.061  -6.955
  502    HA   LEU 168           HA       LEU 168  -2.688   0.591  -6.436
  503   1HB   LEU 168          HB2       LEU 168  -0.758   0.071  -4.820
  504   2HB   LEU 168          HB3       LEU 168  -0.654   1.798  -4.559
  505    HG   LEU 168           HG       LEU 168  -3.042   1.753  -3.792
  506   1HD1  LEU 168          HD11      LEU 168  -3.710  -0.322  -4.892
  507   2HD1  LEU 168          HD12      LEU 168  -2.605  -1.230  -3.858
  508   3HD1  LEU 168          HD13      LEU 168  -3.990  -0.401  -3.152
  509   1HD2  LEU 168          HD21      LEU 168  -2.520   0.849  -1.595
  510   2HD2  LEU 168          HD22      LEU 168  -1.115   0.014  -2.258
  511   3HD2  LEU 168          HD23      LEU 168  -1.157   1.777  -2.221
  512    H    CYS 169           HN       CYS 169  -0.576   3.191  -7.156
  513    HA   CYS 169           HA       CYS 169  -2.217   5.404  -6.454
  514   1HB   CYS 169          HB2       CYS 169  -0.032   5.994  -6.964
  515   2HB   CYS 169          HB3       CYS 169   0.034   4.916  -8.370
  516    HG   CYS 169           HG       CYS 169  -2.246   7.003  -9.173
  517    H    LYS 170           HN       LYS 170  -2.300   3.054  -9.069
  518    HA   LYS 170           HA       LYS 170  -4.341   4.665 -10.480
  519   1HB   LYS 170          HB2       LYS 170  -2.532   2.454 -11.481
  520   2HB   LYS 170          HB3       LYS 170  -3.738   3.310 -12.435
  521   1HG   LYS 170          HG2       LYS 170  -2.501   5.384 -12.176
  522   2HG   LYS 170          HG3       LYS 170  -1.317   4.568 -11.159
  523   1HD   LYS 170          HD2       LYS 170  -0.460   4.819 -13.417
  524   2HD   LYS 170          HD3       LYS 170  -0.719   3.111 -13.049
  525   1HE   LYS 170          HE2       LYS 170  -2.790   3.124 -14.293
  526   2HE   LYS 170          HE3       LYS 170  -2.650   4.860 -14.564
  527   1HZ   LYS 170          HZ1       LYS 170  -1.952   3.533 -16.491
  528   2HZ   LYS 170          HZ2       LYS 170  -0.713   2.841 -15.563
  529   3HZ   LYS 170          HZ3       LYS 170  -0.700   4.504 -15.888
  530    H    MET 171           HN       MET 171  -4.626   2.856  -8.073
  531    HA   MET 171           HA       MET 171  -6.401   0.849  -9.235
  532   1HB   MET 171          HB2       MET 171  -5.753   1.493  -6.360
  533   2HB   MET 171          HB3       MET 171  -6.829   0.201  -6.877
  534   1HG   MET 171          HG2       MET 171  -4.016   0.319  -7.850
  535   2HG   MET 171          HG3       MET 171  -4.402  -0.312  -6.256
  536   1HE   MET 171          HE1       MET 171  -6.521  -3.443  -6.974
  537   2HE   MET 171          HE2       MET 171  -5.595  -2.544  -5.773
  538   3HE   MET 171          HE3       MET 171  -7.045  -1.832  -6.483
  539    H    THR 172           HN       THR 172  -8.552   0.979  -9.315
  540    HA   THR 172           HA       THR 172  -9.845   3.369  -8.268
  541    HB   THR 172           HB       THR 172 -11.812   2.418  -9.599
  542    HG1  THR 172           HG1      THR 172 -11.348   0.791 -11.042
  543   1HG2  THR 172          HG21      THR 172 -10.931   3.244 -11.730
  544   2HG2  THR 172          HG22      THR 172  -9.290   3.150 -11.089
  545   3HG2  THR 172          HG23      THR 172 -10.441   4.295 -10.400
  546    H    LYS 173           HN       LYS 173 -12.088   3.044  -7.353
  547    HA   LYS 173           HA       LYS 173 -12.051   1.498  -5.036
  548   1HB   LYS 173          HB2       LYS 173 -13.522   3.390  -5.253
  549   2HB   LYS 173          HB3       LYS 173 -14.360   2.646  -6.604
  550   1HG   LYS 173          HG2       LYS 173 -14.452   0.984  -4.236
  551   2HG   LYS 173          HG3       LYS 173 -15.114   2.594  -3.946
  552   1HD   LYS 173          HD2       LYS 173 -15.923   0.752  -6.200
  553   2HD   LYS 173          HD3       LYS 173 -16.830   0.994  -4.708
  554   1HE   LYS 173          HE2       LYS 173 -17.093   3.370  -5.258
  555   2HE   LYS 173          HE3       LYS 173 -16.198   3.121  -6.755
  556   1HZ   LYS 173          HZ1       LYS 173 -18.835   1.968  -6.030
  557   2HZ   LYS 173          HZ2       LYS 173 -17.949   1.502  -7.398
  558   3HZ   LYS 173          HZ3       LYS 173 -18.507   3.094  -7.259
  559    H    ASP 174           HN       ASP 174 -13.177   0.688  -8.275
  560    HA   ASP 174           HA       ASP 174 -14.589  -1.650  -7.465
  561   1HB   ASP 174          HB2       ASP 174 -15.248  -0.485  -9.461
  562   2HB   ASP 174          HB3       ASP 174 -13.631  -0.618 -10.137
  563    H    ASP 175           HN       ASP 175 -11.269  -0.974  -8.232
  564    HA   ASP 175           HA       ASP 175 -10.654  -3.695  -8.958
  565   1HB   ASP 175          HB2       ASP 175  -9.442  -1.423  -9.636
  566   2HB   ASP 175          HB3       ASP 175  -8.485  -1.795  -8.205
  567    H    PHE 176           HN       PHE 176 -10.668  -1.818  -6.008
  568    HA   PHE 176           HA       PHE 176  -9.236  -3.887  -4.573
  569   1HB   PHE 176          HB2       PHE 176 -10.863  -1.523  -3.586
  570   2HB   PHE 176          HB3       PHE 176 -10.120  -2.681  -2.500
  571    HD1  PHE 176           HD1      PHE 176  -9.372  -0.140  -5.084
  572    HD2  PHE 176           HD2      PHE 176  -7.919  -2.454  -1.826
  573    HE1  PHE 176           HE1      PHE 176  -7.332   1.232  -5.023
  574    HE2  PHE 176           HE2      PHE 176  -5.874  -1.093  -1.765
  575    HZ   PHE 176           HZ       PHE 176  -5.580   0.757  -3.362
  576    H    GLN 177           HN       GLN 177 -12.453  -3.277  -5.551
  577    HA   GLN 177           HA       GLN 177 -13.686  -4.902  -3.516
  578   1HB   GLN 177          HB2       GLN 177 -14.730  -3.719  -6.078
  579   2HB   GLN 177          HB3       GLN 177 -15.709  -4.645  -4.949
  580   1HG   GLN 177          HG2       GLN 177 -14.993  -2.968  -3.190
  581   2HG   GLN 177          HG3       GLN 177 -14.382  -1.998  -4.526
  582   1HE2  GLN 177          HE21      GLN 177 -16.548  -1.537  -2.584
  583   2HE2  GLN 177          HE22      GLN 177 -17.953  -1.189  -3.539
  584    H    ARG 178           HN       ARG 178 -11.812  -5.678  -6.149
  585    HA   ARG 178           HA       ARG 178 -13.203  -8.240  -6.554
  586   1HB   ARG 178          HB2       ARG 178 -11.794  -8.582  -8.486
  587   2HB   ARG 178          HB3       ARG 178 -12.521  -6.986  -8.600
  588   1HG   ARG 178          HG2       ARG 178 -10.487  -5.939  -7.900
  589   2HG   ARG 178          HG3       ARG 178  -9.746  -7.504  -7.569
  590   1HD   ARG 178          HD2       ARG 178  -9.824  -8.069  -9.922
  591   2HD   ARG 178          HD3       ARG 178 -10.661  -6.558 -10.281
  592    HE   ARG 178           HE       ARG 178  -8.557  -5.468  -9.358
  593   1HH1  ARG 178          HH12      ARG 178  -8.534  -8.564 -11.008
  594   2HH1  ARG 178          HH11      ARG 178  -6.878  -8.408 -11.519
  595   1HH2  ARG 178          HH22      ARG 178  -6.436  -5.240 -10.050
  596   2HH2  ARG 178          HH21      ARG 178  -5.682  -6.503 -10.989
  597    H    LEU 179           HN       LEU 179 -10.952  -6.907  -4.605
  598    HA   LEU 179           HA       LEU 179  -9.580  -9.488  -4.218
  599   1HB   LEU 179          HB2       LEU 179  -8.444  -6.741  -3.663
  600   2HB   LEU 179          HB3       LEU 179  -7.614  -8.270  -3.448
  601    HG   LEU 179           HG       LEU 179  -8.504  -7.115  -6.093
  602   1HD1  LEU 179          HD11      LEU 179  -5.767  -7.371  -4.865
  603   2HD1  LEU 179          HD12      LEU 179  -6.104  -6.856  -6.518
  604   3HD1  LEU 179          HD13      LEU 179  -6.652  -5.874  -5.160
  605   1HD2  LEU 179          HD21      LEU 179  -6.954  -9.618  -5.450
  606   2HD2  LEU 179          HD22      LEU 179  -8.567  -9.528  -6.160
  607   3HD2  LEU 179          HD23      LEU 179  -7.170  -8.947  -7.066
  608    H    THR 180           HN       THR 180 -11.293  -6.845  -2.921
  609    HA   THR 180           HA       THR 180 -11.921  -8.195  -0.471
  610    HB   THR 180           HB       THR 180 -10.437  -5.544  -0.342
  611    HG1  THR 180           HG1      THR 180  -9.493  -8.012  -0.389
  612   1HG2  THR 180          HG21      THR 180 -12.232  -5.712   1.331
  613   2HG2  THR 180          HG22      THR 180 -10.639  -5.760   2.085
  614   3HG2  THR 180          HG23      THR 180 -11.564  -7.248   1.889
  615    HA   PRO 181           HA       PRO 181 -15.004  -5.881  -2.814
  616   1HB   PRO 181          HB2       PRO 181 -16.983  -7.728  -1.729
  617   2HB   PRO 181          HB3       PRO 181 -16.412  -7.545  -3.389
  618   1HG   PRO 181          HG2       PRO 181 -15.829  -9.714  -1.869
  619   2HG   PRO 181          HG3       PRO 181 -14.743  -9.099  -3.127
  620   1HD   PRO 181          HD2       PRO 181 -14.617  -8.704  -0.160
  621   2HD   PRO 181          HD3       PRO 181 -13.306  -9.053  -1.307
  622    H    SER 182           HN       SER 182 -16.895  -4.716  -2.554
  623    HA   SER 182           HA       SER 182 -18.321  -3.277  -1.598
  624   1HB   SER 182          HB2       SER 182 -18.230  -5.181   0.748
  625   2HB   SER 182          HB3       SER 182 -19.474  -3.966   0.443
  626    HG   SER 182           HG       SER 182 -19.197  -6.467  -0.591
  627    H    TYR 183           HN       TYR 183 -17.234  -3.968   1.623
  628    HA   TYR 183           HA       TYR 183 -16.363  -1.208   1.849
  629   1HB   TYR 183          HB2       TYR 183 -16.342  -1.705   4.313
  630   2HB   TYR 183          HB3       TYR 183 -17.912  -1.903   3.547
  631    HD1  TYR 183           HD1      TYR 183 -15.480  -3.416   5.645
  632    HD2  TYR 183           HD2      TYR 183 -18.543  -4.324   2.836
  633    HE1  TYR 183           HE1      TYR 183 -15.628  -5.700   6.547
  634    HE2  TYR 183           HE2      TYR 183 -18.694  -6.604   3.728
  635    HH   TYR 183           HH       TYR 183 -17.435  -7.541   6.634
  636    H    ASN 184           HN       ASN 184 -14.416  -0.800   3.268
  637    HA   ASN 184           HA       ASN 184 -12.290  -1.084   3.956
  638   1HB   ASN 184          HB2       ASN 184 -12.565  -3.831   2.801
  639   2HB   ASN 184          HB3       ASN 184 -11.073  -3.241   3.529
  640   1HD2  ASN 184          HD21      ASN 184 -12.290  -5.471   4.476
  641   2HD2  ASN 184          HD22      ASN 184 -13.008  -5.169   6.007
  642    H    ALA 185           HN       ALA 185 -13.218  -2.156   0.750
  643    HA   ALA 185           HA       ALA 185 -10.951  -1.475  -0.734
  644   1HB   ALA 185          HB1       ALA 185 -12.943  -2.562  -1.663
  645   2HB   ALA 185          HB2       ALA 185 -13.849  -1.061  -1.464
  646   3HB   ALA 185          HB3       ALA 185 -12.490  -1.129  -2.586
  647    H    ASP 186           HN       ASP 186 -13.733   0.454   0.223
  648    HA   ASP 186           HA       ASP 186 -12.760   3.057  -0.545
  649   1HB   ASP 186          HB2       ASP 186 -14.587   3.894   0.757
  650   2HB   ASP 186          HB3       ASP 186 -15.180   2.487  -0.115
  651    H    ILE 187           HN       ILE 187 -12.644   1.445   2.644
  652    HA   ILE 187           HA       ILE 187 -11.454   3.530   3.971
  653    HB   ILE 187           HB       ILE 187 -10.892   0.581   4.346
  654   1HG1  ILE 187          HG12      ILE 187 -12.954   2.409   5.612
  655   2HG1  ILE 187          HG13      ILE 187 -13.288   1.157   4.419
  656   1HG2  ILE 187          HG21      ILE 187  -9.255   2.011   5.466
  657   2HG2  ILE 187          HG22      ILE 187 -10.561   2.900   6.249
  658   3HG2  ILE 187          HG23      ILE 187 -10.299   1.198   6.633
  659   1HD1  ILE 187          HD11      ILE 187 -12.193   0.697   7.181
  660   2HD1  ILE 187          HD12      ILE 187 -13.865   0.454   6.674
  661   3HD1  ILE 187          HD13      ILE 187 -12.582  -0.546   5.991
  662    H    LEU 188           HN       LEU 188  -9.829   0.901   2.222
  663    HA   LEU 188           HA       LEU 188  -7.188   1.767   2.614
  664   1HB   LEU 188          HB2       LEU 188  -8.385   0.180   0.348
  665   2HB   LEU 188          HB3       LEU 188  -6.669   0.340   0.666
  666    HG   LEU 188           HG       LEU 188  -8.641  -0.901   2.583
  667   1HD1  LEU 188          HD11      LEU 188  -7.685  -3.039   1.925
  668   2HD1  LEU 188          HD12      LEU 188  -8.440  -2.233   0.551
  669   3HD1  LEU 188          HD13      LEU 188  -6.684  -2.232   0.717
  670   1HD2  LEU 188          HD21      LEU 188  -6.623  -1.720   3.710
  671   2HD2  LEU 188          HD22      LEU 188  -5.626  -0.819   2.568
  672   3HD2  LEU 188          HD23      LEU 188  -6.691   0.041   3.680
  673    H    LEU 189           HN       LEU 189  -9.418   2.291  -0.112
  674    HA   LEU 189           HA       LEU 189  -7.558   3.623  -1.782
  675   1HB   LEU 189          HB2       LEU 189  -9.741   2.514  -2.387
  676   2HB   LEU 189          HB3       LEU 189 -10.532   3.948  -1.781
  677    HG   LEU 189           HG       LEU 189  -9.284   5.308  -3.446
  678   1HD1  LEU 189          HD11      LEU 189  -8.155   4.179  -5.296
  679   2HD1  LEU 189          HD12      LEU 189  -7.366   3.831  -3.760
  680   3HD1  LEU 189          HD13      LEU 189  -8.406   2.621  -4.510
  681   1HD2  LEU 189          HD21      LEU 189 -10.612   4.626  -5.361
  682   2HD2  LEU 189          HD22      LEU 189 -10.912   3.056  -4.613
  683   3HD2  LEU 189          HD23      LEU 189 -11.560   4.523  -3.879
  684    H    SER 190           HN       SER 190 -10.176   4.833   0.289
  685    HA   SER 190           HA       SER 190 -10.015   7.508  -0.099
  686   1HB   SER 190          HB2       SER 190 -11.609   6.357   1.419
  687   2HB   SER 190          HB3       SER 190 -10.324   6.203   2.614
  688    HG   SER 190           HG       SER 190 -11.210   8.041   3.231
  689    H    HIS 191           HN       HIS 191  -7.854   5.645   2.054
  690    HA   HIS 191           HA       HIS 191  -6.459   8.030   2.882
  691   1HB   HIS 191          HB2       HIS 191  -6.667   5.683   4.097
  692   2HB   HIS 191          HB3       HIS 191  -5.224   5.333   3.141
  693    HD2  HIS 191           HD2      HIS 191  -5.614   8.878   4.698
  694    HE1  HIS 191           HE1      HIS 191  -2.694   6.681   6.838
  695    HE2  HIS 191           HE2      HIS 191  -3.937   8.891   6.688
  696    H    LEU 192           HN       LEU 192  -6.165   5.622   0.414
  697    HA   LEU 192           HA       LEU 192  -3.538   6.073  -0.311
  698   1HB   LEU 192          HB2       LEU 192  -5.019   4.170  -0.975
  699   2HB   LEU 192          HB3       LEU 192  -5.852   5.245  -2.068
  700    HG   LEU 192           HG       LEU 192  -4.155   3.609  -3.005
  701   1HD1  LEU 192          HD11      LEU 192  -3.415   5.194  -4.696
  702   2HD1  LEU 192          HD12      LEU 192  -5.132   5.366  -4.319
  703   3HD1  LEU 192          HD13      LEU 192  -3.966   6.515  -3.664
  704   1HD2  LEU 192          HD21      LEU 192  -2.369   4.103  -1.401
  705   2HD2  LEU 192          HD22      LEU 192  -1.884   4.292  -3.092
  706   3HD2  LEU 192          HD23      LEU 192  -2.237   5.718  -2.113
  707    H    HIS 193           HN       HIS 193  -6.516   7.608  -1.043
  708    HA   HIS 193           HA       HIS 193  -5.402   9.570  -2.880
  709   1HB   HIS 193          HB2       HIS 193  -8.177   9.254  -1.721
  710   2HB   HIS 193          HB3       HIS 193  -7.723  10.522  -2.852
  711    HD2  HIS 193           HD2      HIS 193  -5.876   8.000  -4.489
  712    HE1  HIS 193           HE1      HIS 193  -9.844   7.036  -5.592
  713    HE2  HIS 193           HE2      HIS 193  -7.386   6.645  -6.102
  714    H    TYR 194           HN       TYR 194  -5.549   9.251   0.466
  715    HA   TYR 194           HA       TYR 194  -5.970  12.114   0.944
  716   1HB   TYR 194          HB2       TYR 194  -7.319  10.628   2.327
  717   2HB   TYR 194          HB3       TYR 194  -5.873   9.784   2.875
  718    HD1  TYR 194           HD1      TYR 194  -7.792  12.916   3.097
  719    HD2  TYR 194           HD2      TYR 194  -4.484  10.703   4.600
  720    HE1  TYR 194           HE1      TYR 194  -7.610  14.481   4.981
  721    HE2  TYR 194           HE2      TYR 194  -4.294  12.262   6.489
  722    HH   TYR 194           HH       TYR 194  -4.906  14.612   6.999
  723    H    LEU 195           HN       LEU 195  -3.706   9.478   1.607
  724    HA   LEU 195           HA       LEU 195  -1.698  10.836   2.998
  725   1HB   LEU 195          HB2       LEU 195  -1.813   8.487   1.160
  726   2HB   LEU 195          HB3       LEU 195  -0.290   9.020   1.806
  727    HG   LEU 195           HG       LEU 195  -2.667   8.066   3.379
  728   1HD1  LEU 195          HD11      LEU 195   0.102   6.929   3.037
  729   2HD1  LEU 195          HD12      LEU 195  -1.180   6.258   4.050
  730   3HD1  LEU 195          HD13      LEU 195  -1.372   6.306   2.296
  731   1HD2  LEU 195          HD21      LEU 195  -1.277   8.372   5.363
  732   2HD2  LEU 195          HD22      LEU 195  -0.008   9.094   4.369
  733   3HD2  LEU 195          HD23      LEU 195  -1.565   9.905   4.542
  734    H    ARG 196           HN       ARG 196  -2.424  10.514  -0.340
  735    HA   ARG 196           HA       ARG 196  -0.053  11.623  -1.518
  736   1HB   ARG 196          HB2       ARG 196  -1.460   9.888  -2.463
  737   2HB   ARG 196          HB3       ARG 196  -2.799  11.027  -2.582
  738   1HG   ARG 196          HG2       ARG 196  -1.497  12.333  -4.189
  739   2HG   ARG 196          HG3       ARG 196  -0.174  11.168  -4.041
  740   1HD   ARG 196          HD2       ARG 196  -2.919  10.745  -5.173
  741   2HD   ARG 196          HD3       ARG 196  -1.360  10.486  -5.942
  742    HE   ARG 196           HE       ARG 196  -2.527   8.763  -3.867
  743   1HH1  ARG 196          HH12      ARG 196  -0.304   9.360  -6.484
  744   2HH1  ARG 196          HH11      ARG 196   0.117   7.691  -6.688
  745   1HH2  ARG 196          HH22      ARG 196  -1.979   6.543  -4.122
  746   2HH2  ARG 196          HH21      ARG 196  -0.813   6.085  -5.320
  747    H    GLU 197           HN       GLU 197  -2.526  13.164   0.175
  748    HA   GLU 197           HA       GLU 197  -2.822  15.458  -1.509
  749   1HB   GLU 197          HB2       GLU 197  -3.422  14.970   1.399
  750   2HB   GLU 197          HB3       GLU 197  -3.677  16.537   0.642
  751   1HG   GLU 197          HG2       GLU 197  -4.948  13.957  -0.245
  752   2HG   GLU 197          HG3       GLU 197  -5.722  15.178   0.763
  753    H    THR 198           HN       THR 198  -0.336  14.389   0.577
  754    HA   THR 198           HA       THR 198   1.048  16.933   0.094
  755    HB   THR 198           HB       THR 198   0.543  17.005   2.436
  756    HG1  THR 198           HG1      THR 198   3.225  16.135   1.990
  757   1HG2  THR 198          HG21      THR 198   1.692  14.217   2.644
  758   2HG2  THR 198          HG22      THR 198  -0.007  14.659   2.817
  759   3HG2  THR 198          HG23      THR 198   1.175  15.215   4.002
  760    HA   PRO 199           HA       PRO 199   2.779  13.008  -1.667
  761   1HB   PRO 199          HB2       PRO 199   3.534  14.008  -4.073
  762   2HB   PRO 199          HB3       PRO 199   1.885  13.492  -3.704
  763   1HG   PRO 199          HG2       PRO 199   3.052  16.243  -3.723
  764   2HG   PRO 199          HG3       PRO 199   1.491  15.687  -4.355
  765   1HD   PRO 199          HD2       PRO 199   1.731  16.948  -1.978
  766   2HD   PRO 199          HD3       PRO 199   0.504  15.699  -2.274
  767    H    LEU 200           HN       LEU 200   4.870  12.533  -2.919
  768    HA   LEU 200           HA       LEU 200   7.039  13.489  -1.313
  769   1HB   LEU 200          HB2       LEU 200   6.787  11.118  -2.021
  770   2HB   LEU 200          HB3       LEU 200   7.076  11.603  -3.677
  771    HG   LEU 200           HG       LEU 200   9.010  10.530  -2.402
  772   1HD1  LEU 200          HD11      LEU 200   9.461  13.212  -3.695
  773   2HD1  LEU 200          HD12      LEU 200  10.692  11.978  -3.422
  774   3HD1  LEU 200          HD13      LEU 200   9.350  11.657  -4.520
  775   1HD2  LEU 200          HD21      LEU 200   8.775  11.736  -0.315
  776   2HD2  LEU 200          HD22      LEU 200  10.360  12.038  -1.028
  777   3HD2  LEU 200          HD23      LEU 200   9.093  13.261  -1.139
  778    HA   PRO 201           HA       PRO 201   8.358  14.710  -6.173
  779   1HB   PRO 201          HB2       PRO 201   5.807  16.277  -6.118
  780   2HB   PRO 201          HB3       PRO 201   6.717  15.668  -7.503
  781   1HG   PRO 201          HG2       PRO 201   4.546  14.393  -6.408
  782   2HG   PRO 201          HG3       PRO 201   5.815  13.581  -7.338
  783   1HD   PRO 201          HD2       PRO 201   5.183  13.271  -4.559
  784   2HD   PRO 201          HD3       PRO 201   6.470  12.472  -5.481
  Start of MODEL   13
    1   1H    GLY 105           H1       GLY 105   9.817 -13.587  10.977
    2   2H    GLY 105           H2       GLY 105  11.040 -13.438  12.145
    3   3H    GLY 105           H3       GLY 105  10.960 -14.823  11.173
    4   1HA   GLY 105          HA2       GLY 105  11.553 -12.079  10.221
    5   2HA   GLY 105          HA1       GLY 105  12.726 -13.377  10.416
    6    H    SER 106           HN       SER 106  12.317 -12.071   7.974
    7    HA   SER 106           HA       SER 106  11.065 -14.218   6.413
    8   1HB   SER 106          HB2       SER 106  10.749 -11.246   5.974
    9   2HB   SER 106          HB3       SER 106  10.236 -12.480   4.821
   10    HG   SER 106           HG       SER 106   8.833 -13.300   6.407
   11    H    HIS 107           HN       HIS 107  12.386 -15.099   5.060
   12    HA   HIS 107           HA       HIS 107  14.153 -13.384   3.469
   13   1HB   HIS 107          HB2       HIS 107  15.750 -15.398   3.363
   14   2HB   HIS 107          HB3       HIS 107  15.757 -14.443   4.838
   15    HD2  HIS 107           HD2      HIS 107  14.122 -17.847   3.654
   16    HE1  HIS 107           HE1      HIS 107  15.041 -17.999   7.780
   17    HE2  HIS 107           HE2      HIS 107  14.363 -19.357   5.754
   18    H    MET 108           HN       MET 108  11.636 -13.973   2.909
   19    HA   MET 108           HA       MET 108  11.575 -16.303   1.101
   20   1HB   MET 108          HB2       MET 108  10.031 -16.543   2.923
   21   2HB   MET 108          HB3       MET 108   9.447 -14.902   2.725
   22   1HG   MET 108          HG2       MET 108   8.460 -15.551   0.560
   23   2HG   MET 108          HG3       MET 108   8.981 -17.210   0.854
   24   1HE   MET 108          HE1       MET 108   6.396 -17.917   0.451
   25   2HE   MET 108          HE2       MET 108   5.059 -17.263   1.396
   26   3HE   MET 108          HE3       MET 108   5.936 -16.225   0.270
   27    H    GLU 109           HN       GLU 109  11.554 -12.952   1.296
   28    HA   GLU 109           HA       GLU 109   9.792 -12.337  -0.837
   29   1HB   GLU 109          HB2       GLU 109  10.704 -10.050  -0.655
   30   2HB   GLU 109          HB3       GLU 109  10.173 -10.703   0.883
   31   1HG   GLU 109          HG2       GLU 109  13.030 -10.468  -0.055
   32   2HG   GLU 109          HG3       GLU 109  12.228  -9.419   1.109
   33    H    GLU 110           HN       GLU 110  10.376 -13.559  -2.589
   34    HA   GLU 110           HA       GLU 110  12.882 -12.933  -3.928
   35   1HB   GLU 110          HB2       GLU 110  10.602 -14.798  -4.605
   36   2HB   GLU 110          HB3       GLU 110  11.972 -14.525  -5.675
   37   1HG   GLU 110          HG2       GLU 110  13.491 -15.339  -3.957
   38   2HG   GLU 110          HG3       GLU 110  12.132 -15.595  -2.865
   39    H    LYS 111           HN       LYS 111  11.813 -13.053  -6.617
   40    HA   LYS 111           HA       LYS 111  11.039 -11.665  -8.246
   41   1HB   LYS 111          HB2       LYS 111   8.862 -11.634  -7.259
   42   2HB   LYS 111          HB3       LYS 111   9.386 -10.568  -5.966
   43   1HG   LYS 111          HG2       LYS 111   8.056  -9.305  -7.475
   44   2HG   LYS 111          HG3       LYS 111   9.729  -8.783  -7.667
   45   1HD   LYS 111          HD2       LYS 111   9.942 -10.162  -9.663
   46   2HD   LYS 111          HD3       LYS 111   8.283 -10.730  -9.461
   47   1HE   LYS 111          HE2       LYS 111   7.466  -8.440  -9.733
   48   2HE   LYS 111          HE3       LYS 111   9.124  -7.871  -9.925
   49   1HZ   LYS 111          HZ1       LYS 111   7.725  -9.771 -11.729
   50   2HZ   LYS 111          HZ2       LYS 111   9.324  -9.240 -11.908
   51   3HZ   LYS 111          HZ3       LYS 111   8.039  -8.137 -12.061
   52    H    HIS 112           HN       HIS 112  11.963  -9.908  -9.205
   53    HA   HIS 112           HA       HIS 112  14.005  -8.534  -7.788
   54   1HB   HIS 112          HB2       HIS 112  12.852  -8.015 -10.539
   55   2HB   HIS 112          HB3       HIS 112  14.307  -7.253  -9.896
   56    HD2  HIS 112           HD2      HIS 112  16.216  -9.438  -9.007
   57    HE1  HIS 112           HE1      HIS 112  15.048 -11.713 -12.375
   58    HE2  HIS 112           HE2      HIS 112  16.634 -11.584 -10.403
   59    H    MET 113           HN       MET 113  13.028  -7.522  -6.097
   60    HA   MET 113           HA       MET 113  10.781  -5.819  -6.266
   61   1HB   MET 113          HB2       MET 113  12.952  -5.939  -4.163
   62   2HB   MET 113          HB3       MET 113  11.364  -5.207  -3.968
   63   1HG   MET 113          HG2       MET 113  10.283  -7.316  -4.103
   64   2HG   MET 113          HG3       MET 113  11.772  -8.115  -4.604
   65   1HE   MET 113          HE1       MET 113   9.884  -6.326  -1.677
   66   2HE   MET 113          HE2       MET 113  11.086  -6.381  -0.388
   67   3HE   MET 113          HE3       MET 113  11.367  -5.380  -1.812
   68    HA   PRO 114           HA       PRO 114  12.761  -2.178  -7.953
   69   1HB   PRO 114          HB2       PRO 114  10.351  -0.850  -6.869
   70   2HB   PRO 114          HB3       PRO 114  10.974  -0.874  -8.521
   71   1HG   PRO 114          HG2       PRO 114   8.794  -2.264  -7.859
   72   2HG   PRO 114          HG3       PRO 114   9.982  -2.906  -9.011
   73   1HD   PRO 114          HD2       PRO 114   9.591  -3.578  -6.118
   74   2HD   PRO 114          HD3       PRO 114   9.936  -4.655  -7.488
   75    HA   PRO 115           HA       PRO 115  14.806  -0.799  -4.223
   76   1HB   PRO 115          HB2       PRO 115  15.513   1.427  -6.080
   77   2HB   PRO 115          HB3       PRO 115  16.556   0.460  -5.032
   78   1HG   PRO 115          HG2       PRO 115  16.511   0.007  -7.643
   79   2HG   PRO 115          HG3       PRO 115  16.578  -1.348  -6.499
   80   1HD   PRO 115          HD2       PRO 115  14.267  -0.313  -8.086
   81   2HD   PRO 115          HD3       PRO 115  14.701  -1.986  -7.679
   82    HA   PRO 116           HA       PRO 116  11.768   1.884  -2.521
   83   1HB   PRO 116          HB2       PRO 116  13.308   2.937  -0.487
   84   2HB   PRO 116          HB3       PRO 116  12.493   1.373  -0.428
   85   1HG   PRO 116          HG2       PRO 116  15.344   2.001  -1.069
   86   2HG   PRO 116          HG3       PRO 116  14.678   0.678  -0.091
   87   1HD   PRO 116          HD2       PRO 116  15.509   0.271  -2.602
   88   2HD   PRO 116          HD3       PRO 116  14.079  -0.564  -1.959
   89    H    ASN 117           HN       ASN 117  11.093   3.779  -3.208
   90    HA   ASN 117           HA       ASN 117  13.025   5.835  -4.016
   91   1HB   ASN 117          HB2       ASN 117  10.032   5.748  -4.503
   92   2HB   ASN 117          HB3       ASN 117  11.190   6.842  -5.252
   93   1HD2  ASN 117          HD21      ASN 117   9.842   3.650  -5.253
   94   2HD2  ASN 117          HD22      ASN 117  10.618   3.110  -6.700
   95    H    MET 118           HN       MET 118  12.733   5.428  -1.287
   96    HA   MET 118           HA       MET 118  10.686   7.256  -0.314
   97   1HB   MET 118          HB2       MET 118  12.390   5.172   1.019
   98   2HB   MET 118          HB3       MET 118  11.453   6.332   1.950
   99   1HG   MET 118          HG2       MET 118  10.260   4.250   1.736
  100   2HG   MET 118          HG3       MET 118   9.410   5.537   0.884
  101   1HE   MET 118          HE1       MET 118   7.937   3.810  -0.440
  102   2HE   MET 118          HE2       MET 118   8.603   2.406  -1.277
  103   3HE   MET 118          HE3       MET 118   8.724   2.526   0.477
  104    H    THR 119           HN       THR 119  11.779   9.199  -0.996
  105    HA   THR 119           HA       THR 119  14.060   9.979   0.627
  106    HB   THR 119           HB       THR 119  13.911  10.814  -1.686
  107    HG1  THR 119           HG1      THR 119  14.700  12.128   0.297
  108   1HG2  THR 119          HG21      THR 119  12.251  12.489  -2.313
  109   2HG2  THR 119          HG22      THR 119  11.481  12.334  -0.735
  110   3HG2  THR 119          HG23      THR 119  11.467  10.976  -1.860
  111    H    THR 120           HN       THR 120  10.768   9.732   1.013
  112    HA   THR 120           HA       THR 120  10.793  11.617   3.274
  113    HB   THR 120           HB       THR 120   8.261  11.180   1.723
  114    HG1  THR 120           HG1      THR 120   9.232  13.417   0.804
  115   1HG2  THR 120          HG21      THR 120   7.795  13.464   2.534
  116   2HG2  THR 120          HG22      THR 120   9.384  13.514   3.297
  117   3HG2  THR 120          HG23      THR 120   8.170  12.365   3.861
  118    H    ASN 121           HN       ASN 121  11.358   8.966   3.655
  119    HA   ASN 121           HA       ASN 121   8.891   7.510   4.075
  120   1HB   ASN 121          HB2       ASN 121  10.285   5.621   4.728
  121   2HB   ASN 121          HB3       ASN 121  10.842   6.301   3.205
  122   1HD2  ASN 121          HD21      ASN 121  12.848   7.309   3.111
  123   2HD2  ASN 121          HD22      ASN 121  14.010   7.182   4.390
  124    H    GLU 122           HN       GLU 122  11.288   9.208   5.951
  125    HA   GLU 122           HA       GLU 122  11.372   9.848   8.132
  126   1HB   GLU 122          HB2       GLU 122   8.993  10.640   7.030
  127   2HB   GLU 122          HB3       GLU 122   8.458   9.824   8.490
  128   1HG   GLU 122          HG2       GLU 122  10.500  12.038   8.436
  129   2HG   GLU 122          HG3       GLU 122   8.781  12.275   8.735
  130    H    ARG 123           HN       ARG 123   9.145   9.238  10.079
  131    HA   ARG 123           HA       ARG 123   9.696   6.378  10.486
  132   1HB   ARG 123          HB2       ARG 123   8.984   8.595  12.395
  133   2HB   ARG 123          HB3       ARG 123   8.812   6.902  12.843
  134   1HG   ARG 123          HG2       ARG 123  11.161   6.527  12.558
  135   2HG   ARG 123          HG3       ARG 123  11.385   8.150  11.903
  136   1HD   ARG 123          HD2       ARG 123  12.076   7.926  14.275
  137   2HD   ARG 123          HD3       ARG 123  10.828   9.142  14.013
  138    HE   ARG 123           HE       ARG 123  10.004   6.456  14.862
  139   1HH1  ARG 123          HH12      ARG 123  10.495   9.831  15.616
  140   2HH1  ARG 123          HH11      ARG 123   9.508   9.803  17.044
  141   1HH2  ARG 123          HH22      ARG 123   8.673   6.397  16.736
  142   2HH2  ARG 123          HH21      ARG 123   8.462   7.845  17.682
  143    H    ARG 124           HN       ARG 124   7.846   7.380   8.590
  144    HA   ARG 124           HA       ARG 124   5.174   7.140   9.594
  145   1HB   ARG 124          HB2       ARG 124   6.427   7.277   6.877
  146   2HB   ARG 124          HB3       ARG 124   4.769   6.726   7.019
  147   1HG   ARG 124          HG2       ARG 124   5.040   9.134   6.479
  148   2HG   ARG 124          HG3       ARG 124   4.062   8.808   7.908
  149   1HD   ARG 124          HD2       ARG 124   5.816   9.478   9.350
  150   2HD   ARG 124          HD3       ARG 124   6.983   9.497   8.026
  151    HE   ARG 124           HE       ARG 124   5.314  11.321   7.136
  152   1HH1  ARG 124          HH12      ARG 124   6.407  10.883  10.442
  153   2HH1  ARG 124          HH11      ARG 124   6.320  12.576  10.827
  154   1HH2  ARG 124          HH22      ARG 124   5.199  13.538   7.633
  155   2HH2  ARG 124          HH21      ARG 124   5.590  14.079   9.237
  156    H    VAL 125           HN       VAL 125   6.127   5.223   6.867
  157    HA   VAL 125           HA       VAL 125   5.939   2.738   8.413
  158    HB   VAL 125           HB       VAL 125   4.786   2.606   5.700
  159   1HG1  VAL 125          HG11      VAL 125   3.939   1.492   8.368
  160   2HG1  VAL 125          HG12      VAL 125   3.210   1.089   6.814
  161   3HG1  VAL 125          HG13      VAL 125   4.890   0.665   7.135
  162   1HG2  VAL 125          HG21      VAL 125   3.225   3.953   7.901
  163   2HG2  VAL 125          HG22      VAL 125   3.762   4.697   6.393
  164   3HG2  VAL 125          HG23      VAL 125   2.566   3.398   6.360
  165    H    ILE 126           HN       ILE 126   8.146   4.278   7.329
  166    HA   ILE 126           HA       ILE 126  10.075   4.005   6.153
  167    HB   ILE 126           HB       ILE 126   9.062   1.234   5.427
  168   1HG1  ILE 126          HG12      ILE 126   9.071   1.441   7.838
  169   2HG1  ILE 126          HG13      ILE 126  10.442   0.453   7.349
  170   1HG2  ILE 126          HG21      ILE 126  11.863   2.357   5.502
  171   2HG2  ILE 126          HG22      ILE 126  11.433   0.682   5.148
  172   3HG2  ILE 126          HG23      ILE 126  10.932   1.973   4.054
  173   1HD1  ILE 126          HD11      ILE 126  11.916   2.394   7.620
  174   2HD1  ILE 126          HD12      ILE 126  10.531   3.356   8.144
  175   3HD1  ILE 126          HD13      ILE 126  11.070   1.982   9.112
  176    H    VAL 127           HN       VAL 127   7.510   4.951   5.146
  177    HA   VAL 127           HA       VAL 127   8.045   4.951   2.277
  178    HB   VAL 127           HB       VAL 127   5.728   4.506   1.701
  179   1HG1  VAL 127          HG11      VAL 127   6.741   2.368   3.562
  180   2HG1  VAL 127          HG12      VAL 127   5.536   2.157   2.293
  181   3HG1  VAL 127          HG13      VAL 127   7.198   2.569   1.873
  182   1HG2  VAL 127          HG21      VAL 127   4.622   5.447   3.632
  183   2HG2  VAL 127          HG22      VAL 127   4.090   3.782   3.389
  184   3HG2  VAL 127          HG23      VAL 127   5.257   4.159   4.657
  185    HA   PRO 128           HA       PRO 128   6.511   9.153   2.941
  186   1HB   PRO 128          HB2       PRO 128   6.050   9.931   0.425
  187   2HB   PRO 128          HB3       PRO 128   7.698   9.652   0.993
  188   1HG   PRO 128          HG2       PRO 128   5.939   7.869  -0.637
  189   2HG   PRO 128          HG3       PRO 128   7.660   8.240  -0.844
  190   1HD   PRO 128          HD2       PRO 128   6.724   5.981   0.370
  191   2HD   PRO 128          HD3       PRO 128   8.305   6.710   0.705
  192    H    ALA 129           HN       ALA 129   4.506  10.092   3.198
  193    HA   ALA 129           HA       ALA 129   2.124   8.803   3.013
  194   1HB   ALA 129          HB1       ALA 129   2.424  10.949   4.134
  195   2HB   ALA 129          HB2       ALA 129   2.479  11.757   2.567
  196   3HB   ALA 129          HB3       ALA 129   1.004  10.945   3.088
  197    H    ASP 130           HN       ASP 130   3.902  10.002   0.300
  198    HA   ASP 130           HA       ASP 130   1.726   9.650  -1.588
  199   1HB   ASP 130          HB2       ASP 130   3.468  11.137  -2.285
  200   2HB   ASP 130          HB3       ASP 130   4.698   9.946  -1.907
  201    HA   PRO 131           HA       PRO 131   2.287   5.289  -1.514
  202   1HB   PRO 131          HB2       PRO 131  -0.345   5.153  -2.642
  203   2HB   PRO 131          HB3       PRO 131   0.160   4.776  -0.994
  204   1HG   PRO 131          HG2       PRO 131  -1.456   6.892  -1.660
  205   2HG   PRO 131          HG3       PRO 131  -0.432   6.838  -0.215
  206   1HD   PRO 131          HD2       PRO 131   0.078   8.161  -2.838
  207   2HD   PRO 131          HD3       PRO 131   0.387   8.762  -1.196
  208    H    THR 132           HN       THR 132   2.914   7.221  -4.034
  209    HA   THR 132           HA       THR 132   2.288   5.198  -5.994
  210    HB   THR 132           HB       THR 132   3.080   6.735  -7.665
  211    HG1  THR 132           HG1      THR 132   3.817   8.401  -5.479
  212   1HG2  THR 132          HG21      THR 132   0.786   7.039  -7.046
  213   2HG2  THR 132          HG22      THR 132   1.500   8.627  -7.315
  214   3HG2  THR 132          HG23      THR 132   1.248   8.039  -5.671
  215    H    LEU 133           HN       LEU 133   4.972   6.852  -4.528
  216    HA   LEU 133           HA       LEU 133   7.138   5.755  -5.756
  217   1HB   LEU 133          HB2       LEU 133   6.756   6.618  -2.912
  218   2HB   LEU 133          HB3       LEU 133   8.304   6.360  -3.696
  219    HG   LEU 133           HG       LEU 133   6.243   8.459  -4.399
  220   1HD1  LEU 133          HD11      LEU 133   7.470   9.129  -2.495
  221   2HD1  LEU 133          HD12      LEU 133   8.994   8.563  -3.183
  222   3HD1  LEU 133          HD13      LEU 133   8.184   9.970  -3.866
  223   1HD2  LEU 133          HD21      LEU 133   7.832   9.226  -6.093
  224   2HD2  LEU 133          HD22      LEU 133   8.877   7.847  -5.747
  225   3HD2  LEU 133          HD23      LEU 133   7.273   7.587  -6.434
  226    H    TRP 134           HN       TRP 134   4.980   4.276  -3.414
  227    HA   TRP 134           HA       TRP 134   6.742   2.760  -1.976
  228   1HB   TRP 134          HB2       TRP 134   3.854   2.206  -2.614
  229   2HB   TRP 134          HB3       TRP 134   4.781   1.387  -1.366
  230    HD1  TRP 134           HD1      TRP 134   6.033   4.674  -0.918
  231    HE1  TRP 134           HE1      TRP 134   4.666   6.067   0.769
  232    HE3  TRP 134           HE3      TRP 134   1.823   1.773  -0.717
  233    HZ2  TRP 134           HZ2      TRP 134   2.154   5.919   2.031
  234    HZ3  TRP 134           HZ3      TRP 134  -0.011   2.463   0.771
  235    HH2  TRP 134           HH2      TRP 134   0.153   4.492   2.118
  236    H    SER 135           HN       SER 135   7.725   0.833  -2.281
  237    HA   SER 135           HA       SER 135   7.508  -0.385  -4.869
  238   1HB   SER 135          HB2       SER 135   9.091  -1.307  -2.459
  239   2HB   SER 135          HB3       SER 135   9.308  -1.828  -4.130
  240    HG   SER 135           HG       SER 135  10.752  -0.275  -4.065
  241    H    THR 136           HN       THR 136   7.197  -2.635  -5.081
  242    HA   THR 136           HA       THR 136   4.860  -3.789  -4.513
  243    HB   THR 136           HB       THR 136   6.180  -6.079  -4.297
  244    HG1  THR 136           HG1      THR 136   8.158  -4.580  -5.613
  245   1HG2  THR 136          HG21      THR 136   6.066  -4.283  -6.718
  246   2HG2  THR 136          HG22      THR 136   4.893  -5.512  -6.227
  247   3HG2  THR 136          HG23      THR 136   6.495  -5.996  -6.785
  248    H    ASP 137           HN       ASP 137   7.570  -3.945  -2.186
  249    HA   ASP 137           HA       ASP 137   5.947  -5.549  -0.370
  250   1HB   ASP 137          HB2       ASP 137   7.837  -5.867   0.969
  251   2HB   ASP 137          HB3       ASP 137   8.494  -5.846  -0.668
  252    H    HIS 138           HN       HIS 138   7.034  -2.199  -0.758
  253    HA   HIS 138           HA       HIS 138   6.234  -1.370   1.802
  254   1HB   HIS 138          HB2       HIS 138   6.726   0.141  -0.753
  255   2HB   HIS 138          HB3       HIS 138   6.447   0.897   0.808
  256    HD2  HIS 138           HD2      HIS 138   8.463  -0.083   2.792
  257    HE1  HIS 138           HE1      HIS 138  11.341  -0.328  -0.297
  258    HE2  HIS 138           HE2      HIS 138  10.949  -0.506   2.200
  259    H    VAL 139           HN       VAL 139   4.292  -2.368  -0.772
  260    HA   VAL 139           HA       VAL 139   2.320  -0.270  -0.293
  261    HB   VAL 139           HB       VAL 139   2.676  -2.264  -2.483
  262   1HG1  VAL 139          HG11      VAL 139  -0.067  -1.292  -1.645
  263   2HG1  VAL 139          HG12      VAL 139   0.310  -2.158  -3.136
  264   3HG1  VAL 139          HG13      VAL 139   0.497  -2.961  -1.576
  265   1HG2  VAL 139          HG21      VAL 139   3.154   0.147  -2.698
  266   2HG2  VAL 139          HG22      VAL 139   1.912  -0.409  -3.823
  267   3HG2  VAL 139          HG23      VAL 139   1.449   0.479  -2.371
  268    H    ARG 140           HN       ARG 140   3.104  -3.610  -0.141
  269    HA   ARG 140           HA       ARG 140   0.762  -4.600   1.118
  270   1HB   ARG 140          HB2       ARG 140   2.396  -5.975  -0.143
  271   2HB   ARG 140          HB3       ARG 140   3.589  -5.676   1.114
  272   1HG   ARG 140          HG2       ARG 140   1.052  -6.759   2.053
  273   2HG   ARG 140          HG3       ARG 140   1.969  -7.825   1.003
  274   1HD   ARG 140          HD2       ARG 140   2.978  -6.508   3.518
  275   2HD   ARG 140          HD3       ARG 140   2.557  -8.211   3.331
  276    HE   ARG 140           HE       ARG 140   4.404  -8.144   1.538
  277   1HH1  ARG 140          HH12      ARG 140   4.405  -6.402   4.580
  278   2HH1  ARG 140          HH11      ARG 140   6.138  -6.244   4.631
  279   1HH2  ARG 140          HH22      ARG 140   6.695  -7.959   1.626
  280   2HH2  ARG 140          HH21      ARG 140   7.436  -7.126   2.956
  281    H    GLN 141           HN       GLN 141   3.657  -3.043   2.133
  282    HA   GLN 141           HA       GLN 141   3.696  -3.663   4.882
  283   1HB   GLN 141          HB2       GLN 141   5.634  -2.714   3.931
  284   2HB   GLN 141          HB3       GLN 141   4.748  -1.328   3.317
  285   1HG   GLN 141          HG2       GLN 141   4.700  -0.267   5.342
  286   2HG   GLN 141          HG3       GLN 141   4.772  -1.793   6.239
  287   1HE2  GLN 141          HE21      GLN 141   6.988  -1.424   3.634
  288   2HE2  GLN 141          HE22      GLN 141   8.389  -1.112   4.592
  289    H    TRP 142           HN       TRP 142   2.711  -0.509   3.497
  290    HA   TRP 142           HA       TRP 142   1.348   0.394   5.727
  291   1HB   TRP 142          HB2       TRP 142   1.766   1.828   3.753
  292   2HB   TRP 142          HB3       TRP 142   0.593   0.903   2.832
  293    HD1  TRP 142           HD1      TRP 142   0.758   3.340   5.807
  294    HE1  TRP 142           HE1      TRP 142  -1.589   4.323   6.193
  295    HE3  TRP 142           HE3      TRP 142  -1.842   0.644   2.321
  296    HZ2  TRP 142           HZ2      TRP 142  -4.183   4.001   5.180
  297    HZ3  TRP 142           HZ3      TRP 142  -4.252   1.062   2.069
  298    HH2  TRP 142           HH2      TRP 142  -5.400   2.715   3.465
  299    H    LEU 143           HN       LEU 143   0.080  -1.188   2.918
  300    HA   LEU 143           HA       LEU 143  -2.493  -1.572   3.531
  301   1HB   LEU 143          HB2       LEU 143  -1.308  -2.343   1.502
  302   2HB   LEU 143          HB3       LEU 143  -0.724  -3.721   2.401
  303    HG   LEU 143           HG       LEU 143  -3.295  -4.155   2.767
  304   1HD1  LEU 143          HD11      LEU 143  -4.109  -2.146   1.743
  305   2HD1  LEU 143          HD12      LEU 143  -3.188  -2.477   0.270
  306   3HD1  LEU 143          HD13      LEU 143  -4.543  -3.518   0.720
  307   1HD2  LEU 143          HD21      LEU 143  -1.710  -5.632   1.656
  308   2HD2  LEU 143          HD22      LEU 143  -3.258  -5.585   0.810
  309   3HD2  LEU 143          HD23      LEU 143  -1.877  -4.693   0.171
  310    H    GLU 144           HN       GLU 144   0.134  -3.458   4.882
  311    HA   GLU 144           HA       GLU 144  -1.583  -5.187   6.367
  312   1HB   GLU 144          HB2       GLU 144   1.344  -4.518   6.789
  313   2HB   GLU 144          HB3       GLU 144   0.484  -5.702   7.733
  314   1HG   GLU 144          HG2       GLU 144   0.139  -7.061   5.773
  315   2HG   GLU 144          HG3       GLU 144   0.937  -5.848   4.782
  316    H    TRP 145           HN       TRP 145   0.539  -2.592   7.281
  317    HA   TRP 145           HA       TRP 145  -0.314  -2.048   9.872
  318   1HB   TRP 145          HB2       TRP 145   1.600  -0.963   9.464
  319   2HB   TRP 145          HB3       TRP 145   1.269  -0.834   7.753
  320    HD1  TRP 145           HD1      TRP 145   1.055   1.492   6.904
  321    HE1  TRP 145           HE1      TRP 145   0.576   3.787   7.886
  322    HE3  TRP 145           HE3      TRP 145   0.038   0.092  11.676
  323    HZ2  TRP 145           HZ2      TRP 145  -0.181   4.899  10.383
  324    HZ3  TRP 145           HZ3      TRP 145  -0.559   1.828  13.327
  325    HH2  TRP 145           HH2      TRP 145  -0.665   4.187  12.687
  326    H    ALA 146           HN       ALA 146  -2.160  -1.840   7.171
  327    HA   ALA 146           HA       ALA 146  -3.656   0.606   7.876
  328   1HB   ALA 146          HB1       ALA 146  -4.780   0.286   5.724
  329   2HB   ALA 146          HB2       ALA 146  -3.028   0.393   5.553
  330   3HB   ALA 146          HB3       ALA 146  -3.828  -1.175   5.453
  331    H    VAL 147           HN       VAL 147  -4.270  -2.605   6.719
  332    HA   VAL 147           HA       VAL 147  -6.720  -3.221   7.782
  333    HB   VAL 147           HB       VAL 147  -4.292  -4.998   7.560
  334   1HG1  VAL 147          HG11      VAL 147  -5.830  -6.905   7.696
  335   2HG1  VAL 147          HG12      VAL 147  -5.812  -5.970   9.192
  336   3HG1  VAL 147          HG13      VAL 147  -7.154  -5.798   8.063
  337   1HG2  VAL 147          HG21      VAL 147  -6.718  -4.620   5.810
  338   2HG2  VAL 147          HG22      VAL 147  -5.078  -4.071   5.462
  339   3HG2  VAL 147          HG23      VAL 147  -5.432  -5.798   5.534
  340    H    LYS 148           HN       LYS 148  -3.612  -3.115   9.363
  341    HA   LYS 148           HA       LYS 148  -4.485  -4.135  11.865
  342   1HB   LYS 148          HB2       LYS 148  -1.993  -2.746  10.937
  343   2HB   LYS 148          HB3       LYS 148  -2.260  -3.084  12.643
  344   1HG   LYS 148          HG2       LYS 148  -2.374  -5.204  10.512
  345   2HG   LYS 148          HG3       LYS 148  -0.902  -4.786  11.392
  346   1HD   LYS 148          HD2       LYS 148  -1.853  -5.447  13.468
  347   2HD   LYS 148          HD3       LYS 148  -3.463  -5.587  12.761
  348   1HE   LYS 148          HE2       LYS 148  -1.131  -7.276  11.895
  349   2HE   LYS 148          HE3       LYS 148  -2.243  -7.756  13.177
  350   1HZ   LYS 148          HZ1       LYS 148  -2.864  -7.321  10.310
  351   2HZ   LYS 148          HZ2       LYS 148  -4.062  -7.464  11.497
  352   3HZ   LYS 148          HZ3       LYS 148  -3.006  -8.754  11.198
  353    H    GLU 149           HN       GLU 149  -4.017  -0.660  10.680
  354    HA   GLU 149           HA       GLU 149  -4.879   0.232  13.200
  355   1HB   GLU 149          HB2       GLU 149  -3.231   1.383  11.805
  356   2HB   GLU 149          HB3       GLU 149  -4.435   1.649  10.543
  357   1HG   GLU 149          HG2       GLU 149  -4.024   3.652  11.874
  358   2HG   GLU 149          HG3       GLU 149  -5.690   3.100  12.026
  359    H    TYR 150           HN       TYR 150  -6.751  -0.747  10.423
  360    HA   TYR 150           HA       TYR 150  -8.709   1.345  11.033
  361   1HB   TYR 150          HB2       TYR 150  -8.173  -0.030   8.397
  362   2HB   TYR 150          HB3       TYR 150  -9.451   1.140   8.689
  363    HD1  TYR 150           HD1      TYR 150  -8.109   3.185  10.292
  364    HD2  TYR 150           HD2      TYR 150  -6.681   0.992   6.940
  365    HE1  TYR 150           HE1      TYR 150  -6.579   5.031   9.744
  366    HE2  TYR 150           HE2      TYR 150  -5.143   2.827   6.383
  367    HH   TYR 150           HH       TYR 150  -4.838   5.165   6.764
  368    H    GLY 151           HN       GLY 151  -8.010  -1.904  11.173
  369   1HA   GLY 151          HA1       GLY 151  -9.258  -3.642  12.043
  370   2HA   GLY 151          HA2       GLY 151 -10.627  -2.544  12.164
  371    H    LEU 152           HN       LEU 152  -8.674  -3.967   9.548
  372    HA   LEU 152           HA       LEU 152 -11.134  -4.232   7.976
  373   1HB   LEU 152          HB2       LEU 152  -8.281  -4.470   7.049
  374   2HB   LEU 152          HB3       LEU 152  -9.709  -4.284   6.046
  375    HG   LEU 152           HG       LEU 152  -8.550  -2.214   7.903
  376   1HD1  LEU 152          HD11      LEU 152  -8.102  -0.973   5.838
  377   2HD1  LEU 152          HD12      LEU 152  -7.223  -2.501   5.905
  378   3HD1  LEU 152          HD13      LEU 152  -8.665  -2.355   4.900
  379   1HD2  LEU 152          HD21      LEU 152 -10.966  -2.039   7.851
  380   2HD2  LEU 152          HD22      LEU 152 -10.231  -0.702   6.967
  381   3HD2  LEU 152          HD23      LEU 152 -10.946  -2.055   6.088
  382    HA   PRO 153           HA       PRO 153 -10.526  -8.637   8.724
  383   1HB   PRO 153          HB2       PRO 153 -13.254  -9.072   7.995
  384   2HB   PRO 153          HB3       PRO 153 -12.553  -9.077   9.612
  385   1HG   PRO 153          HG2       PRO 153 -14.350  -7.194   8.664
  386   2HG   PRO 153          HG3       PRO 153 -13.265  -6.962  10.045
  387   1HD   PRO 153          HD2       PRO 153 -12.985  -6.013   7.229
  388   2HD   PRO 153          HD3       PRO 153 -12.529  -5.206   8.745
  389    H    ASP 154           HN       ASP 154 -12.550  -7.454   6.063
  390    HA   ASP 154           HA       ASP 154 -12.221  -9.776   4.472
  391   1HB   ASP 154          HB2       ASP 154 -13.176  -7.095   3.488
  392   2HB   ASP 154          HB3       ASP 154 -13.624  -8.693   2.902
  393    H    VAL 155           HN       VAL 155  -9.935  -7.472   5.009
  394    HA   VAL 155           HA       VAL 155  -9.032  -7.311   2.250
  395    HB   VAL 155           HB       VAL 155  -7.678  -6.262   4.740
  396   1HG1  VAL 155          HG11      VAL 155  -7.123  -5.756   1.814
  397   2HG1  VAL 155          HG12      VAL 155  -6.351  -4.919   3.159
  398   3HG1  VAL 155          HG13      VAL 155  -6.092  -6.650   2.933
  399   1HG2  VAL 155          HG21      VAL 155  -9.337  -4.830   2.670
  400   2HG2  VAL 155          HG22      VAL 155  -9.826  -5.173   4.329
  401   3HG2  VAL 155          HG23      VAL 155  -8.483  -4.071   4.015
  402    H    ASN 156           HN       ASN 156  -7.968  -8.928   1.389
  403    HA   ASN 156           HA       ASN 156  -6.407 -10.710   3.122
  404   1HB   ASN 156          HB2       ASN 156  -8.192 -11.520   1.392
  405   2HB   ASN 156          HB3       ASN 156  -6.931 -11.210   0.204
  406   1HD2  ASN 156          HD21      ASN 156  -6.295 -12.297   3.468
  407   2HD2  ASN 156          HD22      ASN 156  -5.718 -13.869   3.023
  408    H    ILE 157           HN       ILE 157  -4.436  -9.868   3.393
  409    HA   ILE 157           HA       ILE 157  -3.671  -7.767   1.698
  410    HB   ILE 157           HB       ILE 157  -2.057  -9.061   3.913
  411   1HG1  ILE 157          HG12      ILE 157  -3.778  -6.585   4.033
  412   2HG1  ILE 157          HG13      ILE 157  -4.285  -8.185   4.572
  413   1HG2  ILE 157          HG21      ILE 157  -1.683  -6.375   2.619
  414   2HG2  ILE 157          HG22      ILE 157  -0.831  -6.941   4.053
  415   3HG2  ILE 157          HG23      ILE 157  -0.597  -7.759   2.510
  416   1HD1  ILE 157          HD11      ILE 157  -3.443  -6.562   6.328
  417   2HD1  ILE 157          HD12      ILE 157  -2.777  -8.197   6.340
  418   3HD1  ILE 157          HD13      ILE 157  -1.842  -6.872   5.659
  419    H    LEU 158           HN       LEU 158  -2.393 -11.000   2.097
  420    HA   LEU 158           HA       LEU 158  -0.066 -10.803   0.596
  421   1HB   LEU 158          HB2       LEU 158  -0.143 -13.184   0.355
  422   2HB   LEU 158          HB3       LEU 158  -0.511 -12.679   1.987
  423    HG   LEU 158           HG       LEU 158  -2.676 -13.437   0.037
  424   1HD1  LEU 158          HD11      LEU 158  -1.230 -15.337   0.148
  425   2HD1  LEU 158          HD12      LEU 158  -1.065 -15.173   1.898
  426   3HD1  LEU 158          HD13      LEU 158  -2.613 -15.656   1.198
  427   1HD2  LEU 158          HD21      LEU 158  -2.527 -13.334   3.049
  428   2HD2  LEU 158          HD22      LEU 158  -3.391 -12.203   2.008
  429   3HD2  LEU 158          HD23      LEU 158  -3.915 -13.884   2.110
  430    H    LEU 159           HN       LEU 159  -2.795  -9.794  -0.767
  431    HA   LEU 159           HA       LEU 159  -2.541 -11.276  -3.282
  432   1HB   LEU 159          HB2       LEU 159  -4.685  -9.551  -2.092
  433   2HB   LEU 159          HB3       LEU 159  -4.571  -9.686  -3.832
  434    HG   LEU 159           HG       LEU 159  -4.971 -12.071  -3.731
  435   1HD1  LEU 159          HD11      LEU 159  -5.471 -13.197  -1.615
  436   2HD1  LEU 159          HD12      LEU 159  -3.815 -12.593  -1.664
  437   3HD1  LEU 159          HD13      LEU 159  -5.042 -11.727  -0.738
  438   1HD2  LEU 159          HD21      LEU 159  -7.256 -12.063  -2.887
  439   2HD2  LEU 159          HD22      LEU 159  -6.939 -10.569  -2.006
  440   3HD2  LEU 159          HD23      LEU 159  -6.915 -10.575  -3.770
  441    H    PHE 160           HN       PHE 160  -1.908  -8.330  -1.640
  442    HA   PHE 160           HA       PHE 160  -1.583  -6.818  -4.093
  443   1HB   PHE 160          HB2       PHE 160  -1.450  -5.985  -1.196
  444   2HB   PHE 160          HB3       PHE 160  -1.189  -4.882  -2.541
  445    HD1  PHE 160           HD1      PHE 160  -3.690  -7.110  -0.959
  446    HD2  PHE 160           HD2      PHE 160  -2.995  -3.899  -3.666
  447    HE1  PHE 160           HE1      PHE 160  -6.110  -6.686  -1.068
  448    HE2  PHE 160           HE2      PHE 160  -5.414  -3.472  -3.782
  449    HZ   PHE 160           HZ       PHE 160  -6.975  -4.863  -2.481
  450    H    GLN 161           HN       GLN 161   0.237  -8.948  -2.783
  451    HA   GLN 161           HA       GLN 161   2.551  -7.721  -1.722
  452   1HB   GLN 161          HB2       GLN 161   2.333 -10.444  -3.024
  453   2HB   GLN 161          HB3       GLN 161   3.653  -9.915  -1.997
  454   1HG   GLN 161          HG2       GLN 161   0.889  -9.891  -0.910
  455   2HG   GLN 161          HG3       GLN 161   1.727 -11.433  -1.082
  456   1HE2  GLN 161          HE21      GLN 161   0.878 -10.336   1.351
  457   2HE2  GLN 161          HE22      GLN 161   2.276 -10.026   2.310
  458    H    ASN 162           HN       ASN 162   1.563  -8.343  -4.974
  459    HA   ASN 162           HA       ASN 162   4.277  -7.769  -5.949
  460   1HB   ASN 162          HB2       ASN 162   1.960  -9.098  -7.372
  461   2HB   ASN 162          HB3       ASN 162   3.531  -8.766  -8.091
  462   1HD2  ASN 162          HD21      ASN 162   4.973  -9.415  -5.622
  463   2HD2  ASN 162          HD22      ASN 162   4.929 -11.139  -5.491
  464    H    ILE 163           HN       ILE 163   1.745  -6.094  -5.139
  465    HA   ILE 163           HA       ILE 163   1.689  -4.389  -7.537
  466    HB   ILE 163           HB       ILE 163  -0.074  -4.375  -5.067
  467   1HG1  ILE 163          HG12      ILE 163  -0.750  -5.169  -7.905
  468   2HG1  ILE 163          HG13      ILE 163  -0.452  -6.294  -6.584
  469   1HG2  ILE 163          HG21      ILE 163   0.180  -2.130  -5.977
  470   2HG2  ILE 163          HG22      ILE 163  -0.326  -2.711  -7.562
  471   3HG2  ILE 163          HG23      ILE 163  -1.460  -2.737  -6.214
  472   1HD1  ILE 163          HD11      ILE 163  -2.837  -5.979  -7.014
  473   2HD1  ILE 163          HD12      ILE 163  -2.382  -5.440  -5.395
  474   3HD1  ILE 163          HD13      ILE 163  -2.663  -4.257  -6.672
  475    H    ASP 164           HN       ASP 164   2.907  -2.691  -7.649
  476    HA   ASP 164           HA       ASP 164   4.157  -1.611  -5.264
  477   1HB   ASP 164          HB2       ASP 164   4.417  -0.379  -7.995
  478   2HB   ASP 164          HB3       ASP 164   5.584  -0.425  -6.681
  479    H    GLY 165           HN       GLY 165   4.286   0.934  -5.293
  480   1HA   GLY 165          HA1       GLY 165   1.699   1.921  -4.743
  481   2HA   GLY 165          HA2       GLY 165   3.154   2.896  -4.907
  482    H    LYS 166           HN       LYS 166   3.554   1.786  -7.632
  483    HA   LYS 166           HA       LYS 166   2.282   3.875  -9.090
  484   1HB   LYS 166          HB2       LYS 166   3.402   2.846 -11.020
  485   2HB   LYS 166          HB3       LYS 166   4.504   2.926  -9.652
  486   1HG   LYS 166          HG2       LYS 166   4.930   0.788 -10.124
  487   2HG   LYS 166          HG3       LYS 166   3.411   0.495  -9.262
  488   1HD   LYS 166          HD2       LYS 166   3.380  -0.725 -11.339
  489   2HD   LYS 166          HD3       LYS 166   2.215   0.597 -11.437
  490   1HE   LYS 166          HE2       LYS 166   3.748   1.907 -12.759
  491   2HE   LYS 166          HE3       LYS 166   5.016   0.700 -12.552
  492   1HZ   LYS 166          HZ1       LYS 166   3.579  -0.891 -13.739
  493   2HZ   LYS 166          HZ2       LYS 166   4.035   0.434 -14.694
  494   3HZ   LYS 166          HZ3       LYS 166   2.470   0.355 -14.045
  495    H    GLU 167           HN       GLU 167   1.636   0.615  -8.324
  496    HA   GLU 167           HA       GLU 167  -0.451   0.407 -10.360
  497   1HB   GLU 167          HB2       GLU 167   1.241  -1.421 -10.063
  498   2HB   GLU 167          HB3       GLU 167   0.543  -1.736  -8.480
  499   1HG   GLU 167          HG2       GLU 167  -0.342  -3.299 -10.050
  500   2HG   GLU 167          HG3       GLU 167  -1.624  -2.186  -9.575
  501    H    LEU 168           HN       LEU 168  -0.019   0.797  -6.911
  502    HA   LEU 168           HA       LEU 168  -2.787   0.170  -6.397
  503   1HB   LEU 168          HB2       LEU 168  -0.984  -0.461  -4.795
  504   2HB   LEU 168          HB3       LEU 168  -0.668   1.240  -4.523
  505    HG   LEU 168           HG       LEU 168  -3.114   1.391  -3.767
  506   1HD1  LEU 168          HD11      LEU 168  -2.720  -1.590  -3.626
  507   2HD1  LEU 168          HD12      LEU 168  -4.039  -0.697  -2.865
  508   3HD1  LEU 168          HD13      LEU 168  -3.890  -0.726  -4.623
  509   1HD2  LEU 168          HD21      LEU 168  -1.157   1.520  -2.278
  510   2HD2  LEU 168          HD22      LEU 168  -2.548   0.745  -1.516
  511   3HD2  LEU 168          HD23      LEU 168  -1.205  -0.235  -2.100
  512    H    CYS 169           HN       CYS 169  -0.840   3.118  -6.670
  513    HA   CYS 169           HA       CYS 169  -3.081   4.577  -5.657
  514   1HB   CYS 169          HB2       CYS 169  -0.843   5.496  -5.245
  515   2HB   CYS 169          HB3       CYS 169  -0.555   5.610  -6.980
  516    HG   CYS 169           HG       CYS 169  -2.915   7.423  -7.119
  517    H    LYS 170           HN       LYS 170  -2.386   3.067  -8.500
  518    HA   LYS 170           HA       LYS 170  -4.233   4.784 -10.045
  519   1HB   LYS 170          HB2       LYS 170  -2.195   2.765 -11.019
  520   2HB   LYS 170          HB3       LYS 170  -3.376   3.568 -12.044
  521   1HG   LYS 170          HG2       LYS 170  -2.350   5.742 -11.436
  522   2HG   LYS 170          HG3       LYS 170  -1.104   4.857 -10.549
  523   1HD   LYS 170          HD2       LYS 170  -0.466   3.696 -12.609
  524   2HD   LYS 170          HD3       LYS 170  -1.705   4.588 -13.495
  525   1HE   LYS 170          HE2       LYS 170  -0.569   6.697 -12.871
  526   2HE   LYS 170          HE3       LYS 170   0.705   5.746 -12.103
  527   1HZ   LYS 170          HZ1       LYS 170  -0.036   5.648 -14.980
  528   2HZ   LYS 170          HZ2       LYS 170   1.193   4.736 -14.242
  529   3HZ   LYS 170          HZ3       LYS 170   1.328   6.424 -14.332
  530    H    MET 171           HN       MET 171  -4.772   2.850  -7.939
  531    HA   MET 171           HA       MET 171  -6.284   0.764  -9.313
  532   1HB   MET 171          HB2       MET 171  -5.986   1.493  -6.409
  533   2HB   MET 171          HB3       MET 171  -7.039   0.214  -6.993
  534   1HG   MET 171          HG2       MET 171  -4.127   0.239  -7.652
  535   2HG   MET 171          HG3       MET 171  -4.719  -0.380  -6.119
  536   1HE   MET 171          HE1       MET 171  -7.321  -1.852  -6.618
  537   2HE   MET 171          HE2       MET 171  -6.781  -3.471  -7.064
  538   3HE   MET 171          HE3       MET 171  -5.959  -2.590  -5.775
  539    H    THR 172           HN       THR 172  -8.517   0.840  -9.545
  540    HA   THR 172           HA       THR 172  -9.835   3.339  -8.805
  541    HB   THR 172           HB       THR 172 -11.741   2.315 -10.160
  542    HG1  THR 172           HG1      THR 172  -9.975   0.738 -11.566
  543   1HG2  THR 172          HG21      THR 172 -10.761   2.959 -12.296
  544   2HG2  THR 172          HG22      THR 172  -9.142   2.856 -11.601
  545   3HG2  THR 172          HG23      THR 172 -10.271   4.087 -11.032
  546    H    LYS 173           HN       LYS 173 -12.095   3.090  -7.934
  547    HA   LYS 173           HA       LYS 173 -12.045   1.495  -5.596
  548   1HB   LYS 173          HB2       LYS 173 -14.224   2.337  -5.095
  549   2HB   LYS 173          HB3       LYS 173 -13.277   3.650  -5.771
  550   1HG   LYS 173          HG2       LYS 173 -15.122   2.040  -7.484
  551   2HG   LYS 173          HG3       LYS 173 -15.719   3.376  -6.503
  552   1HD   LYS 173          HD2       LYS 173 -14.039   4.846  -7.619
  553   2HD   LYS 173          HD3       LYS 173 -13.641   3.497  -8.684
  554   1HE   LYS 173          HE2       LYS 173 -15.215   5.005  -9.761
  555   2HE   LYS 173          HE3       LYS 173 -15.958   3.434  -9.468
  556   1HZ   LYS 173          HZ1       LYS 173 -16.333   5.852  -7.776
  557   2HZ   LYS 173          HZ2       LYS 173 -17.075   4.348  -7.535
  558   3HZ   LYS 173          HZ3       LYS 173 -17.444   5.264  -8.912
  559    H    ASP 174           HN       ASP 174 -12.423   0.464  -8.656
  560    HA   ASP 174           HA       ASP 174 -14.598  -1.432  -8.119
  561   1HB   ASP 174          HB2       ASP 174 -14.915  -0.148 -10.174
  562   2HB   ASP 174          HB3       ASP 174 -13.293  -0.560 -10.717
  563    H    ASP 175           HN       ASP 175 -11.240  -1.006  -8.874
  564    HA   ASP 175           HA       ASP 175 -10.629  -3.779  -9.384
  565   1HB   ASP 175          HB2       ASP 175  -9.355  -1.635 -10.173
  566   2HB   ASP 175          HB3       ASP 175  -8.621  -1.686  -8.576
  567    H    PHE 176           HN       PHE 176 -10.737  -1.779  -6.490
  568    HA   PHE 176           HA       PHE 176  -9.341  -3.824  -5.011
  569   1HB   PHE 176          HB2       PHE 176 -11.001  -1.452  -4.095
  570   2HB   PHE 176          HB3       PHE 176 -10.424  -2.652  -2.954
  571    HD1  PHE 176           HD1      PHE 176  -9.461   0.058  -5.211
  572    HD2  PHE 176           HD2      PHE 176  -8.142  -2.691  -2.241
  573    HE1  PHE 176           HE1      PHE 176  -7.346   1.291  -5.016
  574    HE2  PHE 176           HE2      PHE 176  -6.029  -1.454  -2.035
  575    HZ   PHE 176           HZ       PHE 176  -5.695   0.612  -3.240
  576    H    GLN 177           HN       GLN 177 -12.536  -3.414  -6.119
  577    HA   GLN 177           HA       GLN 177 -13.789  -4.867  -4.021
  578   1HB   GLN 177          HB2       GLN 177 -14.749  -4.355  -6.832
  579   2HB   GLN 177          HB3       GLN 177 -15.735  -4.924  -5.496
  580   1HG   GLN 177          HG2       GLN 177 -15.264  -2.835  -4.298
  581   2HG   GLN 177          HG3       GLN 177 -14.349  -2.279  -5.700
  582   1HE2  GLN 177          HE21      GLN 177 -17.486  -2.900  -4.396
  583   2HE2  GLN 177          HE22      GLN 177 -18.389  -2.171  -5.682
  584    H    ARG 178           HN       ARG 178 -11.656  -5.960  -6.315
  585    HA   ARG 178           HA       ARG 178 -13.003  -8.566  -6.549
  586   1HB   ARG 178          HB2       ARG 178 -11.377  -9.120  -8.297
  587   2HB   ARG 178          HB3       ARG 178 -12.279  -7.666  -8.697
  588   1HG   ARG 178          HG2       ARG 178 -10.391  -6.290  -8.060
  589   2HG   ARG 178          HG3       ARG 178  -9.491  -7.725  -7.559
  590   1HD   ARG 178          HD2       ARG 178  -9.415  -8.545  -9.799
  591   2HD   ARG 178          HD3       ARG 178 -10.530  -7.299 -10.352
  592    HE   ARG 178           HE       ARG 178  -8.524  -5.793  -9.469
  593   1HH1  ARG 178          HH12      ARG 178  -8.401  -8.741 -11.368
  594   2HH1  ARG 178          HH11      ARG 178  -7.013  -8.240 -12.286
  595   1HH2  ARG 178          HH22      ARG 178  -6.723  -5.128 -10.677
  596   2HH2  ARG 178          HH21      ARG 178  -6.036  -6.190 -11.876
  597    H    LEU 179           HN       LEU 179 -10.888  -6.979  -4.651
  598    HA   LEU 179           HA       LEU 179  -9.675  -9.504  -3.739
  599   1HB   LEU 179          HB2       LEU 179  -8.460  -6.755  -3.430
  600   2HB   LEU 179          HB3       LEU 179  -7.703  -8.294  -3.082
  601    HG   LEU 179           HG       LEU 179  -8.439  -7.314  -5.845
  602   1HD1  LEU 179          HD11      LEU 179  -5.760  -7.493  -4.478
  603   2HD1  LEU 179          HD12      LEU 179  -6.022  -7.095  -6.176
  604   3HD1  LEU 179          HD13      LEU 179  -6.617  -6.013  -4.916
  605   1HD2  LEU 179          HD21      LEU 179  -6.858  -9.731  -4.983
  606   2HD2  LEU 179          HD22      LEU 179  -8.495  -9.753  -5.641
  607   3HD2  LEU 179          HD23      LEU 179  -7.148  -9.212  -6.643
  608    H    THR 180           HN       THR 180 -11.334  -6.576  -3.080
  609    HA   THR 180           HA       THR 180 -12.189  -7.403  -0.467
  610    HB   THR 180           HB       THR 180 -10.452  -4.933  -0.757
  611    HG1  THR 180           HG1      THR 180  -9.829  -7.463  -0.177
  612   1HG2  THR 180          HG21      THR 180 -12.304  -4.528   0.748
  613   2HG2  THR 180          HG22      THR 180 -10.802  -4.679   1.663
  614   3HG2  THR 180          HG23      THR 180 -11.950  -6.019   1.623
  615    HA   PRO 181           HA       PRO 181 -15.402  -5.333  -2.771
  616   1HB   PRO 181          HB2       PRO 181 -17.473  -5.951  -1.137
  617   2HB   PRO 181          HB3       PRO 181 -16.707  -7.130  -2.208
  618   1HG   PRO 181          HG2       PRO 181 -16.265  -6.670   0.720
  619   2HG   PRO 181          HG3       PRO 181 -16.473  -8.201  -0.152
  620   1HD   PRO 181          HD2       PRO 181 -14.044  -7.276   0.571
  621   2HD   PRO 181          HD3       PRO 181 -14.296  -8.206  -0.920
  622    H    SER 182           HN       SER 182 -17.456  -3.994  -2.152
  623    HA   SER 182           HA       SER 182 -16.716  -1.489  -1.211
  624   1HB   SER 182          HB2       SER 182 -19.506  -2.667  -1.148
  625   2HB   SER 182          HB3       SER 182 -19.083  -0.957  -1.217
  626    HG   SER 182           HG       SER 182 -18.773  -1.119  -3.288
  627    H    TYR 183           HN       TYR 183 -15.816  -1.316   0.753
  628    HA   TYR 183           HA       TYR 183 -17.179  -1.288   3.142
  629   1HB   TYR 183          HB2       TYR 183 -17.321  -3.812   2.552
  630   2HB   TYR 183          HB3       TYR 183 -15.611  -3.850   2.945
  631    HD1  TYR 183           HD1      TYR 183 -14.902  -4.022   5.197
  632    HD2  TYR 183           HD2      TYR 183 -18.961  -3.108   4.331
  633    HE1  TYR 183           HE1      TYR 183 -15.478  -4.367   7.562
  634    HE2  TYR 183           HE2      TYR 183 -19.549  -3.444   6.692
  635    HH   TYR 183           HH       TYR 183 -17.183  -3.739   9.157
  636    H    ASN 184           HN       ASN 184 -14.143  -2.918   2.256
  637    HA   ASN 184           HA       ASN 184 -12.665  -0.997   3.891
  638   1HB   ASN 184          HB2       ASN 184 -11.761  -3.624   2.693
  639   2HB   ASN 184          HB3       ASN 184 -10.823  -2.614   3.787
  640   1HD2  ASN 184          HD21      ASN 184 -11.847  -5.402   3.976
  641   2HD2  ASN 184          HD22      ASN 184 -12.727  -5.457   5.460
  642    H    ALA 185           HN       ALA 185 -13.311  -1.915   0.642
  643    HA   ALA 185           HA       ALA 185 -11.064  -1.013  -0.757
  644   1HB   ALA 185          HB1       ALA 185 -13.988  -0.768  -1.466
  645   2HB   ALA 185          HB2       ALA 185 -12.639  -0.557  -2.585
  646   3HB   ALA 185          HB3       ALA 185 -12.933  -2.131  -1.844
  647    H    ASP 186           HN       ASP 186 -14.020   0.698   0.221
  648    HA   ASP 186           HA       ASP 186 -13.207   3.324  -0.453
  649   1HB   ASP 186          HB2       ASP 186 -15.085   2.429   1.751
  650   2HB   ASP 186          HB3       ASP 186 -14.989   4.049   1.067
  651    H    ILE 187           HN       ILE 187 -12.992   1.812   2.793
  652    HA   ILE 187           HA       ILE 187 -11.749   3.847   4.081
  653    HB   ILE 187           HB       ILE 187 -11.038   0.908   4.332
  654   1HG1  ILE 187          HG12      ILE 187 -13.070   2.613   5.804
  655   2HG1  ILE 187          HG13      ILE 187 -13.444   1.386   4.600
  656   1HG2  ILE 187          HG21      ILE 187 -10.319   1.491   6.597
  657   2HG2  ILE 187          HG22      ILE 187  -9.371   2.342   5.378
  658   3HG2  ILE 187          HG23      ILE 187 -10.635   3.193   6.263
  659   1HD1  ILE 187          HD11      ILE 187 -13.823   0.579   6.861
  660   2HD1  ILE 187          HD12      ILE 187 -12.542  -0.334   6.060
  661   3HD1  ILE 187          HD13      ILE 187 -12.135   0.891   7.261
  662    H    LEU 188           HN       LEU 188  -9.932   1.207   2.499
  663    HA   LEU 188           HA       LEU 188  -7.393   2.262   2.801
  664   1HB   LEU 188          HB2       LEU 188  -8.429   0.602   0.521
  665   2HB   LEU 188          HB3       LEU 188  -6.741   0.890   0.897
  666    HG   LEU 188           HG       LEU 188  -8.675  -0.510   2.743
  667   1HD1  LEU 188          HD11      LEU 188  -8.309  -1.815   0.713
  668   2HD1  LEU 188          HD12      LEU 188  -6.564  -1.664   0.922
  669   3HD1  LEU 188          HD13      LEU 188  -7.519  -2.563   2.101
  670   1HD2  LEU 188          HD21      LEU 188  -6.812   0.596   3.875
  671   2HD2  LEU 188          HD22      LEU 188  -6.664  -1.160   3.952
  672   3HD2  LEU 188          HD23      LEU 188  -5.671  -0.240   2.821
  673    H    LEU 189           HN       LEU 189  -9.597   2.663   0.010
  674    HA   LEU 189           HA       LEU 189  -7.680   3.973  -1.628
  675   1HB   LEU 189          HB2       LEU 189  -9.852   2.805  -2.285
  676   2HB   LEU 189          HB3       LEU 189 -10.655   4.294  -1.831
  677    HG   LEU 189           HG       LEU 189  -9.302   5.515  -3.503
  678   1HD1  LEU 189          HD11      LEU 189  -7.367   3.975  -3.496
  679   2HD1  LEU 189          HD12      LEU 189  -8.349   2.777  -4.335
  680   3HD1  LEU 189          HD13      LEU 189  -7.968   4.309  -5.121
  681   1HD2  LEU 189          HD21      LEU 189 -11.525   4.678  -4.080
  682   2HD2  LEU 189          HD22      LEU 189 -10.445   4.638  -5.474
  683   3HD2  LEU 189          HD23      LEU 189 -10.817   3.150  -4.603
  684    H    SER 190           HN       SER 190 -10.434   5.233   0.277
  685    HA   SER 190           HA       SER 190  -9.989   7.928  -0.188
  686   1HB   SER 190          HB2       SER 190 -11.051   6.689   2.360
  687   2HB   SER 190          HB3       SER 190 -11.332   8.339   1.797
  688    HG   SER 190           HG       SER 190 -12.418   5.925   0.905
  689    H    HIS 191           HN       HIS 191  -8.398   5.750   2.065
  690    HA   HIS 191           HA       HIS 191  -7.061   7.828   3.511
  691   1HB   HIS 191          HB2       HIS 191  -6.859   4.856   3.374
  692   2HB   HIS 191          HB3       HIS 191  -5.509   5.745   4.067
  693    HD2  HIS 191           HD2      HIS 191  -6.526   7.616   6.186
  694    HE1  HIS 191           HE1      HIS 191  -9.495   4.788   7.229
  695    HE2  HIS 191           HE2      HIS 191  -8.091   6.725   8.060
  696    H    LEU 192           HN       LEU 192  -6.213   5.707   0.826
  697    HA   LEU 192           HA       LEU 192  -3.532   6.456   0.624
  698   1HB   LEU 192          HB2       LEU 192  -4.928   4.545  -0.502
  699   2HB   LEU 192          HB3       LEU 192  -5.133   5.713  -1.793
  700    HG   LEU 192           HG       LEU 192  -2.481   5.859  -1.523
  701   1HD1  LEU 192          HD11      LEU 192  -1.556   3.640  -1.137
  702   2HD1  LEU 192          HD12      LEU 192  -2.387   4.255   0.291
  703   3HD1  LEU 192          HD13      LEU 192  -3.163   3.039  -0.724
  704   1HD2  LEU 192          HD21      LEU 192  -2.311   4.268  -3.381
  705   2HD2  LEU 192          HD22      LEU 192  -3.975   3.761  -3.083
  706   3HD2  LEU 192          HD23      LEU 192  -3.633   5.417  -3.594
  707    H    HIS 193           HN       HIS 193  -6.435   7.673  -0.927
  708    HA   HIS 193           HA       HIS 193  -5.090   9.581  -2.572
  709   1HB   HIS 193          HB2       HIS 193  -7.977   9.119  -1.898
  710   2HB   HIS 193          HB3       HIS 193  -7.477  10.534  -2.818
  711    HD2  HIS 193           HD2      HIS 193  -8.417   6.930  -3.385
  712    HE1  HIS 193           HE1      HIS 193  -6.357   8.212  -6.851
  713    HE2  HIS 193           HE2      HIS 193  -7.989   6.519  -5.915
  714    H    TYR 194           HN       TYR 194  -5.647   9.565   0.718
  715    HA   TYR 194           HA       TYR 194  -5.940  12.479   0.860
  716   1HB   TYR 194          HB2       TYR 194  -7.467  11.299   2.330
  717   2HB   TYR 194          HB3       TYR 194  -6.150  10.338   2.995
  718    HD1  TYR 194           HD1      TYR 194  -7.576  13.749   2.828
  719    HD2  TYR 194           HD2      TYR 194  -4.836  11.154   4.797
  720    HE1  TYR 194           HE1      TYR 194  -7.283  15.418   4.606
  721    HE2  TYR 194           HE2      TYR 194  -4.535  12.820   6.581
  722    HH   TYR 194           HH       TYR 194  -4.785  15.358   6.795
  723    H    LEU 195           HN       LEU 195  -3.953   9.759   1.948
  724    HA   LEU 195           HA       LEU 195  -1.928  11.023   3.286
  725   1HB   LEU 195          HB2       LEU 195  -2.064   8.573   1.564
  726   2HB   LEU 195          HB3       LEU 195  -0.592   9.019   2.386
  727    HG   LEU 195           HG       LEU 195  -3.228   8.389   3.709
  728   1HD1  LEU 195          HD11      LEU 195  -0.633   6.860   3.643
  729   2HD1  LEU 195          HD12      LEU 195  -2.081   6.410   4.543
  730   3HD1  LEU 195          HD13      LEU 195  -2.108   6.427   2.780
  731   1HD2  LEU 195          HD21      LEU 195  -0.548   9.047   4.926
  732   2HD2  LEU 195          HD22      LEU 195  -1.977  10.080   4.950
  733   3HD2  LEU 195          HD23      LEU 195  -1.989   8.538   5.807
  734    H    ARG 196           HN       ARG 196  -2.111  10.298  -0.171
  735    HA   ARG 196           HA       ARG 196   0.442  10.848  -0.964
  736   1HB   ARG 196          HB2       ARG 196  -1.482   9.881  -2.232
  737   2HB   ARG 196          HB3       ARG 196  -1.903  11.536  -2.669
  738   1HG   ARG 196          HG2       ARG 196   0.360  11.796  -3.624
  739   2HG   ARG 196          HG3       ARG 196   0.679  10.099  -3.251
  740   1HD   ARG 196          HD2       ARG 196  -0.008   9.956  -5.436
  741   2HD   ARG 196          HD3       ARG 196  -1.528   9.699  -4.575
  742    HE   ARG 196           HE       ARG 196  -0.700  12.285  -5.750
  743   1HH1  ARG 196          HH12      ARG 196  -3.165   9.942  -4.906
  744   2HH1  ARG 196          HH11      ARG 196  -4.480  10.922  -5.461
  745   1HH2  ARG 196          HH22      ARG 196  -2.413  13.584  -6.490
  746   2HH2  ARG 196          HH21      ARG 196  -4.046  13.011  -6.371
  747    H    GLU 197           HN       GLU 197  -2.016  13.159  -0.106
  748    HA   GLU 197           HA       GLU 197  -1.066  15.226  -1.894
  749   1HB   GLU 197          HB2       GLU 197  -3.263  15.212   0.178
  750   2HB   GLU 197          HB3       GLU 197  -2.931  16.548  -0.916
  751   1HG   GLU 197          HG2       GLU 197  -3.469  13.821  -2.008
  752   2HG   GLU 197          HG3       GLU 197  -4.802  14.845  -1.478
  753    H    THR 198           HN       THR 198   0.683  14.296   0.364
  754    HA   THR 198           HA       THR 198   0.981  16.936   1.614
  755    HB   THR 198           HB       THR 198   2.136  15.616   3.543
  756    HG1  THR 198           HG1      THR 198   0.318  13.642   2.564
  757   1HG2  THR 198          HG21      THR 198   0.126  16.975   3.792
  758   2HG2  THR 198          HG22      THR 198  -0.022  15.476   4.710
  759   3HG2  THR 198          HG23      THR 198  -0.859  15.652   3.169
  760    HA   PRO 199           HA       PRO 199   5.444  15.753   0.947
  761   1HB   PRO 199          HB2       PRO 199   6.223  13.190   0.490
  762   2HB   PRO 199          HB3       PRO 199   5.880  13.830   2.098
  763   1HG   PRO 199          HG2       PRO 199   4.393  11.868   0.570
  764   2HG   PRO 199          HG3       PRO 199   4.175  12.359   2.255
  765   1HD   PRO 199          HD2       PRO 199   2.702  13.211  -0.139
  766   2HD   PRO 199          HD3       PRO 199   2.256  13.372   1.572
  767    H    LEU 200           HN       LEU 200   4.879  12.950  -1.086
  768    HA   LEU 200           HA       LEU 200   5.867  14.416  -3.392
  769   1HB   LEU 200          HB2       LEU 200   5.610  11.516  -2.671
  770   2HB   LEU 200          HB3       LEU 200   5.632  11.957  -4.371
  771    HG   LEU 200           HG       LEU 200   7.847  11.343  -3.708
  772   1HD1  LEU 200          HD11      LEU 200   9.088  13.395  -4.223
  773   2HD1  LEU 200          HD12      LEU 200   7.702  13.166  -5.291
  774   3HD1  LEU 200          HD13      LEU 200   7.617  14.335  -3.973
  775   1HD2  LEU 200          HD21      LEU 200   9.061  12.520  -1.939
  776   2HD2  LEU 200          HD22      LEU 200   7.603  13.429  -1.544
  777   3HD2  LEU 200          HD23      LEU 200   7.642  11.681  -1.313
  778    HA   PRO 201           HA       PRO 201   1.755  15.177  -4.704
  779   1HB   PRO 201          HB2       PRO 201   2.276  15.972  -7.247
  780   2HB   PRO 201          HB3       PRO 201   2.617  16.972  -5.832
  781   1HG   PRO 201          HG2       PRO 201   4.476  15.279  -7.450
  782   2HG   PRO 201          HG3       PRO 201   4.736  16.895  -6.769
  783   1HD   PRO 201          HD2       PRO 201   5.707  14.634  -5.622
  784   2HD   PRO 201          HD3       PRO 201   5.260  16.077  -4.692
  Start of MODEL   14
    1   1H    GLY 105           H1       GLY 105  14.297  -1.878  12.897
    2   2H    GLY 105           H2       GLY 105  13.568  -3.296  12.322
    3   3H    GLY 105           H3       GLY 105  12.985  -1.784  11.832
    4   1HA   GLY 105          HA2       GLY 105  14.357  -2.948  10.136
    5   2HA   GLY 105          HA1       GLY 105  14.880  -1.321  10.552
    6    H    SER 106           HN       SER 106  16.653  -2.936   9.359
    7    HA   SER 106           HA       SER 106  18.824  -3.549   9.491
    8   1HB   SER 106          HB2       SER 106  19.048  -1.600  11.016
    9   2HB   SER 106          HB3       SER 106  18.689  -2.653  12.382
   10    HG   SER 106           HG       SER 106  20.616  -3.582  12.215
   11    H    HIS 107           HN       HIS 107  20.207  -5.256  10.199
   12    HA   HIS 107           HA       HIS 107  20.698  -7.358  10.878
   13   1HB   HIS 107          HB2       HIS 107  18.919  -6.554  13.183
   14   2HB   HIS 107          HB3       HIS 107  19.841  -8.051  13.144
   15    HD2  HIS 107           HD2      HIS 107  22.503  -7.839  13.732
   16    HE1  HIS 107           HE1      HIS 107  22.502  -3.645  14.277
   17    HE2  HIS 107           HE2      HIS 107  23.749  -5.801  14.742
   18    H    MET 108           HN       MET 108  18.956  -7.372   8.895
   19    HA   MET 108           HA       MET 108  17.239  -9.654   9.537
   20   1HB   MET 108          HB2       MET 108  16.358  -7.082   8.249
   21   2HB   MET 108          HB3       MET 108  15.514  -8.592   7.932
   22   1HG   MET 108          HG2       MET 108  15.943  -7.443  10.676
   23   2HG   MET 108          HG3       MET 108  14.494  -7.185   9.706
   24   1HE   MET 108          HE1       MET 108  14.118  -9.994   8.283
   25   2HE   MET 108          HE2       MET 108  13.043 -10.812   9.418
   26   3HE   MET 108          HE3       MET 108  12.793  -9.108   9.037
   27    H    GLU 109           HN       GLU 109  16.123 -10.157   7.152
   28    HA   GLU 109           HA       GLU 109  18.305 -11.025   5.531
   29   1HB   GLU 109          HB2       GLU 109  15.310 -11.134   5.241
   30   2HB   GLU 109          HB3       GLU 109  16.368 -11.650   3.935
   31   1HG   GLU 109          HG2       GLU 109  15.576 -13.513   5.333
   32   2HG   GLU 109          HG3       GLU 109  17.330 -13.365   5.311
   33    H    GLU 110           HN       GLU 110  15.618  -8.757   4.956
   34    HA   GLU 110           HA       GLU 110  15.364  -7.000   3.540
   35   1HB   GLU 110          HB2       GLU 110  17.151  -6.208   5.141
   36   2HB   GLU 110          HB3       GLU 110  18.335  -6.623   3.910
   37   1HG   GLU 110          HG2       GLU 110  17.441  -4.995   2.406
   38   2HG   GLU 110          HG3       GLU 110  16.086  -4.671   3.489
   39    H    LYS 111           HN       LYS 111  15.133  -8.921   1.954
   40    HA   LYS 111           HA       LYS 111  17.008  -8.457  -0.264
   41   1HB   LYS 111          HB2       LYS 111  17.269 -10.719   0.764
   42   2HB   LYS 111          HB3       LYS 111  15.592 -11.058   0.353
   43   1HG   LYS 111          HG2       LYS 111  16.089 -10.862  -2.002
   44   2HG   LYS 111          HG3       LYS 111  17.752 -10.400  -1.638
   45   1HD   LYS 111          HD2       LYS 111  17.685 -12.724  -2.273
   46   2HD   LYS 111          HD3       LYS 111  18.086 -12.598  -0.559
   47   1HE   LYS 111          HE2       LYS 111  15.788 -13.118   0.035
   48   2HE   LYS 111          HE3       LYS 111  15.342 -13.179  -1.670
   49   1HZ   LYS 111          HZ1       LYS 111  15.683 -15.391  -0.826
   50   2HZ   LYS 111          HZ2       LYS 111  17.237 -14.991  -0.281
   51   3HZ   LYS 111          HZ3       LYS 111  16.905 -15.026  -1.942
   52    H    HIS 112           HN       HIS 112  16.132  -8.319  -2.318
   53    HA   HIS 112           HA       HIS 112  14.605  -7.935  -3.950
   54   1HB   HIS 112          HB2       HIS 112  12.690  -9.238  -2.012
   55   2HB   HIS 112          HB3       HIS 112  12.193  -8.646  -3.594
   56    HD2  HIS 112           HD2      HIS 112  13.855  -9.892  -5.730
   57    HE1  HIS 112           HE1      HIS 112  14.037 -13.466  -3.477
   58    HE2  HIS 112           HE2      HIS 112  14.573 -12.382  -5.707
   59    H    MET 113           HN       MET 113  14.077  -6.751  -0.754
   60    HA   MET 113           HA       MET 113  12.211  -4.708  -1.320
   61   1HB   MET 113          HB2       MET 113  14.392  -4.838   0.783
   62   2HB   MET 113          HB3       MET 113  13.100  -3.645   0.755
   63   1HG   MET 113          HG2       MET 113  11.447  -5.342   1.113
   64   2HG   MET 113          HG3       MET 113  12.658  -6.614   0.953
   65   1HE   MET 113          HE1       MET 113  11.617  -6.680   4.764
   66   2HE   MET 113          HE2       MET 113  10.567  -6.242   3.416
   67   3HE   MET 113          HE3       MET 113  11.676  -7.603   3.263
   68    HA   PRO 114           HA       PRO 114  14.902  -2.264  -3.919
   69   1HB   PRO 114          HB2       PRO 114  12.722  -0.292  -3.679
   70   2HB   PRO 114          HB3       PRO 114  13.384  -1.060  -5.124
   71   1HG   PRO 114          HG2       PRO 114  10.961  -1.709  -4.200
   72   2HG   PRO 114          HG3       PRO 114  12.034  -2.928  -4.914
   73   1HD   PRO 114          HD2       PRO 114  11.471  -2.354  -2.027
   74   2HD   PRO 114          HD3       PRO 114  11.617  -3.921  -2.856
   75    HA   PRO 115           HA       PRO 115  16.967   0.275  -0.833
   76   1HB   PRO 115          HB2       PRO 115  18.108   1.857  -2.887
   77   2HB   PRO 115          HB3       PRO 115  18.863   0.502  -2.047
   78   1HG   PRO 115          HG2       PRO 115  17.520   0.576  -4.690
   79   2HG   PRO 115          HG3       PRO 115  18.851  -0.450  -4.129
   80   1HD   PRO 115          HD2       PRO 115  16.364  -1.407  -4.439
   81   2HD   PRO 115          HD3       PRO 115  17.419  -1.966  -3.123
   82    HA   PRO 116           HA       PRO 116  14.108   3.342   0.171
   83   1HB   PRO 116          HB2       PRO 116  16.527   5.113   0.161
   84   2HB   PRO 116          HB3       PRO 116  15.206   5.028   1.334
   85   1HG   PRO 116          HG2       PRO 116  17.559   3.798   1.756
   86   2HG   PRO 116          HG3       PRO 116  16.024   3.118   2.321
   87   1HD   PRO 116          HD2       PRO 116  17.805   2.163   0.202
   88   2HD   PRO 116          HD3       PRO 116  16.475   1.318   1.016
   89    H    ASN 117           HN       ASN 117  12.817   3.781  -1.488
   90    HA   ASN 117           HA       ASN 117  13.605   5.238  -3.839
   91   1HB   ASN 117          HB2       ASN 117  11.203   3.868  -2.825
   92   2HB   ASN 117          HB3       ASN 117  10.842   5.292  -3.803
   93   1HD2  ASN 117          HD21      ASN 117  12.155   2.082  -3.751
   94   2HD2  ASN 117          HD22      ASN 117  12.296   1.887  -5.461
   95    H    MET 118           HN       MET 118  13.557   6.342  -0.930
   96    HA   MET 118           HA       MET 118  12.693   8.992  -1.404
   97   1HB   MET 118          HB2       MET 118  10.708   9.013   0.011
   98   2HB   MET 118          HB3       MET 118  10.475   7.872  -1.308
   99   1HG   MET 118          HG2       MET 118  11.367   7.074   1.453
  100   2HG   MET 118          HG3       MET 118   9.686   7.087   0.925
  101   1HE   MET 118          HE1       MET 118  10.015   4.452   1.946
  102   2HE   MET 118          HE2       MET 118  11.062   3.280   1.147
  103   3HE   MET 118          HE3       MET 118  11.768   4.633   2.032
  104    H    THR 119           HN       THR 119  12.519  10.173   0.739
  105    HA   THR 119           HA       THR 119  13.872   8.798   2.958
  106    HB   THR 119           HB       THR 119  15.541  10.250   1.866
  107    HG1  THR 119           HG1      THR 119  14.571  11.039   4.418
  108   1HG2  THR 119          HG21      THR 119  14.032  11.897   0.875
  109   2HG2  THR 119          HG22      THR 119  15.265  12.686   1.860
  110   3HG2  THR 119          HG23      THR 119  13.624  12.501   2.481
  111    H    THR 120           HN       THR 120  11.101   9.513   2.127
  112    HA   THR 120           HA       THR 120  10.318  11.647   3.948
  113    HB   THR 120           HB       THR 120   8.332  10.229   2.250
  114    HG1  THR 120           HG1      THR 120  10.261  12.042   1.161
  115   1HG2  THR 120          HG21      THR 120   7.686  12.164   3.612
  116   2HG2  THR 120          HG22      THR 120   7.515  12.512   1.891
  117   3HG2  THR 120          HG23      THR 120   8.892  13.150   2.787
  118    H    ASN 121           HN       ASN 121   8.129  11.309   4.983
  119    HA   ASN 121           HA       ASN 121   6.742  10.340   6.450
  120   1HB   ASN 121          HB2       ASN 121   6.553   8.577   4.577
  121   2HB   ASN 121          HB3       ASN 121   7.631   7.592   5.565
  122   1HD2  ASN 121          HD21      ASN 121   5.842   6.097   5.640
  123   2HD2  ASN 121          HD22      ASN 121   4.555   6.350   6.769
  124    H    GLU 122           HN       GLU 122   9.015   7.649   6.622
  125    HA   GLU 122           HA       GLU 122  10.407   6.904   8.247
  126   1HB   GLU 122          HB2       GLU 122  11.572   9.026   7.888
  127   2HB   GLU 122          HB3       GLU 122  10.513   9.816   9.047
  128   1HG   GLU 122          HG2       GLU 122  11.378   8.279  10.796
  129   2HG   GLU 122          HG3       GLU 122  12.526   7.654   9.613
  130    H    ARG 123           HN       ARG 123  10.226   5.951  10.207
  131    HA   ARG 123           HA       ARG 123   9.408   5.319  12.222
  132   1HB   ARG 123          HB2       ARG 123   9.001   8.296  12.405
  133   2HB   ARG 123          HB3       ARG 123   8.644   7.214  13.745
  134   1HG   ARG 123          HG2       ARG 123  10.924   6.514  13.878
  135   2HG   ARG 123          HG3       ARG 123  11.329   7.384  12.398
  136   1HD   ARG 123          HD2       ARG 123  10.271   8.740  14.870
  137   2HD   ARG 123          HD3       ARG 123  11.991   8.503  14.563
  138    HE   ARG 123           HE       ARG 123  11.671   9.851  12.508
  139   1HH1  ARG 123          HH12      ARG 123   9.310  10.106  15.084
  140   2HH1  ARG 123          HH11      ARG 123   8.857  11.732  14.674
  141   1HH2  ARG 123          HH22      ARG 123  11.102  11.978  11.978
  142   2HH2  ARG 123          HH21      ARG 123   9.887  12.809  12.909
  143    H    ARG 124           HN       ARG 124   7.573   5.581   9.857
  144    HA   ARG 124           HA       ARG 124   5.132   4.989  11.346
  145   1HB   ARG 124          HB2       ARG 124   5.162   6.763   8.887
  146   2HB   ARG 124          HB3       ARG 124   3.731   6.215   9.748
  147   1HG   ARG 124          HG2       ARG 124   4.345   7.510  11.683
  148   2HG   ARG 124          HG3       ARG 124   5.866   7.984  10.922
  149   1HD   ARG 124          HD2       ARG 124   4.420   9.817  10.637
  150   2HD   ARG 124          HD3       ARG 124   4.466   8.999   9.076
  151    HE   ARG 124           HE       ARG 124   2.282   8.215  10.816
  152   1HH1  ARG 124          HH12      ARG 124   3.374  10.274   8.201
  153   2HH1  ARG 124          HH11      ARG 124   1.773  10.742   7.711
  154   1HH2  ARG 124          HH22      ARG 124   0.161   8.842  10.201
  155   2HH2  ARG 124          HH21      ARG 124  -0.058   9.938   8.864
  156    H    VAL 125           HN       VAL 125   5.789   5.375   7.892
  157    HA   VAL 125           HA       VAL 125   5.709   2.453   7.601
  158    HB   VAL 125           HB       VAL 125   4.803   4.384   5.467
  159   1HG1  VAL 125          HG11      VAL 125   5.493   2.228   4.625
  160   2HG1  VAL 125          HG12      VAL 125   4.439   1.411   5.779
  161   3HG1  VAL 125          HG13      VAL 125   3.743   2.391   4.491
  162   1HG2  VAL 125          HG21      VAL 125   3.030   2.833   7.341
  163   2HG2  VAL 125          HG22      VAL 125   3.309   4.576   7.407
  164   3HG2  VAL 125          HG23      VAL 125   2.511   3.863   6.005
  165    H    ILE 126           HN       ILE 126   7.390   5.325   7.148
  166    HA   ILE 126           HA       ILE 126   9.232   5.989   6.025
  167    HB   ILE 126           HB       ILE 126   9.923   3.034   6.071
  168   1HG1  ILE 126          HG12      ILE 126  11.541   3.910   7.903
  169   2HG1  ILE 126          HG13      ILE 126  10.479   5.311   7.966
  170   1HG2  ILE 126          HG21      ILE 126  11.175   4.236   4.348
  171   2HG2  ILE 126          HG22      ILE 126  11.702   5.416   5.547
  172   3HG2  ILE 126          HG23      ILE 126  12.228   3.736   5.673
  173   1HD1  ILE 126          HD11      ILE 126   9.935   3.717   9.703
  174   2HD1  ILE 126          HD12      ILE 126   8.607   3.863   8.554
  175   3HD1  ILE 126          HD13      ILE 126   9.675   2.459   8.494
  176    H    VAL 127           HN       VAL 127   7.770   6.566   4.315
  177    HA   VAL 127           HA       VAL 127   8.343   5.257   1.793
  178    HB   VAL 127           HB       VAL 127   5.892   5.187   1.190
  179   1HG1  VAL 127          HG11      VAL 127   7.085   3.128   1.682
  180   2HG1  VAL 127          HG12      VAL 127   6.749   3.328   3.402
  181   3HG1  VAL 127          HG13      VAL 127   5.425   3.044   2.273
  182   1HG2  VAL 127          HG21      VAL 127   4.975   6.613   2.880
  183   2HG2  VAL 127          HG22      VAL 127   4.285   5.003   3.082
  184   3HG2  VAL 127          HG23      VAL 127   5.565   5.556   4.162
  185    HA   PRO 128           HA       PRO 128   7.618   9.466   0.356
  186   1HB   PRO 128          HB2       PRO 128   6.448   9.007  -2.071
  187   2HB   PRO 128          HB3       PRO 128   8.187   8.873  -1.796
  188   1HG   PRO 128          HG2       PRO 128   6.111   6.723  -1.903
  189   2HG   PRO 128          HG3       PRO 128   7.744   6.733  -2.597
  190   1HD   PRO 128          HD2       PRO 128   7.183   5.444  -0.290
  191   2HD   PRO 128          HD3       PRO 128   8.744   6.235  -0.570
  192    H    ALA 129           HN       ALA 129   6.002  10.711   1.092
  193    HA   ALA 129           HA       ALA 129   3.372   9.965   1.573
  194   1HB   ALA 129          HB1       ALA 129   4.378  12.736   0.971
  195   2HB   ALA 129          HB2       ALA 129   2.869  12.328   1.789
  196   3HB   ALA 129          HB3       ALA 129   4.416  11.936   2.542
  197    H    ASP 130           HN       ASP 130   4.301   9.342  -1.185
  198    HA   ASP 130           HA       ASP 130   1.809  10.011  -2.584
  199   1HB   ASP 130          HB2       ASP 130   4.118  11.234  -3.397
  200   2HB   ASP 130          HB3       ASP 130   4.297   9.682  -4.194
  201    HA   PRO 131           HA       PRO 131   2.252   5.604  -1.965
  202   1HB   PRO 131          HB2       PRO 131  -0.492   5.738  -3.066
  203   2HB   PRO 131          HB3       PRO 131   0.094   4.979  -1.582
  204   1HG   PRO 131          HG2       PRO 131  -1.312   7.240  -1.502
  205   2HG   PRO 131          HG3       PRO 131   0.047   6.967  -0.393
  206   1HD   PRO 131          HD2       PRO 131  -0.065   8.623  -2.882
  207   2HD   PRO 131          HD3       PRO 131   0.724   8.977  -1.332
  208    H    THR 132           HN       THR 132   2.914   7.160  -4.559
  209    HA   THR 132           HA       THR 132   2.194   5.171  -6.499
  210    HB   THR 132           HB       THR 132   3.453   6.770  -8.017
  211    HG1  THR 132           HG1      THR 132   3.071   8.847  -6.252
  212   1HG2  THR 132          HG21      THR 132   1.079   7.898  -6.533
  213   2HG2  THR 132          HG22      THR 132   0.980   6.704  -7.830
  214   3HG2  THR 132          HG23      THR 132   1.595   8.324  -8.167
  215    H    LEU 133           HN       LEU 133   4.993   6.516  -4.848
  216    HA   LEU 133           HA       LEU 133   6.743   4.534  -6.095
  217   1HB   LEU 133          HB2       LEU 133   7.760   6.513  -4.129
  218   2HB   LEU 133          HB3       LEU 133   8.498   5.937  -5.609
  219    HG   LEU 133           HG       LEU 133   6.255   7.968  -5.486
  220   1HD1  LEU 133          HD11      LEU 133   9.210   8.355  -5.946
  221   2HD1  LEU 133          HD12      LEU 133   7.971   9.604  -6.056
  222   3HD1  LEU 133          HD13      LEU 133   8.314   8.833  -4.504
  223   1HD2  LEU 133          HD21      LEU 133   6.293   6.690  -7.574
  224   2HD2  LEU 133          HD22      LEU 133   6.814   8.354  -7.842
  225   3HD2  LEU 133          HD23      LEU 133   8.006   7.056  -7.776
  226    H    TRP 134           HN       TRP 134   4.786   4.463  -3.407
  227    HA   TRP 134           HA       TRP 134   6.353   3.098  -1.618
  228   1HB   TRP 134          HB2       TRP 134   3.541   2.521  -2.546
  229   2HB   TRP 134          HB3       TRP 134   4.296   1.710  -1.188
  230    HD1  TRP 134           HD1      TRP 134   5.408   5.162  -0.930
  231    HE1  TRP 134           HE1      TRP 134   3.905   6.521   0.648
  232    HE3  TRP 134           HE3      TRP 134   1.514   1.886  -0.530
  233    HZ2  TRP 134           HZ2      TRP 134   1.414   6.210   1.945
  234    HZ3  TRP 134           HZ3      TRP 134  -0.382   2.481   0.916
  235    HH2  TRP 134           HH2      TRP 134  -0.428   4.598   2.130
  236    H    SER 135           HN       SER 135   7.672   1.406  -1.938
  237    HA   SER 135           HA       SER 135   7.706  -0.015  -4.370
  238   1HB   SER 135          HB2       SER 135   9.079  -0.574  -1.739
  239   2HB   SER 135          HB3       SER 135   9.429  -1.417  -3.249
  240    HG   SER 135           HG       SER 135   9.954   0.651  -4.146
  241    H    THR 136           HN       THR 136   7.528  -2.232  -4.633
  242    HA   THR 136           HA       THR 136   5.288  -3.631  -4.212
  243    HB   THR 136           HB       THR 136   6.762  -5.761  -3.986
  244    HG1  THR 136           HG1      THR 136   8.927  -4.495  -4.979
  245   1HG2  THR 136          HG21      THR 136   5.807  -5.146  -6.090
  246   2HG2  THR 136          HG22      THR 136   7.513  -5.504  -6.365
  247   3HG2  THR 136          HG23      THR 136   6.961  -3.826  -6.291
  248    H    ASP 137           HN       ASP 137   7.938  -3.669  -1.832
  249    HA   ASP 137           HA       ASP 137   6.375  -5.292  -0.014
  250   1HB   ASP 137          HB2       ASP 137   8.885  -5.513  -0.225
  251   2HB   ASP 137          HB3       ASP 137   9.015  -3.946   0.575
  252    H    HIS 138           HN       HIS 138   7.357  -1.873  -0.345
  253    HA   HIS 138           HA       HIS 138   6.443  -1.036   2.158
  254   1HB   HIS 138          HB2       HIS 138   6.979   0.350  -0.446
  255   2HB   HIS 138          HB3       HIS 138   6.381   1.223   0.963
  256    HD2  HIS 138           HD2      HIS 138   8.148   1.498   3.055
  257    HE1  HIS 138           HE1      HIS 138  11.482   0.032   0.892
  258    HE2  HIS 138           HE2      HIS 138  10.704   1.020   3.094
  259    H    VAL 139           HN       VAL 139   4.563  -2.193  -0.406
  260    HA   VAL 139           HA       VAL 139   2.508  -0.168  -0.023
  261    HB   VAL 139           HB       VAL 139   2.960  -2.275  -2.116
  262   1HG1  VAL 139          HG11      VAL 139   0.786  -2.945  -1.215
  263   2HG1  VAL 139          HG12      VAL 139   0.195  -1.293  -1.393
  264   3HG1  VAL 139          HG13      VAL 139   0.612  -2.239  -2.823
  265   1HG2  VAL 139          HG21      VAL 139   2.147  -0.532  -3.603
  266   2HG2  VAL 139          HG22      VAL 139   1.746   0.478  -2.211
  267   3HG2  VAL 139          HG23      VAL 139   3.432   0.083  -2.557
  268    H    ARG 140           HN       ARG 140   3.367  -3.499   0.145
  269    HA   ARG 140           HA       ARG 140   1.040  -4.567   1.393
  270   1HB   ARG 140          HB2       ARG 140   2.806  -5.826   0.107
  271   2HB   ARG 140          HB3       ARG 140   3.899  -5.569   1.453
  272   1HG   ARG 140          HG2       ARG 140   1.290  -6.851   1.966
  273   2HG   ARG 140          HG3       ARG 140   2.549  -7.794   1.178
  274   1HD   ARG 140          HD2       ARG 140   2.598  -6.488   3.895
  275   2HD   ARG 140          HD3       ARG 140   2.748  -8.202   3.515
  276    HE   ARG 140           HE       ARG 140   4.884  -6.978   2.278
  277   1HH1  ARG 140          HH12      ARG 140   3.683  -7.291   5.558
  278   2HH1  ARG 140          HH11      ARG 140   5.255  -7.130   6.279
  279   1HH2  ARG 140          HH22      ARG 140   6.963  -6.742   3.224
  280   2HH2  ARG 140          HH21      ARG 140   7.111  -6.815   4.956
  281    H    GLN 141           HN       GLN 141   3.901  -2.927   2.452
  282    HA   GLN 141           HA       GLN 141   3.813  -3.557   5.181
  283   1HB   GLN 141          HB2       GLN 141   5.781  -2.530   4.312
  284   2HB   GLN 141          HB3       GLN 141   4.872  -1.135   3.739
  285   1HG   GLN 141          HG2       GLN 141   4.568  -0.285   5.861
  286   2HG   GLN 141          HG3       GLN 141   4.910  -1.835   6.642
  287   1HE2  GLN 141          HE21      GLN 141   7.264  -2.194   4.802
  288   2HE2  GLN 141          HE22      GLN 141   8.495  -1.197   5.487
  289    H    TRP 142           HN       TRP 142   2.770  -0.454   3.695
  290    HA   TRP 142           HA       TRP 142   1.239   0.351   5.865
  291   1HB   TRP 142          HB2       TRP 142   1.760   1.858   3.977
  292   2HB   TRP 142          HB3       TRP 142   0.649   0.952   2.955
  293    HD1  TRP 142           HD1      TRP 142   0.653   3.326   5.976
  294    HE1  TRP 142           HE1      TRP 142  -1.728   4.243   6.318
  295    HE3  TRP 142           HE3      TRP 142  -1.805   0.594   2.410
  296    HZ2  TRP 142           HZ2      TRP 142  -4.290   3.857   5.258
  297    HZ3  TRP 142           HZ3      TRP 142  -4.223   0.945   2.120
  298    HH2  TRP 142           HH2      TRP 142  -5.441   2.551   3.513
  299    H    LEU 143           HN       LEU 143   0.141  -1.151   2.921
  300    HA   LEU 143           HA       LEU 143  -2.456  -1.543   3.344
  301   1HB   LEU 143          HB2       LEU 143  -1.192  -2.260   1.380
  302   2HB   LEU 143          HB3       LEU 143  -0.543  -3.611   2.278
  303    HG   LEU 143           HG       LEU 143  -3.049  -4.292   2.503
  304   1HD1  LEU 143          HD11      LEU 143  -3.964  -2.246   1.576
  305   2HD1  LEU 143          HD12      LEU 143  -3.084  -2.519   0.067
  306   3HD1  LEU 143          HD13      LEU 143  -4.370  -3.630   0.561
  307   1HD2  LEU 143          HD21      LEU 143  -1.311  -5.544   1.360
  308   2HD2  LEU 143          HD22      LEU 143  -2.817  -5.572   0.441
  309   3HD2  LEU 143          HD23      LEU 143  -1.495  -4.518  -0.063
  310    H    GLU 144           HN       GLU 144   0.031  -3.529   4.735
  311    HA   GLU 144           HA       GLU 144  -1.809  -5.238   6.234
  312   1HB   GLU 144          HB2       GLU 144   1.170  -4.995   6.230
  313   2HB   GLU 144          HB3       GLU 144   0.349  -5.860   7.526
  314   1HG   GLU 144          HG2       GLU 144  -0.818  -7.187   5.714
  315   2HG   GLU 144          HG3       GLU 144   0.330  -6.483   4.582
  316    H    TRP 145           HN       TRP 145   0.531  -2.752   7.178
  317    HA   TRP 145           HA       TRP 145  -0.292  -2.270   9.797
  318   1HB   TRP 145          HB2       TRP 145   1.635  -1.188   9.407
  319   2HB   TRP 145          HB3       TRP 145   1.268  -0.929   7.714
  320    HD1  TRP 145           HD1      TRP 145   0.964   1.472   7.044
  321    HE1  TRP 145           HE1      TRP 145   0.534   3.689   8.246
  322    HE3  TRP 145           HE3      TRP 145   0.219  -0.317  11.751
  323    HZ2  TRP 145           HZ2      TRP 145  -0.071   4.576  10.859
  324    HZ3  TRP 145           HZ3      TRP 145  -0.280   1.280  13.560
  325    HH2  TRP 145           HH2      TRP 145  -0.424   3.677  13.121
  326    H    ALA 146           HN       ALA 146  -2.166  -1.976   7.150
  327    HA   ALA 146           HA       ALA 146  -3.648   0.440   7.962
  328   1HB   ALA 146          HB1       ALA 146  -4.849   0.145   5.838
  329   2HB   ALA 146          HB2       ALA 146  -3.105   0.300   5.618
  330   3HB   ALA 146          HB3       ALA 146  -3.871  -1.285   5.505
  331    H    VAL 147           HN       VAL 147  -4.205  -2.857   6.901
  332    HA   VAL 147           HA       VAL 147  -6.650  -3.409   8.022
  333    HB   VAL 147           HB       VAL 147  -4.226  -5.194   7.853
  334   1HG1  VAL 147          HG11      VAL 147  -7.096  -5.996   8.296
  335   2HG1  VAL 147          HG12      VAL 147  -5.723  -7.084   8.097
  336   3HG1  VAL 147          HG13      VAL 147  -5.827  -6.046   9.519
  337   1HG2  VAL 147          HG21      VAL 147  -6.638  -4.826   6.078
  338   2HG2  VAL 147          HG22      VAL 147  -4.976  -4.362   5.713
  339   3HG2  VAL 147          HG23      VAL 147  -5.402  -6.068   5.857
  340    H    LYS 148           HN       LYS 148  -3.489  -3.194   9.475
  341    HA   LYS 148           HA       LYS 148  -4.156  -4.181  12.040
  342   1HB   LYS 148          HB2       LYS 148  -1.838  -2.597  10.972
  343   2HB   LYS 148          HB3       LYS 148  -1.985  -2.959  12.684
  344   1HG   LYS 148          HG2       LYS 148  -1.895  -5.015  10.484
  345   2HG   LYS 148          HG3       LYS 148  -0.529  -4.539  11.495
  346   1HD   LYS 148          HD2       LYS 148  -1.763  -5.278  13.485
  347   2HD   LYS 148          HD3       LYS 148  -3.106  -5.779  12.459
  348   1HE   LYS 148          HE2       LYS 148  -1.590  -7.354  11.310
  349   2HE   LYS 148          HE3       LYS 148  -0.308  -6.895  12.431
  350   1HZ   LYS 148          HZ1       LYS 148  -1.369  -8.911  13.167
  351   2HZ   LYS 148          HZ2       LYS 148  -2.895  -8.171  13.148
  352   3HZ   LYS 148          HZ3       LYS 148  -1.720  -7.665  14.261
  353    H    GLU 149           HN       GLU 149  -3.753  -0.685  10.866
  354    HA   GLU 149           HA       GLU 149  -4.583   0.210  13.361
  355   1HB   GLU 149          HB2       GLU 149  -3.090   1.391  11.776
  356   2HB   GLU 149          HB3       GLU 149  -4.450   1.628  10.676
  357   1HG   GLU 149          HG2       GLU 149  -4.182   3.650  11.827
  358   2HG   GLU 149          HG3       GLU 149  -5.580   2.871  12.564
  359    H    TYR 150           HN       TYR 150  -6.543  -0.796  10.616
  360    HA   TYR 150           HA       TYR 150  -8.485   1.263  11.348
  361   1HB   TYR 150          HB2       TYR 150  -8.070  -0.052   8.658
  362   2HB   TYR 150          HB3       TYR 150  -9.296   1.147   9.033
  363    HD1  TYR 150           HD1      TYR 150  -7.904   3.161  10.563
  364    HD2  TYR 150           HD2      TYR 150  -6.527   0.927   7.214
  365    HE1  TYR 150           HE1      TYR 150  -6.310   4.956  10.029
  366    HE2  TYR 150           HE2      TYR 150  -4.929   2.714   6.672
  367    HH   TYR 150           HH       TYR 150  -4.244   5.287   8.833
  368    H    GLY 151           HN       GLY 151  -7.820  -1.957  11.563
  369   1HA   GLY 151          HA1       GLY 151  -9.096  -3.631  12.506
  370   2HA   GLY 151          HA2       GLY 151 -10.438  -2.501  12.592
  371    H    LEU 152           HN       LEU 152  -8.564  -3.900   9.928
  372    HA   LEU 152           HA       LEU 152 -11.056  -4.200   8.441
  373   1HB   LEU 152          HB2       LEU 152  -8.213  -4.471   7.483
  374   2HB   LEU 152          HB3       LEU 152  -9.648  -4.327   6.485
  375    HG   LEU 152           HG       LEU 152  -8.530  -2.181   8.288
  376   1HD1  LEU 152          HD11      LEU 152  -8.621  -2.383   5.285
  377   2HD1  LEU 152          HD12      LEU 152  -8.020  -1.011   6.216
  378   3HD1  LEU 152          HD13      LEU 152  -7.183  -2.562   6.289
  379   1HD2  LEU 152          HD21      LEU 152 -10.881  -2.124   6.406
  380   2HD2  LEU 152          HD22      LEU 152 -10.958  -2.081   8.168
  381   3HD2  LEU 152          HD23      LEU 152 -10.225  -0.742   7.283
  382    HA   PRO 153           HA       PRO 153 -10.580  -8.564   9.312
  383   1HB   PRO 153          HB2       PRO 153 -13.283  -9.018   8.592
  384   2HB   PRO 153          HB3       PRO 153 -12.630  -8.809  10.214
  385   1HG   PRO 153          HG2       PRO 153 -14.360  -7.047   8.909
  386   2HG   PRO 153          HG3       PRO 153 -13.398  -6.680  10.349
  387   1HD   PRO 153          HD2       PRO 153 -12.870  -6.008   7.491
  388   2HD   PRO 153          HD3       PRO 153 -12.495  -5.082   8.962
  389    H    ASP 154           HN       ASP 154 -12.526  -7.561   6.486
  390    HA   ASP 154           HA       ASP 154 -11.861 -10.048   5.169
  391   1HB   ASP 154          HB2       ASP 154 -14.167  -9.125   5.271
  392   2HB   ASP 154          HB3       ASP 154 -13.644  -7.794   4.246
  393    H    VAL 155           HN       VAL 155  -9.927  -7.579   5.368
  394    HA   VAL 155           HA       VAL 155  -9.489  -7.040   2.561
  395    HB   VAL 155           HB       VAL 155  -7.768  -6.300   4.934
  396   1HG1  VAL 155          HG11      VAL 155  -6.453  -6.433   2.883
  397   2HG1  VAL 155          HG12      VAL 155  -7.623  -5.406   2.052
  398   3HG1  VAL 155          HG13      VAL 155  -6.663  -4.753   3.379
  399   1HG2  VAL 155          HG21      VAL 155  -8.681  -4.054   4.579
  400   2HG2  VAL 155          HG22      VAL 155  -9.723  -4.688   3.304
  401   3HG2  VAL 155          HG23      VAL 155  -9.943  -5.221   4.970
  402    H    ASN 156           HN       ASN 156  -8.472  -8.347   1.249
  403    HA   ASN 156           HA       ASN 156  -6.740 -10.434   2.339
  404   1HB   ASN 156          HB2       ASN 156  -8.637 -10.401   0.299
  405   2HB   ASN 156          HB3       ASN 156  -7.095 -10.454  -0.551
  406   1HD2  ASN 156          HD21      ASN 156  -7.483 -11.820   2.628
  407   2HD2  ASN 156          HD22      ASN 156  -7.364 -13.482   2.141
  408    H    ILE 157           HN       ILE 157  -4.998  -9.106   2.877
  409    HA   ILE 157           HA       ILE 157  -3.954  -7.217   1.045
  410    HB   ILE 157           HB       ILE 157  -1.964  -7.091   2.624
  411   1HG1  ILE 157          HG12      ILE 157  -3.243  -9.398   3.684
  412   2HG1  ILE 157          HG13      ILE 157  -1.675  -8.734   4.073
  413   1HG2  ILE 157          HG21      ILE 157  -3.251  -5.906   4.366
  414   2HG2  ILE 157          HG22      ILE 157  -3.688  -5.460   2.716
  415   3HG2  ILE 157          HG23      ILE 157  -4.730  -6.543   3.641
  416   1HD1  ILE 157          HD11      ILE 157  -2.739  -7.220   5.684
  417   2HD1  ILE 157          HD12      ILE 157  -4.298  -7.963   5.329
  418   3HD1  ILE 157          HD13      ILE 157  -3.014  -8.921   6.070
  419    H    LEU 158           HN       LEU 158  -3.093 -10.541   1.731
  420    HA   LEU 158           HA       LEU 158  -0.550 -10.515   0.536
  421   1HB   LEU 158          HB2       LEU 158  -0.728 -12.932   0.494
  422   2HB   LEU 158          HB3       LEU 158  -1.309 -12.303   2.021
  423    HG   LEU 158           HG       LEU 158  -3.235 -12.987  -0.183
  424   1HD1  LEU 158          HD11      LEU 158  -2.118 -14.865   1.895
  425   2HD1  LEU 158          HD12      LEU 158  -3.471 -15.209   0.817
  426   3HD1  LEU 158          HD13      LEU 158  -1.855 -14.964   0.154
  427   1HD2  LEU 158          HD21      LEU 158  -3.463 -12.929   2.825
  428   2HD2  LEU 158          HD22      LEU 158  -4.074 -11.700   1.719
  429   3HD2  LEU 158          HD23      LEU 158  -4.759 -13.325   1.697
  430    H    LEU 159           HN       LEU 159  -3.139  -9.555  -1.056
  431    HA   LEU 159           HA       LEU 159  -2.633 -11.079  -3.507
  432   1HB   LEU 159          HB2       LEU 159  -4.915  -9.356  -2.582
  433   2HB   LEU 159          HB3       LEU 159  -4.649  -9.607  -4.296
  434    HG   LEU 159           HG       LEU 159  -4.973 -12.009  -4.030
  435   1HD1  LEU 159          HD11      LEU 159  -5.365 -11.380  -1.109
  436   2HD1  LEU 159          HD12      LEU 159  -5.704 -12.936  -1.874
  437   3HD1  LEU 159          HD13      LEU 159  -4.054 -12.318  -1.822
  438   1HD2  LEU 159          HD21      LEU 159  -7.162 -10.414  -2.693
  439   2HD2  LEU 159          HD22      LEU 159  -6.940 -10.604  -4.431
  440   3HD2  LEU 159          HD23      LEU 159  -7.342 -12.002  -3.436
  441    H    PHE 160           HN       PHE 160  -2.043  -8.155  -1.880
  442    HA   PHE 160           HA       PHE 160  -1.586  -6.668  -4.328
  443   1HB   PHE 160          HB2       PHE 160  -1.467  -5.789  -1.443
  444   2HB   PHE 160          HB3       PHE 160  -1.191  -4.725  -2.817
  445    HD1  PHE 160           HD1      PHE 160  -3.716  -6.758  -1.054
  446    HD2  PHE 160           HD2      PHE 160  -2.998  -3.852  -4.082
  447    HE1  PHE 160           HE1      PHE 160  -6.129  -6.298  -1.181
  448    HE2  PHE 160           HE2      PHE 160  -5.409  -3.383  -4.209
  449    HZ   PHE 160           HZ       PHE 160  -6.978  -4.606  -2.760
  450    H    GLN 161           HN       GLN 161   0.059  -8.571  -2.202
  451    HA   GLN 161           HA       GLN 161   2.496  -7.585  -1.593
  452   1HB   GLN 161          HB2       GLN 161   1.698 -10.321  -2.468
  453   2HB   GLN 161          HB3       GLN 161   3.368  -9.974  -2.047
  454   1HG   GLN 161          HG2       GLN 161   2.615  -9.179   0.165
  455   2HG   GLN 161          HG3       GLN 161   0.969  -9.643  -0.260
  456   1HE2  GLN 161          HE21      GLN 161   0.953 -11.050   1.537
  457   2HE2  GLN 161          HE22      GLN 161   1.740 -12.593   1.470
  458    H    ASN 162           HN       ASN 162   1.527  -8.438  -4.848
  459    HA   ASN 162           HA       ASN 162   4.298  -8.123  -5.790
  460   1HB   ASN 162          HB2       ASN 162   1.859  -9.359  -7.054
  461   2HB   ASN 162          HB3       ASN 162   3.271  -8.933  -8.011
  462   1HD2  ASN 162          HD21      ASN 162   3.468 -10.098  -4.728
  463   2HD2  ASN 162          HD22      ASN 162   4.147 -11.640  -5.105
  464    H    ILE 163           HN       ILE 163   1.793  -6.229  -5.179
  465    HA   ILE 163           HA       ILE 163   1.945  -4.631  -7.640
  466    HB   ILE 163           HB       ILE 163   0.055  -4.487  -5.275
  467   1HG1  ILE 163          HG12      ILE 163  -0.487  -5.319  -8.130
  468   2HG1  ILE 163          HG13      ILE 163  -0.271  -6.429  -6.780
  469   1HG2  ILE 163          HG21      ILE 163   0.007  -2.866  -7.810
  470   2HG2  ILE 163          HG22      ILE 163  -1.230  -2.855  -6.553
  471   3HG2  ILE 163          HG23      ILE 163   0.396  -2.270  -6.196
  472   1HD1  ILE 163          HD11      ILE 163  -2.444  -4.369  -7.048
  473   2HD1  ILE 163          HD12      ILE 163  -2.621  -6.111  -7.274
  474   3HD1  ILE 163          HD13      ILE 163  -2.225  -5.461  -5.683
  475    H    ASP 164           HN       ASP 164   3.095  -2.880  -7.771
  476    HA   ASP 164           HA       ASP 164   4.322  -1.710  -5.424
  477   1HB   ASP 164          HB2       ASP 164   4.432  -0.710  -8.283
  478   2HB   ASP 164          HB3       ASP 164   5.480  -0.236  -6.956
  479    H    GLY 165           HN       GLY 165   4.292   0.793  -5.331
  480   1HA   GLY 165          HA1       GLY 165   1.662   1.686  -4.873
  481   2HA   GLY 165          HA2       GLY 165   3.089   2.709  -4.955
  482    H    LYS 166           HN       LYS 166   3.602   1.707  -7.738
  483    HA   LYS 166           HA       LYS 166   2.364   3.870  -9.106
  484   1HB   LYS 166          HB2       LYS 166   3.577   3.094 -11.008
  485   2HB   LYS 166          HB3       LYS 166   4.601   2.709  -9.627
  486   1HG   LYS 166          HG2       LYS 166   3.509   0.427  -9.641
  487   2HG   LYS 166          HG3       LYS 166   2.869   0.857 -11.220
  488   1HD   LYS 166          HD2       LYS 166   4.923  -0.443 -11.439
  489   2HD   LYS 166          HD3       LYS 166   5.112   1.184 -12.091
  490   1HE   LYS 166          HE2       LYS 166   6.276   1.881 -10.078
  491   2HE   LYS 166          HE3       LYS 166   6.026   0.291  -9.358
  492   1HZ   LYS 166          HZ1       LYS 166   7.423  -0.700 -10.990
  493   2HZ   LYS 166          HZ2       LYS 166   8.266   0.622 -10.345
  494   3HZ   LYS 166          HZ3       LYS 166   7.538   0.741 -11.874
  495    H    GLU 167           HN       GLU 167   1.594   0.606  -8.489
  496    HA   GLU 167           HA       GLU 167  -0.426   0.496 -10.549
  497   1HB   GLU 167          HB2       GLU 167   0.519  -1.469  -8.466
  498   2HB   GLU 167          HB3       GLU 167  -0.709  -1.796  -9.653
  499   1HG   GLU 167          HG2       GLU 167   2.158  -1.156 -10.227
  500   2HG   GLU 167          HG3       GLU 167   1.410  -2.749 -10.319
  501    H    LEU 168           HN       LEU 168  -0.239  -0.059  -7.022
  502    HA   LEU 168           HA       LEU 168  -2.941  -0.054  -6.492
  503   1HB   LEU 168          HB2       LEU 168  -1.181  -0.737  -4.894
  504   2HB   LEU 168          HB3       LEU 168  -0.704   0.940  -4.724
  505    HG   LEU 168           HG       LEU 168  -3.057   1.380  -3.862
  506   1HD1  LEU 168          HD11      LEU 168  -4.126  -0.641  -4.656
  507   2HD1  LEU 168          HD12      LEU 168  -3.049  -1.627  -3.668
  508   3HD1  LEU 168          HD13      LEU 168  -4.215  -0.553  -2.894
  509   1HD2  LEU 168          HD21      LEU 168  -1.107   1.324  -2.415
  510   2HD2  LEU 168          HD22      LEU 168  -2.507   0.607  -1.617
  511   3HD2  LEU 168          HD23      LEU 168  -1.242  -0.431  -2.278
  512    H    CYS 169           HN       CYS 169  -0.853   2.837  -6.830
  513    HA   CYS 169           HA       CYS 169  -3.021   4.393  -5.811
  514   1HB   CYS 169          HB2       CYS 169  -0.746   5.220  -5.399
  515   2HB   CYS 169          HB3       CYS 169  -0.453   5.336  -7.133
  516    HG   CYS 169           HG       CYS 169  -2.881   7.197  -7.082
  517    H    LYS 170           HN       LYS 170  -2.355   2.961  -8.750
  518    HA   LYS 170           HA       LYS 170  -4.253   4.749 -10.184
  519   1HB   LYS 170          HB2       LYS 170  -2.428   2.646 -11.371
  520   2HB   LYS 170          HB3       LYS 170  -3.450   3.775 -12.248
  521   1HG   LYS 170          HG2       LYS 170  -2.072   5.628 -11.421
  522   2HG   LYS 170          HG3       LYS 170  -1.026   4.463 -10.605
  523   1HD   LYS 170          HD2       LYS 170  -0.726   3.379 -12.890
  524   2HD   LYS 170          HD3       LYS 170  -1.461   4.838 -13.557
  525   1HE   LYS 170          HE2       LYS 170   1.027   4.710 -11.861
  526   2HE   LYS 170          HE3       LYS 170   0.971   4.985 -13.601
  527   1HZ   LYS 170          HZ1       LYS 170   1.248   7.040 -12.343
  528   2HZ   LYS 170          HZ2       LYS 170  -0.228   6.772 -11.550
  529   3HZ   LYS 170          HZ3       LYS 170  -0.200   7.042 -13.227
  530    H    MET 171           HN       MET 171  -4.849   2.844  -8.125
  531    HA   MET 171           HA       MET 171  -6.457   0.838  -9.532
  532   1HB   MET 171          HB2       MET 171  -5.991   1.468  -6.635
  533   2HB   MET 171          HB3       MET 171  -7.188   0.304  -7.182
  534   1HG   MET 171          HG2       MET 171  -4.257   0.150  -7.805
  535   2HG   MET 171          HG3       MET 171  -5.048  -0.679  -6.475
  536   1HE   MET 171          HE1       MET 171  -4.499  -3.762  -8.690
  537   2HE   MET 171          HE2       MET 171  -3.381  -2.465  -8.260
  538   3HE   MET 171          HE3       MET 171  -4.492  -3.111  -7.051
  539    H    THR 172           HN       THR 172  -8.747   0.996  -9.620
  540    HA   THR 172           HA       THR 172  -9.901   3.453  -8.490
  541    HB   THR 172           HB       THR 172 -11.924   2.954  -9.787
  542    HG1  THR 172           HG1      THR 172 -10.415   0.677 -10.648
  543   1HG2  THR 172          HG21      THR 172  -9.398   2.892 -11.450
  544   2HG2  THR 172          HG22      THR 172 -10.224   4.331 -10.851
  545   3HG2  THR 172          HG23      THR 172 -11.004   3.303 -12.054
  546    H    LYS 173           HN       LYS 173 -12.170   3.044  -7.539
  547    HA   LYS 173           HA       LYS 173 -11.857   1.211  -5.410
  548   1HB   LYS 173          HB2       LYS 173 -13.303   3.374  -5.517
  549   2HB   LYS 173          HB3       LYS 173 -14.553   2.284  -6.116
  550   1HG   LYS 173          HG2       LYS 173 -14.281   0.883  -4.130
  551   2HG   LYS 173          HG3       LYS 173 -13.050   1.989  -3.525
  552   1HD   LYS 173          HD2       LYS 173 -15.080   2.512  -2.415
  553   2HD   LYS 173          HD3       LYS 173 -14.782   3.796  -3.587
  554   1HE   LYS 173          HE2       LYS 173 -16.395   2.907  -5.089
  555   2HE   LYS 173          HE3       LYS 173 -16.558   1.431  -4.133
  556   1HZ   LYS 173          HZ1       LYS 173 -17.430   4.171  -3.388
  557   2HZ   LYS 173          HZ2       LYS 173 -17.374   2.886  -2.286
  558   3HZ   LYS 173          HZ3       LYS 173 -18.407   2.805  -3.633
  559    H    ASP 174           HN       ASP 174 -12.318   0.373  -8.480
  560    HA   ASP 174           HA       ASP 174 -14.510  -1.530  -8.052
  561   1HB   ASP 174          HB2       ASP 174 -14.823  -0.173 -10.044
  562   2HB   ASP 174          HB3       ASP 174 -13.175  -0.494 -10.570
  563    H    ASP 175           HN       ASP 175 -11.177  -1.005  -8.781
  564    HA   ASP 175           HA       ASP 175 -10.337  -3.691  -9.280
  565   1HB   ASP 175          HB2       ASP 175  -8.825  -1.261  -8.288
  566   2HB   ASP 175          HB3       ASP 175  -8.082  -2.764  -8.796
  567    H    PHE 176           HN       PHE 176 -10.766  -1.773  -6.409
  568    HA   PHE 176           HA       PHE 176  -9.576  -3.848  -4.798
  569   1HB   PHE 176          HB2       PHE 176 -11.172  -1.382  -4.050
  570   2HB   PHE 176          HB3       PHE 176 -10.705  -2.575  -2.852
  571    HD1  PHE 176           HD1      PHE 176  -9.247  -0.316  -5.429
  572    HD2  PHE 176           HD2      PHE 176  -8.726  -2.336  -1.720
  573    HE1  PHE 176           HE1      PHE 176  -7.138   0.893  -5.067
  574    HE2  PHE 176           HE2      PHE 176  -6.616  -1.134  -1.355
  575    HZ   PHE 176           HZ       PHE 176  -5.819   0.487  -3.030
  576    H    GLN 177           HN       GLN 177 -12.682  -3.326  -6.178
  577    HA   GLN 177           HA       GLN 177 -14.098  -4.721  -4.134
  578   1HB   GLN 177          HB2       GLN 177 -14.857  -4.155  -6.999
  579   2HB   GLN 177          HB3       GLN 177 -15.939  -4.852  -5.808
  580   1HG   GLN 177          HG2       GLN 177 -15.680  -2.828  -4.449
  581   2HG   GLN 177          HG3       GLN 177 -14.677  -2.149  -5.724
  582   1HE2  GLN 177          HE21      GLN 177 -17.194  -1.190  -4.657
  583   2HE2  GLN 177          HE22      GLN 177 -18.299  -1.116  -5.988
  584    H    ARG 178           HN       ARG 178 -11.899  -5.815  -6.385
  585    HA   ARG 178           HA       ARG 178 -13.264  -8.394  -6.706
  586   1HB   ARG 178          HB2       ARG 178 -11.681  -8.893  -8.465
  587   2HB   ARG 178          HB3       ARG 178 -12.429  -7.336  -8.783
  588   1HG   ARG 178          HG2       ARG 178 -10.438  -6.219  -7.878
  589   2HG   ARG 178          HG3       ARG 178  -9.686  -7.800  -7.641
  590   1HD   ARG 178          HD2       ARG 178  -9.819  -8.233 -10.036
  591   2HD   ARG 178          HD3       ARG 178 -10.609  -6.675 -10.283
  592    HE   ARG 178           HE       ARG 178  -7.823  -7.027  -9.373
  593   1HH1  ARG 178          HH12      ARG 178 -10.304  -5.198 -11.048
  594   2HH1  ARG 178          HH11      ARG 178  -9.211  -3.915 -11.494
  595   1HH2  ARG 178          HH22      ARG 178  -6.398  -5.349  -9.987
  596   2HH2  ARG 178          HH21      ARG 178  -7.012  -4.006 -10.909
  597    H    LEU 179           HN       LEU 179 -11.151  -6.869  -4.714
  598    HA   LEU 179           HA       LEU 179  -9.887  -9.420  -3.940
  599   1HB   LEU 179          HB2       LEU 179  -8.691  -6.679  -3.530
  600   2HB   LEU 179          HB3       LEU 179  -7.908  -8.229  -3.299
  601    HG   LEU 179           HG       LEU 179  -8.742  -7.064  -5.965
  602   1HD1  LEU 179          HD11      LEU 179  -6.843  -5.894  -4.962
  603   2HD1  LEU 179          HD12      LEU 179  -6.000  -7.430  -4.762
  604   3HD1  LEU 179          HD13      LEU 179  -6.359  -6.825  -6.380
  605   1HD2  LEU 179          HD21      LEU 179  -7.185  -9.574  -5.352
  606   2HD2  LEU 179          HD22      LEU 179  -8.851  -9.513  -5.927
  607   3HD2  LEU 179          HD23      LEU 179  -7.542  -8.927  -6.954
  608    H    THR 180           HN       THR 180 -11.504  -6.502  -3.028
  609    HA   THR 180           HA       THR 180 -12.261  -7.511  -0.452
  610    HB   THR 180           HB       THR 180 -10.499  -5.043  -0.592
  611    HG1  THR 180           HG1      THR 180  -9.857  -7.618  -0.348
  612   1HG2  THR 180          HG21      THR 180 -10.699  -5.043   1.864
  613   2HG2  THR 180          HG22      THR 180 -11.838  -6.385   1.761
  614   3HG2  THR 180          HG23      THR 180 -12.260  -4.815   1.074
  615    HA   PRO 181           HA       PRO 181 -15.508  -5.324  -2.640
  616   1HB   PRO 181          HB2       PRO 181 -17.105  -6.150  -0.281
  617   2HB   PRO 181          HB3       PRO 181 -17.391  -6.446  -1.998
  618   1HG   PRO 181          HG2       PRO 181 -16.542  -8.401  -0.405
  619   2HG   PRO 181          HG3       PRO 181 -15.936  -8.250  -2.065
  620   1HD   PRO 181          HD2       PRO 181 -14.621  -7.478   0.510
  621   2HD   PRO 181          HD3       PRO 181 -13.919  -8.250  -0.925
  622    H    SER 182           HN       SER 182 -17.363  -3.844  -2.066
  623    HA   SER 182           HA       SER 182 -16.365  -1.432  -1.099
  624   1HB   SER 182          HB2       SER 182 -19.271  -2.244  -1.325
  625   2HB   SER 182          HB3       SER 182 -18.641  -0.595  -1.309
  626    HG   SER 182           HG       SER 182 -18.400  -2.582  -3.309
  627    H    TYR 183           HN       TYR 183 -15.614  -1.335   0.896
  628    HA   TYR 183           HA       TYR 183 -17.146  -0.740   3.082
  629   1HB   TYR 183          HB2       TYR 183 -17.836  -3.169   2.991
  630   2HB   TYR 183          HB3       TYR 183 -16.150  -3.589   3.275
  631    HD1  TYR 183           HD1      TYR 183 -15.399  -3.861   5.466
  632    HD2  TYR 183           HD2      TYR 183 -18.936  -1.608   4.762
  633    HE1  TYR 183           HE1      TYR 183 -15.757  -3.678   7.890
  634    HE2  TYR 183           HE2      TYR 183 -19.308  -1.422   7.186
  635    HH   TYR 183           HH       TYR 183 -18.674  -2.638   9.246
  636    H    ASN 184           HN       ASN 184 -14.387  -2.885   2.489
  637    HA   ASN 184           HA       ASN 184 -12.690  -1.179   4.144
  638   1HB   ASN 184          HB2       ASN 184 -12.109  -3.838   2.816
  639   2HB   ASN 184          HB3       ASN 184 -10.991  -2.961   3.852
  640   1HD2  ASN 184          HD21      ASN 184 -13.039  -2.129   5.762
  641   2HD2  ASN 184          HD22      ASN 184 -13.474  -3.545   6.644
  642    H    ALA 185           HN       ALA 185 -13.375  -1.977   0.846
  643    HA   ALA 185           HA       ALA 185 -11.107  -0.960  -0.476
  644   1HB   ALA 185          HB1       ALA 185 -12.617  -0.585  -2.340
  645   2HB   ALA 185          HB2       ALA 185 -12.937  -2.150  -1.594
  646   3HB   ALA 185          HB3       ALA 185 -14.011  -0.785  -1.280
  647    H    ASP 186           HN       ASP 186 -14.171   0.605   0.390
  648    HA   ASP 186           HA       ASP 186 -13.462   3.280  -0.068
  649   1HB   ASP 186          HB2       ASP 186 -15.428   2.098   1.905
  650   2HB   ASP 186          HB3       ASP 186 -15.351   3.795   1.457
  651    H    ILE 187           HN       ILE 187 -12.103   1.308   2.250
  652    HA   ILE 187           HA       ILE 187 -11.620   3.569   4.035
  653    HB   ILE 187           HB       ILE 187 -11.002   0.622   4.351
  654   1HG1  ILE 187          HG12      ILE 187 -12.879   2.499   5.812
  655   2HG1  ILE 187          HG13      ILE 187 -13.349   1.251   4.665
  656   1HG2  ILE 187          HG21      ILE 187 -10.376   2.898   6.230
  657   2HG2  ILE 187          HG22      ILE 187 -10.192   1.183   6.599
  658   3HG2  ILE 187          HG23      ILE 187  -9.205   1.925   5.341
  659   1HD1  ILE 187          HD11      ILE 187 -12.539  -0.465   6.174
  660   2HD1  ILE 187          HD12      ILE 187 -12.020   0.775   7.316
  661   3HD1  ILE 187          HD13      ILE 187 -13.735   0.562   6.966
  662    H    LEU 188           HN       LEU 188  -9.749   0.942   2.539
  663    HA   LEU 188           HA       LEU 188  -7.207   1.991   2.880
  664   1HB   LEU 188          HB2       LEU 188  -8.170   0.317   0.577
  665   2HB   LEU 188          HB3       LEU 188  -6.506   0.543   1.093
  666    HG   LEU 188           HG       LEU 188  -8.614  -0.713   2.844
  667   1HD1  LEU 188          HD11      LEU 188  -8.295  -2.058   0.823
  668   2HD1  LEU 188          HD12      LEU 188  -6.555  -2.074   1.114
  669   3HD1  LEU 188          HD13      LEU 188  -7.648  -2.862   2.253
  670   1HD2  LEU 188          HD21      LEU 188  -6.673  -1.529   4.090
  671   2HD2  LEU 188          HD22      LEU 188  -5.603  -0.660   2.989
  672   3HD2  LEU 188          HD23      LEU 188  -6.712   0.233   4.031
  673    H    LEU 189           HN       LEU 189  -9.475   2.430   0.155
  674    HA   LEU 189           HA       LEU 189  -7.559   3.612  -1.586
  675   1HB   LEU 189          HB2       LEU 189  -9.722   2.478  -2.211
  676   2HB   LEU 189          HB3       LEU 189 -10.551   3.910  -1.657
  677    HG   LEU 189           HG       LEU 189  -9.282   5.238  -3.337
  678   1HD1  LEU 189          HD11      LEU 189  -8.122   4.076  -5.134
  679   2HD1  LEU 189          HD12      LEU 189  -7.370   3.720  -3.580
  680   3HD1  LEU 189          HD13      LEU 189  -8.420   2.527  -4.347
  681   1HD2  LEU 189          HD21      LEU 189 -11.550   4.486  -3.789
  682   2HD2  LEU 189          HD22      LEU 189 -10.578   4.481  -5.261
  683   3HD2  LEU 189          HD23      LEU 189 -10.928   2.965  -4.428
  684    H    SER 190           HN       SER 190 -10.270   4.948   0.261
  685    HA   SER 190           HA       SER 190  -9.890   7.627  -0.159
  686   1HB   SER 190          HB2       SER 190 -10.668   6.390   2.492
  687   2HB   SER 190          HB3       SER 190 -11.078   8.006   1.915
  688    HG   SER 190           HG       SER 190 -12.417   5.753   1.547
  689    H    HIS 191           HN       HIS 191  -8.251   5.572   2.229
  690    HA   HIS 191           HA       HIS 191  -6.755   7.624   3.437
  691   1HB   HIS 191          HB2       HIS 191  -6.473   4.647   3.276
  692   2HB   HIS 191          HB3       HIS 191  -5.188   5.609   4.001
  693    HD2  HIS 191           HD2      HIS 191  -6.629   7.576   5.934
  694    HE1  HIS 191           HE1      HIS 191  -9.026   4.321   7.178
  695    HE2  HIS 191           HE2      HIS 191  -8.444   6.748   7.600
  696    H    LEU 192           HN       LEU 192  -6.051   5.496   0.693
  697    HA   LEU 192           HA       LEU 192  -3.365   6.216   0.467
  698   1HB   LEU 192          HB2       LEU 192  -4.751   4.303  -0.663
  699   2HB   LEU 192          HB3       LEU 192  -4.964   5.471  -1.954
  700    HG   LEU 192           HG       LEU 192  -2.291   5.617  -1.619
  701   1HD1  LEU 192          HD11      LEU 192  -3.048   2.774  -0.991
  702   2HD1  LEU 192          HD12      LEU 192  -1.420   3.355  -1.347
  703   3HD1  LEU 192          HD13      LEU 192  -2.260   3.913   0.099
  704   1HD2  LEU 192          HD21      LEU 192  -3.425   5.307  -3.738
  705   2HD2  LEU 192          HD22      LEU 192  -2.100   4.157  -3.570
  706   3HD2  LEU 192          HD23      LEU 192  -3.766   3.623  -3.333
  707    H    HIS 193           HN       HIS 193  -6.284   7.455  -1.073
  708    HA   HIS 193           HA       HIS 193  -4.956   9.387  -2.700
  709   1HB   HIS 193          HB2       HIS 193  -7.836   8.977  -1.927
  710   2HB   HIS 193          HB3       HIS 193  -7.327  10.366  -2.880
  711    HD2  HIS 193           HD2      HIS 193  -7.519   6.466  -3.212
  712    HE1  HIS 193           HE1      HIS 193  -7.088   8.202  -7.047
  713    HE2  HIS 193           HE2      HIS 193  -7.293   6.031  -5.762
  714    H    TYR 194           HN       TYR 194  -5.437   9.270   0.588
  715    HA   TYR 194           HA       TYR 194  -5.861  12.151   0.916
  716   1HB   TYR 194          HB2       TYR 194  -7.269  10.779   2.310
  717   2HB   TYR 194          HB3       TYR 194  -5.899   9.814   2.838
  718    HD1  TYR 194           HD1      TYR 194  -7.561  13.089   3.158
  719    HD2  TYR 194           HD2      TYR 194  -4.516  10.519   4.647
  720    HE1  TYR 194           HE1      TYR 194  -7.319  14.528   5.138
  721    HE2  TYR 194           HE2      TYR 194  -4.258  11.952   6.624
  722    HH   TYR 194           HH       TYR 194  -4.704  14.202   7.344
  723    H    LEU 195           HN       LEU 195  -3.636   9.528   1.647
  724    HA   LEU 195           HA       LEU 195  -1.642  10.912   2.997
  725   1HB   LEU 195          HB2       LEU 195  -1.441   8.546   1.139
  726   2HB   LEU 195          HB3       LEU 195  -0.237   9.029   2.303
  727    HG   LEU 195           HG       LEU 195  -3.020   8.130   2.990
  728   1HD1  LEU 195          HD11      LEU 195  -0.372   6.715   3.236
  729   2HD1  LEU 195          HD12      LEU 195  -1.914   6.128   3.863
  730   3HD1  LEU 195          HD13      LEU 195  -1.678   6.306   2.124
  731   1HD2  LEU 195          HD21      LEU 195  -2.173   8.086   5.295
  732   2HD2  LEU 195          HD22      LEU 195  -0.656   8.791   4.741
  733   3HD2  LEU 195          HD23      LEU 195  -2.153   9.714   4.612
  734    H    ARG 196           HN       ARG 196  -2.191  10.482  -0.473
  735    HA   ARG 196           HA       ARG 196   0.217  11.855  -1.358
  736   1HB   ARG 196          HB2       ARG 196  -1.090  11.907  -3.521
  737   2HB   ARG 196          HB3       ARG 196  -0.449  10.390  -2.938
  738   1HG   ARG 196          HG2       ARG 196  -2.659   9.755  -2.157
  739   2HG   ARG 196          HG3       ARG 196  -3.297  11.313  -2.698
  740   1HD   ARG 196          HD2       ARG 196  -1.896   9.381  -4.531
  741   2HD   ARG 196          HD3       ARG 196  -3.635   9.367  -4.273
  742    HE   ARG 196           HE       ARG 196  -3.748  11.558  -5.256
  743   1HH1  ARG 196          HH12      ARG 196  -0.671   9.907  -5.649
  744   2HH1  ARG 196          HH11      ARG 196  -0.156  10.913  -6.964
  745   1HH2  ARG 196          HH22      ARG 196  -3.067  12.878  -6.986
  746   2HH2  ARG 196          HH21      ARG 196  -1.531  12.584  -7.745
  747    H    GLU 197           HN       GLU 197  -2.509  13.096   0.083
  748    HA   GLU 197           HA       GLU 197  -2.800  15.436  -1.499
  749   1HB   GLU 197          HB2       GLU 197  -3.627  14.655   1.256
  750   2HB   GLU 197          HB3       GLU 197  -3.657  16.361   0.823
  751   1HG   GLU 197          HG2       GLU 197  -5.085  14.145  -0.632
  752   2HG   GLU 197          HG3       GLU 197  -5.825  15.312   0.467
  753    H    THR 198           HN       THR 198  -0.239  14.380   0.353
  754    HA   THR 198           HA       THR 198   0.978  17.015   0.075
  755    HB   THR 198           HB       THR 198   0.516  17.058   2.395
  756    HG1  THR 198           HG1      THR 198   3.170  16.118   1.974
  757   1HG2  THR 198          HG21      THR 198   1.037  15.243   3.950
  758   2HG2  THR 198          HG22      THR 198   1.611  14.249   2.611
  759   3HG2  THR 198          HG23      THR 198  -0.091  14.702   2.707
  760    HA   PRO 199           HA       PRO 199   3.102  13.419  -2.032
  761   1HB   PRO 199          HB2       PRO 199   4.219  15.084  -3.947
  762   2HB   PRO 199          HB3       PRO 199   2.672  14.247  -4.107
  763   1HG   PRO 199          HG2       PRO 199   3.221  17.069  -3.280
  764   2HG   PRO 199          HG3       PRO 199   1.951  16.439  -4.347
  765   1HD   PRO 199          HD2       PRO 199   1.400  17.111  -1.830
  766   2HD   PRO 199          HD3       PRO 199   0.667  15.668  -2.564
  767    H    LEU 200           HN       LEU 200   5.218  12.792  -2.066
  768    HA   LEU 200           HA       LEU 200   6.919  13.932  -0.162
  769   1HB   LEU 200          HB2       LEU 200   8.503  12.258  -0.699
  770   2HB   LEU 200          HB3       LEU 200   6.922  11.533  -0.834
  771    HG   LEU 200           HG       LEU 200   8.142  10.597  -2.580
  772   1HD1  LEU 200          HD11      LEU 200   7.217  11.443  -4.671
  773   2HD1  LEU 200          HD12      LEU 200   5.998  11.329  -3.403
  774   3HD1  LEU 200          HD13      LEU 200   6.672  12.900  -3.840
  775   1HD2  LEU 200          HD21      LEU 200   9.556  11.822  -4.145
  776   2HD2  LEU 200          HD22      LEU 200   9.213  13.323  -3.282
  777   3HD2  LEU 200          HD23      LEU 200  10.092  12.023  -2.477
  778    HA   PRO 201           HA       PRO 201   8.890  17.137  -2.495
  779   1HB   PRO 201          HB2       PRO 201  10.992  17.075  -0.462
  780   2HB   PRO 201          HB3       PRO 201   9.825  18.349  -0.820
  781   1HG   PRO 201          HG2       PRO 201   9.709  16.879   1.442
  782   2HG   PRO 201          HG3       PRO 201   8.260  17.509   0.639
  783   1HD   PRO 201          HD2       PRO 201   9.422  14.749   0.553
  784   2HD   PRO 201          HD3       PRO 201   7.722  15.251   0.692